USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 744 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 40 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.16) USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00439) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.489 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.00565 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 152:sc= 0.513 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.889 K(o=0.89,f=-0.22) USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -157:sc= 1.25 (180deg=1.17) USER MOD Single : A 51 THR OG1 : rot 160:sc= -0.076 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0288 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 30:sc= -0.412 USER MOD Single : A 77 LYS NZ :NH3+ 162:sc= 1.22 (180deg=1.04) USER MOD Single : A 84 LYS NZ :NH3+ -171:sc= 1.72 (180deg=1.61) USER MOD Single : A 85 HIS : no HD1:sc= -0.0789 K(o=-0.079,f=-0.6) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.109 K(o=-0.11,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 33 N VAL A 3 -4.548 8.888 -3.393 1.00 0.00 N ATOM 34 CA VAL A 3 -3.778 7.654 -3.420 1.00 0.00 C ATOM 35 C VAL A 3 -2.659 7.730 -4.460 1.00 0.00 C ATOM 36 O VAL A 3 -2.796 7.288 -5.601 1.00 0.00 O ATOM 37 CB VAL A 3 -4.717 6.451 -3.562 1.00 0.00 C ATOM 38 CG1 VAL A 3 -3.924 5.134 -3.545 1.00 0.00 C ATOM 39 CG2 VAL A 3 -5.748 6.408 -2.418 1.00 0.00 C ATOM 0 HA VAL A 3 -3.261 7.512 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.234 6.563 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.611 4.294 -3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.215 5.125 -4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.383 5.047 -2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.399 5.543 -2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.229 6.331 -1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.347 7.319 -2.433 1.00 0.00 H new ATOM 49 N LYS A 4 -1.527 8.291 -4.055 1.00 0.00 N ATOM 50 CA LYS A 4 -0.371 8.386 -4.928 1.00 0.00 C ATOM 51 C LYS A 4 0.140 6.976 -5.191 1.00 0.00 C ATOM 52 O LYS A 4 0.606 6.343 -4.246 1.00 0.00 O ATOM 53 CB LYS A 4 0.688 9.276 -4.257 1.00 0.00 C ATOM 54 CG LYS A 4 1.485 10.121 -5.262 1.00 0.00 C ATOM 55 CD LYS A 4 2.746 9.443 -5.808 1.00 0.00 C ATOM 56 CE LYS A 4 3.700 9.143 -4.647 1.00 0.00 C ATOM 57 NZ LYS A 4 5.074 9.625 -4.870 1.00 0.00 N ATOM 0 H LYS A 4 -1.388 8.687 -3.125 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.623 8.842 -5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.199 9.937 -3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.377 8.648 -3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.834 10.376 -6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.770 11.058 -4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.482 8.521 -6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.234 10.089 -6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.307 9.599 -3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.725 8.067 -4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.659 9.403 -4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.474 9.159 -5.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.061 10.654 -5.019 1.00 0.00 H new ATOM 71 N ILE A 5 0.080 6.512 -6.436 1.00 0.00 N ATOM 72 CA ILE A 5 0.743 5.292 -6.892 1.00 0.00 C ATOM 73 C ILE A 5 1.872 5.734 -7.829 1.00 0.00 C ATOM 74 O ILE A 5 1.744 6.736 -8.538 1.00 0.00 O ATOM 75 CB ILE A 5 -0.244 4.308 -7.582 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.506 4.064 -6.725 1.00 0.00 C ATOM 77 CG2 ILE A 5 0.455 2.969 -7.892 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.522 3.082 -7.332 1.00 0.00 C ATOM 0 H ILE A 5 -0.443 6.984 -7.174 1.00 0.00 H new ATOM 0 HA ILE A 5 1.143 4.734 -6.046 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.562 4.769 -8.517 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.198 3.688 -5.749 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.003 5.019 -6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.251 2.293 -8.375 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.301 3.145 -8.557 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.810 2.521 -6.964 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.372 2.976 -6.658 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.866 3.463 -8.294 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.049 2.111 -7.475 1.00 0.00 H new ATOM 90 N GLU A 6 2.969 4.982 -7.864 1.00 0.00 N ATOM 91 CA GLU A 6 3.998 5.077 -8.888 1.00 0.00 C ATOM 92 C GLU A 6 4.785 3.767 -8.951 1.00 0.00 C ATOM 93 O GLU A 6 4.579 2.872 -8.131 1.00 0.00 O ATOM 94 CB GLU A 6 4.915 6.277 -8.629 1.00 0.00 C ATOM 95 CG GLU A 6 5.521 6.275 -7.226 1.00 0.00 C ATOM 96 CD GLU A 6 6.567 7.371 -7.110 1.00 0.00 C ATOM 97 OE1 GLU A 6 6.190 8.565 -7.138 1.00 0.00 O ATOM 98 OE2 GLU A 6 7.768 7.044 -6.992 1.00 0.00 O ATOM 0 H GLU A 6 3.169 4.271 -7.160 1.00 0.00 H new ATOM 0 HA GLU A 6 3.525 5.239 -9.857 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.718 6.279 -9.366 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.349 7.197 -8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.738 6.428 -6.483 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.974 5.306 -7.018 1.00 0.00 H new ATOM 105 N LYS A 7 5.710 3.661 -9.909 1.00 0.00 N ATOM 106 CA LYS A 7 6.639 2.543 -10.027 1.00 0.00 C ATOM 107 C LYS A 7 8.062 3.068 -9.784 1.00 0.00 C ATOM 108 O LYS A 7 8.703 3.498 -10.749 1.00 0.00 O ATOM 109 CB LYS A 7 6.497 1.800 -11.365 1.00 0.00 C ATOM 110 CG LYS A 7 5.162 1.054 -11.544 1.00 0.00 C ATOM 111 CD LYS A 7 4.012 1.931 -12.056 1.00 0.00 C ATOM 112 CE LYS A 7 2.857 1.090 -12.618 1.00 0.00 C ATOM 113 NZ LYS A 7 3.127 0.469 -13.936 1.00 0.00 N ATOM 0 H LYS A 7 5.833 4.365 -10.636 1.00 0.00 H new ATOM 0 HA LYS A 7 6.403 1.794 -9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.609 2.517 -12.178 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.314 1.084 -11.457 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.311 0.228 -12.240 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.872 0.617 -10.588 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.643 2.557 -11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.384 2.601 -12.831 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.617 0.303 -11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.973 1.722 -12.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.279 -0.036 -14.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.375 1.208 -14.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.917 -0.202 -13.848 1.00 0.00 H new ATOM 127 N PRO A 8 8.527 3.163 -8.526 1.00 0.00 N ATOM 128 CA PRO A 8 9.842 3.691 -8.187 1.00 0.00 C ATOM 129 C PRO A 8 10.954 2.749 -8.629 1.00 0.00 C ATOM 130 O PRO A 8 10.715 1.585 -8.963 1.00 0.00 O ATOM 131 CB PRO A 8 9.843 3.848 -6.666 1.00 0.00 C ATOM 132 CG PRO A 8 8.920 2.720 -6.223 1.00 0.00 C ATOM 133 CD PRO A 8 7.872 2.661 -7.335 1.00 0.00 C ATOM 0 HA PRO A 8 10.027 4.637 -8.695 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.844 3.743 -6.247 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.469 4.824 -6.358 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.457 1.776 -6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.466 2.929 -5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.518 1.641 -7.484 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.001 3.267 -7.084 1.00 0.00 H new ATOM 141 N THR A 9 12.187 3.243 -8.601 1.00 0.00 N ATOM 142 CA THR A 9 13.330 2.449 -9.002 1.00 0.00 C ATOM 143 C THR A 9 13.785 1.597 -7.805 1.00 0.00 C ATOM 144 O THR A 9 13.637 2.013 -6.648 1.00 0.00 O ATOM 145 CB THR A 9 14.432 3.372 -9.557 1.00 0.00 C ATOM 146 OG1 THR A 9 15.114 4.068 -8.537 1.00 0.00 O ATOM 147 CG2 THR A 9 13.878 4.381 -10.564 1.00 0.00 C ATOM 0 H THR A 9 12.415 4.192 -8.303 1.00 0.00 H new ATOM 0 HA THR A 9 13.073 1.761 -9.808 1.00 0.00 H new ATOM 0 HB THR A 9 15.138 2.713 -10.062 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.804 4.639 -8.935 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.688 5.012 -10.930 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.426 3.849 -11.401 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.125 5.003 -10.080 1.00 0.00 H new ATOM 155 N PRO A 10 14.380 0.420 -8.051 1.00 0.00 N ATOM 156 CA PRO A 10 14.937 -0.410 -6.996 1.00 0.00 C ATOM 157 C PRO A 10 16.092 0.279 -6.271 1.00 0.00 C ATOM 158 O PRO A 10 16.245 0.047 -5.075 1.00 0.00 O ATOM 159 CB PRO A 10 15.358 -1.719 -7.669 1.00 0.00 C ATOM 160 CG PRO A 10 15.475 -1.373 -9.152 1.00 0.00 C ATOM 161 CD PRO A 10 14.468 -0.246 -9.335 1.00 0.00 C ATOM 0 HA PRO A 10 14.203 -0.599 -6.213 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.306 -2.082 -7.271 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.621 -2.505 -7.503 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.485 -1.055 -9.411 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.238 -2.229 -9.784 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.793 0.446 -10.112 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.497 -0.636 -9.640 1.00 0.00 H new ATOM 169 N GLU A 11 16.876 1.130 -6.947 1.00 0.00 N ATOM 170 CA GLU A 11 17.873 1.967 -6.281 1.00 0.00 C ATOM 171 C GLU A 11 17.201 2.947 -5.328 1.00 0.00 C ATOM 172 O GLU A 11 17.600 3.039 -4.173 1.00 0.00 O ATOM 173 CB GLU A 11 18.728 2.744 -7.290 1.00 0.00 C ATOM 174 CG GLU A 11 19.827 1.866 -7.893 1.00 0.00 C ATOM 175 CD GLU A 11 20.903 2.728 -8.558 1.00 0.00 C ATOM 176 OE1 GLU A 11 20.769 3.049 -9.765 1.00 0.00 O ATOM 177 OE2 GLU A 11 21.865 3.111 -7.865 1.00 0.00 O ATOM 0 H GLU A 11 16.835 1.254 -7.959 1.00 0.00 H new ATOM 0 HA GLU A 11 18.526 1.300 -5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.091 3.129 -8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.179 3.606 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.277 1.251 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.394 1.185 -8.626 1.00 0.00 H new ATOM 184 N LYS A 12 16.167 3.669 -5.771 1.00 0.00 N ATOM 185 CA LYS A 12 15.513 4.652 -4.907 1.00 0.00 C ATOM 186 C LYS A 12 14.991 3.999 -3.635 1.00 0.00 C ATOM 187 O LYS A 12 15.082 4.573 -2.552 1.00 0.00 O ATOM 188 CB LYS A 12 14.387 5.389 -5.652 1.00 0.00 C ATOM 189 CG LYS A 12 13.796 6.564 -4.853 1.00 0.00 C ATOM 190 CD LYS A 12 14.913 7.543 -4.470 1.00 0.00 C ATOM 191 CE LYS A 12 14.461 8.908 -3.963 1.00 0.00 C ATOM 192 NZ LYS A 12 13.862 9.752 -5.010 1.00 0.00 N ATOM 0 H LYS A 12 15.771 3.593 -6.708 1.00 0.00 H new ATOM 0 HA LYS A 12 16.261 5.392 -4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.772 5.761 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.592 4.681 -5.886 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.039 7.076 -5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.301 6.193 -3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.529 7.077 -3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.551 7.694 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.736 8.768 -3.161 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.316 9.429 -3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.577 10.664 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.558 9.915 -5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.027 9.274 -5.406 1.00 0.00 H new ATOM 206 N LEU A 13 14.468 2.783 -3.745 1.00 0.00 N ATOM 207 CA LEU A 13 13.992 2.042 -2.590 1.00 0.00 C ATOM 208 C LEU A 13 15.120 1.720 -1.598 1.00 0.00 C ATOM 209 O LEU A 13 14.847 1.601 -0.400 1.00 0.00 O ATOM 210 CB LEU A 13 13.293 0.764 -3.062 1.00 0.00 C ATOM 211 CG LEU A 13 11.926 1.027 -3.735 1.00 0.00 C ATOM 212 CD1 LEU A 13 11.475 -0.207 -4.515 1.00 0.00 C ATOM 213 CD2 LEU A 13 10.832 1.387 -2.722 1.00 0.00 C ATOM 0 H LEU A 13 14.364 2.289 -4.631 1.00 0.00 H new ATOM 0 HA LEU A 13 13.281 2.669 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.942 0.242 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.149 0.101 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 13 12.068 1.876 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.511 -0.009 -4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.212 -0.441 -5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.380 -1.053 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.893 1.562 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.706 0.566 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.119 2.289 -2.182 1.00 0.00 H new ATOM 225 N LYS A 14 16.380 1.612 -2.038 1.00 0.00 N ATOM 226 CA LYS A 14 17.520 1.503 -1.125 1.00 0.00 C ATOM 227 C LYS A 14 17.693 2.791 -0.345 1.00 0.00 C ATOM 228 O LYS A 14 17.918 2.722 0.861 1.00 0.00 O ATOM 229 CB LYS A 14 18.835 1.195 -1.862 1.00 0.00 C ATOM 230 CG LYS A 14 18.809 -0.074 -2.716 1.00 0.00 C ATOM 231 CD LYS A 14 18.353 -1.330 -1.963 1.00 0.00 C ATOM 232 CE LYS A 14 19.302 -1.619 -0.795 1.00 0.00 C ATOM 233 NZ LYS A 14 19.206 -3.005 -0.297 1.00 0.00 N ATOM 0 H LYS A 14 16.634 1.598 -3.026 1.00 0.00 H new ATOM 0 HA LYS A 14 17.302 0.674 -0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 14 19.084 2.042 -2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.635 1.105 -1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 14 18.146 0.087 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.807 -0.248 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 14 17.338 -1.192 -1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.330 -2.182 -2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 14 20.327 -1.424 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 14 19.083 -0.931 0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 19.871 -3.138 0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.237 -3.189 0.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.442 -3.667 -1.064 1.00 0.00 H new ATOM 247 N GLU A 15 17.576 3.939 -1.010 1.00 0.00 N ATOM 248 CA GLU A 15 17.832 5.241 -0.389 1.00 0.00 C ATOM 249 C GLU A 15 16.861 5.453 0.761 1.00 0.00 C ATOM 250 O GLU A 15 17.235 5.836 1.869 1.00 0.00 O ATOM 251 CB GLU A 15 17.625 6.395 -1.376 1.00 0.00 C ATOM 252 CG GLU A 15 18.579 6.365 -2.563 1.00 0.00 C ATOM 253 CD GLU A 15 18.810 7.789 -3.068 1.00 0.00 C ATOM 254 OE1 GLU A 15 17.998 8.284 -3.886 1.00 0.00 O ATOM 255 OE2 GLU A 15 19.731 8.465 -2.551 1.00 0.00 O ATOM 0 H GLU A 15 17.302 3.995 -1.991 1.00 0.00 H new ATOM 0 HA GLU A 15 18.868 5.237 -0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.600 6.366 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.747 7.340 -0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.527 5.914 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.165 5.748 -3.360 1.00 0.00 H new ATOM 262 N LEU A 16 15.595 5.174 0.465 1.00 0.00 N ATOM 263 CA LEU A 16 14.463 5.260 1.375 1.00 0.00 C ATOM 264 C LEU A 16 14.555 4.254 2.530 1.00 0.00 C ATOM 265 O LEU A 16 13.724 4.289 3.436 1.00 0.00 O ATOM 266 CB LEU A 16 13.176 5.055 0.560 1.00 0.00 C ATOM 267 CG LEU A 16 12.895 6.145 -0.493 1.00 0.00 C ATOM 268 CD1 LEU A 16 11.595 5.816 -1.238 1.00 0.00 C ATOM 269 CD2 LEU A 16 12.808 7.540 0.122 1.00 0.00 C ATOM 0 H LEU A 16 15.319 4.865 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 16 14.462 6.245 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.232 4.090 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.331 5.008 1.247 1.00 0.00 H new ATOM 0 HG LEU A 16 13.733 6.154 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.397 6.587 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.694 4.850 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.769 5.776 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.609 8.271 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.002 7.565 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.751 7.781 0.612 1.00 0.00 H new ATOM 281 N SER A 17 15.568 3.384 2.532 1.00 0.00 N ATOM 282 CA SER A 17 15.855 2.425 3.586 1.00 0.00 C ATOM 283 C SER A 17 14.666 1.503 3.859 1.00 0.00 C ATOM 284 O SER A 17 14.458 1.123 5.005 1.00 0.00 O ATOM 285 CB SER A 17 16.360 3.129 4.864 1.00 0.00 C ATOM 286 OG SER A 17 16.825 4.461 4.668 1.00 0.00 O ATOM 0 H SER A 17 16.236 3.332 1.763 1.00 0.00 H new ATOM 0 HA SER A 17 16.664 1.785 3.235 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.553 3.145 5.596 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.168 2.536 5.293 1.00 0.00 H new ATOM 0 HG SER A 17 17.124 4.832 5.524 1.00 0.00 H new ATOM 292 N VAL A 18 13.868 1.152 2.847 1.00 0.00 N ATOM 293 CA VAL A 18 12.663 0.333 2.998 1.00 0.00 C ATOM 294 C VAL A 18 12.974 -1.019 3.661 1.00 0.00 C ATOM 295 O VAL A 18 12.117 -1.605 4.317 1.00 0.00 O ATOM 296 CB VAL A 18 11.939 0.196 1.644 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.589 -0.509 1.777 1.00 0.00 C ATOM 298 CG2 VAL A 18 11.674 1.567 1.003 1.00 0.00 C ATOM 0 H VAL A 18 14.045 1.434 1.883 1.00 0.00 H new ATOM 0 HA VAL A 18 11.977 0.838 3.678 1.00 0.00 H new ATOM 0 HB VAL A 18 12.607 -0.397 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.118 -0.581 0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.739 -1.510 2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.946 0.061 2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.162 1.430 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.050 2.165 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.621 2.080 0.836 1.00 0.00 H new ATOM 308 N GLU A 19 14.215 -1.501 3.588 1.00 0.00 N ATOM 309 CA GLU A 19 14.700 -2.628 4.382 1.00 0.00 C ATOM 310 C GLU A 19 14.488 -2.462 5.897 1.00 0.00 C ATOM 311 O GLU A 19 14.333 -3.454 6.610 1.00 0.00 O ATOM 312 CB GLU A 19 16.192 -2.842 4.098 1.00 0.00 C ATOM 313 CG GLU A 19 17.036 -1.572 4.332 1.00 0.00 C ATOM 314 CD GLU A 19 18.463 -1.838 4.790 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.693 -2.773 5.588 1.00 0.00 O ATOM 316 OE2 GLU A 19 19.355 -1.047 4.412 1.00 0.00 O ATOM 0 H GLU A 19 14.923 -1.112 2.965 1.00 0.00 H new ATOM 0 HA GLU A 19 14.111 -3.494 4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.567 -3.643 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.317 -3.170 3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.066 -0.996 3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.538 -0.952 5.078 1.00 0.00 H new ATOM 323 N LYS A 20 14.493 -1.229 6.413 1.00 0.00 N ATOM 324 CA LYS A 20 14.514 -0.959 7.847 1.00 0.00 C ATOM 325 C LYS A 20 13.095 -0.992 8.413 1.00 0.00 C ATOM 326 O LYS A 20 12.917 -1.175 9.612 1.00 0.00 O ATOM 327 CB LYS A 20 15.349 0.287 8.176 1.00 0.00 C ATOM 328 CG LYS A 20 14.611 1.577 8.374 1.00 0.00 C ATOM 329 CD LYS A 20 15.460 2.656 9.058 1.00 0.00 C ATOM 330 CE LYS A 20 16.526 3.214 8.106 1.00 0.00 C ATOM 331 NZ LYS A 20 17.754 3.636 8.798 1.00 0.00 N ATOM 0 H LYS A 20 14.482 -0.386 5.839 1.00 0.00 H new ATOM 0 HA LYS A 20 15.040 -1.756 8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.918 0.082 9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.071 0.431 7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.273 1.948 7.406 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.719 1.391 8.973 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.816 3.466 9.400 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.942 2.237 9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.776 2.455 7.365 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.111 4.064 7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.435 4.003 8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.526 4.381 9.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.170 2.822 9.294 1.00 0.00 H new ATOM 345 N TRP A 21 12.113 -0.806 7.534 1.00 0.00 N ATOM 346 CA TRP A 21 10.752 -0.441 7.867 1.00 0.00 C ATOM 347 C TRP A 21 10.048 -1.639 8.512 1.00 0.00 C ATOM 348 O TRP A 21 10.513 -2.774 8.350 1.00 0.00 O ATOM 349 CB TRP A 21 10.059 -0.017 6.567 1.00 0.00 C ATOM 350 CG TRP A 21 10.572 1.231 5.910 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.756 1.840 6.153 1.00 0.00 C ATOM 352 CD2 TRP A 21 9.943 2.012 4.853 1.00 0.00 C ATOM 353 NE1 TRP A 21 11.887 2.947 5.347 1.00 0.00 N ATOM 354 CE2 TRP A 21 10.791 3.110 4.529 1.00 0.00 C ATOM 355 CE3 TRP A 21 8.743 1.888 4.122 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.454 4.048 3.543 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.388 2.829 3.139 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.240 3.911 2.851 1.00 0.00 C ATOM 0 H TRP A 21 12.258 -0.912 6.530 1.00 0.00 H new ATOM 0 HA TRP A 21 10.721 0.382 8.581 1.00 0.00 H new ATOM 0 HB2 TRP A 21 10.142 -0.837 5.853 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.998 0.119 6.775 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.489 1.506 6.873 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.695 3.569 5.354 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.085 1.055 4.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.121 4.867 3.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.457 2.721 2.603 1.00 0.00 H new ATOM 0 HH2 TRP A 21 8.961 4.635 2.099 1.00 0.00 H new ATOM 369 N PRO A 22 8.909 -1.457 9.193 1.00 0.00 N ATOM 370 CA PRO A 22 8.130 -2.587 9.672 1.00 0.00 C ATOM 371 C PRO A 22 7.538 -3.368 8.487 1.00 0.00 C ATOM 372 O PRO A 22 6.972 -2.800 7.547 1.00 0.00 O ATOM 373 CB PRO A 22 7.082 -1.979 10.605 1.00 0.00 C ATOM 374 CG PRO A 22 6.896 -0.558 10.065 1.00 0.00 C ATOM 375 CD PRO A 22 8.290 -0.192 9.567 1.00 0.00 C ATOM 0 HA PRO A 22 8.721 -3.325 10.214 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.149 -2.542 10.580 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.423 -1.973 11.640 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.160 -0.525 9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.553 0.126 10.841 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.238 0.487 8.716 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.865 0.313 10.343 1.00 0.00 H new ATOM 383 N ILE A 23 7.668 -4.697 8.519 1.00 0.00 N ATOM 384 CA ILE A 23 6.923 -5.567 7.611 1.00 0.00 C ATOM 385 C ILE A 23 5.463 -5.513 8.043 1.00 0.00 C ATOM 386 O ILE A 23 5.151 -5.461 9.238 1.00 0.00 O ATOM 387 CB ILE A 23 7.493 -7.011 7.622 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.840 -6.997 6.863 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.538 -8.064 6.997 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.662 -8.275 7.022 1.00 0.00 C ATOM 0 H ILE A 23 8.283 -5.192 9.165 1.00 0.00 H new ATOM 0 HA ILE A 23 7.015 -5.228 6.579 1.00 0.00 H new ATOM 0 HB ILE A 23 7.621 -7.312 8.662 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.645 -6.833 5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.432 -6.151 7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.004 -9.049 7.040 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.601 -8.081 7.554 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.338 -7.802 5.958 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.591 -8.183 6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.891 -8.432 8.076 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.092 -9.124 6.645 1.00 0.00 H new ATOM 402 N TRP A 24 4.563 -5.591 7.069 1.00 0.00 N ATOM 403 CA TRP A 24 3.176 -5.907 7.304 1.00 0.00 C ATOM 404 C TRP A 24 2.710 -6.853 6.205 1.00 0.00 C ATOM 405 O TRP A 24 3.070 -6.721 5.030 1.00 0.00 O ATOM 406 CB TRP A 24 2.380 -4.608 7.375 1.00 0.00 C ATOM 407 CG TRP A 24 0.913 -4.748 7.551 1.00 0.00 C ATOM 408 CD1 TRP A 24 0.283 -4.825 8.741 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.120 -4.883 6.535 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.067 -4.976 8.531 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.383 -4.913 7.191 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.117 -4.995 5.127 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.587 -4.929 6.477 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.320 -5.084 4.406 1.00 0.00 C ATOM 415 CH2 TRP A 24 -2.547 -5.005 5.076 1.00 0.00 C ATOM 0 H TRP A 24 4.788 -5.433 6.087 1.00 0.00 H new ATOM 0 HA TRP A 24 3.024 -6.417 8.255 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.769 -4.012 8.201 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.563 -4.043 6.461 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.764 -4.776 9.707 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.750 -5.117 9.275 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.824 -5.012 4.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.533 -4.884 6.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.298 -5.213 3.334 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.468 -5.003 4.512 1.00 0.00 H new ATOM 426 N GLU A 25 1.895 -7.809 6.610 1.00 0.00 N ATOM 427 CA GLU A 25 1.189 -8.758 5.778 1.00 0.00 C ATOM 428 C GLU A 25 -0.282 -8.727 6.173 1.00 0.00 C ATOM 429 O GLU A 25 -0.656 -8.207 7.230 1.00 0.00 O ATOM 430 CB GLU A 25 1.769 -10.176 5.926 1.00 0.00 C ATOM 431 CG GLU A 25 2.250 -10.556 7.336 1.00 0.00 C ATOM 432 CD GLU A 25 2.226 -12.064 7.623 1.00 0.00 C ATOM 433 OE1 GLU A 25 2.127 -12.888 6.677 1.00 0.00 O ATOM 434 OE2 GLU A 25 2.498 -12.432 8.791 1.00 0.00 O ATOM 0 H GLU A 25 1.697 -7.950 7.601 1.00 0.00 H new ATOM 0 HA GLU A 25 1.302 -8.482 4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.009 -10.894 5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.606 -10.280 5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.267 -10.187 7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.625 -10.048 8.070 1.00 0.00 H new ATOM 441 N LYS A 26 -1.108 -9.304 5.304 1.00 0.00 N ATOM 442 CA LYS A 26 -2.497 -9.623 5.566 1.00 0.00 C ATOM 443 C LYS A 26 -2.841 -10.840 4.744 1.00 0.00 C ATOM 444 O LYS A 26 -2.193 -11.091 3.723 1.00 0.00 O ATOM 445 CB LYS A 26 -3.396 -8.439 5.197 1.00 0.00 C ATOM 446 CG LYS A 26 -4.034 -7.852 6.451 1.00 0.00 C ATOM 447 CD LYS A 26 -5.196 -8.669 6.984 1.00 0.00 C ATOM 448 CE LYS A 26 -5.837 -7.871 8.122 1.00 0.00 C ATOM 449 NZ LYS A 26 -7.000 -8.574 8.681 1.00 0.00 N ATOM 0 H LYS A 26 -0.811 -9.570 4.365 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.654 -9.827 6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.811 -7.674 4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.172 -8.764 4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.275 -7.767 7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.381 -6.842 6.233 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.923 -8.862 6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.850 -9.638 7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.101 -7.700 8.908 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.144 -6.892 7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.412 -8.007 9.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.711 -8.715 7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.701 -9.498 9.054 1.00 0.00 H new ATOM 463 N GLU A 27 -3.890 -11.544 5.148 1.00 0.00 N ATOM 464 CA GLU A 27 -4.432 -12.633 4.387 1.00 0.00 C ATOM 465 C GLU A 27 -5.401 -12.135 3.332 1.00 0.00 C ATOM 466 O GLU A 27 -5.724 -10.951 3.282 1.00 0.00 O ATOM 467 CB GLU A 27 -5.040 -13.647 5.354 1.00 0.00 C ATOM 468 CG GLU A 27 -4.919 -15.060 4.814 1.00 0.00 C ATOM 469 CD GLU A 27 -4.824 -16.145 5.885 1.00 0.00 C ATOM 470 OE1 GLU A 27 -3.938 -16.041 6.766 1.00 0.00 O ATOM 471 OE2 GLU A 27 -5.600 -17.120 5.793 1.00 0.00 O ATOM 0 H GLU A 27 -4.384 -11.364 6.022 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.645 -13.139 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.538 -13.579 6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.090 -13.408 5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.781 -15.268 4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.035 -15.117 4.178 1.00 0.00 H new ATOM 478 N VAL A 28 -5.874 -13.081 2.529 1.00 0.00 N ATOM 479 CA VAL A 28 -6.799 -12.956 1.389 1.00 0.00 C ATOM 480 C VAL A 28 -8.220 -12.521 1.807 1.00 0.00 C ATOM 481 O VAL A 28 -9.195 -12.627 1.062 1.00 0.00 O ATOM 482 CB VAL A 28 -6.741 -14.290 0.611 1.00 0.00 C ATOM 483 CG1 VAL A 28 -7.252 -15.498 1.412 1.00 0.00 C ATOM 484 CG2 VAL A 28 -7.438 -14.253 -0.753 1.00 0.00 C ATOM 0 H VAL A 28 -5.597 -14.053 2.666 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.488 -12.145 0.730 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.673 -14.421 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.180 -16.397 0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.647 -15.621 2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.292 -15.334 1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.351 -15.228 -1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.491 -14.008 -0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.968 -13.496 -1.381 1.00 0.00 H new ATOM 494 N SER A 29 -8.366 -12.099 3.052 1.00 0.00 N ATOM 495 CA SER A 29 -9.572 -11.613 3.660 1.00 0.00 C ATOM 496 C SER A 29 -9.650 -10.105 3.480 1.00 0.00 C ATOM 497 O SER A 29 -8.682 -9.376 3.718 1.00 0.00 O ATOM 498 CB SER A 29 -9.535 -12.020 5.129 1.00 0.00 C ATOM 499 OG SER A 29 -8.220 -12.173 5.656 1.00 0.00 O ATOM 0 H SER A 29 -7.581 -12.091 3.703 1.00 0.00 H new ATOM 0 HA SER A 29 -10.464 -12.036 3.198 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.066 -11.271 5.716 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.075 -12.959 5.249 1.00 0.00 H new ATOM 0 HG SER A 29 -8.274 -12.432 6.600 1.00 0.00 H new ATOM 505 N GLU A 30 -10.820 -9.634 3.085 1.00 0.00 N ATOM 506 CA GLU A 30 -11.101 -8.222 2.919 1.00 0.00 C ATOM 507 C GLU A 30 -11.216 -7.544 4.277 1.00 0.00 C ATOM 508 O GLU A 30 -11.303 -8.190 5.322 1.00 0.00 O ATOM 509 CB GLU A 30 -12.401 -8.001 2.134 1.00 0.00 C ATOM 510 CG GLU A 30 -12.493 -8.815 0.843 1.00 0.00 C ATOM 511 CD GLU A 30 -13.337 -10.082 0.989 1.00 0.00 C ATOM 512 OE1 GLU A 30 -13.229 -10.769 2.029 1.00 0.00 O ATOM 513 OE2 GLU A 30 -14.100 -10.358 0.034 1.00 0.00 O ATOM 0 H GLU A 30 -11.615 -10.235 2.867 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.275 -7.786 2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.247 -8.255 2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.491 -6.942 1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.919 -8.191 0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.488 -9.090 0.522 1.00 0.00 H new ATOM 520 N PHE A 31 -11.226 -6.219 4.252 1.00 0.00 N ATOM 521 CA PHE A 31 -11.533 -5.339 5.367 1.00 0.00 C ATOM 522 C PHE A 31 -11.756 -3.960 4.747 1.00 0.00 C ATOM 523 O PHE A 31 -11.846 -3.798 3.523 1.00 0.00 O ATOM 524 CB PHE A 31 -10.418 -5.361 6.437 1.00 0.00 C ATOM 525 CG PHE A 31 -9.002 -5.361 5.900 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.399 -6.582 5.543 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.295 -4.154 5.736 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.114 -6.593 4.986 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.010 -4.166 5.165 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.435 -5.385 4.765 1.00 0.00 C ATOM 0 H PHE A 31 -11.007 -5.700 3.402 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.422 -5.658 5.910 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.543 -4.493 7.085 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.552 -6.246 7.059 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.928 -7.511 5.699 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.739 -3.220 6.048 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.646 -7.531 4.727 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.467 -3.242 5.034 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.467 -5.392 4.286 1.00 0.00 H new ATOM 540 N ASP A 32 -11.898 -2.928 5.560 1.00 0.00 N ATOM 541 CA ASP A 32 -11.642 -1.560 5.162 1.00 0.00 C ATOM 542 C ASP A 32 -10.607 -1.010 6.117 1.00 0.00 C ATOM 543 O ASP A 32 -10.551 -1.437 7.273 1.00 0.00 O ATOM 544 CB ASP A 32 -12.925 -0.729 5.122 1.00 0.00 C ATOM 545 CG ASP A 32 -13.776 -0.780 6.382 1.00 0.00 C ATOM 546 OD1 ASP A 32 -13.455 -0.106 7.378 1.00 0.00 O ATOM 547 OD2 ASP A 32 -14.805 -1.499 6.322 1.00 0.00 O ATOM 0 H ASP A 32 -12.199 -3.021 6.530 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.258 -1.516 4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.659 0.310 4.926 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.531 -1.067 4.281 1.00 0.00 H new ATOM 552 N TRP A 33 -9.751 -0.126 5.610 1.00 0.00 N ATOM 553 CA TRP A 33 -8.812 0.603 6.450 1.00 0.00 C ATOM 554 C TRP A 33 -9.130 2.094 6.432 1.00 0.00 C ATOM 555 O TRP A 33 -9.635 2.628 5.434 1.00 0.00 O ATOM 556 CB TRP A 33 -7.366 0.332 6.012 1.00 0.00 C ATOM 557 CG TRP A 33 -6.377 0.436 7.132 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.547 1.475 7.372 1.00 0.00 C ATOM 559 CD2 TRP A 33 -6.148 -0.513 8.218 1.00 0.00 C ATOM 560 NE1 TRP A 33 -4.781 1.206 8.488 1.00 0.00 N ATOM 561 CE2 TRP A 33 -5.098 -0.013 9.041 1.00 0.00 C ATOM 562 CE3 TRP A 33 -6.737 -1.736 8.602 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -4.615 -0.714 10.155 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -6.288 -2.434 9.739 1.00 0.00 C ATOM 565 CH2 TRP A 33 -5.217 -1.934 10.503 1.00 0.00 C ATOM 0 H TRP A 33 -9.691 0.101 4.618 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.916 0.250 7.476 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.307 -0.665 5.576 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.093 1.039 5.229 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.492 2.377 6.781 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -4.067 1.834 8.857 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.546 -2.144 8.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.793 -0.322 10.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -6.768 -3.358 10.026 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.858 -2.489 11.357 1.00 0.00 H new ATOM 576 N TYR A 34 -8.748 2.769 7.513 1.00 0.00 N ATOM 577 CA TYR A 34 -8.764 4.212 7.651 1.00 0.00 C ATOM 578 C TYR A 34 -7.335 4.617 7.999 1.00 0.00 C ATOM 579 O TYR A 34 -6.870 4.364 9.111 1.00 0.00 O ATOM 580 CB TYR A 34 -9.814 4.654 8.686 1.00 0.00 C ATOM 581 CG TYR A 34 -10.098 6.150 8.708 1.00 0.00 C ATOM 582 CD1 TYR A 34 -9.087 7.071 9.042 1.00 0.00 C ATOM 583 CD2 TYR A 34 -11.390 6.627 8.413 1.00 0.00 C ATOM 584 CE1 TYR A 34 -9.349 8.452 9.057 1.00 0.00 C ATOM 585 CE2 TYR A 34 -11.660 8.007 8.426 1.00 0.00 C ATOM 586 CZ TYR A 34 -10.640 8.928 8.746 1.00 0.00 C ATOM 587 OH TYR A 34 -10.914 10.260 8.783 1.00 0.00 O ATOM 0 H TYR A 34 -8.405 2.299 8.350 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.067 4.716 6.733 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.746 4.124 8.487 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.479 4.347 9.677 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.099 6.712 9.290 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.178 5.928 8.175 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.562 9.148 9.307 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.652 8.363 8.190 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.852 10.408 8.539 1.00 0.00 H new ATOM 597 N TYR A 35 -6.616 5.186 7.035 1.00 0.00 N ATOM 598 CA TYR A 35 -5.282 5.739 7.222 1.00 0.00 C ATOM 599 C TYR A 35 -5.459 7.100 7.875 1.00 0.00 C ATOM 600 O TYR A 35 -5.900 8.027 7.200 1.00 0.00 O ATOM 601 CB TYR A 35 -4.564 5.870 5.868 1.00 0.00 C ATOM 602 CG TYR A 35 -4.367 4.527 5.204 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.369 3.664 5.688 1.00 0.00 C ATOM 604 CD2 TYR A 35 -5.245 4.099 4.190 1.00 0.00 C ATOM 605 CE1 TYR A 35 -3.268 2.356 5.193 1.00 0.00 C ATOM 606 CE2 TYR A 35 -5.137 2.795 3.677 1.00 0.00 C ATOM 607 CZ TYR A 35 -4.160 1.915 4.193 1.00 0.00 C ATOM 608 OH TYR A 35 -4.098 0.637 3.742 1.00 0.00 O ATOM 0 H TYR A 35 -6.956 5.276 6.078 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.670 5.089 7.848 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.143 6.519 5.211 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.596 6.348 6.015 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.678 4.009 6.443 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.999 4.771 3.808 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.510 1.689 5.576 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.800 2.466 2.890 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.983 0.357 3.429 1.00 0.00 H new ATOM 618 N ASP A 36 -5.179 7.236 9.173 1.00 0.00 N ATOM 619 CA ASP A 36 -5.335 8.498 9.902 1.00 0.00 C ATOM 620 C ASP A 36 -4.013 9.200 10.206 1.00 0.00 C ATOM 621 O ASP A 36 -4.022 10.186 10.940 1.00 0.00 O ATOM 622 CB ASP A 36 -6.199 8.356 11.155 1.00 0.00 C ATOM 623 CG ASP A 36 -5.478 7.784 12.366 1.00 0.00 C ATOM 624 OD1 ASP A 36 -5.532 6.554 12.566 1.00 0.00 O ATOM 625 OD2 ASP A 36 -5.016 8.590 13.205 1.00 0.00 O ATOM 0 H ASP A 36 -4.836 6.470 9.752 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.872 9.151 9.214 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.598 9.336 11.417 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.051 7.717 10.921 1.00 0.00 H new ATOM 630 N THR A 37 -2.918 8.745 9.595 1.00 0.00 N ATOM 631 CA THR A 37 -1.648 9.437 9.335 1.00 0.00 C ATOM 632 C THR A 37 -1.092 8.911 8.001 1.00 0.00 C ATOM 633 O THR A 37 -1.636 7.952 7.446 1.00 0.00 O ATOM 634 CB THR A 37 -0.666 9.291 10.518 1.00 0.00 C ATOM 635 OG1 THR A 37 -0.905 8.144 11.324 1.00 0.00 O ATOM 636 CG2 THR A 37 -0.770 10.554 11.382 1.00 0.00 C ATOM 0 H THR A 37 -2.893 7.791 9.234 1.00 0.00 H new ATOM 0 HA THR A 37 -1.806 10.512 9.246 1.00 0.00 H new ATOM 0 HB THR A 37 0.333 9.163 10.101 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.248 8.112 12.051 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.085 10.475 12.226 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.509 11.427 10.783 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.790 10.659 11.752 1.00 0.00 H new ATOM 644 N ASN A 38 -0.067 9.585 7.466 1.00 0.00 N ATOM 645 CA ASN A 38 0.602 9.253 6.209 1.00 0.00 C ATOM 646 C ASN A 38 1.139 7.834 6.329 1.00 0.00 C ATOM 647 O ASN A 38 1.733 7.481 7.349 1.00 0.00 O ATOM 648 CB ASN A 38 1.784 10.196 5.970 1.00 0.00 C ATOM 649 CG ASN A 38 1.502 11.670 6.204 1.00 0.00 C ATOM 650 OD1 ASN A 38 0.874 12.324 5.369 1.00 0.00 O ATOM 651 ND2 ASN A 38 1.944 12.204 7.329 1.00 0.00 N ATOM 0 H ASN A 38 0.332 10.408 7.917 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.103 9.347 5.383 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.605 9.893 6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.127 10.068 4.943 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.769 13.189 7.530 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.460 11.632 7.997 1.00 0.00 H new ATOM 658 N GLU A 39 0.990 7.038 5.275 1.00 0.00 N ATOM 659 CA GLU A 39 1.543 5.697 5.223 1.00 0.00 C ATOM 660 C GLU A 39 2.048 5.465 3.809 1.00 0.00 C ATOM 661 O GLU A 39 1.260 5.468 2.860 1.00 0.00 O ATOM 662 CB GLU A 39 0.491 4.672 5.664 1.00 0.00 C ATOM 663 CG GLU A 39 1.097 3.261 5.730 1.00 0.00 C ATOM 664 CD GLU A 39 0.126 2.252 6.340 1.00 0.00 C ATOM 665 OE1 GLU A 39 -0.429 2.534 7.426 1.00 0.00 O ATOM 666 OE2 GLU A 39 -0.060 1.161 5.747 1.00 0.00 O ATOM 0 H GLU A 39 0.481 7.309 4.434 1.00 0.00 H new ATOM 0 HA GLU A 39 2.378 5.580 5.914 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.095 4.948 6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.346 4.681 4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.374 2.938 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.013 3.286 6.321 1.00 0.00 H new ATOM 673 N THR A 40 3.360 5.318 3.646 1.00 0.00 N ATOM 674 CA THR A 40 3.920 4.738 2.432 1.00 0.00 C ATOM 675 C THR A 40 3.777 3.216 2.557 1.00 0.00 C ATOM 676 O THR A 40 3.894 2.691 3.668 1.00 0.00 O ATOM 677 CB THR A 40 5.392 5.180 2.285 1.00 0.00 C ATOM 678 OG1 THR A 40 5.468 6.591 2.191 1.00 0.00 O ATOM 679 CG2 THR A 40 6.036 4.647 1.003 1.00 0.00 C ATOM 0 H THR A 40 4.054 5.593 4.341 1.00 0.00 H new ATOM 0 HA THR A 40 3.399 5.075 1.536 1.00 0.00 H new ATOM 0 HB THR A 40 5.910 4.788 3.160 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.405 6.863 2.100 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.070 4.986 0.947 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.011 3.557 1.009 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.486 5.018 0.138 1.00 0.00 H new ATOM 687 N CYS A 41 3.609 2.484 1.450 1.00 0.00 N ATOM 688 CA CYS A 41 3.945 1.068 1.437 1.00 0.00 C ATOM 689 C CYS A 41 4.493 0.642 0.079 1.00 0.00 C ATOM 690 O CYS A 41 3.950 1.030 -0.957 1.00 0.00 O ATOM 691 CB CYS A 41 2.751 0.207 1.874 1.00 0.00 C ATOM 692 SG CYS A 41 1.313 0.396 0.782 1.00 0.00 S ATOM 0 H CYS A 41 3.248 2.847 0.568 1.00 0.00 H new ATOM 0 HA CYS A 41 4.738 0.906 2.167 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.052 -0.841 1.894 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.467 0.476 2.891 1.00 0.00 H new ATOM 0 HG CYS A 41 0.344 -0.359 1.207 1.00 0.00 H new ATOM 698 N TYR A 42 5.545 -0.178 0.104 1.00 0.00 N ATOM 699 CA TYR A 42 6.165 -0.809 -1.054 1.00 0.00 C ATOM 700 C TYR A 42 5.673 -2.253 -1.121 1.00 0.00 C ATOM 701 O TYR A 42 5.978 -3.048 -0.229 1.00 0.00 O ATOM 702 CB TYR A 42 7.697 -0.742 -0.929 1.00 0.00 C ATOM 703 CG TYR A 42 8.457 -1.561 -1.959 1.00 0.00 C ATOM 704 CD1 TYR A 42 8.076 -1.540 -3.316 1.00 0.00 C ATOM 705 CD2 TYR A 42 9.530 -2.380 -1.551 1.00 0.00 C ATOM 706 CE1 TYR A 42 8.688 -2.420 -4.223 1.00 0.00 C ATOM 707 CE2 TYR A 42 10.216 -3.176 -2.486 1.00 0.00 C ATOM 708 CZ TYR A 42 9.758 -3.240 -3.817 1.00 0.00 C ATOM 709 OH TYR A 42 10.316 -4.104 -4.708 1.00 0.00 O ATOM 0 H TYR A 42 6.008 -0.430 0.977 1.00 0.00 H new ATOM 0 HA TYR A 42 5.891 -0.291 -1.973 1.00 0.00 H new ATOM 0 HB2 TYR A 42 8.009 0.299 -1.011 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.981 -1.082 0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.317 -0.851 -3.656 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.827 -2.396 -0.513 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.334 -2.468 -5.242 1.00 0.00 H new ATOM 0 HE2 TYR A 42 11.089 -3.735 -2.185 1.00 0.00 H new ATOM 0 HH TYR A 42 11.043 -4.597 -4.274 1.00 0.00 H new ATOM 719 N ILE A 43 4.867 -2.572 -2.135 1.00 0.00 N ATOM 720 CA ILE A 43 4.353 -3.912 -2.377 1.00 0.00 C ATOM 721 C ILE A 43 5.480 -4.774 -2.963 1.00 0.00 C ATOM 722 O ILE A 43 6.003 -4.463 -4.041 1.00 0.00 O ATOM 723 CB ILE A 43 3.133 -3.849 -3.321 1.00 0.00 C ATOM 724 CG1 ILE A 43 2.045 -2.793 -2.991 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.493 -5.241 -3.432 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.286 -2.967 -1.671 1.00 0.00 C ATOM 0 H ILE A 43 4.549 -1.889 -2.822 1.00 0.00 H new ATOM 0 HA ILE A 43 4.018 -4.364 -1.443 1.00 0.00 H new ATOM 0 HB ILE A 43 3.547 -3.512 -4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.517 -1.811 -2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.317 -2.791 -3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.632 -5.194 -4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.222 -5.946 -3.831 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.170 -5.573 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.556 -2.165 -1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.771 -3.928 -1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.990 -2.932 -0.839 1.00 0.00 H new ATOM 738 N LEU A 44 5.835 -5.870 -2.281 1.00 0.00 N ATOM 739 CA LEU A 44 6.842 -6.818 -2.767 1.00 0.00 C ATOM 740 C LEU A 44 6.206 -8.071 -3.363 1.00 0.00 C ATOM 741 O LEU A 44 6.832 -8.709 -4.207 1.00 0.00 O ATOM 742 CB LEU A 44 7.820 -7.216 -1.650 1.00 0.00 C ATOM 743 CG LEU A 44 8.671 -6.025 -1.160 1.00 0.00 C ATOM 744 CD1 LEU A 44 8.323 -5.647 0.281 1.00 0.00 C ATOM 745 CD2 LEU A 44 10.174 -6.316 -1.245 1.00 0.00 C ATOM 0 H LEU A 44 5.432 -6.123 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 44 7.394 -6.306 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.260 -7.628 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.479 -8.005 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 44 8.436 -5.192 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.940 -4.805 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.271 -5.368 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.510 -6.498 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.733 -5.450 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.413 -7.181 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.446 -6.524 -2.280 1.00 0.00 H new ATOM 757 N GLU A 45 4.988 -8.434 -2.954 1.00 0.00 N ATOM 758 CA GLU A 45 4.296 -9.642 -3.402 1.00 0.00 C ATOM 759 C GLU A 45 2.837 -9.602 -2.934 1.00 0.00 C ATOM 760 O GLU A 45 2.527 -8.907 -1.962 1.00 0.00 O ATOM 761 CB GLU A 45 5.012 -10.883 -2.840 1.00 0.00 C ATOM 762 CG GLU A 45 4.990 -10.952 -1.302 1.00 0.00 C ATOM 763 CD GLU A 45 6.202 -11.676 -0.720 1.00 0.00 C ATOM 764 OE1 GLU A 45 7.349 -11.201 -0.912 1.00 0.00 O ATOM 765 OE2 GLU A 45 6.018 -12.638 0.061 1.00 0.00 O ATOM 0 H GLU A 45 4.445 -7.884 -2.288 1.00 0.00 H new ATOM 0 HA GLU A 45 4.311 -9.693 -4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.542 -11.780 -3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.047 -10.884 -3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.950 -9.940 -0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.081 -11.460 -0.980 1.00 0.00 H new ATOM 772 N GLY A 46 1.962 -10.368 -3.596 1.00 0.00 N ATOM 773 CA GLY A 46 0.539 -10.504 -3.274 1.00 0.00 C ATOM 774 C GLY A 46 -0.350 -9.927 -4.372 1.00 0.00 C ATOM 775 O GLY A 46 0.155 -9.496 -5.417 1.00 0.00 O ATOM 0 H GLY A 46 2.237 -10.931 -4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.299 -11.557 -3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.330 -9.996 -2.333 1.00 0.00 H new ATOM 779 N LYS A 47 -1.665 -9.840 -4.136 1.00 0.00 N ATOM 780 CA LYS A 47 -2.592 -9.079 -4.977 1.00 0.00 C ATOM 781 C LYS A 47 -3.563 -8.338 -4.076 1.00 0.00 C ATOM 782 O LYS A 47 -3.920 -8.761 -2.980 1.00 0.00 O ATOM 783 CB LYS A 47 -3.356 -9.938 -6.013 1.00 0.00 C ATOM 784 CG LYS A 47 -3.260 -9.426 -7.476 1.00 0.00 C ATOM 785 CD LYS A 47 -3.716 -7.988 -7.807 1.00 0.00 C ATOM 786 CE LYS A 47 -5.224 -7.674 -7.839 1.00 0.00 C ATOM 787 NZ LYS A 47 -5.888 -8.082 -9.097 1.00 0.00 N ATOM 0 H LYS A 47 -2.118 -10.301 -3.347 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.998 -8.383 -5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.973 -10.958 -5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.407 -9.981 -5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.220 -9.519 -7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.842 -10.105 -8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.256 -7.320 -7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.304 -7.728 -8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.709 -8.177 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.367 -6.603 -7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.756 -7.524 -9.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.246 -7.917 -9.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.130 -9.092 -9.050 1.00 0.00 H new ATOM 801 N VAL A 48 -4.030 -7.227 -4.602 1.00 0.00 N ATOM 802 CA VAL A 48 -4.816 -6.182 -4.012 1.00 0.00 C ATOM 803 C VAL A 48 -5.657 -5.458 -5.003 1.00 0.00 C ATOM 804 O VAL A 48 -5.162 -5.078 -6.057 1.00 0.00 O ATOM 805 CB VAL A 48 -3.962 -5.317 -3.076 1.00 0.00 C ATOM 806 CG1 VAL A 48 -2.530 -5.070 -3.483 1.00 0.00 C ATOM 807 CG2 VAL A 48 -4.770 -4.141 -2.506 1.00 0.00 C ATOM 0 H VAL A 48 -3.838 -7.015 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.567 -6.630 -3.361 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.735 -5.939 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.042 -4.446 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.004 -6.022 -3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.508 -4.564 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.135 -3.549 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.128 -3.515 -3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.621 -4.523 -1.942 1.00 0.00 H new ATOM 817 N GLU A 49 -6.906 -5.232 -4.603 1.00 0.00 N ATOM 818 CA GLU A 49 -7.694 -4.164 -5.129 1.00 0.00 C ATOM 819 C GLU A 49 -8.270 -3.351 -3.977 1.00 0.00 C ATOM 820 O GLU A 49 -9.172 -3.803 -3.261 1.00 0.00 O ATOM 821 CB GLU A 49 -8.789 -4.728 -6.030 1.00 0.00 C ATOM 822 CG GLU A 49 -8.322 -4.906 -7.476 1.00 0.00 C ATOM 823 CD GLU A 49 -9.050 -6.047 -8.181 1.00 0.00 C ATOM 824 OE1 GLU A 49 -10.281 -6.177 -7.992 1.00 0.00 O ATOM 825 OE2 GLU A 49 -8.358 -6.833 -8.868 1.00 0.00 O ATOM 0 H GLU A 49 -7.385 -5.797 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.077 -3.501 -5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.119 -5.690 -5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.651 -4.062 -6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.485 -3.979 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.249 -5.099 -7.488 1.00 0.00 H new ATOM 832 N VAL A 50 -7.745 -2.147 -3.779 1.00 0.00 N ATOM 833 CA VAL A 50 -8.356 -1.166 -2.888 1.00 0.00 C ATOM 834 C VAL A 50 -9.443 -0.461 -3.690 1.00 0.00 C ATOM 835 O VAL A 50 -9.303 -0.270 -4.897 1.00 0.00 O ATOM 836 CB VAL A 50 -7.289 -0.201 -2.325 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.844 0.879 -1.392 1.00 0.00 C ATOM 838 CG2 VAL A 50 -6.288 -1.009 -1.500 1.00 0.00 C ATOM 0 H VAL A 50 -6.888 -1.824 -4.229 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.805 -1.636 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.850 0.294 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.028 1.512 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.570 1.487 -1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.329 0.407 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.527 -0.341 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.808 -1.505 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.813 -1.757 -2.135 1.00 0.00 H new ATOM 848 N THR A 51 -10.530 -0.073 -3.030 1.00 0.00 N ATOM 849 CA THR A 51 -11.599 0.688 -3.652 1.00 0.00 C ATOM 850 C THR A 51 -12.041 1.730 -2.629 1.00 0.00 C ATOM 851 O THR A 51 -12.480 1.370 -1.527 1.00 0.00 O ATOM 852 CB THR A 51 -12.721 -0.258 -4.118 1.00 0.00 C ATOM 853 OG1 THR A 51 -12.200 -1.289 -4.932 1.00 0.00 O ATOM 854 CG2 THR A 51 -13.769 0.452 -4.981 1.00 0.00 C ATOM 0 H THR A 51 -10.691 -0.280 -2.044 1.00 0.00 H new ATOM 0 HA THR A 51 -11.278 1.205 -4.556 1.00 0.00 H new ATOM 0 HB THR A 51 -13.173 -0.639 -3.202 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.831 -2.038 -4.955 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.536 -0.261 -5.282 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.227 1.258 -4.407 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.290 0.865 -5.868 1.00 0.00 H new ATOM 862 N THR A 52 -11.883 3.017 -2.944 1.00 0.00 N ATOM 863 CA THR A 52 -12.379 4.087 -2.085 1.00 0.00 C ATOM 864 C THR A 52 -13.910 4.029 -2.033 1.00 0.00 C ATOM 865 O THR A 52 -14.545 3.303 -2.804 1.00 0.00 O ATOM 866 CB THR A 52 -11.844 5.453 -2.558 1.00 0.00 C ATOM 867 OG1 THR A 52 -12.169 5.671 -3.911 1.00 0.00 O ATOM 868 CG2 THR A 52 -10.320 5.551 -2.421 1.00 0.00 C ATOM 0 H THR A 52 -11.414 3.341 -3.790 1.00 0.00 H new ATOM 0 HA THR A 52 -12.011 3.951 -1.068 1.00 0.00 H new ATOM 0 HB THR A 52 -12.312 6.205 -1.923 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.823 6.543 -4.194 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.986 6.530 -2.766 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.039 5.419 -1.376 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.850 4.774 -3.024 1.00 0.00 H new ATOM 876 N GLU A 53 -14.523 4.790 -1.126 1.00 0.00 N ATOM 877 CA GLU A 53 -15.975 4.960 -1.091 1.00 0.00 C ATOM 878 C GLU A 53 -16.495 5.416 -2.465 1.00 0.00 C ATOM 879 O GLU A 53 -17.518 4.921 -2.934 1.00 0.00 O ATOM 880 CB GLU A 53 -16.332 5.930 0.047 1.00 0.00 C ATOM 881 CG GLU A 53 -15.822 7.366 -0.183 1.00 0.00 C ATOM 882 CD GLU A 53 -15.394 8.075 1.101 1.00 0.00 C ATOM 883 OE1 GLU A 53 -16.080 7.963 2.135 1.00 0.00 O ATOM 884 OE2 GLU A 53 -14.341 8.754 1.053 1.00 0.00 O ATOM 0 H GLU A 53 -14.028 5.304 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.470 4.011 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -17.415 5.953 0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.916 5.551 0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.977 7.337 -0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.607 7.949 -0.666 1.00 0.00 H new ATOM 891 N ASP A 54 -15.714 6.262 -3.144 1.00 0.00 N ATOM 892 CA ASP A 54 -15.950 6.913 -4.434 1.00 0.00 C ATOM 893 C ASP A 54 -16.029 5.947 -5.625 1.00 0.00 C ATOM 894 O ASP A 54 -16.209 6.387 -6.758 1.00 0.00 O ATOM 895 CB ASP A 54 -14.794 7.907 -4.657 1.00 0.00 C ATOM 896 CG ASP A 54 -15.068 8.977 -5.718 1.00 0.00 C ATOM 897 OD1 ASP A 54 -16.198 9.505 -5.782 1.00 0.00 O ATOM 898 OD2 ASP A 54 -14.097 9.416 -6.385 1.00 0.00 O ATOM 0 H ASP A 54 -14.808 6.535 -2.763 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.925 7.399 -4.389 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.570 8.401 -3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.903 7.349 -4.945 1.00 0.00 H new ATOM 903 N GLY A 55 -15.841 4.640 -5.412 1.00 0.00 N ATOM 904 CA GLY A 55 -15.894 3.642 -6.482 1.00 0.00 C ATOM 905 C GLY A 55 -14.652 3.657 -7.381 1.00 0.00 C ATOM 906 O GLY A 55 -14.604 2.954 -8.392 1.00 0.00 O ATOM 0 H GLY A 55 -15.648 4.246 -4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.004 2.651 -6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.779 3.819 -7.093 1.00 0.00 H new ATOM 910 N LYS A 56 -13.627 4.446 -7.035 1.00 0.00 N ATOM 911 CA LYS A 56 -12.324 4.356 -7.675 1.00 0.00 C ATOM 912 C LYS A 56 -11.655 3.092 -7.171 1.00 0.00 C ATOM 913 O LYS A 56 -11.191 3.036 -6.027 1.00 0.00 O ATOM 914 CB LYS A 56 -11.470 5.595 -7.395 1.00 0.00 C ATOM 915 CG LYS A 56 -11.918 6.785 -8.243 1.00 0.00 C ATOM 916 CD LYS A 56 -11.344 6.674 -9.662 1.00 0.00 C ATOM 917 CE LYS A 56 -12.033 7.668 -10.595 1.00 0.00 C ATOM 918 NZ LYS A 56 -11.057 8.497 -11.316 1.00 0.00 N ATOM 0 H LYS A 56 -13.684 5.158 -6.307 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.441 4.313 -8.758 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.537 5.854 -6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.423 5.372 -7.603 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.007 6.821 -8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.586 7.715 -7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.271 6.867 -9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.479 5.660 -10.037 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.652 7.127 -11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.700 8.309 -10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.559 9.160 -11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.483 9.031 -10.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.437 7.887 -11.886 1.00 0.00 H new ATOM 932 N LYS A 57 -11.680 2.070 -8.017 1.00 0.00 N ATOM 933 CA LYS A 57 -10.932 0.842 -7.839 1.00 0.00 C ATOM 934 C LYS A 57 -9.465 1.132 -8.166 1.00 0.00 C ATOM 935 O LYS A 57 -9.185 1.912 -9.084 1.00 0.00 O ATOM 936 CB LYS A 57 -11.536 -0.207 -8.784 1.00 0.00 C ATOM 937 CG LYS A 57 -11.215 -1.658 -8.400 1.00 0.00 C ATOM 938 CD LYS A 57 -12.484 -2.435 -8.032 1.00 0.00 C ATOM 939 CE LYS A 57 -12.065 -3.861 -7.686 1.00 0.00 C ATOM 940 NZ LYS A 57 -12.998 -4.556 -6.787 1.00 0.00 N ATOM 0 H LYS A 57 -12.239 2.078 -8.870 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.984 0.463 -6.819 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.618 -0.080 -8.806 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.173 -0.021 -9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.712 -2.153 -9.231 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.524 -1.668 -7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.988 -1.968 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.189 -2.434 -8.863 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.969 -4.435 -8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.079 -3.837 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.647 -5.517 -6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.073 -4.032 -5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.935 -4.612 -7.235 1.00 0.00 H new ATOM 954 N TYR A 58 -8.556 0.462 -7.464 1.00 0.00 N ATOM 955 CA TYR A 58 -7.110 0.525 -7.636 1.00 0.00 C ATOM 956 C TYR A 58 -6.550 -0.875 -7.421 1.00 0.00 C ATOM 957 O TYR A 58 -6.527 -1.370 -6.293 1.00 0.00 O ATOM 958 CB TYR A 58 -6.481 1.476 -6.607 1.00 0.00 C ATOM 959 CG TYR A 58 -6.908 2.923 -6.741 1.00 0.00 C ATOM 960 CD1 TYR A 58 -6.245 3.768 -7.649 1.00 0.00 C ATOM 961 CD2 TYR A 58 -7.951 3.429 -5.943 1.00 0.00 C ATOM 962 CE1 TYR A 58 -6.597 5.124 -7.739 1.00 0.00 C ATOM 963 CE2 TYR A 58 -8.300 4.792 -6.016 1.00 0.00 C ATOM 964 CZ TYR A 58 -7.618 5.648 -6.916 1.00 0.00 C ATOM 965 OH TYR A 58 -7.952 6.966 -7.017 1.00 0.00 O ATOM 0 H TYR A 58 -8.826 -0.177 -6.716 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.879 0.894 -8.635 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.736 1.127 -5.606 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.396 1.421 -6.697 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.462 3.372 -8.279 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.485 2.771 -5.273 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.086 5.768 -8.439 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.086 5.184 -5.387 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.672 7.170 -6.385 1.00 0.00 H new ATOM 975 N VAL A 59 -6.120 -1.537 -8.487 1.00 0.00 N ATOM 976 CA VAL A 59 -5.269 -2.722 -8.400 1.00 0.00 C ATOM 977 C VAL A 59 -3.903 -2.265 -7.919 1.00 0.00 C ATOM 978 O VAL A 59 -3.392 -1.257 -8.411 1.00 0.00 O ATOM 979 CB VAL A 59 -5.170 -3.372 -9.798 1.00 0.00 C ATOM 980 CG1 VAL A 59 -4.116 -4.488 -9.891 1.00 0.00 C ATOM 981 CG2 VAL A 59 -6.523 -3.939 -10.247 1.00 0.00 C ATOM 0 H VAL A 59 -6.352 -1.267 -9.443 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.676 -3.460 -7.709 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.858 -2.564 -10.459 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.106 -4.895 -10.902 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.133 -4.081 -9.654 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.361 -5.280 -9.183 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.419 -4.389 -11.234 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.854 -4.696 -9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.258 -3.135 -10.290 1.00 0.00 H new ATOM 991 N ILE A 60 -3.276 -3.011 -7.017 1.00 0.00 N ATOM 992 CA ILE A 60 -1.877 -2.880 -6.700 1.00 0.00 C ATOM 993 C ILE A 60 -1.184 -4.219 -6.869 1.00 0.00 C ATOM 994 O ILE A 60 -1.766 -5.281 -6.604 1.00 0.00 O ATOM 995 CB ILE A 60 -1.767 -2.232 -5.309 1.00 0.00 C ATOM 996 CG1 ILE A 60 -3.025 -2.331 -4.422 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.177 -0.859 -5.195 1.00 0.00 C ATOM 998 CD1 ILE A 60 -3.877 -1.057 -4.332 1.00 0.00 C ATOM 0 H ILE A 60 -3.746 -3.738 -6.478 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.347 -2.219 -7.385 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.001 -2.901 -4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.651 -3.139 -4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.716 -2.612 -3.415 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.173 -0.550 -4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.155 -0.869 -5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.773 -0.157 -5.778 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.735 -1.238 -3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.276 -0.246 -3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.226 -0.782 -5.327 1.00 0.00 H new ATOM 1010 N GLU A 61 0.078 -4.172 -7.285 1.00 0.00 N ATOM 1011 CA GLU A 61 0.880 -5.361 -7.344 1.00 0.00 C ATOM 1012 C GLU A 61 2.321 -5.085 -6.929 1.00 0.00 C ATOM 1013 O GLU A 61 2.703 -3.966 -6.590 1.00 0.00 O ATOM 1014 CB GLU A 61 0.878 -5.959 -8.762 1.00 0.00 C ATOM 1015 CG GLU A 61 -0.479 -6.303 -9.370 1.00 0.00 C ATOM 1016 CD GLU A 61 -0.379 -6.695 -10.850 1.00 0.00 C ATOM 1017 OE1 GLU A 61 0.692 -6.513 -11.485 1.00 0.00 O ATOM 1018 OE2 GLU A 61 -1.411 -7.098 -11.425 1.00 0.00 O ATOM 0 H GLU A 61 0.554 -3.320 -7.582 1.00 0.00 H new ATOM 0 HA GLU A 61 0.438 -6.073 -6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.378 -5.254 -9.427 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.482 -6.866 -8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.927 -7.124 -8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.146 -5.447 -9.269 1.00 0.00 H new ATOM 1025 N LYS A 62 3.134 -6.138 -6.992 1.00 0.00 N ATOM 1026 CA LYS A 62 4.569 -6.146 -6.722 1.00 0.00 C ATOM 1027 C LYS A 62 5.332 -5.235 -7.697 1.00 0.00 C ATOM 1028 O LYS A 62 5.847 -5.636 -8.738 1.00 0.00 O ATOM 1029 CB LYS A 62 5.087 -7.590 -6.677 1.00 0.00 C ATOM 1030 CG LYS A 62 5.072 -8.293 -8.036 1.00 0.00 C ATOM 1031 CD LYS A 62 4.895 -9.810 -7.890 1.00 0.00 C ATOM 1032 CE LYS A 62 5.326 -10.536 -9.169 1.00 0.00 C ATOM 1033 NZ LYS A 62 4.342 -10.421 -10.262 1.00 0.00 N ATOM 0 H LYS A 62 2.787 -7.062 -7.248 1.00 0.00 H new ATOM 0 HA LYS A 62 4.755 -5.718 -5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.106 -7.589 -6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.480 -8.162 -5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.263 -7.890 -8.645 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.003 -8.085 -8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.485 -10.170 -7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.852 -10.039 -7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.281 -10.132 -9.504 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.488 -11.590 -8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.691 -10.932 -11.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.436 -10.832 -9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.205 -9.418 -10.501 1.00 0.00 H new ATOM 1047 N GLY A 63 5.391 -3.966 -7.353 1.00 0.00 N ATOM 1048 CA GLY A 63 6.101 -2.913 -8.070 1.00 0.00 C ATOM 1049 C GLY A 63 5.384 -1.567 -8.018 1.00 0.00 C ATOM 1050 O GLY A 63 5.986 -0.557 -8.383 1.00 0.00 O ATOM 0 H GLY A 63 4.920 -3.616 -6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.100 -2.803 -7.647 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.227 -3.211 -9.111 1.00 0.00 H new ATOM 1054 N ASP A 64 4.136 -1.523 -7.553 1.00 0.00 N ATOM 1055 CA ASP A 64 3.389 -0.290 -7.362 1.00 0.00 C ATOM 1056 C ASP A 64 3.672 0.175 -5.931 1.00 0.00 C ATOM 1057 O ASP A 64 3.215 -0.454 -4.974 1.00 0.00 O ATOM 1058 CB ASP A 64 1.890 -0.552 -7.593 1.00 0.00 C ATOM 1059 CG ASP A 64 1.563 -1.070 -8.996 1.00 0.00 C ATOM 1060 OD1 ASP A 64 1.680 -0.322 -9.999 1.00 0.00 O ATOM 1061 OD2 ASP A 64 1.220 -2.269 -9.109 1.00 0.00 O ATOM 0 H ASP A 64 3.611 -2.359 -7.296 1.00 0.00 H new ATOM 0 HA ASP A 64 3.687 0.484 -8.069 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.540 -1.276 -6.858 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.338 0.372 -7.419 1.00 0.00 H new ATOM 1066 N LEU A 65 4.476 1.226 -5.756 1.00 0.00 N ATOM 1067 CA LEU A 65 4.626 1.901 -4.470 1.00 0.00 C ATOM 1068 C LEU A 65 3.386 2.765 -4.260 1.00 0.00 C ATOM 1069 O LEU A 65 2.878 3.330 -5.232 1.00 0.00 O ATOM 1070 CB LEU A 65 5.891 2.759 -4.508 1.00 0.00 C ATOM 1071 CG LEU A 65 6.173 3.635 -3.265 1.00 0.00 C ATOM 1072 CD1 LEU A 65 6.784 2.806 -2.134 1.00 0.00 C ATOM 1073 CD2 LEU A 65 7.133 4.780 -3.603 1.00 0.00 C ATOM 0 H LEU A 65 5.040 1.631 -6.503 1.00 0.00 H new ATOM 0 HA LEU A 65 4.720 1.190 -3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.745 2.099 -4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.833 3.412 -5.379 1.00 0.00 H new ATOM 0 HG LEU A 65 5.216 4.044 -2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.972 3.448 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.093 2.012 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.723 2.367 -2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.313 5.379 -2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.077 4.370 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.693 5.407 -4.378 1.00 0.00 H new ATOM 1085 N VAL A 66 2.938 2.920 -3.014 1.00 0.00 N ATOM 1086 CA VAL A 66 1.778 3.733 -2.677 1.00 0.00 C ATOM 1087 C VAL A 66 2.144 4.697 -1.547 1.00 0.00 C ATOM 1088 O VAL A 66 3.054 4.439 -0.752 1.00 0.00 O ATOM 1089 CB VAL A 66 0.573 2.813 -2.344 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.738 3.609 -2.242 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.365 1.693 -3.382 1.00 0.00 C ATOM 0 H VAL A 66 3.377 2.479 -2.206 1.00 0.00 H new ATOM 0 HA VAL A 66 1.473 4.345 -3.526 1.00 0.00 H new ATOM 0 HB VAL A 66 0.821 2.364 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.558 2.931 -2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.649 4.357 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.937 4.105 -3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.492 1.084 -3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.183 2.134 -4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.256 1.067 -3.426 1.00 0.00 H new ATOM 1101 N THR A 67 1.427 5.817 -1.450 1.00 0.00 N ATOM 1102 CA THR A 67 1.375 6.653 -0.262 1.00 0.00 C ATOM 1103 C THR A 67 -0.061 7.118 -0.036 1.00 0.00 C ATOM 1104 O THR A 67 -0.668 7.746 -0.913 1.00 0.00 O ATOM 1105 CB THR A 67 2.340 7.837 -0.383 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.653 7.346 -0.624 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.356 8.660 0.922 1.00 0.00 C ATOM 0 H THR A 67 0.855 6.172 -2.216 1.00 0.00 H new ATOM 0 HA THR A 67 1.693 6.072 0.603 1.00 0.00 H new ATOM 0 HB THR A 67 2.010 8.473 -1.204 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.274 8.100 -0.704 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.047 9.496 0.816 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.355 9.040 1.125 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.677 8.026 1.748 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.580 6.814 1.149 1.00 0.00 N ATOM 1116 CA PHE A 68 -1.852 7.293 1.652 1.00 0.00 C ATOM 1117 C PHE A 68 -1.659 8.651 2.348 1.00 0.00 C ATOM 1118 O PHE A 68 -0.563 8.956 2.839 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.423 6.218 2.587 1.00 0.00 C ATOM 1120 CG PHE A 68 -2.649 4.901 1.861 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -3.662 4.814 0.888 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -1.796 3.800 2.074 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -3.849 3.629 0.158 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -1.967 2.622 1.322 1.00 0.00 C ATOM 1125 CZ PHE A 68 -2.999 2.533 0.371 1.00 0.00 C ATOM 0 H PHE A 68 -0.101 6.201 1.809 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.565 7.460 0.845 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.739 6.061 3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.365 6.567 3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.300 5.665 0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.011 3.860 2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.647 3.561 -0.567 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.303 1.784 1.476 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.137 1.623 -0.194 1.00 0.00 H new ATOM 1135 N PRO A 69 -2.700 9.496 2.386 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.677 10.766 3.092 1.00 0.00 C ATOM 1137 C PRO A 69 -2.912 10.525 4.583 1.00 0.00 C ATOM 1138 O PRO A 69 -3.165 9.408 5.029 1.00 0.00 O ATOM 1139 CB PRO A 69 -3.820 11.577 2.479 1.00 0.00 C ATOM 1140 CG PRO A 69 -4.861 10.485 2.302 1.00 0.00 C ATOM 1141 CD PRO A 69 -4.030 9.280 1.841 1.00 0.00 C ATOM 0 HA PRO A 69 -1.724 11.287 3.000 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.163 12.375 3.137 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.540 12.041 1.534 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.389 10.278 3.233 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.613 10.762 1.563 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.457 8.346 2.206 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.003 9.215 0.753 1.00 0.00 H new ATOM 1149 N LYS A 70 -2.908 11.611 5.345 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.440 11.613 6.694 1.00 0.00 C ATOM 1151 C LYS A 70 -4.946 11.820 6.573 1.00 0.00 C ATOM 1152 O LYS A 70 -5.383 12.940 6.324 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.737 12.689 7.537 1.00 0.00 C ATOM 1154 CG LYS A 70 -3.319 12.730 8.952 1.00 0.00 C ATOM 1155 CD LYS A 70 -2.471 13.567 9.891 1.00 0.00 C ATOM 1156 CE LYS A 70 -3.139 13.544 11.267 1.00 0.00 C ATOM 1157 NZ LYS A 70 -2.702 14.676 12.094 1.00 0.00 N ATOM 0 H LYS A 70 -2.536 12.511 5.043 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.256 10.673 7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.668 12.481 7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.852 13.663 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.330 13.137 8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.397 11.715 9.341 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.459 13.167 9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.389 14.590 9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.222 13.575 11.148 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.901 12.608 11.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.173 14.631 13.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.672 14.631 12.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.952 15.568 11.621 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.719 10.751 6.749 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.159 10.782 6.945 1.00 0.00 C ATOM 1173 C GLY A 71 -7.922 10.396 5.685 1.00 0.00 C ATOM 1174 O GLY A 71 -8.674 11.225 5.169 1.00 0.00 O ATOM 0 H GLY A 71 -5.340 9.804 6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.428 10.102 7.753 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.460 11.782 7.257 1.00 0.00 H new ATOM 1178 N LEU A 72 -7.750 9.159 5.207 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.473 8.548 4.085 1.00 0.00 C ATOM 1180 C LEU A 72 -9.126 7.261 4.574 1.00 0.00 C ATOM 1181 O LEU A 72 -8.526 6.549 5.375 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.483 8.224 2.950 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.022 7.339 1.802 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -9.044 8.080 0.934 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -6.857 6.884 0.926 1.00 0.00 C ATOM 0 H LEU A 72 -7.065 8.522 5.614 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.232 9.234 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.134 9.164 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.614 7.729 3.385 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.524 6.482 2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.395 7.420 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.889 8.388 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.576 8.960 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.233 6.260 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.353 7.756 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.151 6.311 1.528 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.286 6.916 4.010 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.007 5.670 4.244 1.00 0.00 C ATOM 1199 C ARG A 73 -11.114 4.897 2.932 1.00 0.00 C ATOM 1200 O ARG A 73 -11.351 5.506 1.885 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.400 5.976 4.831 1.00 0.00 C ATOM 1202 CG ARG A 73 -13.266 6.976 4.029 1.00 0.00 C ATOM 1203 CD ARG A 73 -13.128 8.444 4.459 1.00 0.00 C ATOM 1204 NE ARG A 73 -13.822 8.726 5.727 1.00 0.00 N ATOM 1205 CZ ARG A 73 -14.088 9.945 6.213 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -13.587 11.042 5.647 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -14.884 10.053 7.269 1.00 0.00 N ATOM 0 H ARG A 73 -10.766 7.527 3.349 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.468 5.055 4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.950 5.039 4.920 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.270 6.366 5.841 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.004 6.896 2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.312 6.683 4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.072 8.691 4.564 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.530 9.088 3.677 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.126 7.926 6.282 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.987 10.964 4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.803 11.960 6.035 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.281 9.216 7.696 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.099 10.973 7.654 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.004 3.568 2.957 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.364 2.738 1.811 1.00 0.00 C ATOM 1223 C CYS A 74 -11.446 1.262 2.171 1.00 0.00 C ATOM 1224 O CYS A 74 -10.851 0.821 3.151 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.329 2.858 0.695 1.00 0.00 C ATOM 1226 SG CYS A 74 -8.652 2.583 1.355 1.00 0.00 S ATOM 0 H CYS A 74 -10.666 3.043 3.764 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.339 3.100 1.485 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.543 2.131 -0.088 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.390 3.846 0.238 1.00 0.00 H new ATOM 0 HG CYS A 74 -8.712 1.770 2.367 1.00 0.00 H new ATOM 1232 N ARG A 75 -12.077 0.461 1.309 1.00 0.00 N ATOM 1233 CA ARG A 75 -11.983 -0.988 1.416 1.00 0.00 C ATOM 1234 C ARG A 75 -10.653 -1.459 0.881 1.00 0.00 C ATOM 1235 O ARG A 75 -10.215 -0.939 -0.143 1.00 0.00 O ATOM 1236 CB ARG A 75 -13.097 -1.677 0.637 1.00 0.00 C ATOM 1237 CG ARG A 75 -14.257 -2.022 1.563 1.00 0.00 C ATOM 1238 CD ARG A 75 -15.031 -0.777 1.990 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.731 -0.155 0.855 1.00 0.00 N ATOM 1240 CZ ARG A 75 -17.053 -0.285 0.623 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -17.810 -1.092 1.366 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -17.642 0.400 -0.346 1.00 0.00 N ATOM 0 H ARG A 75 -12.654 0.793 0.536 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.079 -1.247 2.470 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.445 -1.026 -0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.715 -2.584 0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.931 -2.714 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.877 -2.535 2.447 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.754 -1.044 2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.344 -0.056 2.433 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.183 0.408 0.205 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.391 -1.626 2.127 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.808 -1.175 1.173 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.095 1.035 -0.927 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.643 0.292 -0.511 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.104 -2.508 1.491 1.00 0.00 N ATOM 1257 CA TRP A 76 -9.101 -3.341 0.844 1.00 0.00 C ATOM 1258 C TRP A 76 -9.808 -4.631 0.444 1.00 0.00 C ATOM 1259 O TRP A 76 -10.564 -5.194 1.241 1.00 0.00 O ATOM 1260 CB TRP A 76 -7.873 -3.647 1.727 1.00 0.00 C ATOM 1261 CG TRP A 76 -6.768 -2.632 1.664 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -6.941 -1.314 1.913 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.346 -2.788 1.291 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -5.758 -0.649 1.691 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -4.720 -1.513 1.428 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -4.503 -3.831 0.821 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.347 -1.304 1.219 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -3.123 -3.635 0.615 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -2.536 -2.378 0.826 1.00 0.00 C ATOM 0 H TRP A 76 -10.341 -2.800 2.439 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.695 -2.804 -0.013 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -8.203 -3.736 2.762 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -7.470 -4.617 1.436 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -7.864 -0.855 2.236 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.661 0.366 1.718 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.932 -4.801 0.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -2.919 -0.323 1.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -2.509 -4.462 0.291 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.474 -2.240 0.688 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.555 -5.137 -0.759 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.787 -6.535 -1.083 1.00 0.00 C ATOM 1282 C LYS A 77 -8.406 -7.107 -1.329 1.00 0.00 C ATOM 1283 O LYS A 77 -7.765 -6.761 -2.319 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.747 -6.690 -2.273 1.00 0.00 C ATOM 1285 CG LYS A 77 -11.127 -8.167 -2.477 1.00 0.00 C ATOM 1286 CD LYS A 77 -12.579 -8.371 -2.925 1.00 0.00 C ATOM 1287 CE LYS A 77 -12.904 -9.869 -3.042 1.00 0.00 C ATOM 1288 NZ LYS A 77 -14.304 -10.168 -2.673 1.00 0.00 N ATOM 0 H LYS A 77 -9.184 -4.588 -1.534 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.288 -7.078 -0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.646 -6.099 -2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.279 -6.302 -3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.461 -8.605 -3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.964 -8.708 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.255 -7.901 -2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.741 -7.882 -3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.721 -10.200 -4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.232 -10.436 -2.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.570 -11.102 -3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.397 -10.170 -1.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.932 -9.443 -3.076 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.893 -7.856 -0.363 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.639 -8.566 -0.488 1.00 0.00 C ATOM 1304 C VAL A 78 -6.996 -9.766 -1.346 1.00 0.00 C ATOM 1305 O VAL A 78 -7.749 -10.634 -0.913 1.00 0.00 O ATOM 1306 CB VAL A 78 -6.097 -8.970 0.892 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.624 -9.373 0.779 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -6.240 -7.826 1.909 1.00 0.00 C ATOM 0 H VAL A 78 -8.347 -7.986 0.541 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.843 -7.969 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.685 -9.817 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.248 -9.658 1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.529 -10.217 0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.045 -8.532 0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.847 -8.146 2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.682 -6.957 1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.292 -7.563 2.015 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.574 -9.746 -2.603 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.900 -10.810 -3.537 1.00 0.00 C ATOM 1320 C LEU A 79 -5.853 -11.918 -3.475 1.00 0.00 C ATOM 1321 O LEU A 79 -6.162 -13.034 -3.885 1.00 0.00 O ATOM 1322 CB LEU A 79 -7.116 -10.228 -4.943 1.00 0.00 C ATOM 1323 CG LEU A 79 -8.468 -9.513 -5.106 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -8.523 -8.853 -6.479 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.676 -10.444 -4.946 1.00 0.00 C ATOM 0 H LEU A 79 -6.002 -9.000 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.842 -11.281 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.313 -9.526 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.048 -11.032 -5.676 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.532 -8.774 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.479 -8.344 -6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.713 -8.129 -6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.416 -9.613 -7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.595 -9.872 -5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.631 -11.231 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.662 -10.891 -3.952 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.679 -11.666 -2.890 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.764 -12.698 -2.417 1.00 0.00 C ATOM 1339 C GLU A 80 -2.963 -12.176 -1.226 1.00 0.00 C ATOM 1340 O GLU A 80 -2.704 -10.970 -1.185 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.772 -13.101 -3.517 1.00 0.00 C ATOM 1342 CG GLU A 80 -3.271 -14.259 -4.372 1.00 0.00 C ATOM 1343 CD GLU A 80 -2.129 -15.200 -4.746 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -1.857 -16.170 -4.006 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -1.523 -14.963 -5.816 1.00 0.00 O ATOM 0 H GLU A 80 -4.335 -10.719 -2.731 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.361 -13.563 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.579 -12.240 -4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.822 -13.377 -3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.038 -14.811 -3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.738 -13.871 -5.277 1.00 0.00 H new ATOM 1352 N PRO A 81 -2.529 -13.061 -0.305 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.847 -12.685 0.925 1.00 0.00 C ATOM 1354 C PRO A 81 -0.580 -11.888 0.611 1.00 0.00 C ATOM 1355 O PRO A 81 0.344 -12.388 -0.036 1.00 0.00 O ATOM 1356 CB PRO A 81 -1.576 -13.988 1.686 1.00 0.00 C ATOM 1357 CG PRO A 81 -1.624 -15.066 0.610 1.00 0.00 C ATOM 1358 CD PRO A 81 -2.627 -14.513 -0.397 1.00 0.00 C ATOM 0 HA PRO A 81 -2.451 -12.025 1.548 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.606 -13.965 2.183 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.326 -14.162 2.458 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.646 -15.226 0.157 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.948 -16.025 1.015 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.397 -14.857 -1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.637 -14.851 -0.167 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.576 -10.620 1.015 1.00 0.00 N ATOM 1367 CA VAL A 82 0.423 -9.645 0.600 1.00 0.00 C ATOM 1368 C VAL A 82 1.622 -9.690 1.549 1.00 0.00 C ATOM 1369 O VAL A 82 1.505 -10.148 2.695 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.263 -8.258 0.502 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -0.356 -7.537 1.854 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.370 -7.299 -0.514 1.00 0.00 C ATOM 0 H VAL A 82 -1.278 -10.238 1.649 1.00 0.00 H new ATOM 0 HA VAL A 82 0.827 -9.874 -0.386 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.263 -8.510 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.846 -6.573 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.935 -8.143 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.646 -7.382 2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.176 -6.356 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.410 -7.117 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.326 -7.742 -1.509 1.00 0.00 H new ATOM 1382 N ARG A 83 2.738 -9.102 1.115 1.00 0.00 N ATOM 1383 CA ARG A 83 3.778 -8.586 1.996 1.00 0.00 C ATOM 1384 C ARG A 83 4.158 -7.215 1.460 1.00 0.00 C ATOM 1385 O ARG A 83 4.490 -7.072 0.278 1.00 0.00 O ATOM 1386 CB ARG A 83 4.972 -9.564 2.079 1.00 0.00 C ATOM 1387 CG ARG A 83 5.313 -9.914 3.534 1.00 0.00 C ATOM 1388 CD ARG A 83 6.194 -11.172 3.655 1.00 0.00 C ATOM 1389 NE ARG A 83 6.093 -11.802 4.976 1.00 0.00 N ATOM 1390 CZ ARG A 83 5.015 -12.464 5.410 1.00 0.00 C ATOM 1391 NH1 ARG A 83 3.983 -12.702 4.609 1.00 0.00 N ATOM 1392 NH2 ARG A 83 4.956 -12.882 6.665 1.00 0.00 N ATOM 0 H ARG A 83 2.945 -8.971 0.125 1.00 0.00 H new ATOM 0 HA ARG A 83 3.427 -8.489 3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.736 -10.476 1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.842 -9.119 1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.827 -9.070 3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.389 -10.068 4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.902 -11.891 2.890 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.233 -10.904 3.462 1.00 0.00 H new ATOM 0 HE ARG A 83 6.895 -11.731 5.602 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.003 -12.378 3.642 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.171 -13.209 4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.733 -12.699 7.301 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.134 -13.387 6.996 1.00 0.00 H new ATOM 1406 N LYS A 84 4.041 -6.188 2.301 1.00 0.00 N ATOM 1407 CA LYS A 84 4.534 -4.858 1.990 1.00 0.00 C ATOM 1408 C LYS A 84 5.292 -4.314 3.187 1.00 0.00 C ATOM 1409 O LYS A 84 4.860 -4.457 4.332 1.00 0.00 O ATOM 1410 CB LYS A 84 3.427 -3.928 1.447 1.00 0.00 C ATOM 1411 CG LYS A 84 2.065 -3.781 2.153 1.00 0.00 C ATOM 1412 CD LYS A 84 2.132 -3.202 3.571 1.00 0.00 C ATOM 1413 CE LYS A 84 1.083 -2.154 3.989 1.00 0.00 C ATOM 1414 NZ LYS A 84 -0.314 -2.425 3.605 1.00 0.00 N ATOM 0 H LYS A 84 3.600 -6.261 3.218 1.00 0.00 H new ATOM 0 HA LYS A 84 5.241 -4.915 1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.858 -2.929 1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.219 -4.249 0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.424 -3.142 1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.588 -4.760 2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.066 -4.034 4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.117 -2.754 3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.123 -2.046 5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.373 -1.194 3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.897 -1.587 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.358 -2.645 2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.673 -3.234 4.151 1.00 0.00 H new ATOM 1428 N HIS A 85 6.399 -3.636 2.910 1.00 0.00 N ATOM 1429 CA HIS A 85 7.052 -2.788 3.886 1.00 0.00 C ATOM 1430 C HIS A 85 6.193 -1.529 3.905 1.00 0.00 C ATOM 1431 O HIS A 85 6.206 -0.787 2.918 1.00 0.00 O ATOM 1432 CB HIS A 85 8.506 -2.530 3.459 1.00 0.00 C ATOM 1433 CG HIS A 85 9.466 -3.561 4.004 1.00 0.00 C ATOM 1434 ND1 HIS A 85 10.188 -4.508 3.302 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.812 -3.670 5.321 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.958 -5.164 4.190 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.759 -4.693 5.428 1.00 0.00 N ATOM 0 H HIS A 85 6.865 -3.662 2.003 1.00 0.00 H new ATOM 0 HA HIS A 85 7.125 -3.222 4.883 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.565 -2.524 2.371 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.810 -1.540 3.800 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.424 -3.073 6.133 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.642 -5.961 3.939 1.00 0.00 H new ATOM 0 HE2 HIS A 85 11.211 -5.018 6.283 1.00 0.00 H new ATOM 1445 N TYR A 86 5.371 -1.338 4.942 1.00 0.00 N ATOM 1446 CA TYR A 86 4.729 -0.046 5.169 1.00 0.00 C ATOM 1447 C TYR A 86 5.699 0.816 5.949 1.00 0.00 C ATOM 1448 O TYR A 86 6.585 0.289 6.620 1.00 0.00 O ATOM 1449 CB TYR A 86 3.388 -0.147 5.920 1.00 0.00 C ATOM 1450 CG TYR A 86 3.424 -0.417 7.417 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.887 -1.654 7.898 1.00 0.00 C ATOM 1452 CD2 TYR A 86 2.932 0.539 8.332 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.854 -1.945 9.272 1.00 0.00 C ATOM 1454 CE2 TYR A 86 2.918 0.262 9.713 1.00 0.00 C ATOM 1455 CZ TYR A 86 3.378 -0.986 10.190 1.00 0.00 C ATOM 1456 OH TYR A 86 3.362 -1.267 11.521 1.00 0.00 O ATOM 0 H TYR A 86 5.138 -2.055 5.629 1.00 0.00 H new ATOM 0 HA TYR A 86 4.489 0.390 4.199 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.846 0.786 5.762 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.803 -0.939 5.452 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.272 -2.387 7.205 1.00 0.00 H new ATOM 0 HD2 TYR A 86 2.564 1.488 7.971 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.194 -2.907 9.627 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.555 1.005 10.408 1.00 0.00 H new ATOM 0 HH TYR A 86 3.005 -0.498 12.013 1.00 0.00 H new ATOM 1466 N ASN A 87 5.497 2.128 5.941 1.00 0.00 N ATOM 1467 CA ASN A 87 5.945 2.925 7.061 1.00 0.00 C ATOM 1468 C ASN A 87 5.043 4.124 7.235 1.00 0.00 C ATOM 1469 O ASN A 87 4.630 4.752 6.257 1.00 0.00 O ATOM 1470 CB ASN A 87 7.394 3.383 6.900 1.00 0.00 C ATOM 1471 CG ASN A 87 7.965 3.812 8.241 1.00 0.00 C ATOM 1472 OD1 ASN A 87 7.483 3.416 9.300 1.00 0.00 O ATOM 1473 ND2 ASN A 87 8.989 4.642 8.234 1.00 0.00 N ATOM 0 H ASN A 87 5.038 2.645 5.191 1.00 0.00 H new ATOM 0 HA ASN A 87 5.897 2.295 7.949 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.994 2.574 6.484 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.444 4.212 6.194 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.391 4.963 9.115 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.379 4.963 7.348 1.00 0.00 H new ATOM 1480 N LEU A 88 4.760 4.435 8.493 1.00 0.00 N ATOM 1481 CA LEU A 88 4.070 5.646 8.899 1.00 0.00 C ATOM 1482 C LEU A 88 5.029 6.827 8.711 1.00 0.00 C ATOM 1483 O LEU A 88 6.252 6.630 8.609 1.00 0.00 O ATOM 1484 CB LEU A 88 3.644 5.497 10.373 1.00 0.00 C ATOM 1485 CG LEU A 88 2.663 4.327 10.620 1.00 0.00 C ATOM 1486 CD1 LEU A 88 2.587 3.994 12.112 1.00 0.00 C ATOM 1487 CD2 LEU A 88 1.263 4.642 10.088 1.00 0.00 C ATOM 0 H LEU A 88 5.012 3.834 9.278 1.00 0.00 H new ATOM 0 HA LEU A 88 3.177 5.820 8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.533 5.350 10.986 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.179 6.426 10.704 1.00 0.00 H new ATOM 0 HG LEU A 88 3.046 3.463 10.077 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.892 3.169 12.266 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.575 3.708 12.472 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.240 4.868 12.663 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.602 3.797 10.280 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.874 5.528 10.590 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.314 4.826 9.015 1.00 0.00 H new ATOM 1499 N PHE A 89 4.524 8.059 8.707 1.00 0.00 N ATOM 1500 CA PHE A 89 5.329 9.247 8.960 1.00 0.00 C ATOM 1501 C PHE A 89 4.428 10.341 9.492 1.00 0.00 C ATOM 1502 O PHE A 89 3.284 10.464 9.014 1.00 0.00 O ATOM 1503 CB PHE A 89 6.153 9.709 7.744 1.00 0.00 C ATOM 1504 CG PHE A 89 5.455 9.875 6.405 1.00 0.00 C ATOM 1505 CD1 PHE A 89 5.040 8.748 5.667 1.00 0.00 C ATOM 1506 CD2 PHE A 89 5.334 11.157 5.834 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.521 8.900 4.370 1.00 0.00 C ATOM 1508 CE2 PHE A 89 4.830 11.309 4.530 1.00 0.00 C ATOM 1509 CZ PHE A 89 4.432 10.181 3.792 1.00 0.00 C ATOM 0 H PHE A 89 3.540 8.260 8.527 1.00 0.00 H new ATOM 0 HA PHE A 89 6.079 8.993 9.709 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.609 10.666 7.999 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.965 8.996 7.606 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.121 7.762 6.101 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.630 12.028 6.401 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.190 8.034 3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.749 12.294 4.095 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.059 10.296 2.785 1.00 0.00 H new