USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 842 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 9 MET CE :methyl 177:sc= -0.433 (180deg=-0.499) USER MOD Single : A 10 THR OG1 : rot 75:sc= 1.7 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 13 MET CE :methyl -161:sc= -0.393 (180deg=-0.865) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.07) USER MOD Single : A 24 TYR OH : rot 30:sc= -0.455 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -2.11! K(o=-2.1!,f=0.4) USER MOD Single : A 63 LYS NZ :NH3+ 146:sc= 1.07 (180deg=0.401) USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= -0.0157 (180deg=-0.192) USER MOD Single : A 69 TYR OH : rot -118:sc= 0.327 USER MOD Single : A 71 HIS : no HD1:sc= 0.00884 K(o=0.0088,f=-3.8!) USER MOD Single : A 72 LYS NZ :NH3+ -139:sc= 0.443 (180deg=0.183) USER MOD Single : A 74 GLN : amide:sc= -0.343 K(o=-0.34,f=-1.1) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0401 K(o=-0.04,f=-1.3!) USER MOD Single : A 88 GLN : amide:sc= -3.27! C(o=-3.3!,f=-3.6!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0.696 USER MOD Single : A 92 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.0083) USER MOD Single : A 93 HIS : no HD1:sc= -1.62! C(o=-1.6!,f=-7.9!) USER MOD Single : A 95 HIS : no HD1:sc= -0.037 X(o=-0.037,f=-0.23) USER MOD Single : A 96 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0489) USER MOD Single : A 97 LYS NZ :NH3+ 153:sc= -2.09! (180deg=-3.69!) USER MOD Single : A 100 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.21) USER MOD Single : A 103 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 83:sc= 1.22 USER MOD Single : A 111 HIS : no HD1:sc= -0.256 X(o=-0.26,f=0.057) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N LEU A 6 -0.971 10.870 -9.177 1.00 0.00 N ATOM 82 CA LEU A 6 -0.573 9.988 -8.084 1.00 0.00 C ATOM 83 C LEU A 6 -1.779 9.645 -7.213 1.00 0.00 C ATOM 84 O LEU A 6 -1.741 8.703 -6.419 1.00 0.00 O ATOM 85 CB LEU A 6 0.516 10.653 -7.230 1.00 0.00 C ATOM 86 CG LEU A 6 1.139 9.765 -6.148 1.00 0.00 C ATOM 87 CD1 LEU A 6 1.917 8.624 -6.779 1.00 0.00 C ATOM 88 CD2 LEU A 6 2.038 10.586 -5.236 1.00 0.00 C ATOM 0 HA LEU A 6 -0.173 9.069 -8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.310 11.001 -7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.090 11.535 -6.751 1.00 0.00 H new ATOM 0 HG LEU A 6 0.336 9.341 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.353 8.004 -5.996 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.246 8.020 -7.389 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.712 9.028 -7.406 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.472 9.939 -4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.836 11.039 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.451 11.369 -4.756 1.00 0.00 H new ATOM 100 N LEU A 7 -2.853 10.415 -7.376 1.00 0.00 N ATOM 101 CA LEU A 7 -4.059 10.242 -6.571 1.00 0.00 C ATOM 102 C LEU A 7 -4.621 8.828 -6.702 1.00 0.00 C ATOM 103 O LEU A 7 -4.816 8.141 -5.702 1.00 0.00 O ATOM 104 CB LEU A 7 -5.120 11.266 -6.986 1.00 0.00 C ATOM 105 CG LEU A 7 -6.412 11.243 -6.162 1.00 0.00 C ATOM 106 CD1 LEU A 7 -6.124 11.566 -4.706 1.00 0.00 C ATOM 107 CD2 LEU A 7 -7.425 12.219 -6.741 1.00 0.00 C ATOM 0 H LEU A 7 -2.912 11.168 -8.062 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.789 10.402 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.684 12.263 -6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.373 11.098 -8.033 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.835 10.240 -6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.054 11.545 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.433 10.828 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.678 12.558 -4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.338 12.192 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.010 13.227 -6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.654 11.938 -7.769 1.00 0.00 H new ATOM 119 N GLU A 8 -4.851 8.389 -7.937 1.00 0.00 N ATOM 120 CA GLU A 8 -5.440 7.081 -8.183 1.00 0.00 C ATOM 121 C GLU A 8 -4.508 5.967 -7.715 1.00 0.00 C ATOM 122 O GLU A 8 -4.960 4.948 -7.203 1.00 0.00 O ATOM 123 CB GLU A 8 -5.748 6.908 -9.670 1.00 0.00 C ATOM 124 CG GLU A 8 -6.492 5.624 -9.980 1.00 0.00 C ATOM 125 CD GLU A 8 -6.612 5.357 -11.462 1.00 0.00 C ATOM 126 OE1 GLU A 8 -7.559 5.870 -12.089 1.00 0.00 O ATOM 127 OE2 GLU A 8 -5.761 4.625 -12.008 1.00 0.00 O ATOM 0 H GLU A 8 -4.638 8.921 -8.780 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.369 7.018 -7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.341 7.756 -10.013 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.814 6.924 -10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.977 4.788 -9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.489 5.673 -9.543 1.00 0.00 H new ATOM 134 N MET A 9 -3.204 6.173 -7.890 1.00 0.00 N ATOM 135 CA MET A 9 -2.206 5.202 -7.447 1.00 0.00 C ATOM 136 C MET A 9 -2.309 4.977 -5.944 1.00 0.00 C ATOM 137 O MET A 9 -2.259 3.843 -5.466 1.00 0.00 O ATOM 138 CB MET A 9 -0.799 5.681 -7.808 1.00 0.00 C ATOM 139 CG MET A 9 -0.529 5.700 -9.303 1.00 0.00 C ATOM 140 SD MET A 9 1.021 6.518 -9.720 1.00 0.00 S ATOM 141 CE MET A 9 2.193 5.570 -8.754 1.00 0.00 C ATOM 0 H MET A 9 -2.814 7.004 -8.335 1.00 0.00 H new ATOM 0 HA MET A 9 -2.399 4.258 -7.956 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.652 6.684 -7.408 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.068 5.034 -7.323 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.507 4.676 -9.677 1.00 0.00 H new ATOM 0 HG3 MET A 9 -1.350 6.207 -9.810 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.203 5.929 -8.953 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.969 5.686 -7.694 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.122 4.517 -9.026 1.00 0.00 H new ATOM 151 N THR A 10 -2.465 6.068 -5.209 1.00 0.00 N ATOM 152 CA THR A 10 -2.612 6.006 -3.765 1.00 0.00 C ATOM 153 C THR A 10 -3.937 5.344 -3.391 1.00 0.00 C ATOM 154 O THR A 10 -3.975 4.439 -2.559 1.00 0.00 O ATOM 155 CB THR A 10 -2.539 7.417 -3.150 1.00 0.00 C ATOM 156 OG1 THR A 10 -1.370 8.091 -3.639 1.00 0.00 O ATOM 157 CG2 THR A 10 -2.488 7.354 -1.631 1.00 0.00 C ATOM 0 H THR A 10 -2.493 7.012 -5.593 1.00 0.00 H new ATOM 0 HA THR A 10 -1.793 5.408 -3.366 1.00 0.00 H new ATOM 0 HB THR A 10 -3.436 7.963 -3.440 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.519 8.373 -4.566 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.437 8.365 -1.226 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.384 6.858 -1.257 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.607 6.794 -1.319 1.00 0.00 H new ATOM 165 N GLU A 11 -5.011 5.788 -4.043 1.00 0.00 N ATOM 166 CA GLU A 11 -6.345 5.234 -3.819 1.00 0.00 C ATOM 167 C GLU A 11 -6.363 3.727 -4.054 1.00 0.00 C ATOM 168 O GLU A 11 -6.901 2.967 -3.246 1.00 0.00 O ATOM 169 CB GLU A 11 -7.354 5.917 -4.746 1.00 0.00 C ATOM 170 CG GLU A 11 -7.613 7.377 -4.404 1.00 0.00 C ATOM 171 CD GLU A 11 -8.313 7.556 -3.071 1.00 0.00 C ATOM 172 OE1 GLU A 11 -7.636 7.529 -2.027 1.00 0.00 O ATOM 173 OE2 GLU A 11 -9.552 7.752 -3.067 1.00 0.00 O ATOM 0 H GLU A 11 -4.982 6.536 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.620 5.419 -2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.992 5.853 -5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.297 5.372 -4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.665 7.914 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.219 7.827 -5.190 1.00 0.00 H new ATOM 180 N GLN A 12 -5.760 3.302 -5.159 1.00 0.00 N ATOM 181 CA GLN A 12 -5.700 1.889 -5.509 1.00 0.00 C ATOM 182 C GLN A 12 -4.900 1.107 -4.473 1.00 0.00 C ATOM 183 O GLN A 12 -5.290 0.005 -4.084 1.00 0.00 O ATOM 184 CB GLN A 12 -5.088 1.706 -6.901 1.00 0.00 C ATOM 185 CG GLN A 12 -5.018 0.255 -7.357 1.00 0.00 C ATOM 186 CD GLN A 12 -4.482 0.112 -8.767 1.00 0.00 C ATOM 187 OE1 GLN A 12 -3.687 0.932 -9.229 1.00 0.00 O ATOM 188 NE2 GLN A 12 -4.916 -0.926 -9.466 1.00 0.00 N ATOM 0 H GLN A 12 -5.304 3.920 -5.830 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.718 1.500 -5.521 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.674 2.276 -7.623 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.082 2.127 -6.903 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.383 -0.307 -6.672 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.013 -0.187 -7.304 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.574 -1.583 -9.048 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.592 -1.068 -10.423 1.00 0.00 H new ATOM 197 N MET A 13 -3.791 1.682 -4.019 1.00 0.00 N ATOM 198 CA MET A 13 -2.964 1.043 -2.999 1.00 0.00 C ATOM 199 C MET A 13 -3.756 0.871 -1.706 1.00 0.00 C ATOM 200 O MET A 13 -3.649 -0.156 -1.033 1.00 0.00 O ATOM 201 CB MET A 13 -1.692 1.857 -2.740 1.00 0.00 C ATOM 202 CG MET A 13 -0.764 1.229 -1.710 1.00 0.00 C ATOM 203 SD MET A 13 0.794 2.121 -1.535 1.00 0.00 S ATOM 204 CE MET A 13 1.482 1.930 -3.175 1.00 0.00 C ATOM 0 H MET A 13 -3.444 2.586 -4.339 1.00 0.00 H new ATOM 0 HA MET A 13 -2.671 0.059 -3.364 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.151 1.977 -3.678 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.972 2.855 -2.403 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.269 1.197 -0.745 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.557 0.198 -1.996 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.555 2.118 -3.144 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.302 0.915 -3.529 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.009 2.640 -3.853 1.00 0.00 H new ATOM 214 N ILE A 14 -4.557 1.879 -1.374 1.00 0.00 N ATOM 215 CA ILE A 14 -5.440 1.808 -0.216 1.00 0.00 C ATOM 216 C ILE A 14 -6.412 0.641 -0.366 1.00 0.00 C ATOM 217 O ILE A 14 -6.528 -0.201 0.524 1.00 0.00 O ATOM 218 CB ILE A 14 -6.239 3.120 -0.027 1.00 0.00 C ATOM 219 CG1 ILE A 14 -5.290 4.292 0.239 1.00 0.00 C ATOM 220 CG2 ILE A 14 -7.247 2.984 1.109 1.00 0.00 C ATOM 221 CD1 ILE A 14 -5.988 5.628 0.380 1.00 0.00 C ATOM 0 H ILE A 14 -4.612 2.756 -1.892 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.815 1.658 0.664 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.788 3.318 -0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.726 4.090 1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.569 4.354 -0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -7.796 3.919 1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.945 2.178 0.881 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.721 2.757 2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.249 6.407 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.529 5.854 -0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.689 5.586 1.214 1.00 0.00 H new ATOM 233 N GLU A 15 -7.077 0.584 -1.515 1.00 0.00 N ATOM 234 CA GLU A 15 -8.061 -0.456 -1.795 1.00 0.00 C ATOM 235 C GLU A 15 -7.435 -1.846 -1.714 1.00 0.00 C ATOM 236 O GLU A 15 -7.997 -2.744 -1.095 1.00 0.00 O ATOM 237 CB GLU A 15 -8.664 -0.243 -3.182 1.00 0.00 C ATOM 238 CG GLU A 15 -9.812 -1.186 -3.497 1.00 0.00 C ATOM 239 CD GLU A 15 -10.174 -1.194 -4.965 1.00 0.00 C ATOM 240 OE1 GLU A 15 -10.723 -0.190 -5.455 1.00 0.00 O ATOM 241 OE2 GLU A 15 -9.915 -2.216 -5.636 1.00 0.00 O ATOM 0 H GLU A 15 -6.950 1.253 -2.274 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.845 -0.390 -1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.017 0.785 -3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.883 -0.371 -3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.543 -2.196 -3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.686 -0.896 -2.913 1.00 0.00 H new ATOM 248 N VAL A 16 -6.273 -2.016 -2.341 1.00 0.00 N ATOM 249 CA VAL A 16 -5.570 -3.298 -2.328 1.00 0.00 C ATOM 250 C VAL A 16 -5.249 -3.725 -0.900 1.00 0.00 C ATOM 251 O VAL A 16 -5.442 -4.884 -0.530 1.00 0.00 O ATOM 252 CB VAL A 16 -4.266 -3.249 -3.160 1.00 0.00 C ATOM 253 CG1 VAL A 16 -3.495 -4.556 -3.049 1.00 0.00 C ATOM 254 CG2 VAL A 16 -4.577 -2.949 -4.617 1.00 0.00 C ATOM 0 H VAL A 16 -5.797 -1.281 -2.865 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.237 -4.030 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.643 -2.450 -2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.584 -4.492 -3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.236 -4.738 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.112 -5.375 -3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.649 -2.918 -5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.225 -3.728 -5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.081 -1.985 -4.691 1.00 0.00 H new ATOM 264 N ALA A 17 -4.784 -2.781 -0.094 1.00 0.00 N ATOM 265 CA ALA A 17 -4.459 -3.063 1.297 1.00 0.00 C ATOM 266 C ALA A 17 -5.709 -3.463 2.074 1.00 0.00 C ATOM 267 O ALA A 17 -5.708 -4.453 2.807 1.00 0.00 O ATOM 268 CB ALA A 17 -3.798 -1.852 1.937 1.00 0.00 C ATOM 0 H ALA A 17 -4.624 -1.815 -0.379 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.760 -3.899 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.560 -2.075 2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.882 -1.611 1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.478 -1.001 1.895 1.00 0.00 H new ATOM 274 N GLU A 18 -6.776 -2.696 1.895 1.00 0.00 N ATOM 275 CA GLU A 18 -8.038 -2.959 2.558 1.00 0.00 C ATOM 276 C GLU A 18 -8.630 -4.298 2.119 1.00 0.00 C ATOM 277 O GLU A 18 -9.126 -5.066 2.944 1.00 0.00 O ATOM 278 CB GLU A 18 -9.005 -1.816 2.270 1.00 0.00 C ATOM 279 CG GLU A 18 -8.593 -0.511 2.924 1.00 0.00 C ATOM 280 CD GLU A 18 -9.684 0.537 2.887 1.00 0.00 C ATOM 281 OE1 GLU A 18 -10.095 0.940 1.780 1.00 0.00 O ATOM 282 OE2 GLU A 18 -10.146 0.954 3.972 1.00 0.00 O ATOM 0 H GLU A 18 -6.787 -1.877 1.287 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.864 -3.022 3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.075 -1.670 1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.000 -2.093 2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.315 -0.702 3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.707 -0.123 2.422 1.00 0.00 H new ATOM 289 N LYS A 19 -8.563 -4.581 0.823 1.00 0.00 N ATOM 290 CA LYS A 19 -9.058 -5.846 0.288 1.00 0.00 C ATOM 291 C LYS A 19 -8.184 -7.007 0.742 1.00 0.00 C ATOM 292 O LYS A 19 -8.673 -8.116 0.954 1.00 0.00 O ATOM 293 CB LYS A 19 -9.132 -5.801 -1.241 1.00 0.00 C ATOM 294 CG LYS A 19 -10.315 -5.004 -1.767 1.00 0.00 C ATOM 295 CD LYS A 19 -10.349 -4.988 -3.285 1.00 0.00 C ATOM 296 CE LYS A 19 -11.627 -4.347 -3.807 1.00 0.00 C ATOM 297 NZ LYS A 19 -11.608 -4.203 -5.287 1.00 0.00 N ATOM 0 H LYS A 19 -8.171 -3.952 0.122 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.065 -6.001 0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.210 -5.367 -1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.191 -6.820 -1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.242 -5.434 -1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.261 -3.982 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.485 -4.441 -3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.271 -6.008 -3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.484 -4.952 -3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.756 -3.367 -3.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.456 -3.687 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.758 -3.676 -5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.596 -5.145 -5.727 1.00 0.00 H new ATOM 311 N GLY A 20 -6.891 -6.746 0.894 1.00 0.00 N ATOM 312 CA GLY A 20 -5.988 -7.753 1.414 1.00 0.00 C ATOM 313 C GLY A 20 -6.283 -8.069 2.866 1.00 0.00 C ATOM 314 O GLY A 20 -6.250 -9.228 3.279 1.00 0.00 O ATOM 0 H GLY A 20 -6.452 -5.854 0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.074 -8.662 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.960 -7.405 1.318 1.00 0.00 H new ATOM 318 N ALA A 21 -6.583 -7.030 3.639 1.00 0.00 N ATOM 319 CA ALA A 21 -6.965 -7.196 5.034 1.00 0.00 C ATOM 320 C ALA A 21 -8.288 -7.946 5.139 1.00 0.00 C ATOM 321 O ALA A 21 -8.454 -8.826 5.983 1.00 0.00 O ATOM 322 CB ALA A 21 -7.062 -5.842 5.726 1.00 0.00 C ATOM 0 H ALA A 21 -6.568 -6.061 3.320 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.195 -7.783 5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.349 -5.986 6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.095 -5.340 5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.812 -5.230 5.225 1.00 0.00 H new ATOM 328 N ASP A 22 -9.220 -7.596 4.264 1.00 0.00 N ATOM 329 CA ASP A 22 -10.515 -8.267 4.197 1.00 0.00 C ATOM 330 C ASP A 22 -10.338 -9.740 3.833 1.00 0.00 C ATOM 331 O ASP A 22 -11.026 -10.614 4.360 1.00 0.00 O ATOM 332 CB ASP A 22 -11.408 -7.573 3.165 1.00 0.00 C ATOM 333 CG ASP A 22 -12.777 -8.210 3.049 1.00 0.00 C ATOM 334 OD1 ASP A 22 -13.678 -7.839 3.833 1.00 0.00 O ATOM 335 OD2 ASP A 22 -12.965 -9.070 2.165 1.00 0.00 O ATOM 0 H ASP A 22 -9.104 -6.845 3.584 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.989 -8.209 5.177 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.523 -6.524 3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.917 -7.598 2.192 1.00 0.00 H new ATOM 340 N ARG A 23 -9.391 -10.006 2.944 1.00 0.00 N ATOM 341 CA ARG A 23 -9.102 -11.364 2.504 1.00 0.00 C ATOM 342 C ARG A 23 -8.438 -12.170 3.620 1.00 0.00 C ATOM 343 O ARG A 23 -8.666 -13.373 3.750 1.00 0.00 O ATOM 344 CB ARG A 23 -8.218 -11.319 1.257 1.00 0.00 C ATOM 345 CG ARG A 23 -7.908 -12.682 0.661 1.00 0.00 C ATOM 346 CD ARG A 23 -7.344 -12.555 -0.747 1.00 0.00 C ATOM 347 NE ARG A 23 -8.370 -12.159 -1.719 1.00 0.00 N ATOM 348 CZ ARG A 23 -8.130 -11.937 -3.014 1.00 0.00 C ATOM 349 NH1 ARG A 23 -6.886 -11.950 -3.478 1.00 0.00 N ATOM 350 NH2 ARG A 23 -9.135 -11.673 -3.840 1.00 0.00 N ATOM 0 H ARG A 23 -8.805 -9.292 2.510 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.038 -11.864 2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.709 -10.707 0.500 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.280 -10.823 1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.192 -13.205 1.296 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.815 -13.286 0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.539 -11.820 -0.750 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.907 -13.507 -1.049 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.327 -12.046 -1.384 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.107 -12.130 -2.844 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.709 -11.780 -4.468 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.091 -11.640 -3.486 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.951 -11.503 -4.829 1.00 0.00 H new ATOM 364 N TYR A 24 -7.626 -11.502 4.429 1.00 0.00 N ATOM 365 CA TYR A 24 -7.021 -12.133 5.598 1.00 0.00 C ATOM 366 C TYR A 24 -8.092 -12.372 6.661 1.00 0.00 C ATOM 367 O TYR A 24 -8.069 -13.375 7.377 1.00 0.00 O ATOM 368 CB TYR A 24 -5.897 -11.249 6.158 1.00 0.00 C ATOM 369 CG TYR A 24 -5.122 -11.872 7.300 1.00 0.00 C ATOM 370 CD1 TYR A 24 -4.037 -12.704 7.056 1.00 0.00 C ATOM 371 CD2 TYR A 24 -5.469 -11.620 8.623 1.00 0.00 C ATOM 372 CE1 TYR A 24 -3.321 -13.267 8.095 1.00 0.00 C ATOM 373 CE2 TYR A 24 -4.758 -12.179 9.667 1.00 0.00 C ATOM 374 CZ TYR A 24 -3.686 -13.001 9.398 1.00 0.00 C ATOM 375 OH TYR A 24 -2.971 -13.557 10.434 1.00 0.00 O ATOM 0 H TYR A 24 -7.370 -10.523 4.298 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.590 -13.091 5.306 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.203 -11.010 5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.327 -10.307 6.498 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.748 -12.914 6.037 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.309 -10.976 8.838 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.480 -13.912 7.888 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.041 -11.973 10.689 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.040 -13.685 10.157 1.00 0.00 H new ATOM 385 N GLN A 25 -9.035 -11.439 6.738 1.00 0.00 N ATOM 386 CA GLN A 25 -10.167 -11.537 7.652 1.00 0.00 C ATOM 387 C GLN A 25 -11.035 -12.743 7.303 1.00 0.00 C ATOM 388 O GLN A 25 -11.472 -13.483 8.182 1.00 0.00 O ATOM 389 CB GLN A 25 -10.987 -10.245 7.586 1.00 0.00 C ATOM 390 CG GLN A 25 -12.332 -10.320 8.289 1.00 0.00 C ATOM 391 CD GLN A 25 -13.132 -9.040 8.144 1.00 0.00 C ATOM 392 OE1 GLN A 25 -13.073 -8.152 8.995 1.00 0.00 O ATOM 393 NE2 GLN A 25 -13.874 -8.930 7.053 1.00 0.00 N ATOM 0 H GLN A 25 -9.036 -10.593 6.168 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.796 -11.673 8.668 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.405 -9.436 8.027 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.151 -9.986 6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.906 -11.152 7.881 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.175 -10.529 9.347 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.895 -9.689 6.372 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.424 -8.086 6.893 1.00 0.00 H new ATOM 635 N LYS A 41 2.606 -14.486 -7.685 1.00 0.00 N ATOM 636 CA LYS A 41 3.334 -14.316 -8.937 1.00 0.00 C ATOM 637 C LYS A 41 2.975 -12.980 -9.608 1.00 0.00 C ATOM 638 O LYS A 41 3.847 -12.133 -9.778 1.00 0.00 O ATOM 639 CB LYS A 41 3.093 -15.503 -9.892 1.00 0.00 C ATOM 640 CG LYS A 41 3.608 -15.270 -11.302 1.00 0.00 C ATOM 641 CD LYS A 41 3.026 -16.274 -12.282 1.00 0.00 C ATOM 642 CE LYS A 41 3.395 -15.926 -13.712 1.00 0.00 C ATOM 643 NZ LYS A 41 2.668 -16.776 -14.690 1.00 0.00 N ATOM 0 HA LYS A 41 4.398 -14.295 -8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.574 -16.391 -9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.024 -15.711 -9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.353 -14.259 -11.621 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.696 -15.342 -11.309 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.391 -17.273 -12.043 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.941 -16.298 -12.180 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.167 -14.877 -13.902 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.469 -16.049 -13.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.946 -16.509 -15.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.905 -17.775 -14.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.643 -16.640 -14.574 1.00 0.00 H new ATOM 657 N PRO A 42 1.689 -12.732 -9.967 1.00 0.00 N ATOM 658 CA PRO A 42 1.313 -11.524 -10.710 1.00 0.00 C ATOM 659 C PRO A 42 1.299 -10.283 -9.823 1.00 0.00 C ATOM 660 O PRO A 42 1.939 -9.278 -10.129 1.00 0.00 O ATOM 661 CB PRO A 42 -0.103 -11.827 -11.229 1.00 0.00 C ATOM 662 CG PRO A 42 -0.381 -13.249 -10.857 1.00 0.00 C ATOM 663 CD PRO A 42 0.504 -13.556 -9.686 1.00 0.00 C ATOM 0 HA PRO A 42 2.026 -11.305 -11.505 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.835 -11.156 -10.780 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.162 -11.687 -12.308 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.431 -13.385 -10.598 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.169 -13.918 -11.691 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.035 -13.286 -8.740 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.750 -14.616 -9.629 1.00 0.00 H new ATOM 671 N ALA A 43 0.583 -10.379 -8.707 1.00 0.00 N ATOM 672 CA ALA A 43 0.440 -9.263 -7.779 1.00 0.00 C ATOM 673 C ALA A 43 1.790 -8.833 -7.224 1.00 0.00 C ATOM 674 O ALA A 43 2.064 -7.646 -7.098 1.00 0.00 O ATOM 675 CB ALA A 43 -0.503 -9.640 -6.645 1.00 0.00 C ATOM 0 H ALA A 43 0.090 -11.225 -8.422 1.00 0.00 H new ATOM 0 HA ALA A 43 0.018 -8.420 -8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.602 -8.799 -5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.482 -9.891 -7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.102 -10.500 -6.109 1.00 0.00 H new ATOM 681 N VAL A 44 2.640 -9.808 -6.924 1.00 0.00 N ATOM 682 CA VAL A 44 3.952 -9.529 -6.351 1.00 0.00 C ATOM 683 C VAL A 44 4.754 -8.598 -7.253 1.00 0.00 C ATOM 684 O VAL A 44 5.320 -7.609 -6.792 1.00 0.00 O ATOM 685 CB VAL A 44 4.752 -10.827 -6.123 1.00 0.00 C ATOM 686 CG1 VAL A 44 6.102 -10.531 -5.480 1.00 0.00 C ATOM 687 CG2 VAL A 44 3.951 -11.794 -5.270 1.00 0.00 C ATOM 0 H VAL A 44 2.445 -10.799 -7.068 1.00 0.00 H new ATOM 0 HA VAL A 44 3.785 -9.044 -5.390 1.00 0.00 H new ATOM 0 HB VAL A 44 4.939 -11.290 -7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.646 -11.464 -5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.679 -9.875 -6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.947 -10.043 -4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.527 -12.707 -5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.734 -11.335 -4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.016 -12.036 -5.775 1.00 0.00 H new ATOM 697 N GLU A 45 4.771 -8.906 -8.543 1.00 0.00 N ATOM 698 CA GLU A 45 5.525 -8.122 -9.503 1.00 0.00 C ATOM 699 C GLU A 45 4.881 -6.760 -9.740 1.00 0.00 C ATOM 700 O GLU A 45 5.568 -5.736 -9.755 1.00 0.00 O ATOM 701 CB GLU A 45 5.643 -8.889 -10.814 1.00 0.00 C ATOM 702 CG GLU A 45 6.429 -10.182 -10.682 1.00 0.00 C ATOM 703 CD GLU A 45 6.859 -10.749 -12.016 1.00 0.00 C ATOM 704 OE1 GLU A 45 6.095 -11.530 -12.617 1.00 0.00 O ATOM 705 OE2 GLU A 45 7.979 -10.423 -12.463 1.00 0.00 O ATOM 0 H GLU A 45 4.268 -9.697 -8.946 1.00 0.00 H new ATOM 0 HA GLU A 45 6.521 -7.948 -9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.644 -9.115 -11.186 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.124 -8.253 -11.557 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.311 -10.004 -10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.820 -10.919 -10.159 1.00 0.00 H new ATOM 712 N GLU A 46 3.566 -6.751 -9.922 1.00 0.00 N ATOM 713 CA GLU A 46 2.833 -5.526 -10.158 1.00 0.00 C ATOM 714 C GLU A 46 2.948 -4.561 -8.984 1.00 0.00 C ATOM 715 O GLU A 46 3.309 -3.399 -9.170 1.00 0.00 O ATOM 716 CB GLU A 46 1.370 -5.843 -10.424 1.00 0.00 C ATOM 717 CG GLU A 46 1.112 -6.438 -11.796 1.00 0.00 C ATOM 718 CD GLU A 46 -0.364 -6.536 -12.109 1.00 0.00 C ATOM 719 OE1 GLU A 46 -1.021 -5.478 -12.225 1.00 0.00 O ATOM 720 OE2 GLU A 46 -0.875 -7.666 -12.251 1.00 0.00 O ATOM 0 H GLU A 46 2.986 -7.590 -9.909 1.00 0.00 H new ATOM 0 HA GLU A 46 3.270 -5.041 -11.030 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.015 -6.539 -9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.785 -4.929 -10.319 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.602 -5.826 -12.553 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.559 -7.430 -11.849 1.00 0.00 H new ATOM 727 N ASN A 47 2.647 -5.044 -7.783 1.00 0.00 N ATOM 728 CA ASN A 47 2.673 -4.204 -6.588 1.00 0.00 C ATOM 729 C ASN A 47 4.083 -3.716 -6.281 1.00 0.00 C ATOM 730 O ASN A 47 4.253 -2.648 -5.694 1.00 0.00 O ATOM 731 CB ASN A 47 2.089 -4.943 -5.380 1.00 0.00 C ATOM 732 CG ASN A 47 0.576 -5.062 -5.447 1.00 0.00 C ATOM 733 OD1 ASN A 47 0.034 -6.037 -5.960 1.00 0.00 O ATOM 734 ND2 ASN A 47 -0.118 -4.060 -4.930 1.00 0.00 N ATOM 0 H ASN A 47 2.382 -6.014 -7.610 1.00 0.00 H new ATOM 0 HA ASN A 47 2.051 -3.333 -6.792 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.526 -5.940 -5.322 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.369 -4.418 -4.467 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.138 -4.082 -4.950 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.367 -3.266 -4.512 1.00 0.00 H new ATOM 741 N ASP A 48 5.088 -4.490 -6.680 1.00 0.00 N ATOM 742 CA ASP A 48 6.483 -4.070 -6.539 1.00 0.00 C ATOM 743 C ASP A 48 6.729 -2.784 -7.321 1.00 0.00 C ATOM 744 O ASP A 48 7.189 -1.787 -6.764 1.00 0.00 O ATOM 745 CB ASP A 48 7.436 -5.171 -7.017 1.00 0.00 C ATOM 746 CG ASP A 48 8.863 -4.682 -7.205 1.00 0.00 C ATOM 747 OD1 ASP A 48 9.587 -4.515 -6.201 1.00 0.00 O ATOM 748 OD2 ASP A 48 9.274 -4.485 -8.367 1.00 0.00 O ATOM 0 H ASP A 48 4.965 -5.410 -7.103 1.00 0.00 H new ATOM 0 HA ASP A 48 6.678 -3.884 -5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.430 -5.988 -6.295 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.070 -5.577 -7.960 1.00 0.00 H new ATOM 753 N GLU A 49 6.388 -2.805 -8.607 1.00 0.00 N ATOM 754 CA GLU A 49 6.539 -1.631 -9.460 1.00 0.00 C ATOM 755 C GLU A 49 5.557 -0.541 -9.047 1.00 0.00 C ATOM 756 O GLU A 49 5.866 0.648 -9.119 1.00 0.00 O ATOM 757 CB GLU A 49 6.314 -1.997 -10.926 1.00 0.00 C ATOM 758 CG GLU A 49 7.248 -3.078 -11.439 1.00 0.00 C ATOM 759 CD GLU A 49 7.003 -3.398 -12.897 1.00 0.00 C ATOM 760 OE1 GLU A 49 5.989 -4.062 -13.201 1.00 0.00 O ATOM 761 OE2 GLU A 49 7.822 -2.991 -13.747 1.00 0.00 O ATOM 0 H GLU A 49 6.005 -3.623 -9.081 1.00 0.00 H new ATOM 0 HA GLU A 49 7.556 -1.257 -9.342 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.284 -2.330 -11.054 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.438 -1.103 -11.537 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.281 -2.756 -11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.118 -3.981 -10.843 1.00 0.00 H new ATOM 768 N LEU A 50 4.377 -0.961 -8.609 1.00 0.00 N ATOM 769 CA LEU A 50 3.342 -0.042 -8.156 1.00 0.00 C ATOM 770 C LEU A 50 3.864 0.806 -7.007 1.00 0.00 C ATOM 771 O LEU A 50 3.811 2.034 -7.046 1.00 0.00 O ATOM 772 CB LEU A 50 2.112 -0.825 -7.693 1.00 0.00 C ATOM 773 CG LEU A 50 0.822 -0.018 -7.573 1.00 0.00 C ATOM 774 CD1 LEU A 50 0.298 0.348 -8.951 1.00 0.00 C ATOM 775 CD2 LEU A 50 -0.220 -0.800 -6.789 1.00 0.00 C ATOM 0 H LEU A 50 4.112 -1.945 -8.558 1.00 0.00 H new ATOM 0 HA LEU A 50 3.064 0.608 -8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.942 -1.645 -8.390 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.332 -1.271 -6.723 1.00 0.00 H new ATOM 0 HG LEU A 50 1.035 0.904 -7.032 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.622 0.923 -8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.043 0.945 -9.477 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.097 -0.561 -9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.134 -0.212 -6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.434 -1.737 -7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.160 -1.012 -5.790 1.00 0.00 H new ATOM 787 N ALA A 51 4.384 0.130 -5.991 1.00 0.00 N ATOM 788 CA ALA A 51 4.935 0.801 -4.825 1.00 0.00 C ATOM 789 C ALA A 51 6.209 1.559 -5.178 1.00 0.00 C ATOM 790 O ALA A 51 6.493 2.606 -4.603 1.00 0.00 O ATOM 791 CB ALA A 51 5.203 -0.205 -3.717 1.00 0.00 C ATOM 0 H ALA A 51 4.435 -0.888 -5.953 1.00 0.00 H new ATOM 0 HA ALA A 51 4.202 1.526 -4.472 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.615 0.310 -2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.271 -0.696 -3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.915 -0.952 -4.068 1.00 0.00 H new ATOM 797 N ALA A 52 6.976 1.028 -6.126 1.00 0.00 N ATOM 798 CA ALA A 52 8.191 1.690 -6.587 1.00 0.00 C ATOM 799 C ALA A 52 7.864 3.035 -7.231 1.00 0.00 C ATOM 800 O ALA A 52 8.464 4.058 -6.895 1.00 0.00 O ATOM 801 CB ALA A 52 8.945 0.801 -7.567 1.00 0.00 C ATOM 0 H ALA A 52 6.777 0.141 -6.589 1.00 0.00 H new ATOM 0 HA ALA A 52 8.829 1.871 -5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.849 1.311 -7.900 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.216 -0.134 -7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.310 0.588 -8.427 1.00 0.00 H new ATOM 807 N ARG A 53 6.904 3.027 -8.150 1.00 0.00 N ATOM 808 CA ARG A 53 6.473 4.242 -8.823 1.00 0.00 C ATOM 809 C ARG A 53 5.803 5.188 -7.836 1.00 0.00 C ATOM 810 O ARG A 53 5.984 6.404 -7.908 1.00 0.00 O ATOM 811 CB ARG A 53 5.516 3.890 -9.962 1.00 0.00 C ATOM 812 CG ARG A 53 5.972 4.407 -11.314 1.00 0.00 C ATOM 813 CD ARG A 53 5.908 5.926 -11.386 1.00 0.00 C ATOM 814 NE ARG A 53 6.562 6.441 -12.586 1.00 0.00 N ATOM 815 CZ ARG A 53 6.153 7.507 -13.273 1.00 0.00 C ATOM 816 NH1 ARG A 53 5.079 8.191 -12.887 1.00 0.00 N ATOM 817 NH2 ARG A 53 6.826 7.886 -14.351 1.00 0.00 N ATOM 0 H ARG A 53 6.408 2.186 -8.445 1.00 0.00 H new ATOM 0 HA ARG A 53 7.346 4.746 -9.238 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.407 2.807 -10.013 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.531 4.299 -9.738 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.993 4.076 -11.505 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.347 3.979 -12.097 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.866 6.247 -11.374 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.383 6.352 -10.502 1.00 0.00 H new ATOM 0 HE ARG A 53 7.390 5.950 -12.922 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.560 7.901 -12.058 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.774 9.006 -13.420 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.650 7.363 -14.648 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.520 8.701 -14.883 1.00 0.00 H new ATOM 831 N TRP A 54 5.036 4.619 -6.912 1.00 0.00 N ATOM 832 CA TRP A 54 4.369 5.409 -5.889 1.00 0.00 C ATOM 833 C TRP A 54 5.395 6.103 -5.005 1.00 0.00 C ATOM 834 O TRP A 54 5.259 7.284 -4.701 1.00 0.00 O ATOM 835 CB TRP A 54 3.447 4.530 -5.038 1.00 0.00 C ATOM 836 CG TRP A 54 2.611 5.313 -4.066 1.00 0.00 C ATOM 837 CD1 TRP A 54 1.429 5.946 -4.328 1.00 0.00 C ATOM 838 CD2 TRP A 54 2.889 5.539 -2.678 1.00 0.00 C ATOM 839 NE1 TRP A 54 0.960 6.558 -3.192 1.00 0.00 N ATOM 840 CE2 TRP A 54 1.835 6.322 -2.165 1.00 0.00 C ATOM 841 CE3 TRP A 54 3.926 5.157 -1.820 1.00 0.00 C ATOM 842 CZ2 TRP A 54 1.790 6.727 -0.834 1.00 0.00 C ATOM 843 CZ3 TRP A 54 3.878 5.562 -0.498 1.00 0.00 C ATOM 844 CH2 TRP A 54 2.818 6.340 -0.017 1.00 0.00 C ATOM 0 H TRP A 54 4.862 3.616 -6.852 1.00 0.00 H new ATOM 0 HA TRP A 54 3.761 6.166 -6.385 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.790 3.961 -5.696 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.051 3.808 -4.488 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.936 5.963 -5.289 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.099 7.101 -3.124 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.748 4.558 -2.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.973 7.325 -0.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.672 5.273 0.175 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.811 6.641 1.020 1.00 0.00 H new ATOM 855 N ALA A 55 6.431 5.368 -4.615 1.00 0.00 N ATOM 856 CA ALA A 55 7.496 5.921 -3.789 1.00 0.00 C ATOM 857 C ALA A 55 8.178 7.090 -4.489 1.00 0.00 C ATOM 858 O ALA A 55 8.347 8.156 -3.905 1.00 0.00 O ATOM 859 CB ALA A 55 8.510 4.843 -3.441 1.00 0.00 C ATOM 0 H ALA A 55 6.555 4.385 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 55 7.052 6.293 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.299 5.272 -2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.015 4.042 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.943 4.442 -4.357 1.00 0.00 H new ATOM 865 N GLU A 56 8.545 6.887 -5.748 1.00 0.00 N ATOM 866 CA GLU A 56 9.205 7.914 -6.534 1.00 0.00 C ATOM 867 C GLU A 56 8.317 9.147 -6.691 1.00 0.00 C ATOM 868 O GLU A 56 8.784 10.284 -6.577 1.00 0.00 O ATOM 869 CB GLU A 56 9.578 7.341 -7.891 1.00 0.00 C ATOM 870 CG GLU A 56 11.024 6.883 -7.971 1.00 0.00 C ATOM 871 CD GLU A 56 12.006 8.041 -7.975 1.00 0.00 C ATOM 872 OE1 GLU A 56 12.308 8.582 -6.891 1.00 0.00 O ATOM 873 OE2 GLU A 56 12.476 8.420 -9.071 1.00 0.00 O ATOM 0 H GLU A 56 8.394 6.011 -6.248 1.00 0.00 H new ATOM 0 HA GLU A 56 10.109 8.231 -6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.924 6.498 -8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.400 8.095 -8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.241 6.230 -7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.164 6.290 -8.875 1.00 0.00 H new ATOM 880 N GLY A 57 7.035 8.912 -6.944 1.00 0.00 N ATOM 881 CA GLY A 57 6.088 10.001 -7.072 1.00 0.00 C ATOM 882 C GLY A 57 5.856 10.716 -5.755 1.00 0.00 C ATOM 883 O GLY A 57 5.805 11.943 -5.708 1.00 0.00 O ATOM 0 H GLY A 57 6.634 7.982 -7.063 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.454 10.714 -7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.140 9.614 -7.445 1.00 0.00 H new ATOM 887 N ALA A 58 5.724 9.946 -4.680 1.00 0.00 N ATOM 888 CA ALA A 58 5.522 10.510 -3.350 1.00 0.00 C ATOM 889 C ALA A 58 6.744 11.311 -2.914 1.00 0.00 C ATOM 890 O ALA A 58 6.614 12.344 -2.260 1.00 0.00 O ATOM 891 CB ALA A 58 5.211 9.414 -2.340 1.00 0.00 C ATOM 0 H ALA A 58 5.753 8.927 -4.704 1.00 0.00 H new ATOM 0 HA ALA A 58 4.667 11.185 -3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.064 9.858 -1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.304 8.889 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.042 8.709 -2.300 1.00 0.00 H new ATOM 897 N LEU A 59 7.928 10.831 -3.289 1.00 0.00 N ATOM 898 CA LEU A 59 9.170 11.539 -3.027 1.00 0.00 C ATOM 899 C LEU A 59 9.179 12.891 -3.729 1.00 0.00 C ATOM 900 O LEU A 59 9.741 13.860 -3.225 1.00 0.00 O ATOM 901 CB LEU A 59 10.349 10.694 -3.501 1.00 0.00 C ATOM 902 CG LEU A 59 10.743 9.535 -2.582 1.00 0.00 C ATOM 903 CD1 LEU A 59 11.897 8.748 -3.184 1.00 0.00 C ATOM 904 CD2 LEU A 59 11.114 10.054 -1.200 1.00 0.00 C ATOM 0 H LEU A 59 8.049 9.945 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 59 9.256 11.712 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.111 10.289 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.214 11.346 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 59 9.887 8.868 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.165 7.928 -2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.598 8.346 -4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.757 9.405 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.391 9.217 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.956 10.742 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.261 10.576 -0.766 1.00 0.00 H new ATOM 916 N GLU A 60 8.559 12.940 -4.899 1.00 0.00 N ATOM 917 CA GLU A 60 8.402 14.187 -5.636 1.00 0.00 C ATOM 918 C GLU A 60 7.390 15.088 -4.926 1.00 0.00 C ATOM 919 O GLU A 60 7.608 16.289 -4.767 1.00 0.00 O ATOM 920 CB GLU A 60 7.939 13.894 -7.066 1.00 0.00 C ATOM 921 CG GLU A 60 7.968 15.108 -7.986 1.00 0.00 C ATOM 922 CD GLU A 60 9.366 15.662 -8.187 1.00 0.00 C ATOM 923 OE1 GLU A 60 10.103 15.136 -9.047 1.00 0.00 O ATOM 924 OE2 GLU A 60 9.730 16.639 -7.506 1.00 0.00 O ATOM 0 H GLU A 60 8.154 12.126 -5.361 1.00 0.00 H new ATOM 0 HA GLU A 60 9.362 14.701 -5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.572 13.114 -7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.924 13.498 -7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.548 14.834 -8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.330 15.888 -7.571 1.00 0.00 H new ATOM 931 N LEU A 61 6.290 14.488 -4.483 1.00 0.00 N ATOM 932 CA LEU A 61 5.238 15.222 -3.785 1.00 0.00 C ATOM 933 C LEU A 61 5.747 15.832 -2.482 1.00 0.00 C ATOM 934 O LEU A 61 5.516 17.010 -2.215 1.00 0.00 O ATOM 935 CB LEU A 61 4.035 14.310 -3.506 1.00 0.00 C ATOM 936 CG LEU A 61 2.891 14.392 -4.525 1.00 0.00 C ATOM 937 CD1 LEU A 61 2.257 15.774 -4.505 1.00 0.00 C ATOM 938 CD2 LEU A 61 3.383 14.056 -5.925 1.00 0.00 C ATOM 0 H LEU A 61 6.103 13.492 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 61 4.922 16.037 -4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.386 13.279 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.638 14.553 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 61 2.136 13.658 -4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.448 15.814 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.860 15.978 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.008 16.523 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.553 14.122 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.161 14.761 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.788 13.044 -5.935 1.00 0.00 H new ATOM 950 N ILE A 62 6.455 15.046 -1.677 1.00 0.00 N ATOM 951 CA ILE A 62 6.975 15.541 -0.402 1.00 0.00 C ATOM 952 C ILE A 62 8.161 16.476 -0.622 1.00 0.00 C ATOM 953 O ILE A 62 8.606 17.162 0.297 1.00 0.00 O ATOM 954 CB ILE A 62 7.392 14.400 0.550 1.00 0.00 C ATOM 955 CG1 ILE A 62 8.510 13.552 -0.066 1.00 0.00 C ATOM 956 CG2 ILE A 62 6.186 13.535 0.889 1.00 0.00 C ATOM 957 CD1 ILE A 62 9.010 12.448 0.843 1.00 0.00 C ATOM 0 H ILE A 62 6.682 14.072 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 62 6.159 16.089 0.068 1.00 0.00 H new ATOM 0 HB ILE A 62 7.776 14.842 1.469 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.149 13.110 -0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.345 14.202 -0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.491 12.733 1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.425 14.146 1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.777 13.106 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.800 11.891 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.403 12.883 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.188 11.774 1.083 1.00 0.00 H new ATOM 969 N LYS A 63 8.667 16.493 -1.844 1.00 0.00 N ATOM 970 CA LYS A 63 9.724 17.415 -2.227 1.00 0.00 C ATOM 971 C LYS A 63 9.127 18.802 -2.454 1.00 0.00 C ATOM 972 O LYS A 63 9.752 19.821 -2.164 1.00 0.00 O ATOM 973 CB LYS A 63 10.431 16.879 -3.486 1.00 0.00 C ATOM 974 CG LYS A 63 11.376 17.849 -4.191 1.00 0.00 C ATOM 975 CD LYS A 63 10.626 18.768 -5.149 1.00 0.00 C ATOM 976 CE LYS A 63 11.511 19.239 -6.284 1.00 0.00 C ATOM 977 NZ LYS A 63 11.955 18.104 -7.130 1.00 0.00 N ATOM 0 H LYS A 63 8.360 15.873 -2.594 1.00 0.00 H new ATOM 0 HA LYS A 63 10.467 17.498 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.997 15.989 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.669 16.563 -4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.903 18.449 -3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.131 17.287 -4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.762 18.242 -5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.246 19.631 -4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.969 19.960 -6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.381 19.755 -5.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.032 18.417 -8.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.882 17.767 -6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.263 17.331 -7.065 1.00 0.00 H new ATOM 991 N VAL A 64 7.902 18.822 -2.957 1.00 0.00 N ATOM 992 CA VAL A 64 7.205 20.068 -3.234 1.00 0.00 C ATOM 993 C VAL A 64 6.423 20.543 -2.012 1.00 0.00 C ATOM 994 O VAL A 64 6.529 21.701 -1.600 1.00 0.00 O ATOM 995 CB VAL A 64 6.234 19.909 -4.426 1.00 0.00 C ATOM 996 CG1 VAL A 64 5.514 21.215 -4.708 1.00 0.00 C ATOM 997 CG2 VAL A 64 6.972 19.430 -5.666 1.00 0.00 C ATOM 0 H VAL A 64 7.367 17.983 -3.183 1.00 0.00 H new ATOM 0 HA VAL A 64 7.962 20.811 -3.486 1.00 0.00 H new ATOM 0 HB VAL A 64 5.492 19.157 -4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.835 21.082 -5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.945 21.514 -3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.244 21.988 -4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.267 19.326 -6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.741 20.155 -5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.438 18.466 -5.462 1.00 0.00 H new ATOM 1007 N ARG A 65 5.650 19.640 -1.429 1.00 0.00 N ATOM 1008 CA ARG A 65 4.790 19.971 -0.298 1.00 0.00 C ATOM 1009 C ARG A 65 5.555 19.989 1.015 1.00 0.00 C ATOM 1010 O ARG A 65 5.234 20.774 1.907 1.00 0.00 O ATOM 1011 CB ARG A 65 3.641 18.966 -0.195 1.00 0.00 C ATOM 1012 CG ARG A 65 2.587 19.107 -1.280 1.00 0.00 C ATOM 1013 CD ARG A 65 1.773 20.380 -1.107 1.00 0.00 C ATOM 1014 NE ARG A 65 2.536 21.587 -1.431 1.00 0.00 N ATOM 1015 CZ ARG A 65 2.065 22.825 -1.292 1.00 0.00 C ATOM 1016 NH1 ARG A 65 0.830 23.019 -0.845 1.00 0.00 N ATOM 1017 NH2 ARG A 65 2.824 23.869 -1.619 1.00 0.00 N ATOM 0 H ARG A 65 5.599 18.664 -1.722 1.00 0.00 H new ATOM 0 HA ARG A 65 4.398 20.972 -0.477 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.052 17.957 -0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.162 19.078 0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.069 19.112 -2.258 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.922 18.243 -1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.890 20.331 -1.744 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.420 20.444 -0.078 1.00 0.00 H new ATOM 0 HE ARG A 65 3.486 21.473 -1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.242 22.220 -0.608 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.469 23.967 -0.738 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.768 23.721 -1.977 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.462 24.816 -1.512 1.00 0.00 H new ATOM 1031 N ARG A 66 6.571 19.130 1.108 1.00 0.00 N ATOM 1032 CA ARG A 66 7.280 18.869 2.363 1.00 0.00 C ATOM 1033 C ARG A 66 6.398 18.063 3.313 1.00 0.00 C ATOM 1034 O ARG A 66 5.198 18.306 3.420 1.00 0.00 O ATOM 1035 CB ARG A 66 7.779 20.160 3.035 1.00 0.00 C ATOM 1036 CG ARG A 66 9.221 20.503 2.698 1.00 0.00 C ATOM 1037 CD ARG A 66 9.431 20.676 1.203 1.00 0.00 C ATOM 1038 NE ARG A 66 10.847 20.817 0.867 1.00 0.00 N ATOM 1039 CZ ARG A 66 11.318 21.691 -0.024 1.00 0.00 C ATOM 1040 NH1 ARG A 66 10.483 22.495 -0.670 1.00 0.00 N ATOM 1041 NH2 ARG A 66 12.623 21.752 -0.274 1.00 0.00 N ATOM 0 H ARG A 66 6.926 18.595 0.316 1.00 0.00 H new ATOM 0 HA ARG A 66 8.165 18.282 2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.137 20.988 2.734 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.682 20.058 4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.505 21.421 3.213 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.877 19.715 3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.016 19.817 0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.886 21.555 0.859 1.00 0.00 H new ATOM 0 HE ARG A 66 11.515 20.210 1.343 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.481 22.445 -0.485 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.843 23.163 -1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.266 21.130 0.216 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.981 22.421 -0.956 1.00 0.00 H new ATOM 1055 N PRO A 67 6.986 17.067 3.989 1.00 0.00 N ATOM 1056 CA PRO A 67 6.250 16.169 4.890 1.00 0.00 C ATOM 1057 C PRO A 67 5.583 16.913 6.048 1.00 0.00 C ATOM 1058 O PRO A 67 6.246 17.335 6.997 1.00 0.00 O ATOM 1059 CB PRO A 67 7.333 15.218 5.417 1.00 0.00 C ATOM 1060 CG PRO A 67 8.451 15.320 4.438 1.00 0.00 C ATOM 1061 CD PRO A 67 8.417 16.730 3.931 1.00 0.00 C ATOM 0 HA PRO A 67 5.434 15.663 4.374 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.657 15.506 6.417 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.961 14.196 5.485 1.00 0.00 H new ATOM 0 HG2 PRO A 67 9.407 15.097 4.911 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.324 14.607 3.623 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.014 17.397 4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.808 16.804 2.916 1.00 0.00 H new ATOM 1069 N LYS A 68 4.271 17.089 5.953 1.00 0.00 N ATOM 1070 CA LYS A 68 3.505 17.735 7.006 1.00 0.00 C ATOM 1071 C LYS A 68 2.754 16.684 7.814 1.00 0.00 C ATOM 1072 O LYS A 68 2.881 16.615 9.039 1.00 0.00 O ATOM 1073 CB LYS A 68 2.526 18.742 6.403 1.00 0.00 C ATOM 1074 CG LYS A 68 3.206 19.863 5.633 1.00 0.00 C ATOM 1075 CD LYS A 68 2.209 20.651 4.797 1.00 0.00 C ATOM 1076 CE LYS A 68 2.865 21.827 4.096 1.00 0.00 C ATOM 1077 NZ LYS A 68 3.340 22.850 5.062 1.00 0.00 N ATOM 0 H LYS A 68 3.715 16.791 5.152 1.00 0.00 H new ATOM 0 HA LYS A 68 4.187 18.269 7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.842 18.217 5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.924 19.174 7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.707 20.534 6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.976 19.445 4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.756 19.993 4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.404 21.012 5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.706 21.472 3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.154 22.281 3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.578 23.725 4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.591 23.047 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.184 22.496 5.555 1.00 0.00 H new ATOM 1091 N TYR A 69 1.984 15.857 7.122 1.00 0.00 N ATOM 1092 CA TYR A 69 1.282 14.753 7.761 1.00 0.00 C ATOM 1093 C TYR A 69 2.186 13.534 7.841 1.00 0.00 C ATOM 1094 O TYR A 69 2.443 12.998 8.919 1.00 0.00 O ATOM 1095 CB TYR A 69 0.020 14.378 6.986 1.00 0.00 C ATOM 1096 CG TYR A 69 -1.014 15.474 6.903 1.00 0.00 C ATOM 1097 CD1 TYR A 69 -1.845 15.755 7.979 1.00 0.00 C ATOM 1098 CD2 TYR A 69 -1.168 16.217 5.742 1.00 0.00 C ATOM 1099 CE1 TYR A 69 -2.799 16.750 7.899 1.00 0.00 C ATOM 1100 CE2 TYR A 69 -2.119 17.211 5.654 1.00 0.00 C ATOM 1101 CZ TYR A 69 -2.931 17.473 6.733 1.00 0.00 C ATOM 1102 OH TYR A 69 -3.887 18.458 6.643 1.00 0.00 O ATOM 0 H TYR A 69 1.829 15.930 6.116 1.00 0.00 H new ATOM 0 HA TYR A 69 1.001 15.077 8.763 1.00 0.00 H new ATOM 0 HB2 TYR A 69 0.303 14.086 5.975 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.432 13.504 7.455 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.744 15.187 8.892 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.532 16.013 4.893 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.437 16.960 8.744 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.226 17.781 4.743 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.526 18.230 5.936 1.00 0.00 H new ATOM 1112 N VAL A 70 2.667 13.108 6.683 1.00 0.00 N ATOM 1113 CA VAL A 70 3.477 11.906 6.579 1.00 0.00 C ATOM 1114 C VAL A 70 4.952 12.216 6.873 1.00 0.00 C ATOM 1115 O VAL A 70 5.371 13.372 6.832 1.00 0.00 O ATOM 1116 CB VAL A 70 3.326 11.273 5.174 1.00 0.00 C ATOM 1117 CG1 VAL A 70 3.946 12.163 4.108 1.00 0.00 C ATOM 1118 CG2 VAL A 70 3.916 9.871 5.133 1.00 0.00 C ATOM 0 H VAL A 70 2.508 13.583 5.795 1.00 0.00 H new ATOM 0 HA VAL A 70 3.125 11.191 7.322 1.00 0.00 H new ATOM 0 HB VAL A 70 2.261 11.186 4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.827 11.696 3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.449 13.133 4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.007 12.298 4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.794 9.454 4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.976 9.915 5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.401 9.238 5.855 1.00 0.00 H new ATOM 1128 N HIS A 71 5.718 11.182 7.192 1.00 0.00 N ATOM 1129 CA HIS A 71 7.146 11.316 7.460 1.00 0.00 C ATOM 1130 C HIS A 71 7.918 10.663 6.313 1.00 0.00 C ATOM 1131 O HIS A 71 7.487 9.637 5.802 1.00 0.00 O ATOM 1132 CB HIS A 71 7.464 10.649 8.808 1.00 0.00 C ATOM 1133 CG HIS A 71 8.840 10.914 9.340 1.00 0.00 C ATOM 1134 ND1 HIS A 71 9.254 12.151 9.788 1.00 0.00 N ATOM 1135 CD2 HIS A 71 9.886 10.081 9.535 1.00 0.00 C ATOM 1136 CE1 HIS A 71 10.493 12.065 10.232 1.00 0.00 C ATOM 1137 NE2 HIS A 71 10.899 10.819 10.089 1.00 0.00 N ATOM 0 H HIS A 71 5.369 10.227 7.273 1.00 0.00 H new ATOM 0 HA HIS A 71 7.440 12.364 7.523 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.735 10.988 9.544 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.333 9.572 8.703 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.918 9.028 9.298 1.00 0.00 H new ATOM 0 HE1 HIS A 71 11.075 12.877 10.643 1.00 0.00 H new ATOM 0 HE2 HIS A 71 11.818 10.462 10.349 1.00 0.00 H new ATOM 1146 N LYS A 72 9.040 11.255 5.897 1.00 0.00 N ATOM 1147 CA LYS A 72 9.759 10.783 4.703 1.00 0.00 C ATOM 1148 C LYS A 72 10.130 9.305 4.816 1.00 0.00 C ATOM 1149 O LYS A 72 9.949 8.541 3.870 1.00 0.00 O ATOM 1150 CB LYS A 72 11.018 11.618 4.449 1.00 0.00 C ATOM 1151 CG LYS A 72 11.707 11.291 3.128 1.00 0.00 C ATOM 1152 CD LYS A 72 12.971 12.115 2.923 1.00 0.00 C ATOM 1153 CE LYS A 72 14.115 11.622 3.796 1.00 0.00 C ATOM 1154 NZ LYS A 72 14.616 10.285 3.370 1.00 0.00 N ATOM 0 H LYS A 72 9.470 12.055 6.362 1.00 0.00 H new ATOM 0 HA LYS A 72 9.082 10.902 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.752 12.675 4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.721 11.458 5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.958 10.231 3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.017 11.475 2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.268 12.070 1.875 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.764 13.161 3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.933 12.342 3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.782 11.569 4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.810 9.703 4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.898 9.816 2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.491 10.401 2.820 1.00 0.00 H new ATOM 1168 N GLU A 73 10.633 8.912 5.984 1.00 0.00 N ATOM 1169 CA GLU A 73 10.982 7.516 6.251 1.00 0.00 C ATOM 1170 C GLU A 73 9.794 6.583 6.014 1.00 0.00 C ATOM 1171 O GLU A 73 9.973 5.408 5.703 1.00 0.00 O ATOM 1172 CB GLU A 73 11.465 7.358 7.695 1.00 0.00 C ATOM 1173 CG GLU A 73 12.771 8.073 7.995 1.00 0.00 C ATOM 1174 CD GLU A 73 13.061 8.163 9.479 1.00 0.00 C ATOM 1175 OE1 GLU A 73 13.253 7.111 10.123 1.00 0.00 O ATOM 1176 OE2 GLU A 73 13.109 9.297 10.005 1.00 0.00 O ATOM 0 H GLU A 73 10.809 9.543 6.765 1.00 0.00 H new ATOM 0 HA GLU A 73 11.780 7.242 5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.694 7.735 8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.586 6.297 7.912 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.589 7.549 7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.735 9.078 7.574 1.00 0.00 H new ATOM 1183 N GLN A 74 8.587 7.110 6.165 1.00 0.00 N ATOM 1184 CA GLN A 74 7.387 6.310 6.011 1.00 0.00 C ATOM 1185 C GLN A 74 7.157 5.936 4.552 1.00 0.00 C ATOM 1186 O GLN A 74 6.885 4.781 4.253 1.00 0.00 O ATOM 1187 CB GLN A 74 6.173 7.045 6.581 1.00 0.00 C ATOM 1188 CG GLN A 74 6.179 7.135 8.100 1.00 0.00 C ATOM 1189 CD GLN A 74 6.332 5.778 8.769 1.00 0.00 C ATOM 1190 OE1 GLN A 74 5.914 4.753 8.236 1.00 0.00 O ATOM 1191 NE2 GLN A 74 6.948 5.765 9.940 1.00 0.00 N ATOM 0 H GLN A 74 8.416 8.089 6.394 1.00 0.00 H new ATOM 0 HA GLN A 74 7.525 5.386 6.573 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.139 8.052 6.165 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.265 6.536 6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.994 7.786 8.418 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.251 7.598 8.436 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.281 6.637 10.351 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.090 4.883 10.432 1.00 0.00 H new ATOM 1200 N ILE A 75 7.302 6.902 3.644 1.00 0.00 N ATOM 1201 CA ILE A 75 7.105 6.642 2.213 1.00 0.00 C ATOM 1202 C ILE A 75 8.006 5.502 1.746 1.00 0.00 C ATOM 1203 O ILE A 75 7.562 4.578 1.063 1.00 0.00 O ATOM 1204 CB ILE A 75 7.389 7.893 1.335 1.00 0.00 C ATOM 1205 CG1 ILE A 75 6.327 8.977 1.543 1.00 0.00 C ATOM 1206 CG2 ILE A 75 7.465 7.517 -0.141 1.00 0.00 C ATOM 1207 CD1 ILE A 75 6.550 9.836 2.767 1.00 0.00 C ATOM 0 H ILE A 75 7.553 7.865 3.869 1.00 0.00 H new ATOM 0 HA ILE A 75 6.056 6.370 2.093 1.00 0.00 H new ATOM 0 HB ILE A 75 8.353 8.294 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.302 9.619 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.349 8.502 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.664 8.410 -0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.267 6.794 -0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.518 7.078 -0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.755 10.578 2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.545 9.208 3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.512 10.342 2.686 1.00 0.00 H new ATOM 1219 N GLU A 76 9.263 5.564 2.155 1.00 0.00 N ATOM 1220 CA GLU A 76 10.256 4.580 1.745 1.00 0.00 C ATOM 1221 C GLU A 76 10.023 3.240 2.437 1.00 0.00 C ATOM 1222 O GLU A 76 10.357 2.184 1.895 1.00 0.00 O ATOM 1223 CB GLU A 76 11.658 5.102 2.056 1.00 0.00 C ATOM 1224 CG GLU A 76 11.972 6.425 1.372 1.00 0.00 C ATOM 1225 CD GLU A 76 13.382 6.902 1.645 1.00 0.00 C ATOM 1226 OE1 GLU A 76 14.335 6.218 1.217 1.00 0.00 O ATOM 1227 OE2 GLU A 76 13.543 7.970 2.275 1.00 0.00 O ATOM 0 H GLU A 76 9.623 6.290 2.775 1.00 0.00 H new ATOM 0 HA GLU A 76 10.161 4.421 0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.762 5.224 3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.392 4.358 1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.831 6.316 0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.265 7.182 1.711 1.00 0.00 H new ATOM 1234 N ALA A 77 9.441 3.288 3.629 1.00 0.00 N ATOM 1235 CA ALA A 77 9.149 2.078 4.388 1.00 0.00 C ATOM 1236 C ALA A 77 7.884 1.401 3.875 1.00 0.00 C ATOM 1237 O ALA A 77 7.792 0.176 3.870 1.00 0.00 O ATOM 1238 CB ALA A 77 9.019 2.392 5.873 1.00 0.00 C ATOM 0 H ALA A 77 9.162 4.153 4.092 1.00 0.00 H new ATOM 0 HA ALA A 77 9.982 1.389 4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.801 1.475 6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.953 2.819 6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.210 3.106 6.024 1.00 0.00 H new ATOM 1244 N VAL A 78 6.921 2.205 3.429 1.00 0.00 N ATOM 1245 CA VAL A 78 5.653 1.687 2.929 1.00 0.00 C ATOM 1246 C VAL A 78 5.869 0.682 1.805 1.00 0.00 C ATOM 1247 O VAL A 78 5.231 -0.360 1.787 1.00 0.00 O ATOM 1248 CB VAL A 78 4.711 2.819 2.443 1.00 0.00 C ATOM 1249 CG1 VAL A 78 3.528 2.257 1.666 1.00 0.00 C ATOM 1250 CG2 VAL A 78 4.209 3.638 3.622 1.00 0.00 C ATOM 0 H VAL A 78 6.997 3.222 3.404 1.00 0.00 H new ATOM 0 HA VAL A 78 5.174 1.183 3.769 1.00 0.00 H new ATOM 0 HB VAL A 78 5.285 3.464 1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.886 3.075 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.891 1.710 0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.959 1.583 2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.549 4.428 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.661 2.991 4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.057 4.083 4.143 1.00 0.00 H new ATOM 1260 N LYS A 79 6.788 0.981 0.891 1.00 0.00 N ATOM 1261 CA LYS A 79 7.044 0.088 -0.237 1.00 0.00 C ATOM 1262 C LYS A 79 7.374 -1.324 0.242 1.00 0.00 C ATOM 1263 O LYS A 79 6.747 -2.298 -0.177 1.00 0.00 O ATOM 1264 CB LYS A 79 8.194 0.598 -1.109 1.00 0.00 C ATOM 1265 CG LYS A 79 8.399 -0.262 -2.350 1.00 0.00 C ATOM 1266 CD LYS A 79 9.727 0.000 -3.034 1.00 0.00 C ATOM 1267 CE LYS A 79 9.841 -0.813 -4.317 1.00 0.00 C ATOM 1268 NZ LYS A 79 11.212 -0.776 -4.893 1.00 0.00 N ATOM 0 H LYS A 79 7.362 1.824 0.907 1.00 0.00 H new ATOM 0 HA LYS A 79 6.131 0.065 -0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.991 1.626 -1.410 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.113 0.613 -0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.341 -1.314 -2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.589 -0.074 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.822 1.062 -3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.545 -0.256 -2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.563 -1.847 -4.114 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.131 -0.430 -5.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.238 -1.344 -5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.470 0.207 -5.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.888 -1.166 -4.206 1.00 0.00 H new ATOM 1282 N ASP A 80 8.347 -1.424 1.136 1.00 0.00 N ATOM 1283 CA ASP A 80 8.807 -2.719 1.621 1.00 0.00 C ATOM 1284 C ASP A 80 7.771 -3.360 2.537 1.00 0.00 C ATOM 1285 O ASP A 80 7.484 -4.554 2.426 1.00 0.00 O ATOM 1286 CB ASP A 80 10.140 -2.569 2.354 1.00 0.00 C ATOM 1287 CG ASP A 80 10.659 -3.888 2.888 1.00 0.00 C ATOM 1288 OD1 ASP A 80 11.132 -4.717 2.082 1.00 0.00 O ATOM 1289 OD2 ASP A 80 10.612 -4.098 4.116 1.00 0.00 O ATOM 0 H ASP A 80 8.834 -0.624 1.541 1.00 0.00 H new ATOM 0 HA ASP A 80 8.949 -3.371 0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.878 -2.140 1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.020 -1.868 3.180 1.00 0.00 H new ATOM 1294 N ASN A 81 7.195 -2.555 3.422 1.00 0.00 N ATOM 1295 CA ASN A 81 6.187 -3.041 4.360 1.00 0.00 C ATOM 1296 C ASN A 81 4.939 -3.522 3.630 1.00 0.00 C ATOM 1297 O ASN A 81 4.291 -4.471 4.058 1.00 0.00 O ATOM 1298 CB ASN A 81 5.812 -1.953 5.375 1.00 0.00 C ATOM 1299 CG ASN A 81 6.861 -1.771 6.460 1.00 0.00 C ATOM 1300 OD1 ASN A 81 7.573 -2.710 6.817 1.00 0.00 O ATOM 1301 ND2 ASN A 81 6.958 -0.565 7.006 1.00 0.00 N ATOM 0 H ASN A 81 7.408 -1.561 3.511 1.00 0.00 H new ATOM 0 HA ASN A 81 6.621 -3.886 4.895 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.670 -1.008 4.851 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.858 -2.207 5.837 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.639 -0.393 7.746 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.352 0.190 6.686 1.00 0.00 H new ATOM 1308 N PHE A 82 4.611 -2.869 2.522 1.00 0.00 N ATOM 1309 CA PHE A 82 3.450 -3.241 1.728 1.00 0.00 C ATOM 1310 C PHE A 82 3.677 -4.587 1.051 1.00 0.00 C ATOM 1311 O PHE A 82 2.788 -5.436 1.032 1.00 0.00 O ATOM 1312 CB PHE A 82 3.151 -2.163 0.681 1.00 0.00 C ATOM 1313 CG PHE A 82 1.855 -2.367 -0.051 1.00 0.00 C ATOM 1314 CD1 PHE A 82 0.646 -2.042 0.550 1.00 0.00 C ATOM 1315 CD2 PHE A 82 1.842 -2.876 -1.338 1.00 0.00 C ATOM 1316 CE1 PHE A 82 -0.546 -2.225 -0.121 1.00 0.00 C ATOM 1317 CE2 PHE A 82 0.651 -3.060 -2.011 1.00 0.00 C ATOM 1318 CZ PHE A 82 -0.544 -2.735 -1.402 1.00 0.00 C ATOM 0 H PHE A 82 5.136 -2.076 2.153 1.00 0.00 H new ATOM 0 HA PHE A 82 2.591 -3.328 2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 82 3.130 -1.190 1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.966 -2.138 -0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.639 -1.642 1.553 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.774 -3.132 -1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.480 -1.969 0.357 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.654 -3.459 -3.015 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.476 -2.880 -1.928 1.00 0.00 H new ATOM 1328 N LEU A 83 4.874 -4.782 0.505 1.00 0.00 N ATOM 1329 CA LEU A 83 5.229 -6.049 -0.129 1.00 0.00 C ATOM 1330 C LEU A 83 5.185 -7.180 0.891 1.00 0.00 C ATOM 1331 O LEU A 83 4.688 -8.272 0.608 1.00 0.00 O ATOM 1332 CB LEU A 83 6.619 -5.964 -0.771 1.00 0.00 C ATOM 1333 CG LEU A 83 6.750 -4.944 -1.903 1.00 0.00 C ATOM 1334 CD1 LEU A 83 8.171 -4.924 -2.442 1.00 0.00 C ATOM 1335 CD2 LEU A 83 5.766 -5.254 -3.021 1.00 0.00 C ATOM 0 H LEU A 83 5.614 -4.080 0.489 1.00 0.00 H new ATOM 0 HA LEU A 83 4.502 -6.256 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.346 -5.719 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.885 -6.948 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 83 6.517 -3.958 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.245 -4.192 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.860 -4.654 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.429 -5.911 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.875 -4.517 -3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.968 -6.249 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.749 -5.219 -2.631 1.00 0.00 H new ATOM 1347 N GLU A 84 5.697 -6.899 2.082 1.00 0.00 N ATOM 1348 CA GLU A 84 5.639 -7.841 3.191 1.00 0.00 C ATOM 1349 C GLU A 84 4.186 -8.108 3.577 1.00 0.00 C ATOM 1350 O GLU A 84 3.786 -9.253 3.765 1.00 0.00 O ATOM 1351 CB GLU A 84 6.430 -7.287 4.383 1.00 0.00 C ATOM 1352 CG GLU A 84 6.358 -8.139 5.645 1.00 0.00 C ATOM 1353 CD GLU A 84 6.922 -9.534 5.459 1.00 0.00 C ATOM 1354 OE1 GLU A 84 8.139 -9.666 5.210 1.00 0.00 O ATOM 1355 OE2 GLU A 84 6.155 -10.509 5.605 1.00 0.00 O ATOM 0 H GLU A 84 6.161 -6.018 2.305 1.00 0.00 H new ATOM 0 HA GLU A 84 6.088 -8.786 2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.475 -7.182 4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.061 -6.288 4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.903 -7.638 6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.319 -8.214 5.966 1.00 0.00 H new ATOM 1362 N LEU A 85 3.399 -7.035 3.659 1.00 0.00 N ATOM 1363 CA LEU A 85 1.984 -7.116 4.017 1.00 0.00 C ATOM 1364 C LEU A 85 1.240 -8.066 3.079 1.00 0.00 C ATOM 1365 O LEU A 85 0.513 -8.953 3.529 1.00 0.00 O ATOM 1366 CB LEU A 85 1.360 -5.709 3.971 1.00 0.00 C ATOM 1367 CG LEU A 85 -0.016 -5.539 4.635 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -0.277 -4.067 4.911 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -1.130 -6.104 3.761 1.00 0.00 C ATOM 0 H LEU A 85 3.725 -6.085 3.479 1.00 0.00 H new ATOM 0 HA LEU A 85 1.898 -7.512 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.054 -5.014 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.272 -5.410 2.926 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.008 -6.094 5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.254 -3.953 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.494 -3.679 5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.259 -3.512 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.089 -5.967 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.142 -5.582 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.957 -7.167 3.593 1.00 0.00 H new ATOM 1381 N VAL A 86 1.426 -7.873 1.780 1.00 0.00 N ATOM 1382 CA VAL A 86 0.782 -8.719 0.782 1.00 0.00 C ATOM 1383 C VAL A 86 1.228 -10.173 0.936 1.00 0.00 C ATOM 1384 O VAL A 86 0.409 -11.091 0.906 1.00 0.00 O ATOM 1385 CB VAL A 86 1.090 -8.232 -0.655 1.00 0.00 C ATOM 1386 CG1 VAL A 86 0.452 -9.147 -1.691 1.00 0.00 C ATOM 1387 CG2 VAL A 86 0.616 -6.801 -0.849 1.00 0.00 C ATOM 0 H VAL A 86 2.017 -7.138 1.392 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.293 -8.654 0.947 1.00 0.00 H new ATOM 0 HB VAL A 86 2.171 -8.262 -0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.684 -8.782 -2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.843 -10.158 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.629 -9.158 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.842 -6.478 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.460 -6.748 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.126 -6.149 -0.139 1.00 0.00 H new ATOM 1397 N LEU A 87 2.523 -10.369 1.134 1.00 0.00 N ATOM 1398 CA LEU A 87 3.089 -11.706 1.259 1.00 0.00 C ATOM 1399 C LEU A 87 2.551 -12.419 2.500 1.00 0.00 C ATOM 1400 O LEU A 87 2.020 -13.528 2.408 1.00 0.00 O ATOM 1401 CB LEU A 87 4.617 -11.627 1.320 1.00 0.00 C ATOM 1402 CG LEU A 87 5.341 -12.973 1.379 1.00 0.00 C ATOM 1403 CD1 LEU A 87 5.066 -13.785 0.120 1.00 0.00 C ATOM 1404 CD2 LEU A 87 6.836 -12.764 1.567 1.00 0.00 C ATOM 0 H LEU A 87 3.206 -9.615 1.212 1.00 0.00 H new ATOM 0 HA LEU A 87 2.794 -12.282 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.971 -11.081 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.899 -11.043 2.196 1.00 0.00 H new ATOM 0 HG LEU A 87 4.962 -13.532 2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.590 -14.739 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.995 -13.964 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.417 -13.234 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.336 -13.731 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.230 -12.186 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.014 -12.225 2.497 1.00 0.00 H new ATOM 1416 N GLN A 88 2.669 -11.767 3.653 1.00 0.00 N ATOM 1417 CA GLN A 88 2.272 -12.364 4.927 1.00 0.00 C ATOM 1418 C GLN A 88 0.782 -12.689 4.955 1.00 0.00 C ATOM 1419 O GLN A 88 0.356 -13.599 5.671 1.00 0.00 O ATOM 1420 CB GLN A 88 2.625 -11.433 6.093 1.00 0.00 C ATOM 1421 CG GLN A 88 1.955 -10.071 6.015 1.00 0.00 C ATOM 1422 CD GLN A 88 2.323 -9.160 7.166 1.00 0.00 C ATOM 1423 OE1 GLN A 88 3.404 -9.265 7.742 1.00 0.00 O ATOM 1424 NE2 GLN A 88 1.424 -8.251 7.502 1.00 0.00 N ATOM 0 H GLN A 88 3.038 -10.820 3.732 1.00 0.00 H new ATOM 0 HA GLN A 88 2.825 -13.297 5.035 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.341 -11.914 7.029 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.706 -11.295 6.121 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.231 -9.590 5.077 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.873 -10.206 5.998 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.539 -8.198 6.998 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.615 -7.602 8.266 1.00 0.00 H new ATOM 1433 N SER A 89 0.001 -11.956 4.173 1.00 0.00 N ATOM 1434 CA SER A 89 -1.437 -12.165 4.115 1.00 0.00 C ATOM 1435 C SER A 89 -1.761 -13.532 3.515 1.00 0.00 C ATOM 1436 O SER A 89 -2.658 -14.229 3.987 1.00 0.00 O ATOM 1437 CB SER A 89 -2.102 -11.054 3.291 1.00 0.00 C ATOM 1438 OG SER A 89 -3.517 -11.148 3.335 1.00 0.00 O ATOM 0 H SER A 89 0.342 -11.209 3.568 1.00 0.00 H new ATOM 0 HA SER A 89 -1.829 -12.134 5.131 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.789 -10.081 3.671 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.764 -11.116 2.256 1.00 0.00 H new ATOM 0 HG SER A 89 -3.910 -10.426 2.802 1.00 0.00 H new ATOM 1444 N TYR A 90 -1.010 -13.925 2.493 1.00 0.00 N ATOM 1445 CA TYR A 90 -1.272 -15.180 1.797 1.00 0.00 C ATOM 1446 C TYR A 90 -0.545 -16.351 2.445 1.00 0.00 C ATOM 1447 O TYR A 90 -1.149 -17.388 2.719 1.00 0.00 O ATOM 1448 CB TYR A 90 -0.878 -15.071 0.322 1.00 0.00 C ATOM 1449 CG TYR A 90 -1.783 -14.164 -0.473 1.00 0.00 C ATOM 1450 CD1 TYR A 90 -3.058 -14.577 -0.840 1.00 0.00 C ATOM 1451 CD2 TYR A 90 -1.369 -12.896 -0.856 1.00 0.00 C ATOM 1452 CE1 TYR A 90 -3.892 -13.754 -1.567 1.00 0.00 C ATOM 1453 CE2 TYR A 90 -2.197 -12.066 -1.583 1.00 0.00 C ATOM 1454 CZ TYR A 90 -3.456 -12.499 -1.935 1.00 0.00 C ATOM 1455 OH TYR A 90 -4.286 -11.676 -2.660 1.00 0.00 O ATOM 0 H TYR A 90 -0.218 -13.396 2.129 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.343 -15.370 1.869 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.145 -14.702 0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.889 -16.065 -0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.402 -15.559 -0.551 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -0.383 -12.553 -0.580 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.880 -14.090 -1.846 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.860 -11.082 -1.874 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.830 -10.827 -2.838 1.00 0.00 H new ATOM 1465 N VAL A 91 0.749 -16.190 2.698 1.00 0.00 N ATOM 1466 CA VAL A 91 1.555 -17.287 3.227 1.00 0.00 C ATOM 1467 C VAL A 91 1.298 -17.508 4.717 1.00 0.00 C ATOM 1468 O VAL A 91 1.565 -18.587 5.238 1.00 0.00 O ATOM 1469 CB VAL A 91 3.063 -17.061 2.995 1.00 0.00 C ATOM 1470 CG1 VAL A 91 3.370 -16.976 1.509 1.00 0.00 C ATOM 1471 CG2 VAL A 91 3.535 -15.810 3.711 1.00 0.00 C ATOM 0 H VAL A 91 1.260 -15.320 2.548 1.00 0.00 H new ATOM 0 HA VAL A 91 1.250 -18.179 2.679 1.00 0.00 H new ATOM 0 HB VAL A 91 3.602 -17.914 3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.439 -16.816 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.074 -17.905 1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.818 -16.145 1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.601 -15.670 3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.988 -14.946 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.356 -15.914 4.781 1.00 0.00 H new ATOM 1481 N HIS A 92 0.778 -16.479 5.389 1.00 0.00 N ATOM 1482 CA HIS A 92 0.409 -16.565 6.808 1.00 0.00 C ATOM 1483 C HIS A 92 1.621 -16.867 7.698 1.00 0.00 C ATOM 1484 O HIS A 92 1.516 -17.646 8.642 1.00 0.00 O ATOM 1485 CB HIS A 92 -0.665 -17.647 7.037 1.00 0.00 C ATOM 1486 CG HIS A 92 -1.947 -17.436 6.281 1.00 0.00 C ATOM 1487 ND1 HIS A 92 -2.539 -18.422 5.523 1.00 0.00 N ATOM 1488 CD2 HIS A 92 -2.759 -16.355 6.186 1.00 0.00 C ATOM 1489 CE1 HIS A 92 -3.656 -17.956 4.994 1.00 0.00 C ATOM 1490 NE2 HIS A 92 -3.815 -16.707 5.382 1.00 0.00 N ATOM 0 H HIS A 92 0.601 -15.566 4.970 1.00 0.00 H new ATOM 0 HA HIS A 92 0.009 -15.589 7.084 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.250 -18.615 6.757 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -0.892 -17.694 8.102 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -2.604 -15.395 6.656 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -4.327 -18.507 4.351 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.595 -16.101 5.127 1.00 0.00 H new ATOM 1499 N HIS A 93 2.763 -16.233 7.427 1.00 0.00 N ATOM 1500 CA HIS A 93 3.955 -16.472 8.250 1.00 0.00 C ATOM 1501 C HIS A 93 4.010 -15.513 9.441 1.00 0.00 C ATOM 1502 O HIS A 93 5.084 -15.193 9.946 1.00 0.00 O ATOM 1503 CB HIS A 93 5.262 -16.407 7.422 1.00 0.00 C ATOM 1504 CG HIS A 93 5.567 -15.102 6.728 1.00 0.00 C ATOM 1505 ND1 HIS A 93 6.026 -15.044 5.427 1.00 0.00 N ATOM 1506 CD2 HIS A 93 5.524 -13.815 7.157 1.00 0.00 C ATOM 1507 CE1 HIS A 93 6.247 -13.790 5.090 1.00 0.00 C ATOM 1508 NE2 HIS A 93 5.948 -13.027 6.115 1.00 0.00 N ATOM 0 H HIS A 93 2.890 -15.567 6.665 1.00 0.00 H new ATOM 0 HA HIS A 93 3.872 -17.488 8.637 1.00 0.00 H new ATOM 0 HB2 HIS A 93 6.095 -16.642 8.084 1.00 0.00 H new ATOM 0 HB3 HIS A 93 5.224 -17.192 6.667 1.00 0.00 H new ATOM 0 HD2 HIS A 93 5.215 -13.475 8.134 1.00 0.00 H new ATOM 0 HE1 HIS A 93 6.612 -13.448 4.133 1.00 0.00 H new ATOM 0 HE2 HIS A 93 6.019 -12.010 6.135 1.00 0.00 H new ATOM 1517 N ILE A 94 2.839 -15.087 9.903 1.00 0.00 N ATOM 1518 CA ILE A 94 2.734 -14.176 11.038 1.00 0.00 C ATOM 1519 C ILE A 94 1.574 -14.566 11.938 1.00 0.00 C ATOM 1520 O ILE A 94 0.876 -15.550 11.688 1.00 0.00 O ATOM 1521 CB ILE A 94 2.493 -12.716 10.599 1.00 0.00 C ATOM 1522 CG1 ILE A 94 1.311 -12.649 9.631 1.00 0.00 C ATOM 1523 CG2 ILE A 94 3.743 -12.119 9.975 1.00 0.00 C ATOM 1524 CD1 ILE A 94 0.822 -11.245 9.366 1.00 0.00 C ATOM 0 H ILE A 94 1.941 -15.361 9.504 1.00 0.00 H new ATOM 0 HA ILE A 94 3.685 -14.249 11.565 1.00 0.00 H new ATOM 0 HB ILE A 94 2.253 -12.124 11.482 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.601 -13.108 8.686 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.489 -13.241 10.034 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.544 -11.090 9.675 1.00 0.00 H new ATOM 0 HG22 ILE A 94 4.555 -12.135 10.702 1.00 0.00 H new ATOM 0 HG23 ILE A 94 4.027 -12.703 9.100 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.017 -11.277 8.671 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.500 -10.789 10.302 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.629 -10.654 8.933 1.00 0.00 H new ATOM 1536 N HIS A 95 1.373 -13.778 12.980 1.00 0.00 N ATOM 1537 CA HIS A 95 0.199 -13.899 13.823 1.00 0.00 C ATOM 1538 C HIS A 95 -0.758 -12.758 13.476 1.00 0.00 C ATOM 1539 O HIS A 95 -0.317 -11.724 12.970 1.00 0.00 O ATOM 1540 CB HIS A 95 0.608 -13.862 15.300 1.00 0.00 C ATOM 1541 CG HIS A 95 -0.379 -14.513 16.221 1.00 0.00 C ATOM 1542 ND1 HIS A 95 -0.824 -15.806 16.049 1.00 0.00 N ATOM 1543 CD2 HIS A 95 -0.994 -14.051 17.334 1.00 0.00 C ATOM 1544 CE1 HIS A 95 -1.672 -16.109 17.015 1.00 0.00 C ATOM 1545 NE2 HIS A 95 -1.790 -15.062 17.808 1.00 0.00 N ATOM 0 H HIS A 95 2.017 -13.040 13.264 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.303 -14.851 13.650 1.00 0.00 H new ATOM 0 HB2 HIS A 95 1.574 -14.355 15.412 1.00 0.00 H new ATOM 0 HB3 HIS A 95 0.743 -12.824 15.603 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.879 -13.069 17.768 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.182 -17.053 17.135 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -2.378 -15.012 18.640 1.00 0.00 H new ATOM 1554 N LYS A 96 -2.050 -12.942 13.741 1.00 0.00 N ATOM 1555 CA LYS A 96 -3.080 -11.994 13.290 1.00 0.00 C ATOM 1556 C LYS A 96 -2.790 -10.552 13.715 1.00 0.00 C ATOM 1557 O LYS A 96 -2.957 -9.624 12.922 1.00 0.00 O ATOM 1558 CB LYS A 96 -4.466 -12.407 13.800 1.00 0.00 C ATOM 1559 CG LYS A 96 -4.967 -13.735 13.250 1.00 0.00 C ATOM 1560 CD LYS A 96 -6.422 -13.967 13.630 1.00 0.00 C ATOM 1561 CE LYS A 96 -6.947 -15.297 13.105 1.00 0.00 C ATOM 1562 NZ LYS A 96 -6.287 -16.462 13.750 1.00 0.00 N ATOM 0 H LYS A 96 -2.414 -13.738 14.266 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.063 -12.027 12.201 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.437 -12.466 14.888 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.182 -11.627 13.542 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.864 -13.745 12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.352 -14.548 13.636 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.521 -13.942 14.715 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.033 -13.155 13.235 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.022 -15.352 13.275 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.792 -15.346 12.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.758 -17.339 13.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.286 -16.493 13.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.354 -16.371 14.784 1.00 0.00 H new ATOM 1576 N LYS A 97 -2.349 -10.366 14.954 1.00 0.00 N ATOM 1577 CA LYS A 97 -2.101 -9.023 15.485 1.00 0.00 C ATOM 1578 C LYS A 97 -1.028 -8.286 14.679 1.00 0.00 C ATOM 1579 O LYS A 97 -1.119 -7.076 14.470 1.00 0.00 O ATOM 1580 CB LYS A 97 -1.696 -9.099 16.959 1.00 0.00 C ATOM 1581 CG LYS A 97 -1.481 -7.737 17.609 1.00 0.00 C ATOM 1582 CD LYS A 97 -1.178 -7.851 19.099 1.00 0.00 C ATOM 1583 CE LYS A 97 -2.438 -8.072 19.933 1.00 0.00 C ATOM 1584 NZ LYS A 97 -3.108 -9.370 19.647 1.00 0.00 N ATOM 0 H LYS A 97 -2.155 -11.122 15.610 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.029 -8.458 15.398 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.467 -9.637 17.511 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.778 -9.681 17.044 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.658 -7.224 17.111 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.371 -7.124 17.467 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.486 -8.677 19.264 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.677 -6.943 19.436 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.178 -8.029 20.991 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.139 -7.259 19.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.636 -9.681 20.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.765 -9.253 18.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.392 -10.084 19.405 1.00 0.00 H new ATOM 1598 N ARG A 98 -0.030 -9.026 14.207 1.00 0.00 N ATOM 1599 CA ARG A 98 1.058 -8.440 13.433 1.00 0.00 C ATOM 1600 C ARG A 98 0.535 -7.878 12.119 1.00 0.00 C ATOM 1601 O ARG A 98 0.997 -6.841 11.640 1.00 0.00 O ATOM 1602 CB ARG A 98 2.140 -9.491 13.164 1.00 0.00 C ATOM 1603 CG ARG A 98 3.307 -8.983 12.333 1.00 0.00 C ATOM 1604 CD ARG A 98 4.012 -7.814 13.004 1.00 0.00 C ATOM 1605 NE ARG A 98 4.576 -8.172 14.302 1.00 0.00 N ATOM 1606 CZ ARG A 98 5.694 -7.640 14.796 1.00 0.00 C ATOM 1607 NH1 ARG A 98 6.377 -6.748 14.089 1.00 0.00 N ATOM 1608 NH2 ARG A 98 6.136 -8.001 15.991 1.00 0.00 N ATOM 0 H ARG A 98 0.048 -10.033 14.347 1.00 0.00 H new ATOM 0 HA ARG A 98 1.494 -7.624 14.010 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.520 -9.858 14.118 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.687 -10.341 12.653 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.019 -9.793 12.172 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.947 -8.675 11.351 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.808 -7.452 12.353 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.306 -6.993 13.132 1.00 0.00 H new ATOM 0 HE ARG A 98 4.087 -8.869 14.863 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.047 -6.468 13.165 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.232 -6.342 14.469 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.620 -8.690 16.539 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.992 -7.590 16.364 1.00 0.00 H new ATOM 1622 N PHE A 99 -0.442 -8.562 11.547 1.00 0.00 N ATOM 1623 CA PHE A 99 -1.026 -8.142 10.289 1.00 0.00 C ATOM 1624 C PHE A 99 -1.775 -6.826 10.467 1.00 0.00 C ATOM 1625 O PHE A 99 -1.647 -5.916 9.648 1.00 0.00 O ATOM 1626 CB PHE A 99 -1.971 -9.221 9.753 1.00 0.00 C ATOM 1627 CG PHE A 99 -2.561 -8.889 8.414 1.00 0.00 C ATOM 1628 CD1 PHE A 99 -1.859 -9.151 7.249 1.00 0.00 C ATOM 1629 CD2 PHE A 99 -3.814 -8.310 8.321 1.00 0.00 C ATOM 1630 CE1 PHE A 99 -2.398 -8.838 6.015 1.00 0.00 C ATOM 1631 CE2 PHE A 99 -4.358 -7.997 7.094 1.00 0.00 C ATOM 1632 CZ PHE A 99 -3.650 -8.260 5.938 1.00 0.00 C ATOM 0 H PHE A 99 -0.847 -9.413 11.937 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.223 -7.993 9.567 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.428 -10.163 9.678 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.778 -9.374 10.469 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.880 -9.604 7.305 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.373 -8.101 9.221 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.841 -9.045 5.113 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.338 -7.546 7.037 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.074 -8.014 4.976 1.00 0.00 H new ATOM 1642 N LYS A 100 -2.534 -6.727 11.552 1.00 0.00 N ATOM 1643 CA LYS A 100 -3.357 -5.555 11.809 1.00 0.00 C ATOM 1644 C LYS A 100 -2.482 -4.317 11.991 1.00 0.00 C ATOM 1645 O LYS A 100 -2.751 -3.274 11.398 1.00 0.00 O ATOM 1646 CB LYS A 100 -4.223 -5.779 13.053 1.00 0.00 C ATOM 1647 CG LYS A 100 -5.642 -5.226 12.943 1.00 0.00 C ATOM 1648 CD LYS A 100 -5.666 -3.714 12.754 1.00 0.00 C ATOM 1649 CE LYS A 100 -7.093 -3.195 12.677 1.00 0.00 C ATOM 1650 NZ LYS A 100 -7.154 -1.732 12.413 1.00 0.00 N ATOM 0 H LYS A 100 -2.595 -7.449 12.270 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.009 -5.395 10.951 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.278 -6.849 13.254 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.732 -5.318 13.910 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.150 -5.702 12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.200 -5.485 13.842 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.145 -3.233 13.581 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.130 -3.450 11.843 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.627 -3.726 11.889 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.607 -3.414 13.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.146 -1.440 12.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.729 -1.217 13.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.630 -1.514 11.541 1.00 0.00 H new ATOM 1664 N ASP A 101 -1.428 -4.451 12.790 1.00 0.00 N ATOM 1665 CA ASP A 101 -0.513 -3.339 13.063 1.00 0.00 C ATOM 1666 C ASP A 101 0.067 -2.776 11.772 1.00 0.00 C ATOM 1667 O ASP A 101 -0.042 -1.577 11.503 1.00 0.00 O ATOM 1668 CB ASP A 101 0.629 -3.796 13.975 1.00 0.00 C ATOM 1669 CG ASP A 101 1.659 -2.704 14.217 1.00 0.00 C ATOM 1670 OD1 ASP A 101 1.494 -1.917 15.173 1.00 0.00 O ATOM 1671 OD2 ASP A 101 2.648 -2.636 13.460 1.00 0.00 O ATOM 0 H ASP A 101 -1.183 -5.321 13.263 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.085 -2.556 13.562 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.218 -4.120 14.931 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.120 -4.661 13.530 1.00 0.00 H new ATOM 1676 N ILE A 102 0.667 -3.650 10.975 1.00 0.00 N ATOM 1677 CA ILE A 102 1.275 -3.245 9.713 1.00 0.00 C ATOM 1678 C ILE A 102 0.240 -2.617 8.786 1.00 0.00 C ATOM 1679 O ILE A 102 0.468 -1.540 8.234 1.00 0.00 O ATOM 1680 CB ILE A 102 1.957 -4.437 9.001 1.00 0.00 C ATOM 1681 CG1 ILE A 102 3.061 -5.016 9.893 1.00 0.00 C ATOM 1682 CG2 ILE A 102 2.530 -4.000 7.659 1.00 0.00 C ATOM 1683 CD1 ILE A 102 3.772 -6.210 9.294 1.00 0.00 C ATOM 0 H ILE A 102 0.746 -4.646 11.180 1.00 0.00 H new ATOM 0 HA ILE A 102 2.038 -2.503 9.949 1.00 0.00 H new ATOM 0 HB ILE A 102 1.211 -5.210 8.818 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.794 -4.236 10.100 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.626 -5.307 10.849 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.006 -4.851 7.172 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.727 -3.622 7.026 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.268 -3.213 7.817 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.538 -6.562 9.985 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.053 -7.009 9.113 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.238 -5.921 8.352 1.00 0.00 H new ATOM 1695 N THR A 103 -0.909 -3.270 8.646 1.00 0.00 N ATOM 1696 CA THR A 103 -1.965 -2.779 7.766 1.00 0.00 C ATOM 1697 C THR A 103 -2.444 -1.395 8.203 1.00 0.00 C ATOM 1698 O THR A 103 -2.574 -0.486 7.385 1.00 0.00 O ATOM 1699 CB THR A 103 -3.163 -3.753 7.733 1.00 0.00 C ATOM 1700 OG1 THR A 103 -2.711 -5.065 7.381 1.00 0.00 O ATOM 1701 CG2 THR A 103 -4.216 -3.299 6.733 1.00 0.00 C ATOM 0 H THR A 103 -1.133 -4.140 9.130 1.00 0.00 H new ATOM 0 HA THR A 103 -1.542 -2.708 6.764 1.00 0.00 H new ATOM 0 HB THR A 103 -3.613 -3.767 8.726 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.451 -5.550 8.192 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.046 -4.005 6.733 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.580 -2.310 7.012 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.777 -3.256 5.736 1.00 0.00 H new ATOM 1709 N GLU A 104 -2.673 -1.232 9.501 1.00 0.00 N ATOM 1710 CA GLU A 104 -3.172 0.014 10.043 1.00 0.00 C ATOM 1711 C GLU A 104 -2.142 1.122 9.872 1.00 0.00 C ATOM 1712 O GLU A 104 -2.479 2.240 9.479 1.00 0.00 O ATOM 1713 CB GLU A 104 -3.502 -0.176 11.517 1.00 0.00 C ATOM 1714 CG GLU A 104 -4.381 0.916 12.082 1.00 0.00 C ATOM 1715 CD GLU A 104 -4.743 0.679 13.531 1.00 0.00 C ATOM 1716 OE1 GLU A 104 -5.420 -0.330 13.821 1.00 0.00 O ATOM 1717 OE2 GLU A 104 -4.351 1.493 14.388 1.00 0.00 O ATOM 0 H GLU A 104 -2.517 -1.959 10.199 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.074 0.303 9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.999 -1.137 11.649 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.574 -0.216 12.087 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.868 1.874 11.991 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.294 0.986 11.490 1.00 0.00 H new ATOM 1724 N SER A 105 -0.887 0.797 10.156 1.00 0.00 N ATOM 1725 CA SER A 105 0.203 1.745 9.995 1.00 0.00 C ATOM 1726 C SER A 105 0.289 2.227 8.545 1.00 0.00 C ATOM 1727 O SER A 105 0.502 3.414 8.290 1.00 0.00 O ATOM 1728 CB SER A 105 1.528 1.109 10.429 1.00 0.00 C ATOM 1729 OG SER A 105 2.575 2.067 10.472 1.00 0.00 O ATOM 0 H SER A 105 -0.600 -0.120 10.500 1.00 0.00 H new ATOM 0 HA SER A 105 0.007 2.609 10.630 1.00 0.00 H new ATOM 0 HB2 SER A 105 1.409 0.654 11.412 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.793 0.309 9.737 1.00 0.00 H new ATOM 0 HG SER A 105 3.406 1.631 10.754 1.00 0.00 H new ATOM 1735 N VAL A 106 0.110 1.307 7.598 1.00 0.00 N ATOM 1736 CA VAL A 106 0.141 1.654 6.181 1.00 0.00 C ATOM 1737 C VAL A 106 -1.077 2.497 5.804 1.00 0.00 C ATOM 1738 O VAL A 106 -0.942 3.549 5.183 1.00 0.00 O ATOM 1739 CB VAL A 106 0.205 0.394 5.284 1.00 0.00 C ATOM 1740 CG1 VAL A 106 0.136 0.770 3.810 1.00 0.00 C ATOM 1741 CG2 VAL A 106 1.477 -0.395 5.565 1.00 0.00 C ATOM 0 H VAL A 106 -0.057 0.319 7.787 1.00 0.00 H new ATOM 0 HA VAL A 106 1.046 2.237 6.012 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.657 -0.231 5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.183 -0.133 3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.799 1.293 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.975 1.419 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.506 -1.278 4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.346 0.230 5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.490 -0.703 6.610 1.00 0.00 H new ATOM 1751 N LEU A 107 -2.263 2.044 6.202 1.00 0.00 N ATOM 1752 CA LEU A 107 -3.503 2.756 5.898 1.00 0.00 C ATOM 1753 C LEU A 107 -3.486 4.178 6.452 1.00 0.00 C ATOM 1754 O LEU A 107 -3.921 5.115 5.780 1.00 0.00 O ATOM 1755 CB LEU A 107 -4.713 1.991 6.441 1.00 0.00 C ATOM 1756 CG LEU A 107 -5.390 1.044 5.444 1.00 0.00 C ATOM 1757 CD1 LEU A 107 -5.996 1.830 4.293 1.00 0.00 C ATOM 1758 CD2 LEU A 107 -4.405 0.012 4.917 1.00 0.00 C ATOM 0 H LEU A 107 -2.392 1.185 6.737 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.584 2.820 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.397 1.413 7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.451 2.713 6.790 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.188 0.517 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.473 1.143 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.739 2.527 4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.211 2.385 3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.911 -0.647 4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.582 0.519 4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.015 -0.576 5.748 1.00 0.00 H new ATOM 1770 N TYR A 108 -2.985 4.337 7.674 1.00 0.00 N ATOM 1771 CA TYR A 108 -2.855 5.660 8.275 1.00 0.00 C ATOM 1772 C TYR A 108 -1.940 6.539 7.424 1.00 0.00 C ATOM 1773 O TYR A 108 -2.271 7.686 7.116 1.00 0.00 O ATOM 1774 CB TYR A 108 -2.310 5.553 9.704 1.00 0.00 C ATOM 1775 CG TYR A 108 -2.230 6.881 10.426 1.00 0.00 C ATOM 1776 CD1 TYR A 108 -3.386 7.575 10.765 1.00 0.00 C ATOM 1777 CD2 TYR A 108 -1.004 7.443 10.763 1.00 0.00 C ATOM 1778 CE1 TYR A 108 -3.322 8.790 11.418 1.00 0.00 C ATOM 1779 CE2 TYR A 108 -0.933 8.660 11.418 1.00 0.00 C ATOM 1780 CZ TYR A 108 -2.095 9.328 11.743 1.00 0.00 C ATOM 1781 OH TYR A 108 -2.035 10.541 12.395 1.00 0.00 O ATOM 0 H TYR A 108 -2.664 3.570 8.265 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.843 6.118 8.317 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.945 4.876 10.276 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.316 5.107 9.672 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -4.350 7.157 10.514 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.093 6.922 10.510 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -4.230 9.317 11.673 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.027 9.084 11.673 1.00 0.00 H new ATOM 0 HH TYR A 108 -1.098 10.781 12.553 1.00 0.00 H new ATOM 1791 N THR A 109 -0.804 5.979 7.028 1.00 0.00 N ATOM 1792 CA THR A 109 0.159 6.687 6.196 1.00 0.00 C ATOM 1793 C THR A 109 -0.460 7.085 4.854 1.00 0.00 C ATOM 1794 O THR A 109 -0.315 8.224 4.410 1.00 0.00 O ATOM 1795 CB THR A 109 1.411 5.820 5.949 1.00 0.00 C ATOM 1796 OG1 THR A 109 1.974 5.412 7.201 1.00 0.00 O ATOM 1797 CG2 THR A 109 2.458 6.577 5.143 1.00 0.00 C ATOM 0 H THR A 109 -0.526 5.029 7.272 1.00 0.00 H new ATOM 0 HA THR A 109 0.451 7.591 6.730 1.00 0.00 H new ATOM 0 HB THR A 109 1.106 4.943 5.377 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.500 4.620 7.530 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.328 5.939 4.986 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.038 6.862 4.178 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.759 7.472 5.687 1.00 0.00 H new ATOM 1805 N LEU A 110 -1.167 6.150 4.227 1.00 0.00 N ATOM 1806 CA LEU A 110 -1.790 6.393 2.929 1.00 0.00 C ATOM 1807 C LEU A 110 -2.787 7.548 3.000 1.00 0.00 C ATOM 1808 O LEU A 110 -2.841 8.388 2.103 1.00 0.00 O ATOM 1809 CB LEU A 110 -2.485 5.124 2.429 1.00 0.00 C ATOM 1810 CG LEU A 110 -1.553 3.945 2.137 1.00 0.00 C ATOM 1811 CD1 LEU A 110 -2.350 2.718 1.719 1.00 0.00 C ATOM 1812 CD2 LEU A 110 -0.547 4.319 1.058 1.00 0.00 C ATOM 0 H LEU A 110 -1.324 5.213 4.598 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.004 6.669 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.217 4.812 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.037 5.365 1.520 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.010 3.704 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.668 1.893 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.032 2.436 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.922 2.945 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.108 3.470 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.077 4.587 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.049 5.167 1.394 1.00 0.00 H new ATOM 1824 N HIS A 111 -3.565 7.596 4.074 1.00 0.00 N ATOM 1825 CA HIS A 111 -4.540 8.669 4.254 1.00 0.00 C ATOM 1826 C HIS A 111 -3.840 10.005 4.497 1.00 0.00 C ATOM 1827 O HIS A 111 -4.333 11.061 4.090 1.00 0.00 O ATOM 1828 CB HIS A 111 -5.502 8.349 5.405 1.00 0.00 C ATOM 1829 CG HIS A 111 -6.638 7.445 5.010 1.00 0.00 C ATOM 1830 ND1 HIS A 111 -7.945 7.876 4.919 1.00 0.00 N ATOM 1831 CD2 HIS A 111 -6.660 6.128 4.687 1.00 0.00 C ATOM 1832 CE1 HIS A 111 -8.717 6.868 4.559 1.00 0.00 C ATOM 1833 NE2 HIS A 111 -7.964 5.795 4.409 1.00 0.00 N ATOM 0 H HIS A 111 -3.542 6.911 4.829 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.122 8.749 3.336 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.942 7.882 6.215 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.910 9.281 5.796 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.809 5.463 4.654 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -9.786 6.914 4.412 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -8.295 4.871 4.132 1.00 0.00 H new ATOM 1842 N ALA A 112 -2.684 9.947 5.149 1.00 0.00 N ATOM 1843 CA ALA A 112 -1.893 11.142 5.421 1.00 0.00 C ATOM 1844 C ALA A 112 -1.298 11.705 4.135 1.00 0.00 C ATOM 1845 O ALA A 112 -1.290 12.918 3.922 1.00 0.00 O ATOM 1846 CB ALA A 112 -0.791 10.830 6.427 1.00 0.00 C ATOM 0 H ALA A 112 -2.273 9.082 5.500 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.552 11.898 5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -0.209 11.731 6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.237 10.479 7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.138 10.056 6.023 1.00 0.00 H new ATOM 1852 N VAL A 113 -0.827 10.817 3.268 1.00 0.00 N ATOM 1853 CA VAL A 113 -0.209 11.228 2.014 1.00 0.00 C ATOM 1854 C VAL A 113 -1.267 11.755 1.057 1.00 0.00 C ATOM 1855 O VAL A 113 -1.057 12.747 0.360 1.00 0.00 O ATOM 1856 CB VAL A 113 0.554 10.064 1.340 1.00 0.00 C ATOM 1857 CG1 VAL A 113 1.190 10.514 0.031 1.00 0.00 C ATOM 1858 CG2 VAL A 113 1.609 9.505 2.276 1.00 0.00 C ATOM 0 H VAL A 113 -0.861 9.808 3.411 1.00 0.00 H new ATOM 0 HA VAL A 113 0.508 12.015 2.248 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.165 9.276 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.720 9.677 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.414 10.863 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.892 11.325 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.135 8.687 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.319 10.290 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.131 9.135 3.183 1.00 0.00 H new ATOM 1868 N LYS A 114 -2.413 11.088 1.049 1.00 0.00 N ATOM 1869 CA LYS A 114 -3.521 11.469 0.189 1.00 0.00 C ATOM 1870 C LYS A 114 -3.988 12.890 0.511 1.00 0.00 C ATOM 1871 O LYS A 114 -4.320 13.663 -0.390 1.00 0.00 O ATOM 1872 CB LYS A 114 -4.666 10.457 0.354 1.00 0.00 C ATOM 1873 CG LYS A 114 -5.783 10.584 -0.680 1.00 0.00 C ATOM 1874 CD LYS A 114 -6.852 11.589 -0.268 1.00 0.00 C ATOM 1875 CE LYS A 114 -7.683 11.080 0.903 1.00 0.00 C ATOM 1876 NZ LYS A 114 -8.750 12.041 1.295 1.00 0.00 N ATOM 0 H LYS A 114 -2.599 10.274 1.634 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.192 11.460 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.253 9.450 0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.095 10.574 1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -5.355 10.886 -1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.246 9.609 -0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.379 12.532 0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.505 11.793 -1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.136 10.125 0.637 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.031 10.896 1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.290 11.653 2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.318 12.945 1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.389 12.198 0.490 1.00 0.00 H new ATOM 1890 N ASP A 115 -3.987 13.243 1.795 1.00 0.00 N ATOM 1891 CA ASP A 115 -4.417 14.577 2.203 1.00 0.00 C ATOM 1892 C ASP A 115 -3.366 15.613 1.826 1.00 0.00 C ATOM 1893 O ASP A 115 -3.700 16.735 1.465 1.00 0.00 O ATOM 1894 CB ASP A 115 -4.699 14.641 3.705 1.00 0.00 C ATOM 1895 CG ASP A 115 -5.625 15.791 4.057 1.00 0.00 C ATOM 1896 OD1 ASP A 115 -6.853 15.628 3.895 1.00 0.00 O ATOM 1897 OD2 ASP A 115 -5.144 16.859 4.491 1.00 0.00 O ATOM 0 H ASP A 115 -3.698 12.634 2.560 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.345 14.799 1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.146 13.702 4.031 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.760 14.752 4.247 1.00 0.00 H new ATOM 1902 N GLU A 116 -2.099 15.222 1.898 1.00 0.00 N ATOM 1903 CA GLU A 116 -0.999 16.083 1.493 1.00 0.00 C ATOM 1904 C GLU A 116 -1.103 16.397 -0.005 1.00 0.00 C ATOM 1905 O GLU A 116 -0.871 17.526 -0.439 1.00 0.00 O ATOM 1906 CB GLU A 116 0.327 15.384 1.789 1.00 0.00 C ATOM 1907 CG GLU A 116 1.464 16.328 2.131 1.00 0.00 C ATOM 1908 CD GLU A 116 1.326 16.930 3.517 1.00 0.00 C ATOM 1909 OE1 GLU A 116 0.640 17.966 3.657 1.00 0.00 O ATOM 1910 OE2 GLU A 116 1.902 16.359 4.474 1.00 0.00 O ATOM 0 H GLU A 116 -1.808 14.305 2.237 1.00 0.00 H new ATOM 0 HA GLU A 116 -1.047 17.018 2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.183 14.691 2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.612 14.788 0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.410 15.790 2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 116 1.501 17.129 1.393 1.00 0.00 H new ATOM 1917 N ILE A 117 -1.467 15.382 -0.786 1.00 0.00 N ATOM 1918 CA ILE A 117 -1.685 15.545 -2.221 1.00 0.00 C ATOM 1919 C ILE A 117 -2.831 16.524 -2.476 1.00 0.00 C ATOM 1920 O ILE A 117 -2.771 17.352 -3.383 1.00 0.00 O ATOM 1921 CB ILE A 117 -1.993 14.191 -2.904 1.00 0.00 C ATOM 1922 CG1 ILE A 117 -0.822 13.223 -2.712 1.00 0.00 C ATOM 1923 CG2 ILE A 117 -2.277 14.386 -4.387 1.00 0.00 C ATOM 1924 CD1 ILE A 117 -1.083 11.833 -3.254 1.00 0.00 C ATOM 0 H ILE A 117 -1.618 14.432 -0.446 1.00 0.00 H new ATOM 0 HA ILE A 117 -0.766 15.943 -2.651 1.00 0.00 H new ATOM 0 HB ILE A 117 -2.882 13.767 -2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 117 0.061 13.634 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -0.593 13.151 -1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -2.491 13.421 -4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -3.137 15.045 -4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -1.407 14.832 -4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -0.209 11.205 -3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -1.946 11.401 -2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -1.282 11.891 -4.324 1.00 0.00 H new ATOM 1936 N ALA A 118 -3.873 16.428 -1.663 1.00 0.00 N ATOM 1937 CA ALA A 118 -4.987 17.364 -1.743 1.00 0.00 C ATOM 1938 C ALA A 118 -4.553 18.744 -1.260 1.00 0.00 C ATOM 1939 O ALA A 118 -5.041 19.768 -1.732 1.00 0.00 O ATOM 1940 CB ALA A 118 -6.159 16.857 -0.922 1.00 0.00 C ATOM 0 H ALA A 118 -3.971 15.714 -0.942 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.303 17.445 -2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -6.985 17.565 -0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.480 15.888 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.856 16.753 0.120 1.00 0.00 H new ATOM 1946 N ARG A 119 -3.602 18.745 -0.335 1.00 0.00 N ATOM 1947 CA ARG A 119 -3.081 19.966 0.262 1.00 0.00 C ATOM 1948 C ARG A 119 -2.058 20.628 -0.667 1.00 0.00 C ATOM 1949 O ARG A 119 -1.544 21.707 -0.385 1.00 0.00 O ATOM 1950 CB ARG A 119 -2.457 19.636 1.619 1.00 0.00 C ATOM 1951 CG ARG A 119 -2.158 20.850 2.479 1.00 0.00 C ATOM 1952 CD ARG A 119 -1.658 20.431 3.847 1.00 0.00 C ATOM 1953 NE ARG A 119 -1.648 21.545 4.794 1.00 0.00 N ATOM 1954 CZ ARG A 119 -1.146 21.461 6.023 1.00 0.00 C ATOM 1955 NH1 ARG A 119 -0.575 20.336 6.433 1.00 0.00 N ATOM 1956 NH2 ARG A 119 -1.216 22.498 6.846 1.00 0.00 N ATOM 0 H ARG A 119 -3.169 17.894 0.023 1.00 0.00 H new ATOM 0 HA ARG A 119 -3.897 20.674 0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -3.131 18.975 2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.532 19.084 1.456 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -1.410 21.473 1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.058 21.456 2.586 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -2.290 19.632 4.234 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -0.651 20.024 3.756 1.00 0.00 H new ATOM 0 HE ARG A 119 -2.048 22.435 4.496 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -0.520 19.534 5.806 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -0.191 20.273 7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -1.656 23.365 6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -0.830 22.429 7.787 1.00 0.00 H new ATOM 1970 N GLU A 120 -1.759 19.954 -1.773 1.00 0.00 N ATOM 1971 CA GLU A 120 -0.978 20.542 -2.865 1.00 0.00 C ATOM 1972 C GLU A 120 -1.829 21.567 -3.617 1.00 0.00 C ATOM 1973 O GLU A 120 -1.355 22.259 -4.522 1.00 0.00 O ATOM 1974 CB GLU A 120 -0.508 19.427 -3.810 1.00 0.00 C ATOM 1975 CG GLU A 120 0.213 19.897 -5.069 1.00 0.00 C ATOM 1976 CD GLU A 120 1.571 20.512 -4.799 1.00 0.00 C ATOM 1977 OE1 GLU A 120 1.633 21.713 -4.460 1.00 0.00 O ATOM 1978 OE2 GLU A 120 2.583 19.800 -4.955 1.00 0.00 O ATOM 0 H GLU A 120 -2.048 18.990 -1.941 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.104 21.053 -2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.157 18.762 -3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.375 18.837 -4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.335 19.050 -5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.411 20.628 -5.583 1.00 0.00 H new