USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 954 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 GLN : amide:sc= 0.00273 X(o=3.7,f=3.5) USER MOD Set 1.2: A 71 TYR OH : rot 180:sc= 0.769 USER MOD Set 1.3: A 74 SER OG : rot 80:sc= 1.5 USER MOD Set 1.4: A 76 GLN : amide:sc= 0.344 X(o=3.7,f=3.8) USER MOD Set 1.5: A 85 HIS : no HE2:sc= 0.833 K(o=3.7,f=-4.2!) USER MOD Set 1.6: A 87 HIS : no HE2:sc= 0.267 K(o=3.7,f=0.3!) USER MOD Set 2.1: A 26 GLN : amide:sc= -0.0157 K(o=0.24,f=-0.87) USER MOD Set 2.2: A 104 GLN : amide:sc= 0.257 K(o=0.24,f=-2.4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0621) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -3.4! K(o=-3.4!,f=-0.27) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -1.82 K(o=-1.1,f=-12!) USER MOD Single : A 95 HIS : no HD1:sc= -0.0195 X(o=-0.019,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HE2:sc= -0.188 K(o=-0.19,f=-7.3!) USER MOD Single : A 103 HIS : no HE2:sc= 0.614 K(o=0.61,f=-3.6!) USER MOD Single : A 109 CYS SG : rot 170:sc= -0.152 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.0749 X(o=-0.075,f=-0.23) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -169:sc= -0.399 (180deg=-0.739) USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 7 -19.038 -9.285 -3.882 1.00 0.00 N ATOM 79 CA LYS A 7 -18.789 -7.860 -3.818 1.00 0.00 C ATOM 80 C LYS A 7 -17.296 -7.619 -3.709 1.00 0.00 C ATOM 81 O LYS A 7 -16.644 -8.136 -2.800 1.00 0.00 O ATOM 82 CB LYS A 7 -19.530 -7.252 -2.630 1.00 0.00 C ATOM 83 CG LYS A 7 -20.998 -7.636 -2.591 1.00 0.00 C ATOM 84 CD LYS A 7 -21.672 -7.139 -1.329 1.00 0.00 C ATOM 85 CE LYS A 7 -23.102 -7.646 -1.224 1.00 0.00 C ATOM 86 NZ LYS A 7 -23.747 -7.214 0.043 1.00 0.00 N ATOM 0 HA LYS A 7 -19.157 -7.380 -4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -19.051 -7.574 -1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -19.445 -6.166 -2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -21.506 -7.222 -3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -21.093 -8.720 -2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -21.104 -7.467 -0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -21.670 -6.049 -1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -23.681 -7.279 -2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -23.107 -8.734 -1.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -24.720 -7.578 0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -23.208 -7.586 0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -23.764 -6.175 0.087 1.00 0.00 H new ATOM 100 N MET A 8 -16.752 -6.863 -4.646 1.00 0.00 N ATOM 101 CA MET A 8 -15.319 -6.644 -4.696 1.00 0.00 C ATOM 102 C MET A 8 -14.948 -5.285 -4.139 1.00 0.00 C ATOM 103 O MET A 8 -15.533 -4.263 -4.494 1.00 0.00 O ATOM 104 CB MET A 8 -14.787 -6.801 -6.120 1.00 0.00 C ATOM 105 CG MET A 8 -14.656 -8.251 -6.555 1.00 0.00 C ATOM 106 SD MET A 8 -14.072 -8.422 -8.251 1.00 0.00 S ATOM 107 CE MET A 8 -13.944 -10.204 -8.380 1.00 0.00 C ATOM 0 H MET A 8 -17.280 -6.392 -5.381 1.00 0.00 H new ATOM 0 HA MET A 8 -14.852 -7.404 -4.070 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.453 -6.281 -6.809 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.813 -6.318 -6.192 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.967 -8.766 -5.885 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.623 -8.744 -6.457 1.00 0.00 H new ATOM 0 HE1 MET A 8 -13.593 -10.472 -9.376 1.00 0.00 H new ATOM 0 HE2 MET A 8 -13.239 -10.573 -7.635 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.922 -10.653 -8.207 1.00 0.00 H new ATOM 117 N ILE A 9 -13.981 -5.304 -3.249 1.00 0.00 N ATOM 118 CA ILE A 9 -13.445 -4.105 -2.643 1.00 0.00 C ATOM 119 C ILE A 9 -12.044 -3.876 -3.183 1.00 0.00 C ATOM 120 O ILE A 9 -11.128 -4.643 -2.895 1.00 0.00 O ATOM 121 CB ILE A 9 -13.393 -4.251 -1.109 1.00 0.00 C ATOM 122 CG1 ILE A 9 -14.789 -4.540 -0.554 1.00 0.00 C ATOM 123 CG2 ILE A 9 -12.790 -3.021 -0.436 1.00 0.00 C ATOM 124 CD1 ILE A 9 -14.844 -4.595 0.957 1.00 0.00 C ATOM 0 H ILE A 9 -13.539 -6.163 -2.922 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.087 -3.258 -2.885 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.740 -5.094 -0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.476 -3.771 -0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.141 -5.490 -0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.773 -3.168 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.773 -2.871 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.393 -2.144 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.865 -4.804 1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.183 -5.383 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.524 -3.637 1.368 1.00 0.00 H new ATOM 136 N GLU A 10 -11.876 -2.835 -3.966 1.00 0.00 N ATOM 137 CA GLU A 10 -10.592 -2.569 -4.594 1.00 0.00 C ATOM 138 C GLU A 10 -9.825 -1.566 -3.756 1.00 0.00 C ATOM 139 O GLU A 10 -10.290 -0.448 -3.531 1.00 0.00 O ATOM 140 CB GLU A 10 -10.772 -2.027 -6.019 1.00 0.00 C ATOM 141 CG GLU A 10 -11.383 -3.025 -6.996 1.00 0.00 C ATOM 142 CD GLU A 10 -10.347 -3.662 -7.905 1.00 0.00 C ATOM 143 OE1 GLU A 10 -9.729 -4.671 -7.507 1.00 0.00 O ATOM 144 OE2 GLU A 10 -10.139 -3.151 -9.028 1.00 0.00 O ATOM 0 H GLU A 10 -12.606 -2.158 -4.186 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.036 -3.504 -4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.404 -1.140 -5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.801 -1.710 -6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.899 -3.805 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.133 -2.519 -7.604 1.00 0.00 H new ATOM 151 N VAL A 11 -8.658 -1.963 -3.286 1.00 0.00 N ATOM 152 CA VAL A 11 -7.852 -1.105 -2.444 1.00 0.00 C ATOM 153 C VAL A 11 -6.485 -0.925 -3.074 1.00 0.00 C ATOM 154 O VAL A 11 -5.922 -1.866 -3.635 1.00 0.00 O ATOM 155 CB VAL A 11 -7.695 -1.688 -1.019 1.00 0.00 C ATOM 156 CG1 VAL A 11 -6.867 -0.764 -0.135 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.057 -1.942 -0.389 1.00 0.00 C ATOM 0 H VAL A 11 -8.247 -2.877 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.357 -0.143 -2.357 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.168 -2.638 -1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.774 -1.200 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.876 -0.636 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.358 0.206 -0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.924 -2.352 0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.610 -1.005 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.614 -2.652 -1.000 1.00 0.00 H new ATOM 167 N VAL A 12 -5.966 0.282 -3.027 1.00 0.00 N ATOM 168 CA VAL A 12 -4.631 0.543 -3.520 1.00 0.00 C ATOM 169 C VAL A 12 -3.700 0.889 -2.371 1.00 0.00 C ATOM 170 O VAL A 12 -4.045 1.677 -1.488 1.00 0.00 O ATOM 171 CB VAL A 12 -4.606 1.665 -4.579 1.00 0.00 C ATOM 172 CG1 VAL A 12 -5.043 1.129 -5.934 1.00 0.00 C ATOM 173 CG2 VAL A 12 -5.490 2.831 -4.157 1.00 0.00 C ATOM 0 H VAL A 12 -6.448 1.099 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.285 -0.370 -4.004 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.582 2.029 -4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.019 1.934 -6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.367 0.333 -6.246 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.057 0.735 -5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.455 3.609 -4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.517 2.485 -4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.132 3.235 -3.210 1.00 0.00 H new ATOM 183 N ALA A 13 -2.533 0.273 -2.380 1.00 0.00 N ATOM 184 CA ALA A 13 -1.526 0.502 -1.367 1.00 0.00 C ATOM 185 C ALA A 13 -0.334 1.184 -2.009 1.00 0.00 C ATOM 186 O ALA A 13 0.142 0.754 -3.061 1.00 0.00 O ATOM 187 CB ALA A 13 -1.106 -0.814 -0.721 1.00 0.00 C ATOM 0 H ALA A 13 -2.258 -0.402 -3.093 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.935 1.141 -0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.348 -0.621 0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.973 -1.284 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.696 -1.478 -1.482 1.00 0.00 H new ATOM 193 N ALA A 14 0.136 2.246 -1.392 1.00 0.00 N ATOM 194 CA ALA A 14 1.239 3.002 -1.938 1.00 0.00 C ATOM 195 C ALA A 14 2.513 2.679 -1.197 1.00 0.00 C ATOM 196 O ALA A 14 2.621 2.897 0.011 1.00 0.00 O ATOM 197 CB ALA A 14 0.964 4.490 -1.860 1.00 0.00 C ATOM 0 H ALA A 14 -0.230 2.605 -0.510 1.00 0.00 H new ATOM 0 HA ALA A 14 1.354 2.724 -2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.809 5.038 -2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.063 4.724 -2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.822 4.780 -0.819 1.00 0.00 H new ATOM 203 N ILE A 15 3.478 2.160 -1.920 1.00 0.00 N ATOM 204 CA ILE A 15 4.770 1.885 -1.348 1.00 0.00 C ATOM 205 C ILE A 15 5.682 3.060 -1.630 1.00 0.00 C ATOM 206 O ILE A 15 6.198 3.206 -2.740 1.00 0.00 O ATOM 207 CB ILE A 15 5.367 0.574 -1.908 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.515 -0.614 -1.437 1.00 0.00 C ATOM 209 CG2 ILE A 15 6.824 0.405 -1.493 1.00 0.00 C ATOM 210 CD1 ILE A 15 5.216 -1.948 -1.521 1.00 0.00 C ATOM 0 H ILE A 15 3.390 1.920 -2.907 1.00 0.00 H new ATOM 0 HA ILE A 15 4.666 1.750 -0.271 1.00 0.00 H new ATOM 0 HB ILE A 15 5.350 0.616 -2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.209 -0.441 -0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.606 -0.655 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.213 -0.527 -1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.410 1.242 -1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.892 0.379 -0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.547 -2.734 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.498 -2.146 -2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.110 -1.929 -0.898 1.00 0.00 H new ATOM 222 N ILE A 16 5.845 3.919 -0.634 1.00 0.00 N ATOM 223 CA ILE A 16 6.644 5.117 -0.789 1.00 0.00 C ATOM 224 C ILE A 16 8.100 4.747 -0.582 1.00 0.00 C ATOM 225 O ILE A 16 8.530 4.542 0.552 1.00 0.00 O ATOM 226 CB ILE A 16 6.266 6.196 0.256 1.00 0.00 C ATOM 227 CG1 ILE A 16 4.759 6.186 0.559 1.00 0.00 C ATOM 228 CG2 ILE A 16 6.703 7.576 -0.226 1.00 0.00 C ATOM 229 CD1 ILE A 16 3.908 6.868 -0.485 1.00 0.00 C ATOM 0 H ILE A 16 5.431 3.804 0.291 1.00 0.00 H new ATOM 0 HA ILE A 16 6.466 5.523 -1.785 1.00 0.00 H new ATOM 0 HB ILE A 16 6.791 5.961 1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.428 5.152 0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.591 6.671 1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.431 8.324 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.783 7.585 -0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.208 7.806 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.860 6.814 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.207 7.912 -0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.042 6.370 -1.445 1.00 0.00 H new ATOM 241 N GLU A 17 8.852 4.633 -1.659 1.00 0.00 N ATOM 242 CA GLU A 17 10.230 4.203 -1.544 1.00 0.00 C ATOM 243 C GLU A 17 11.166 5.360 -1.836 1.00 0.00 C ATOM 244 O GLU A 17 11.221 5.873 -2.956 1.00 0.00 O ATOM 245 CB GLU A 17 10.527 3.025 -2.468 1.00 0.00 C ATOM 246 CG GLU A 17 11.926 2.463 -2.282 1.00 0.00 C ATOM 247 CD GLU A 17 12.208 1.281 -3.184 1.00 0.00 C ATOM 248 OE1 GLU A 17 12.181 1.460 -4.420 1.00 0.00 O ATOM 249 OE2 GLU A 17 12.458 0.177 -2.659 1.00 0.00 O ATOM 0 H GLU A 17 8.538 4.829 -2.609 1.00 0.00 H new ATOM 0 HA GLU A 17 10.393 3.867 -0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.797 2.236 -2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.404 3.342 -3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.657 3.247 -2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.056 2.160 -1.243 1.00 0.00 H new ATOM 256 N ARG A 18 11.879 5.777 -0.810 1.00 0.00 N ATOM 257 CA ARG A 18 12.821 6.867 -0.928 1.00 0.00 C ATOM 258 C ARG A 18 14.186 6.398 -0.455 1.00 0.00 C ATOM 259 O ARG A 18 14.323 5.902 0.664 1.00 0.00 O ATOM 260 CB ARG A 18 12.354 8.065 -0.102 1.00 0.00 C ATOM 261 CG ARG A 18 12.790 9.408 -0.664 1.00 0.00 C ATOM 262 CD ARG A 18 12.202 9.640 -2.046 1.00 0.00 C ATOM 263 NE ARG A 18 12.302 11.039 -2.465 1.00 0.00 N ATOM 264 CZ ARG A 18 12.015 11.471 -3.694 1.00 0.00 C ATOM 265 NH1 ARG A 18 11.693 10.608 -4.649 1.00 0.00 N ATOM 266 NH2 ARG A 18 12.053 12.768 -3.977 1.00 0.00 N ATOM 0 H ARG A 18 11.821 5.371 0.124 1.00 0.00 H new ATOM 0 HA ARG A 18 12.886 7.179 -1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.266 8.046 -0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.737 7.965 0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.474 10.206 0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.878 9.448 -0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.719 9.009 -2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.155 9.336 -2.049 1.00 0.00 H new ATOM 0 HE ARG A 18 12.610 11.725 -1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.664 9.609 -4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.474 10.944 -5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.303 13.441 -3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.832 13.091 -4.919 1.00 0.00 H new ATOM 280 N ASP A 19 15.176 6.517 -1.331 1.00 0.00 N ATOM 281 CA ASP A 19 16.548 6.108 -1.031 1.00 0.00 C ATOM 282 C ASP A 19 16.646 4.610 -0.782 1.00 0.00 C ATOM 283 O ASP A 19 17.631 4.135 -0.212 1.00 0.00 O ATOM 284 CB ASP A 19 17.109 6.866 0.180 1.00 0.00 C ATOM 285 CG ASP A 19 17.257 8.349 -0.086 1.00 0.00 C ATOM 286 OD1 ASP A 19 18.142 8.727 -0.889 1.00 0.00 O ATOM 287 OD2 ASP A 19 16.488 9.145 0.496 1.00 0.00 O ATOM 0 H ASP A 19 15.054 6.899 -2.269 1.00 0.00 H new ATOM 0 HA ASP A 19 17.145 6.356 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.450 6.717 1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.080 6.449 0.449 1.00 0.00 H new ATOM 292 N GLY A 20 15.643 3.856 -1.217 1.00 0.00 N ATOM 293 CA GLY A 20 15.666 2.425 -1.017 1.00 0.00 C ATOM 294 C GLY A 20 14.903 2.000 0.222 1.00 0.00 C ATOM 295 O GLY A 20 14.911 0.823 0.584 1.00 0.00 O ATOM 0 H GLY A 20 14.819 4.211 -1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.238 1.932 -1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.700 2.089 -0.936 1.00 0.00 H new ATOM 299 N LYS A 21 14.253 2.955 0.882 1.00 0.00 N ATOM 300 CA LYS A 21 13.490 2.660 2.090 1.00 0.00 C ATOM 301 C LYS A 21 12.011 2.966 1.882 1.00 0.00 C ATOM 302 O LYS A 21 11.655 3.866 1.123 1.00 0.00 O ATOM 303 CB LYS A 21 14.030 3.459 3.276 1.00 0.00 C ATOM 304 CG LYS A 21 15.538 3.367 3.434 1.00 0.00 C ATOM 305 CD LYS A 21 15.918 2.975 4.848 1.00 0.00 C ATOM 306 CE LYS A 21 17.414 2.744 4.984 1.00 0.00 C ATOM 307 NZ LYS A 21 18.193 3.978 4.699 1.00 0.00 N ATOM 0 H LYS A 21 14.240 3.936 0.602 1.00 0.00 H new ATOM 0 HA LYS A 21 13.598 1.597 2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.749 4.505 3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.555 3.103 4.190 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.936 2.635 2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.992 4.326 3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.606 3.758 5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.383 2.069 5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.638 2.398 5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.723 1.953 4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.194 3.818 4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.107 4.218 3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.824 4.762 5.274 1.00 0.00 H new ATOM 321 N ILE A 22 11.166 2.218 2.575 1.00 0.00 N ATOM 322 CA ILE A 22 9.723 2.303 2.407 1.00 0.00 C ATOM 323 C ILE A 22 9.079 3.043 3.579 1.00 0.00 C ATOM 324 O ILE A 22 9.524 2.924 4.724 1.00 0.00 O ATOM 325 CB ILE A 22 9.096 0.895 2.306 1.00 0.00 C ATOM 326 CG1 ILE A 22 9.939 -0.001 1.400 1.00 0.00 C ATOM 327 CG2 ILE A 22 7.672 0.983 1.778 1.00 0.00 C ATOM 328 CD1 ILE A 22 9.440 -1.424 1.332 1.00 0.00 C ATOM 0 H ILE A 22 11.462 1.534 3.271 1.00 0.00 H new ATOM 0 HA ILE A 22 9.537 2.852 1.484 1.00 0.00 H new ATOM 0 HB ILE A 22 9.071 0.458 3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.951 0.420 0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.968 -0.002 1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.245 -0.018 1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.070 1.591 2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.679 1.439 0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.084 -2.004 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.454 -1.862 2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.421 -1.434 0.945 1.00 0.00 H new ATOM 340 N LEU A 23 8.037 3.803 3.273 1.00 0.00 N ATOM 341 CA LEU A 23 7.300 4.568 4.269 1.00 0.00 C ATOM 342 C LEU A 23 6.205 3.720 4.920 1.00 0.00 C ATOM 343 O LEU A 23 5.336 3.179 4.233 1.00 0.00 O ATOM 344 CB LEU A 23 6.681 5.799 3.600 1.00 0.00 C ATOM 345 CG LEU A 23 5.856 6.713 4.507 1.00 0.00 C ATOM 346 CD1 LEU A 23 6.749 7.399 5.528 1.00 0.00 C ATOM 347 CD2 LEU A 23 5.100 7.736 3.672 1.00 0.00 C ATOM 0 H LEU A 23 7.678 3.907 2.324 1.00 0.00 H new ATOM 0 HA LEU A 23 7.991 4.879 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.483 6.389 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.044 5.462 2.782 1.00 0.00 H new ATOM 0 HG LEU A 23 5.130 6.107 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.144 8.045 6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.245 6.647 6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.499 7.998 5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.516 8.381 4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.810 8.340 3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.432 7.220 2.982 1.00 0.00 H new ATOM 359 N LEU A 24 6.259 3.608 6.240 1.00 0.00 N ATOM 360 CA LEU A 24 5.217 2.917 6.998 1.00 0.00 C ATOM 361 C LEU A 24 4.512 3.877 7.946 1.00 0.00 C ATOM 362 O LEU A 24 5.127 4.799 8.481 1.00 0.00 O ATOM 363 CB LEU A 24 5.778 1.738 7.801 1.00 0.00 C ATOM 364 CG LEU A 24 6.180 0.511 6.984 1.00 0.00 C ATOM 365 CD1 LEU A 24 6.679 -0.601 7.893 1.00 0.00 C ATOM 366 CD2 LEU A 24 5.025 0.026 6.124 1.00 0.00 C ATOM 0 H LEU A 24 7.014 3.987 6.812 1.00 0.00 H new ATOM 0 HA LEU A 24 4.504 2.530 6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.650 2.083 8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.032 1.434 8.535 1.00 0.00 H new ATOM 0 HG LEU A 24 6.994 0.801 6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.960 -1.465 7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.547 -0.252 8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.889 -0.885 8.588 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.338 -0.848 5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.183 -0.241 6.763 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.724 0.818 5.439 1.00 0.00 H new ATOM 378 N ALA A 25 3.223 3.647 8.141 1.00 0.00 N ATOM 379 CA ALA A 25 2.423 4.455 9.049 1.00 0.00 C ATOM 380 C ALA A 25 1.828 3.580 10.144 1.00 0.00 C ATOM 381 O ALA A 25 1.145 2.604 9.850 1.00 0.00 O ATOM 382 CB ALA A 25 1.319 5.167 8.284 1.00 0.00 C ATOM 0 H ALA A 25 2.704 2.900 7.678 1.00 0.00 H new ATOM 0 HA ALA A 25 3.065 5.204 9.511 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.727 5.768 8.974 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.761 5.814 7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.676 4.430 7.802 1.00 0.00 H new ATOM 388 N GLN A 26 2.120 3.906 11.399 1.00 0.00 N ATOM 389 CA GLN A 26 1.604 3.123 12.520 1.00 0.00 C ATOM 390 C GLN A 26 0.100 3.301 12.675 1.00 0.00 C ATOM 391 O GLN A 26 -0.387 4.361 13.089 1.00 0.00 O ATOM 392 CB GLN A 26 2.320 3.485 13.829 1.00 0.00 C ATOM 393 CG GLN A 26 2.161 2.450 14.951 1.00 0.00 C ATOM 394 CD GLN A 26 0.844 2.549 15.710 1.00 0.00 C ATOM 395 OE1 GLN A 26 -0.138 1.886 15.376 1.00 0.00 O ATOM 396 NE2 GLN A 26 0.817 3.377 16.739 1.00 0.00 N ATOM 0 H GLN A 26 2.705 4.698 11.666 1.00 0.00 H new ATOM 0 HA GLN A 26 1.803 2.074 12.299 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.382 3.617 13.622 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.942 4.445 14.181 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.247 1.451 14.523 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.984 2.566 15.657 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.651 3.910 16.986 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.037 3.483 17.286 1.00 0.00 H new ATOM 520 N GLY A 35 -0.523 -0.547 17.079 1.00 0.00 N ATOM 521 CA GLY A 35 0.894 -0.823 17.224 1.00 0.00 C ATOM 522 C GLY A 35 1.508 -1.304 15.933 1.00 0.00 C ATOM 523 O GLY A 35 2.727 -1.389 15.797 1.00 0.00 O ATOM 0 HA2 GLY A 35 1.407 0.079 17.556 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.040 -1.576 17.998 1.00 0.00 H new ATOM 527 N LEU A 36 0.644 -1.626 14.998 1.00 0.00 N ATOM 528 CA LEU A 36 1.031 -2.147 13.701 1.00 0.00 C ATOM 529 C LEU A 36 1.362 -1.022 12.726 1.00 0.00 C ATOM 530 O LEU A 36 0.911 0.104 12.895 1.00 0.00 O ATOM 531 CB LEU A 36 -0.111 -3.000 13.140 1.00 0.00 C ATOM 532 CG LEU A 36 -0.261 -4.413 13.730 1.00 0.00 C ATOM 533 CD1 LEU A 36 -0.366 -4.395 15.248 1.00 0.00 C ATOM 534 CD2 LEU A 36 -1.485 -5.079 13.144 1.00 0.00 C ATOM 0 H LEU A 36 -0.365 -1.533 15.116 1.00 0.00 H new ATOM 0 HA LEU A 36 1.927 -2.755 13.826 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.047 -2.463 13.296 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.028 -3.092 12.063 1.00 0.00 H new ATOM 0 HG LEU A 36 0.636 -4.975 13.470 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.470 -5.415 15.618 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.534 -3.947 15.670 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.237 -3.810 15.546 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.590 -6.080 13.563 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.370 -4.490 13.385 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.379 -5.148 12.061 1.00 0.00 H new ATOM 546 N TRP A 37 2.161 -1.331 11.715 1.00 0.00 N ATOM 547 CA TRP A 37 2.470 -0.370 10.664 1.00 0.00 C ATOM 548 C TRP A 37 1.867 -0.861 9.356 1.00 0.00 C ATOM 549 O TRP A 37 1.764 -2.067 9.135 1.00 0.00 O ATOM 550 CB TRP A 37 3.986 -0.160 10.520 1.00 0.00 C ATOM 551 CG TRP A 37 4.649 0.259 11.802 1.00 0.00 C ATOM 552 CD1 TRP A 37 4.917 -0.531 12.885 1.00 0.00 C ATOM 553 CD2 TRP A 37 5.119 1.570 12.139 1.00 0.00 C ATOM 554 NE1 TRP A 37 5.516 0.209 13.874 1.00 0.00 N ATOM 555 CE2 TRP A 37 5.656 1.500 13.440 1.00 0.00 C ATOM 556 CE3 TRP A 37 5.141 2.795 11.470 1.00 0.00 C ATOM 557 CZ2 TRP A 37 6.205 2.608 14.081 1.00 0.00 C ATOM 558 CZ3 TRP A 37 5.683 3.894 12.106 1.00 0.00 C ATOM 559 CH2 TRP A 37 6.210 3.795 13.400 1.00 0.00 C ATOM 0 H TRP A 37 2.608 -2.241 11.599 1.00 0.00 H new ATOM 0 HA TRP A 37 2.039 0.595 10.929 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.443 -1.085 10.167 1.00 0.00 H new ATOM 0 HB3 TRP A 37 4.171 0.597 9.758 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.690 -1.585 12.953 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.809 -0.145 14.784 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.740 2.882 10.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 6.612 2.533 15.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.701 4.846 11.597 1.00 0.00 H new ATOM 0 HH2 TRP A 37 6.629 4.673 13.870 1.00 0.00 H new ATOM 570 N GLU A 38 1.440 0.062 8.512 1.00 0.00 N ATOM 571 CA GLU A 38 0.730 -0.296 7.291 1.00 0.00 C ATOM 572 C GLU A 38 1.251 0.507 6.105 1.00 0.00 C ATOM 573 O GLU A 38 1.903 1.546 6.284 1.00 0.00 O ATOM 574 CB GLU A 38 -0.770 -0.030 7.476 1.00 0.00 C ATOM 575 CG GLU A 38 -1.094 1.447 7.686 1.00 0.00 C ATOM 576 CD GLU A 38 -2.562 1.725 7.967 1.00 0.00 C ATOM 577 OE1 GLU A 38 -3.420 1.323 7.157 1.00 0.00 O ATOM 578 OE2 GLU A 38 -2.854 2.392 8.986 1.00 0.00 O ATOM 0 H GLU A 38 1.571 1.064 8.647 1.00 0.00 H new ATOM 0 HA GLU A 38 0.896 -1.354 7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.308 -0.393 6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.131 -0.601 8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.498 1.824 8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.793 2.004 6.799 1.00 0.00 H new ATOM 585 N PHE A 39 0.971 0.020 4.903 1.00 0.00 N ATOM 586 CA PHE A 39 1.270 0.761 3.687 1.00 0.00 C ATOM 587 C PHE A 39 0.114 1.705 3.376 1.00 0.00 C ATOM 588 O PHE A 39 -1.011 1.265 3.140 1.00 0.00 O ATOM 589 CB PHE A 39 1.509 -0.192 2.512 1.00 0.00 C ATOM 590 CG PHE A 39 2.752 -1.005 2.637 1.00 0.00 C ATOM 591 CD1 PHE A 39 3.958 -0.513 2.188 1.00 0.00 C ATOM 592 CD2 PHE A 39 2.710 -2.265 3.194 1.00 0.00 C ATOM 593 CE1 PHE A 39 5.104 -1.262 2.298 1.00 0.00 C ATOM 594 CE2 PHE A 39 3.850 -3.022 3.307 1.00 0.00 C ATOM 595 CZ PHE A 39 5.055 -2.522 2.858 1.00 0.00 C ATOM 0 H PHE A 39 0.536 -0.889 4.745 1.00 0.00 H new ATOM 0 HA PHE A 39 2.181 1.339 3.840 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.655 -0.863 2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.557 0.388 1.590 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.003 0.471 1.745 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.769 -2.662 3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.044 -0.864 1.946 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.803 -4.007 3.747 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.955 -3.113 2.944 1.00 0.00 H new ATOM 605 N ALA A 40 0.396 3.003 3.393 1.00 0.00 N ATOM 606 CA ALA A 40 -0.633 4.016 3.183 1.00 0.00 C ATOM 607 C ALA A 40 -1.301 3.853 1.823 1.00 0.00 C ATOM 608 O ALA A 40 -0.685 3.380 0.872 1.00 0.00 O ATOM 609 CB ALA A 40 -0.035 5.407 3.318 1.00 0.00 C ATOM 0 H ALA A 40 1.331 3.380 3.550 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.398 3.884 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.812 6.154 3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.385 5.527 4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.752 5.538 2.575 1.00 0.00 H new ATOM 615 N GLY A 41 -2.556 4.263 1.732 1.00 0.00 N ATOM 616 CA GLY A 41 -3.304 4.090 0.510 1.00 0.00 C ATOM 617 C GLY A 41 -4.774 4.362 0.721 1.00 0.00 C ATOM 618 O GLY A 41 -5.138 5.196 1.550 1.00 0.00 O ATOM 0 H GLY A 41 -3.070 4.715 2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.914 4.761 -0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.170 3.073 0.140 1.00 0.00 H new ATOM 622 N GLY A 42 -5.620 3.645 -0.001 1.00 0.00 N ATOM 623 CA GLY A 42 -7.046 3.867 0.111 1.00 0.00 C ATOM 624 C GLY A 42 -7.856 3.015 -0.836 1.00 0.00 C ATOM 625 O GLY A 42 -7.305 2.309 -1.680 1.00 0.00 O ATOM 0 H GLY A 42 -5.347 2.916 -0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.360 3.661 1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.260 4.918 -0.083 1.00 0.00 H new ATOM 629 N LYS A 43 -9.164 3.064 -0.668 1.00 0.00 N ATOM 630 CA LYS A 43 -10.081 2.351 -1.538 1.00 0.00 C ATOM 631 C LYS A 43 -10.257 3.104 -2.857 1.00 0.00 C ATOM 632 O LYS A 43 -10.173 4.330 -2.899 1.00 0.00 O ATOM 633 CB LYS A 43 -11.420 2.169 -0.823 1.00 0.00 C ATOM 634 CG LYS A 43 -12.484 1.457 -1.641 1.00 0.00 C ATOM 635 CD LYS A 43 -13.743 1.254 -0.821 1.00 0.00 C ATOM 636 CE LYS A 43 -14.883 0.707 -1.659 1.00 0.00 C ATOM 637 NZ LYS A 43 -16.119 0.542 -0.850 1.00 0.00 N ATOM 0 H LYS A 43 -9.620 3.597 0.073 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.673 1.368 -1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.252 1.608 0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.799 3.149 -0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.715 2.040 -2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.105 0.493 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.535 0.568 0.000 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.043 2.203 -0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.079 1.381 -2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.595 -0.254 -2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.880 0.166 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.937 -0.120 -0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.406 1.464 -0.463 1.00 0.00 H new ATOM 651 N VAL A 44 -10.494 2.356 -3.923 1.00 0.00 N ATOM 652 CA VAL A 44 -10.598 2.919 -5.262 1.00 0.00 C ATOM 653 C VAL A 44 -12.049 3.173 -5.647 1.00 0.00 C ATOM 654 O VAL A 44 -12.884 2.266 -5.589 1.00 0.00 O ATOM 655 CB VAL A 44 -9.964 1.967 -6.300 1.00 0.00 C ATOM 656 CG1 VAL A 44 -10.110 2.512 -7.715 1.00 0.00 C ATOM 657 CG2 VAL A 44 -8.500 1.726 -5.970 1.00 0.00 C ATOM 0 H VAL A 44 -10.620 1.344 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.063 3.869 -5.256 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.496 1.017 -6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.653 1.818 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.167 2.628 -7.953 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.614 3.480 -7.785 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.066 1.053 -6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.963 2.675 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.419 1.277 -4.980 1.00 0.00 H new ATOM 667 N GLU A 45 -12.348 4.409 -6.018 1.00 0.00 N ATOM 668 CA GLU A 45 -13.622 4.718 -6.626 1.00 0.00 C ATOM 669 C GLU A 45 -13.564 4.309 -8.091 1.00 0.00 C ATOM 670 O GLU A 45 -12.596 4.618 -8.782 1.00 0.00 O ATOM 671 CB GLU A 45 -13.936 6.211 -6.499 1.00 0.00 C ATOM 672 CG GLU A 45 -14.086 6.689 -5.061 1.00 0.00 C ATOM 673 CD GLU A 45 -14.405 8.169 -4.964 1.00 0.00 C ATOM 674 OE1 GLU A 45 -15.556 8.555 -5.255 1.00 0.00 O ATOM 675 OE2 GLU A 45 -13.517 8.958 -4.580 1.00 0.00 O ATOM 0 H GLU A 45 -11.724 5.208 -5.907 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.415 4.171 -6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.142 6.782 -6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.857 6.426 -7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.877 6.119 -4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.164 6.484 -4.517 1.00 0.00 H new ATOM 682 N PRO A 46 -14.586 3.604 -8.591 1.00 0.00 N ATOM 683 CA PRO A 46 -14.594 3.094 -9.969 1.00 0.00 C ATOM 684 C PRO A 46 -14.377 4.202 -10.997 1.00 0.00 C ATOM 685 O PRO A 46 -13.821 3.974 -12.073 1.00 0.00 O ATOM 686 CB PRO A 46 -15.994 2.479 -10.125 1.00 0.00 C ATOM 687 CG PRO A 46 -16.792 3.003 -8.976 1.00 0.00 C ATOM 688 CD PRO A 46 -15.813 3.251 -7.868 1.00 0.00 C ATOM 0 HA PRO A 46 -13.787 2.382 -10.142 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.443 2.763 -11.077 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.948 1.390 -10.107 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.312 3.921 -9.249 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.553 2.285 -8.670 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.141 4.056 -7.211 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.675 2.367 -7.245 1.00 0.00 H new ATOM 696 N ASP A 47 -14.819 5.399 -10.649 1.00 0.00 N ATOM 697 CA ASP A 47 -14.716 6.540 -11.546 1.00 0.00 C ATOM 698 C ASP A 47 -13.357 7.238 -11.458 1.00 0.00 C ATOM 699 O ASP A 47 -13.135 8.249 -12.124 1.00 0.00 O ATOM 700 CB ASP A 47 -15.846 7.536 -11.280 1.00 0.00 C ATOM 701 CG ASP A 47 -17.220 6.938 -11.528 1.00 0.00 C ATOM 702 OD1 ASP A 47 -17.517 6.567 -12.683 1.00 0.00 O ATOM 703 OD2 ASP A 47 -18.013 6.842 -10.569 1.00 0.00 O ATOM 0 H ASP A 47 -15.254 5.607 -9.750 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.810 6.153 -12.561 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.785 7.882 -10.248 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.713 8.410 -11.918 1.00 0.00 H new ATOM 708 N GLU A 48 -12.450 6.708 -10.647 1.00 0.00 N ATOM 709 CA GLU A 48 -11.085 7.227 -10.606 1.00 0.00 C ATOM 710 C GLU A 48 -10.096 6.114 -10.907 1.00 0.00 C ATOM 711 O GLU A 48 -10.446 4.934 -10.874 1.00 0.00 O ATOM 712 CB GLU A 48 -10.770 7.890 -9.255 1.00 0.00 C ATOM 713 CG GLU A 48 -10.721 6.948 -8.071 1.00 0.00 C ATOM 714 CD GLU A 48 -10.440 7.684 -6.778 1.00 0.00 C ATOM 715 OE1 GLU A 48 -9.957 8.841 -6.840 1.00 0.00 O ATOM 716 OE2 GLU A 48 -10.713 7.126 -5.701 1.00 0.00 O ATOM 0 H GLU A 48 -12.630 5.928 -10.015 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.993 7.998 -11.371 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.810 8.400 -9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.522 8.655 -9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.670 6.418 -7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.949 6.196 -8.236 1.00 0.00 H new ATOM 723 N SER A 49 -8.872 6.486 -11.234 1.00 0.00 N ATOM 724 CA SER A 49 -7.853 5.511 -11.562 1.00 0.00 C ATOM 725 C SER A 49 -7.209 4.975 -10.292 1.00 0.00 C ATOM 726 O SER A 49 -7.256 5.625 -9.253 1.00 0.00 O ATOM 727 CB SER A 49 -6.798 6.150 -12.460 1.00 0.00 C ATOM 728 OG SER A 49 -7.397 6.784 -13.575 1.00 0.00 O ATOM 0 H SER A 49 -8.561 7.456 -11.279 1.00 0.00 H new ATOM 0 HA SER A 49 -8.315 4.679 -12.093 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.222 6.878 -11.889 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.098 5.388 -12.803 1.00 0.00 H new ATOM 0 HG SER A 49 -6.701 7.188 -14.135 1.00 0.00 H new ATOM 734 N GLN A 50 -6.589 3.805 -10.375 1.00 0.00 N ATOM 735 CA GLN A 50 -5.959 3.207 -9.206 1.00 0.00 C ATOM 736 C GLN A 50 -4.758 4.039 -8.781 1.00 0.00 C ATOM 737 O GLN A 50 -4.525 4.249 -7.592 1.00 0.00 O ATOM 738 CB GLN A 50 -5.541 1.766 -9.491 1.00 0.00 C ATOM 739 CG GLN A 50 -6.683 0.911 -10.013 1.00 0.00 C ATOM 740 CD GLN A 50 -6.370 -0.573 -10.006 1.00 0.00 C ATOM 741 OE1 GLN A 50 -5.215 -0.982 -10.100 1.00 0.00 O ATOM 742 NE2 GLN A 50 -7.408 -1.390 -9.902 1.00 0.00 N ATOM 0 H GLN A 50 -6.509 3.256 -11.231 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.683 3.191 -8.391 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.731 1.766 -10.220 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.148 1.320 -8.578 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.570 1.091 -9.406 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.924 1.220 -11.030 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.351 -1.009 -9.826 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.264 -2.400 -9.898 1.00 0.00 H new ATOM 751 N ARG A 51 -4.010 4.533 -9.763 1.00 0.00 N ATOM 752 CA ARG A 51 -2.913 5.452 -9.488 1.00 0.00 C ATOM 753 C ARG A 51 -3.469 6.754 -8.934 1.00 0.00 C ATOM 754 O ARG A 51 -2.886 7.370 -8.048 1.00 0.00 O ATOM 755 CB ARG A 51 -2.114 5.776 -10.753 1.00 0.00 C ATOM 756 CG ARG A 51 -1.614 4.575 -11.533 1.00 0.00 C ATOM 757 CD ARG A 51 -0.711 5.027 -12.672 1.00 0.00 C ATOM 758 NE ARG A 51 -0.319 3.933 -13.553 1.00 0.00 N ATOM 759 CZ ARG A 51 0.883 3.830 -14.116 1.00 0.00 C ATOM 760 NH1 ARG A 51 1.833 4.718 -13.835 1.00 0.00 N ATOM 761 NH2 ARG A 51 1.136 2.830 -14.950 1.00 0.00 N ATOM 0 H ARG A 51 -4.143 4.313 -10.750 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.253 4.968 -8.768 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.738 6.381 -11.411 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.257 6.389 -10.474 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.068 3.904 -10.870 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.459 4.013 -11.930 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.225 5.791 -13.256 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.184 5.491 -12.257 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.005 3.205 -13.749 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.642 5.481 -13.186 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.753 4.635 -14.269 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.411 2.143 -15.158 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.056 2.748 -15.383 1.00 0.00 H new ATOM 775 N GLN A 52 -4.623 7.142 -9.457 1.00 0.00 N ATOM 776 CA GLN A 52 -5.233 8.417 -9.126 1.00 0.00 C ATOM 777 C GLN A 52 -5.774 8.390 -7.704 1.00 0.00 C ATOM 778 O GLN A 52 -5.640 9.361 -6.959 1.00 0.00 O ATOM 779 CB GLN A 52 -6.348 8.727 -10.124 1.00 0.00 C ATOM 780 CG GLN A 52 -6.993 10.081 -9.920 1.00 0.00 C ATOM 781 CD GLN A 52 -7.946 10.443 -11.038 1.00 0.00 C ATOM 782 OE1 GLN A 52 -7.540 10.991 -12.061 1.00 0.00 O ATOM 783 NE2 GLN A 52 -9.222 10.166 -10.842 1.00 0.00 N ATOM 0 H GLN A 52 -5.159 6.583 -10.120 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.480 9.202 -9.187 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.942 8.677 -11.134 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.114 7.955 -10.050 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.532 10.084 -8.972 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.217 10.843 -9.848 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.518 9.710 -9.979 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.912 10.408 -11.554 1.00 0.00 H new ATOM 792 N ALA A 53 -6.377 7.265 -7.339 1.00 0.00 N ATOM 793 CA ALA A 53 -6.878 7.061 -5.991 1.00 0.00 C ATOM 794 C ALA A 53 -5.741 7.152 -4.981 1.00 0.00 C ATOM 795 O ALA A 53 -5.871 7.807 -3.953 1.00 0.00 O ATOM 796 CB ALA A 53 -7.590 5.721 -5.895 1.00 0.00 C ATOM 0 H ALA A 53 -6.530 6.475 -7.966 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.597 7.847 -5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.962 5.578 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.426 5.703 -6.594 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.893 4.920 -6.142 1.00 0.00 H new ATOM 802 N LEU A 54 -4.617 6.521 -5.292 1.00 0.00 N ATOM 803 CA LEU A 54 -3.437 6.619 -4.440 1.00 0.00 C ATOM 804 C LEU A 54 -2.968 8.057 -4.325 1.00 0.00 C ATOM 805 O LEU A 54 -2.697 8.546 -3.232 1.00 0.00 O ATOM 806 CB LEU A 54 -2.302 5.753 -4.977 1.00 0.00 C ATOM 807 CG LEU A 54 -2.391 4.281 -4.600 1.00 0.00 C ATOM 808 CD1 LEU A 54 -1.199 3.516 -5.146 1.00 0.00 C ATOM 809 CD2 LEU A 54 -2.484 4.134 -3.089 1.00 0.00 C ATOM 0 H LEU A 54 -4.496 5.940 -6.121 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.718 6.259 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.284 5.835 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.355 6.151 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.292 3.859 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.281 2.466 -4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.179 3.601 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.280 3.931 -4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.547 3.077 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.598 4.569 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.373 4.650 -2.727 1.00 0.00 H new ATOM 821 N VAL A 55 -2.913 8.739 -5.458 1.00 0.00 N ATOM 822 CA VAL A 55 -2.447 10.117 -5.493 1.00 0.00 C ATOM 823 C VAL A 55 -3.303 11.001 -4.593 1.00 0.00 C ATOM 824 O VAL A 55 -2.779 11.815 -3.833 1.00 0.00 O ATOM 825 CB VAL A 55 -2.434 10.685 -6.929 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.240 12.195 -6.920 1.00 0.00 C ATOM 827 CG2 VAL A 55 -1.341 10.022 -7.749 1.00 0.00 C ATOM 0 H VAL A 55 -3.185 8.361 -6.366 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.422 10.116 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.400 10.469 -7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.235 12.567 -7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.055 12.663 -6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.291 12.437 -6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.344 10.432 -8.759 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.373 10.209 -7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.520 8.948 -7.793 1.00 0.00 H new ATOM 837 N ARG A 56 -4.619 10.826 -4.656 1.00 0.00 N ATOM 838 CA ARG A 56 -5.515 11.632 -3.843 1.00 0.00 C ATOM 839 C ARG A 56 -5.490 11.188 -2.382 1.00 0.00 C ATOM 840 O ARG A 56 -5.400 12.020 -1.488 1.00 0.00 O ATOM 841 CB ARG A 56 -6.942 11.639 -4.419 1.00 0.00 C ATOM 842 CG ARG A 56 -7.571 10.269 -4.603 1.00 0.00 C ATOM 843 CD ARG A 56 -8.263 9.781 -3.345 1.00 0.00 C ATOM 844 NE ARG A 56 -9.333 10.672 -2.915 1.00 0.00 N ATOM 845 CZ ARG A 56 -10.615 10.492 -3.210 1.00 0.00 C ATOM 846 NH1 ARG A 56 -10.993 9.469 -3.973 1.00 0.00 N ATOM 847 NH2 ARG A 56 -11.515 11.349 -2.743 1.00 0.00 N ATOM 0 H ARG A 56 -5.082 10.142 -5.254 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.155 12.660 -3.871 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.580 12.229 -3.760 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.925 12.146 -5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.292 10.309 -5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.801 9.554 -4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.672 8.786 -3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.530 9.686 -2.544 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.081 11.485 -2.352 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.296 8.818 -4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.979 9.336 -4.196 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.219 12.135 -2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.503 11.221 -2.963 1.00 0.00 H new ATOM 861 N GLU A 57 -5.542 9.881 -2.139 1.00 0.00 N ATOM 862 CA GLU A 57 -5.565 9.366 -0.773 1.00 0.00 C ATOM 863 C GLU A 57 -4.318 9.778 -0.002 1.00 0.00 C ATOM 864 O GLU A 57 -4.402 10.171 1.158 1.00 0.00 O ATOM 865 CB GLU A 57 -5.711 7.839 -0.757 1.00 0.00 C ATOM 866 CG GLU A 57 -7.095 7.349 -1.159 1.00 0.00 C ATOM 867 CD GLU A 57 -8.168 7.708 -0.148 1.00 0.00 C ATOM 868 OE1 GLU A 57 -8.686 8.842 -0.195 1.00 0.00 O ATOM 869 OE2 GLU A 57 -8.504 6.854 0.700 1.00 0.00 O ATOM 0 H GLU A 57 -5.569 9.164 -2.864 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.434 9.803 -0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.973 7.406 -1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.483 7.472 0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.358 7.775 -2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.069 6.267 -1.284 1.00 0.00 H new ATOM 876 N LEU A 58 -3.162 9.709 -0.646 1.00 0.00 N ATOM 877 CA LEU A 58 -1.927 10.119 0.008 1.00 0.00 C ATOM 878 C LEU A 58 -1.914 11.624 0.181 1.00 0.00 C ATOM 879 O LEU A 58 -1.366 12.140 1.140 1.00 0.00 O ATOM 880 CB LEU A 58 -0.694 9.705 -0.784 1.00 0.00 C ATOM 881 CG LEU A 58 -0.657 8.249 -1.236 1.00 0.00 C ATOM 882 CD1 LEU A 58 0.627 7.962 -1.995 1.00 0.00 C ATOM 883 CD2 LEU A 58 -0.810 7.309 -0.053 1.00 0.00 C ATOM 0 H LEU A 58 -3.053 9.379 -1.605 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.893 9.620 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.620 10.342 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.189 9.900 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.498 8.078 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.638 6.919 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.683 8.607 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.483 8.154 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.780 6.277 -0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.004 7.477 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.763 7.498 0.441 1.00 0.00 H new ATOM 895 N ARG A 59 -2.506 12.330 -0.765 1.00 0.00 N ATOM 896 CA ARG A 59 -2.615 13.773 -0.670 1.00 0.00 C ATOM 897 C ARG A 59 -3.491 14.172 0.508 1.00 0.00 C ATOM 898 O ARG A 59 -3.218 15.156 1.191 1.00 0.00 O ATOM 899 CB ARG A 59 -3.185 14.347 -1.963 1.00 0.00 C ATOM 900 CG ARG A 59 -3.307 15.856 -1.946 1.00 0.00 C ATOM 901 CD ARG A 59 -3.714 16.392 -3.305 1.00 0.00 C ATOM 902 NE ARG A 59 -3.352 17.797 -3.466 1.00 0.00 N ATOM 903 CZ ARG A 59 -3.361 18.434 -4.636 1.00 0.00 C ATOM 904 NH1 ARG A 59 -3.832 17.825 -5.719 1.00 0.00 N ATOM 905 NH2 ARG A 59 -2.921 19.683 -4.715 1.00 0.00 N ATOM 0 H ARG A 59 -2.918 11.928 -1.607 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.616 14.180 -0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.548 14.050 -2.796 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.168 13.912 -2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.043 16.155 -1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.355 16.296 -1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.235 15.802 -4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.790 16.277 -3.433 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.076 18.321 -2.635 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.186 16.871 -5.654 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.839 18.312 -6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.576 20.156 -3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.928 20.170 -5.611 1.00 0.00 H new ATOM 919 N GLU A 60 -4.539 13.405 0.747 1.00 0.00 N ATOM 920 CA GLU A 60 -5.474 13.733 1.805 1.00 0.00 C ATOM 921 C GLU A 60 -4.998 13.208 3.156 1.00 0.00 C ATOM 922 O GLU A 60 -5.176 13.866 4.181 1.00 0.00 O ATOM 923 CB GLU A 60 -6.869 13.184 1.477 1.00 0.00 C ATOM 924 CG GLU A 60 -7.365 13.591 0.098 1.00 0.00 C ATOM 925 CD GLU A 60 -8.810 13.207 -0.163 1.00 0.00 C ATOM 926 OE1 GLU A 60 -9.655 13.401 0.736 1.00 0.00 O ATOM 927 OE2 GLU A 60 -9.109 12.737 -1.282 1.00 0.00 O ATOM 0 H GLU A 60 -4.762 12.557 0.226 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.530 14.819 1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.849 12.096 1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.576 13.535 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.258 14.670 -0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.732 13.128 -0.659 1.00 0.00 H new ATOM 934 N GLU A 61 -4.410 12.022 3.161 1.00 0.00 N ATOM 935 CA GLU A 61 -3.897 11.448 4.400 1.00 0.00 C ATOM 936 C GLU A 61 -2.494 11.930 4.712 1.00 0.00 C ATOM 937 O GLU A 61 -2.238 12.424 5.810 1.00 0.00 O ATOM 938 CB GLU A 61 -3.895 9.922 4.350 1.00 0.00 C ATOM 939 CG GLU A 61 -5.264 9.319 4.516 1.00 0.00 C ATOM 940 CD GLU A 61 -5.832 9.668 5.868 1.00 0.00 C ATOM 941 OE1 GLU A 61 -5.088 9.554 6.865 1.00 0.00 O ATOM 942 OE2 GLU A 61 -7.005 10.093 5.940 1.00 0.00 O ATOM 0 H GLU A 61 -4.276 11.442 2.333 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.569 11.784 5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.476 9.597 3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.240 9.541 5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.927 9.684 3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.207 8.236 4.407 1.00 0.00 H new ATOM 949 N LEU A 62 -1.590 11.802 3.751 1.00 0.00 N ATOM 950 CA LEU A 62 -0.193 12.092 4.008 1.00 0.00 C ATOM 951 C LEU A 62 0.142 13.533 3.651 1.00 0.00 C ATOM 952 O LEU A 62 1.131 14.079 4.132 1.00 0.00 O ATOM 953 CB LEU A 62 0.701 11.139 3.208 1.00 0.00 C ATOM 954 CG LEU A 62 0.402 9.647 3.388 1.00 0.00 C ATOM 955 CD1 LEU A 62 1.358 8.818 2.543 1.00 0.00 C ATOM 956 CD2 LEU A 62 0.509 9.249 4.853 1.00 0.00 C ATOM 0 H LEU A 62 -1.798 11.503 2.798 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.011 11.950 5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.609 11.385 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.738 11.320 3.489 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.619 9.456 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.138 7.759 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.238 9.083 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.384 9.017 2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.293 8.186 4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.518 9.451 5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.207 9.824 5.440 1.00 0.00 H new ATOM 968 N GLY A 63 -0.666 14.145 2.797 1.00 0.00 N ATOM 969 CA GLY A 63 -0.442 15.532 2.459 1.00 0.00 C ATOM 970 C GLY A 63 0.627 15.674 1.397 1.00 0.00 C ATOM 971 O GLY A 63 1.241 16.732 1.256 1.00 0.00 O ATOM 0 H GLY A 63 -1.465 13.709 2.337 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.372 15.977 2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.146 16.083 3.352 1.00 0.00 H new ATOM 975 N ILE A 64 0.849 14.604 0.639 1.00 0.00 N ATOM 976 CA ILE A 64 1.887 14.599 -0.381 1.00 0.00 C ATOM 977 C ILE A 64 1.296 14.357 -1.763 1.00 0.00 C ATOM 978 O ILE A 64 0.353 13.582 -1.926 1.00 0.00 O ATOM 979 CB ILE A 64 2.986 13.536 -0.114 1.00 0.00 C ATOM 980 CG1 ILE A 64 2.395 12.121 -0.057 1.00 0.00 C ATOM 981 CG2 ILE A 64 3.736 13.848 1.169 1.00 0.00 C ATOM 982 CD1 ILE A 64 3.449 11.035 0.054 1.00 0.00 C ATOM 0 H ILE A 64 0.324 13.732 0.713 1.00 0.00 H new ATOM 0 HA ILE A 64 2.349 15.586 -0.340 1.00 0.00 H new ATOM 0 HB ILE A 64 3.689 13.573 -0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.720 12.051 0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.798 11.948 -0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.501 13.090 1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.207 14.827 1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.039 13.851 2.007 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.964 10.060 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.110 11.080 -0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.031 11.184 0.963 1.00 0.00 H new ATOM 994 N GLU A 65 1.852 15.037 -2.748 1.00 0.00 N ATOM 995 CA GLU A 65 1.482 14.824 -4.134 1.00 0.00 C ATOM 996 C GLU A 65 2.382 13.750 -4.718 1.00 0.00 C ATOM 997 O GLU A 65 3.494 14.029 -5.166 1.00 0.00 O ATOM 998 CB GLU A 65 1.606 16.123 -4.930 1.00 0.00 C ATOM 999 CG GLU A 65 0.606 17.180 -4.503 1.00 0.00 C ATOM 1000 CD GLU A 65 0.827 18.511 -5.188 1.00 0.00 C ATOM 1001 OE1 GLU A 65 0.686 18.582 -6.427 1.00 0.00 O ATOM 1002 OE2 GLU A 65 1.138 19.497 -4.487 1.00 0.00 O ATOM 0 H GLU A 65 2.569 15.749 -2.611 1.00 0.00 H new ATOM 0 HA GLU A 65 0.443 14.500 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.615 16.518 -4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.468 15.908 -5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.402 16.828 -4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.669 17.318 -3.424 1.00 0.00 H new ATOM 1009 N ALA A 66 1.915 12.517 -4.661 1.00 0.00 N ATOM 1010 CA ALA A 66 2.730 11.373 -5.041 1.00 0.00 C ATOM 1011 C ALA A 66 2.687 11.115 -6.538 1.00 0.00 C ATOM 1012 O ALA A 66 1.739 11.498 -7.225 1.00 0.00 O ATOM 1013 CB ALA A 66 2.273 10.137 -4.285 1.00 0.00 C ATOM 0 H ALA A 66 0.972 12.279 -4.354 1.00 0.00 H new ATOM 0 HA ALA A 66 3.763 11.602 -4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.888 9.285 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.373 10.308 -3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.230 9.929 -4.524 1.00 0.00 H new ATOM 1019 N THR A 67 3.732 10.474 -7.035 1.00 0.00 N ATOM 1020 CA THR A 67 3.795 10.056 -8.418 1.00 0.00 C ATOM 1021 C THR A 67 3.778 8.532 -8.483 1.00 0.00 C ATOM 1022 O THR A 67 4.709 7.877 -8.027 1.00 0.00 O ATOM 1023 CB THR A 67 5.068 10.595 -9.105 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.153 12.015 -8.920 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.062 10.278 -10.595 1.00 0.00 C ATOM 0 H THR A 67 4.558 10.231 -6.488 1.00 0.00 H new ATOM 0 HA THR A 67 2.931 10.461 -8.944 1.00 0.00 H new ATOM 0 HB THR A 67 5.932 10.109 -8.651 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.963 12.354 -9.356 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.970 10.669 -11.054 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.020 9.198 -10.737 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.192 10.740 -11.062 1.00 0.00 H new ATOM 1033 N VAL A 68 2.704 7.970 -9.016 1.00 0.00 N ATOM 1034 CA VAL A 68 2.560 6.523 -9.081 1.00 0.00 C ATOM 1035 C VAL A 68 3.053 6.002 -10.425 1.00 0.00 C ATOM 1036 O VAL A 68 2.541 6.398 -11.475 1.00 0.00 O ATOM 1037 CB VAL A 68 1.097 6.093 -8.866 1.00 0.00 C ATOM 1038 CG1 VAL A 68 0.972 4.579 -8.866 1.00 0.00 C ATOM 1039 CG2 VAL A 68 0.554 6.675 -7.570 1.00 0.00 C ATOM 0 H VAL A 68 1.921 8.492 -9.409 1.00 0.00 H new ATOM 0 HA VAL A 68 3.165 6.096 -8.281 1.00 0.00 H new ATOM 0 HB VAL A 68 0.504 6.482 -9.694 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.070 4.300 -8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.316 4.186 -9.823 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.581 4.164 -8.063 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.481 6.360 -7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.154 6.319 -6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.600 7.763 -7.613 1.00 0.00 H new ATOM 1049 N GLY A 69 4.030 5.105 -10.395 1.00 0.00 N ATOM 1050 CA GLY A 69 4.640 4.651 -11.627 1.00 0.00 C ATOM 1051 C GLY A 69 4.587 3.145 -11.796 1.00 0.00 C ATOM 1052 O GLY A 69 3.721 2.623 -12.499 1.00 0.00 O ATOM 0 H GLY A 69 4.408 4.687 -9.545 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.137 5.123 -12.471 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.680 4.977 -11.653 1.00 0.00 H new ATOM 1056 N GLU A 70 5.507 2.446 -11.143 1.00 0.00 N ATOM 1057 CA GLU A 70 5.641 1.005 -11.317 1.00 0.00 C ATOM 1058 C GLU A 70 4.771 0.218 -10.331 1.00 0.00 C ATOM 1059 O GLU A 70 4.784 0.466 -9.127 1.00 0.00 O ATOM 1060 CB GLU A 70 7.116 0.567 -11.210 1.00 0.00 C ATOM 1061 CG GLU A 70 7.933 1.247 -10.108 1.00 0.00 C ATOM 1062 CD GLU A 70 8.405 2.635 -10.475 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.234 2.774 -11.399 1.00 0.00 O ATOM 1064 OE2 GLU A 70 7.948 3.591 -9.824 1.00 0.00 O ATOM 0 H GLU A 70 6.173 2.855 -10.487 1.00 0.00 H new ATOM 0 HA GLU A 70 5.283 0.775 -12.321 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.145 -0.510 -11.046 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.602 0.757 -12.167 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.329 1.305 -9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.799 0.628 -9.874 1.00 0.00 H new ATOM 1071 N TYR A 71 3.998 -0.718 -10.867 1.00 0.00 N ATOM 1072 CA TYR A 71 3.158 -1.608 -10.071 1.00 0.00 C ATOM 1073 C TYR A 71 3.978 -2.770 -9.506 1.00 0.00 C ATOM 1074 O TYR A 71 4.803 -3.353 -10.210 1.00 0.00 O ATOM 1075 CB TYR A 71 2.010 -2.121 -10.956 1.00 0.00 C ATOM 1076 CG TYR A 71 1.381 -3.410 -10.488 1.00 0.00 C ATOM 1077 CD1 TYR A 71 0.555 -3.448 -9.374 1.00 0.00 C ATOM 1078 CD2 TYR A 71 1.613 -4.597 -11.175 1.00 0.00 C ATOM 1079 CE1 TYR A 71 -0.012 -4.632 -8.952 1.00 0.00 C ATOM 1080 CE2 TYR A 71 1.046 -5.782 -10.761 1.00 0.00 C ATOM 1081 CZ TYR A 71 0.236 -5.797 -9.651 1.00 0.00 C ATOM 1082 OH TYR A 71 -0.318 -6.986 -9.235 1.00 0.00 O ATOM 0 H TYR A 71 3.935 -0.883 -11.872 1.00 0.00 H new ATOM 0 HA TYR A 71 2.746 -1.062 -9.222 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.238 -1.353 -11.007 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.386 -2.263 -11.969 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.353 -2.537 -8.830 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.249 -4.589 -12.048 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.647 -4.648 -8.079 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.237 -6.695 -11.306 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.042 -7.705 -9.841 1.00 0.00 H new ATOM 1092 N VAL A 72 3.764 -3.095 -8.231 1.00 0.00 N ATOM 1093 CA VAL A 72 4.527 -4.160 -7.588 1.00 0.00 C ATOM 1094 C VAL A 72 3.741 -5.470 -7.497 1.00 0.00 C ATOM 1095 O VAL A 72 4.042 -6.425 -8.213 1.00 0.00 O ATOM 1096 CB VAL A 72 4.964 -3.746 -6.169 1.00 0.00 C ATOM 1097 CG1 VAL A 72 5.776 -4.853 -5.509 1.00 0.00 C ATOM 1098 CG2 VAL A 72 5.752 -2.445 -6.212 1.00 0.00 C ATOM 0 H VAL A 72 3.076 -2.641 -7.630 1.00 0.00 H new ATOM 0 HA VAL A 72 5.403 -4.326 -8.215 1.00 0.00 H new ATOM 0 HB VAL A 72 4.069 -3.582 -5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.074 -4.539 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.171 -5.757 -5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.666 -5.057 -6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.052 -2.168 -5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.639 -2.577 -6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.129 -1.656 -6.635 1.00 0.00 H new ATOM 1108 N ALA A 73 2.719 -5.523 -6.641 1.00 0.00 N ATOM 1109 CA ALA A 73 1.967 -6.763 -6.469 1.00 0.00 C ATOM 1110 C ALA A 73 0.541 -6.506 -6.009 1.00 0.00 C ATOM 1111 O ALA A 73 0.225 -5.427 -5.518 1.00 0.00 O ATOM 1112 CB ALA A 73 2.676 -7.675 -5.475 1.00 0.00 C ATOM 0 H ALA A 73 2.400 -4.741 -6.069 1.00 0.00 H new ATOM 0 HA ALA A 73 1.918 -7.251 -7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.106 -8.596 -5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.673 -7.911 -5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.757 -7.171 -4.512 1.00 0.00 H new ATOM 1118 N SER A 74 -0.310 -7.506 -6.177 1.00 0.00 N ATOM 1119 CA SER A 74 -1.685 -7.432 -5.716 1.00 0.00 C ATOM 1120 C SER A 74 -2.031 -8.677 -4.911 1.00 0.00 C ATOM 1121 O SER A 74 -1.538 -9.766 -5.200 1.00 0.00 O ATOM 1122 CB SER A 74 -2.640 -7.292 -6.902 1.00 0.00 C ATOM 1123 OG SER A 74 -2.398 -6.094 -7.615 1.00 0.00 O ATOM 0 H SER A 74 -0.068 -8.385 -6.634 1.00 0.00 H new ATOM 0 HA SER A 74 -1.792 -6.554 -5.079 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.523 -8.146 -7.570 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.670 -7.305 -6.546 1.00 0.00 H new ATOM 0 HG SER A 74 -1.626 -6.215 -8.206 1.00 0.00 H new ATOM 1129 N HIS A 75 -2.874 -8.517 -3.903 1.00 0.00 N ATOM 1130 CA HIS A 75 -3.279 -9.641 -3.072 1.00 0.00 C ATOM 1131 C HIS A 75 -4.781 -9.609 -2.839 1.00 0.00 C ATOM 1132 O HIS A 75 -5.360 -8.541 -2.628 1.00 0.00 O ATOM 1133 CB HIS A 75 -2.554 -9.618 -1.725 1.00 0.00 C ATOM 1134 CG HIS A 75 -2.686 -10.901 -0.959 1.00 0.00 C ATOM 1135 ND1 HIS A 75 -3.467 -11.033 0.167 1.00 0.00 N ATOM 1136 CD2 HIS A 75 -2.126 -12.117 -1.167 1.00 0.00 C ATOM 1137 CE1 HIS A 75 -3.381 -12.271 0.615 1.00 0.00 C ATOM 1138 NE2 HIS A 75 -2.575 -12.950 -0.175 1.00 0.00 N ATOM 0 H HIS A 75 -3.290 -7.623 -3.641 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.012 -10.558 -3.597 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.497 -9.410 -1.892 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.948 -8.800 -1.122 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.450 -12.381 -1.967 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -3.887 -12.663 1.485 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -2.326 -13.933 -0.067 1.00 0.00 H new ATOM 1147 N GLN A 76 -5.408 -10.770 -2.879 1.00 0.00 N ATOM 1148 CA GLN A 76 -6.826 -10.871 -2.596 1.00 0.00 C ATOM 1149 C GLN A 76 -7.071 -11.545 -1.263 1.00 0.00 C ATOM 1150 O GLN A 76 -6.313 -12.417 -0.839 1.00 0.00 O ATOM 1151 CB GLN A 76 -7.569 -11.626 -3.697 1.00 0.00 C ATOM 1152 CG GLN A 76 -7.750 -10.807 -4.954 1.00 0.00 C ATOM 1153 CD GLN A 76 -8.707 -11.435 -5.954 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -9.363 -10.728 -6.720 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -8.802 -12.754 -5.958 1.00 0.00 N ATOM 0 H GLN A 76 -4.957 -11.656 -3.105 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.213 -9.853 -2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.021 -12.537 -3.939 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.547 -11.931 -3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.118 -9.817 -4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.779 -10.667 -5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.243 -13.308 -5.309 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.434 -13.218 -6.610 1.00 0.00 H new ATOM 1164 N ARG A 77 -8.121 -11.104 -0.606 1.00 0.00 N ATOM 1165 CA ARG A 77 -8.589 -11.708 0.631 1.00 0.00 C ATOM 1166 C ARG A 77 -10.047 -11.331 0.799 1.00 0.00 C ATOM 1167 O ARG A 77 -10.547 -10.506 0.043 1.00 0.00 O ATOM 1168 CB ARG A 77 -7.763 -11.242 1.839 1.00 0.00 C ATOM 1169 CG ARG A 77 -8.002 -9.798 2.262 1.00 0.00 C ATOM 1170 CD ARG A 77 -7.126 -9.440 3.452 1.00 0.00 C ATOM 1171 NE ARG A 77 -7.454 -8.140 4.035 1.00 0.00 N ATOM 1172 CZ ARG A 77 -7.270 -7.846 5.324 1.00 0.00 C ATOM 1173 NH1 ARG A 77 -6.808 -8.770 6.159 1.00 0.00 N ATOM 1174 NH2 ARG A 77 -7.553 -6.637 5.785 1.00 0.00 N ATOM 0 H ARG A 77 -8.682 -10.310 -0.914 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.474 -12.791 0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.983 -11.894 2.684 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.705 -11.367 1.607 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.786 -9.128 1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.052 -9.657 2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.229 -10.211 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.082 -9.438 3.139 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.843 -7.421 3.426 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.593 -9.706 5.816 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.668 -8.543 7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.915 -5.922 5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.409 -6.421 6.771 1.00 0.00 H new ATOM 1188 N GLU A 78 -10.740 -11.910 1.761 1.00 0.00 N ATOM 1189 CA GLU A 78 -12.147 -11.601 1.907 1.00 0.00 C ATOM 1190 C GLU A 78 -12.421 -10.888 3.226 1.00 0.00 C ATOM 1191 O GLU A 78 -11.733 -11.103 4.225 1.00 0.00 O ATOM 1192 CB GLU A 78 -13.006 -12.865 1.777 1.00 0.00 C ATOM 1193 CG GLU A 78 -12.969 -13.770 2.993 1.00 0.00 C ATOM 1194 CD GLU A 78 -13.824 -15.002 2.820 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -15.037 -14.927 3.096 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -13.290 -16.054 2.417 1.00 0.00 O ATOM 0 H GLU A 78 -10.365 -12.578 2.435 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.423 -10.924 1.099 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.039 -12.571 1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.671 -13.430 0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.939 -14.070 3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.310 -13.214 3.867 1.00 0.00 H new ATOM 1203 N VAL A 79 -13.419 -10.022 3.201 1.00 0.00 N ATOM 1204 CA VAL A 79 -13.881 -9.333 4.385 1.00 0.00 C ATOM 1205 C VAL A 79 -15.367 -9.620 4.582 1.00 0.00 C ATOM 1206 O VAL A 79 -16.225 -8.985 3.968 1.00 0.00 O ATOM 1207 CB VAL A 79 -13.617 -7.805 4.314 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -14.113 -7.206 3.005 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -14.242 -7.090 5.503 1.00 0.00 C ATOM 0 H VAL A 79 -13.931 -9.779 2.353 1.00 0.00 H new ATOM 0 HA VAL A 79 -13.318 -9.705 5.241 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.537 -7.661 4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.910 -6.135 2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.599 -7.681 2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.186 -7.372 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.043 -6.021 5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.319 -7.260 5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.812 -7.477 6.427 1.00 0.00 H new ATOM 1219 N SER A 80 -15.651 -10.622 5.406 1.00 0.00 N ATOM 1220 CA SER A 80 -17.022 -11.034 5.699 1.00 0.00 C ATOM 1221 C SER A 80 -17.859 -11.205 4.421 1.00 0.00 C ATOM 1222 O SER A 80 -18.809 -10.457 4.182 1.00 0.00 O ATOM 1223 CB SER A 80 -17.684 -10.022 6.637 1.00 0.00 C ATOM 1224 OG SER A 80 -16.891 -9.802 7.798 1.00 0.00 O ATOM 0 H SER A 80 -14.941 -11.172 5.890 1.00 0.00 H new ATOM 0 HA SER A 80 -16.977 -12.007 6.189 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.834 -9.079 6.112 1.00 0.00 H new ATOM 0 HB3 SER A 80 -18.670 -10.384 6.930 1.00 0.00 H new ATOM 0 HG SER A 80 -17.336 -9.150 8.379 1.00 0.00 H new ATOM 1230 N GLY A 81 -17.488 -12.182 3.598 1.00 0.00 N ATOM 1231 CA GLY A 81 -18.245 -12.478 2.390 1.00 0.00 C ATOM 1232 C GLY A 81 -17.957 -11.539 1.227 1.00 0.00 C ATOM 1233 O GLY A 81 -18.580 -11.650 0.169 1.00 0.00 O ATOM 0 H GLY A 81 -16.673 -12.777 3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -18.027 -13.500 2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -19.309 -12.435 2.622 1.00 0.00 H new ATOM 1237 N ARG A 82 -17.033 -10.610 1.409 1.00 0.00 N ATOM 1238 CA ARG A 82 -16.644 -9.701 0.334 1.00 0.00 C ATOM 1239 C ARG A 82 -15.189 -9.887 -0.030 1.00 0.00 C ATOM 1240 O ARG A 82 -14.372 -10.183 0.819 1.00 0.00 O ATOM 1241 CB ARG A 82 -16.878 -8.249 0.728 1.00 0.00 C ATOM 1242 CG ARG A 82 -18.330 -7.849 0.712 1.00 0.00 C ATOM 1243 CD ARG A 82 -18.479 -6.361 0.942 1.00 0.00 C ATOM 1244 NE ARG A 82 -18.229 -5.989 2.335 1.00 0.00 N ATOM 1245 CZ ARG A 82 -18.029 -4.741 2.754 1.00 0.00 C ATOM 1246 NH1 ARG A 82 -18.162 -3.720 1.911 1.00 0.00 N ATOM 1247 NH2 ARG A 82 -17.739 -4.518 4.029 1.00 0.00 N ATOM 0 H ARG A 82 -16.537 -10.463 2.288 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.265 -9.939 -0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.474 -8.082 1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.324 -7.602 0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.776 -8.120 -0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.872 -8.397 1.483 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.786 -5.824 0.294 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -19.485 -6.050 0.660 1.00 0.00 H new ATOM 0 HE ARG A 82 -18.206 -6.735 3.031 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.418 -3.891 0.939 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.008 -2.766 2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.671 -5.300 4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.584 -3.565 4.358 1.00 0.00 H new ATOM 1261 N ILE A 83 -14.870 -9.709 -1.291 1.00 0.00 N ATOM 1262 CA ILE A 83 -13.508 -9.936 -1.762 1.00 0.00 C ATOM 1263 C ILE A 83 -12.749 -8.622 -1.934 1.00 0.00 C ATOM 1264 O ILE A 83 -13.109 -7.791 -2.765 1.00 0.00 O ATOM 1265 CB ILE A 83 -13.484 -10.735 -3.093 1.00 0.00 C ATOM 1266 CG1 ILE A 83 -13.865 -12.209 -2.866 1.00 0.00 C ATOM 1267 CG2 ILE A 83 -12.111 -10.654 -3.750 1.00 0.00 C ATOM 1268 CD1 ILE A 83 -15.312 -12.436 -2.473 1.00 0.00 C ATOM 0 H ILE A 83 -15.526 -9.409 -2.012 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.009 -10.530 -0.996 1.00 0.00 H new ATOM 0 HB ILE A 83 -14.222 -10.284 -3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.659 -12.768 -3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -13.222 -12.621 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.119 -11.221 -4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.870 -9.612 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.361 -11.070 -3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -15.488 -13.503 -2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.523 -11.909 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -15.966 -12.059 -3.259 1.00 0.00 H new ATOM 1280 N ILE A 84 -11.707 -8.439 -1.129 1.00 0.00 N ATOM 1281 CA ILE A 84 -10.841 -7.275 -1.249 1.00 0.00 C ATOM 1282 C ILE A 84 -9.651 -7.579 -2.149 1.00 0.00 C ATOM 1283 O ILE A 84 -9.058 -8.656 -2.077 1.00 0.00 O ATOM 1284 CB ILE A 84 -10.295 -6.773 0.106 1.00 0.00 C ATOM 1285 CG1 ILE A 84 -10.851 -7.563 1.282 1.00 0.00 C ATOM 1286 CG2 ILE A 84 -10.617 -5.310 0.300 1.00 0.00 C ATOM 1287 CD1 ILE A 84 -10.739 -6.800 2.584 1.00 0.00 C ATOM 0 H ILE A 84 -11.443 -9.085 -0.385 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.468 -6.493 -1.677 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.215 -6.917 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -11.897 -7.806 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.315 -8.508 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.224 -4.975 1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -10.162 -4.728 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.698 -5.170 0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.148 -7.402 3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.691 -6.580 2.788 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.297 -5.867 2.508 1.00 0.00 H new ATOM 1299 N HIS A 85 -9.308 -6.616 -2.984 1.00 0.00 N ATOM 1300 CA HIS A 85 -8.190 -6.750 -3.903 1.00 0.00 C ATOM 1301 C HIS A 85 -7.222 -5.585 -3.710 1.00 0.00 C ATOM 1302 O HIS A 85 -7.469 -4.478 -4.191 1.00 0.00 O ATOM 1303 CB HIS A 85 -8.711 -6.781 -5.345 1.00 0.00 C ATOM 1304 CG HIS A 85 -7.725 -7.295 -6.355 1.00 0.00 C ATOM 1305 ND1 HIS A 85 -7.957 -8.405 -7.134 1.00 0.00 N ATOM 1306 CD2 HIS A 85 -6.518 -6.824 -6.735 1.00 0.00 C ATOM 1307 CE1 HIS A 85 -6.937 -8.592 -7.947 1.00 0.00 C ATOM 1308 NE2 HIS A 85 -6.046 -7.643 -7.732 1.00 0.00 N ATOM 0 H HIS A 85 -9.794 -5.721 -3.045 1.00 0.00 H new ATOM 0 HA HIS A 85 -7.660 -7.681 -3.701 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.606 -7.403 -5.381 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -9.012 -5.773 -5.631 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -8.790 -8.992 -7.089 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.014 -5.959 -6.329 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.846 -9.390 -8.669 1.00 0.00 H new ATOM 1317 N LEU A 86 -6.135 -5.829 -2.992 1.00 0.00 N ATOM 1318 CA LEU A 86 -5.153 -4.784 -2.713 1.00 0.00 C ATOM 1319 C LEU A 86 -4.107 -4.703 -3.818 1.00 0.00 C ATOM 1320 O LEU A 86 -3.593 -5.722 -4.265 1.00 0.00 O ATOM 1321 CB LEU A 86 -4.469 -5.013 -1.360 1.00 0.00 C ATOM 1322 CG LEU A 86 -5.287 -4.599 -0.132 1.00 0.00 C ATOM 1323 CD1 LEU A 86 -6.341 -5.642 0.200 1.00 0.00 C ATOM 1324 CD2 LEU A 86 -4.375 -4.348 1.058 1.00 0.00 C ATOM 0 H LEU A 86 -5.908 -6.739 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.691 -3.837 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.222 -6.071 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.527 -4.464 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.804 -3.669 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.906 -5.322 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.018 -5.758 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.856 -6.595 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.974 -4.055 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.823 -5.258 1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.673 -3.550 0.816 1.00 0.00 H new ATOM 1336 N HIS A 87 -3.821 -3.484 -4.261 1.00 0.00 N ATOM 1337 CA HIS A 87 -2.837 -3.243 -5.316 1.00 0.00 C ATOM 1338 C HIS A 87 -1.672 -2.428 -4.771 1.00 0.00 C ATOM 1339 O HIS A 87 -1.857 -1.278 -4.391 1.00 0.00 O ATOM 1340 CB HIS A 87 -3.461 -2.452 -6.471 1.00 0.00 C ATOM 1341 CG HIS A 87 -4.730 -3.026 -7.016 1.00 0.00 C ATOM 1342 ND1 HIS A 87 -5.959 -2.823 -6.424 1.00 0.00 N ATOM 1343 CD2 HIS A 87 -4.965 -3.767 -8.124 1.00 0.00 C ATOM 1344 CE1 HIS A 87 -6.892 -3.411 -7.143 1.00 0.00 C ATOM 1345 NE2 HIS A 87 -6.319 -3.991 -8.181 1.00 0.00 N ATOM 0 H HIS A 87 -4.261 -2.637 -3.902 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.492 -4.214 -5.673 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.656 -1.435 -6.131 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.734 -2.384 -7.280 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -6.120 -2.299 -5.564 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.227 -4.116 -8.831 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -7.949 -3.418 -6.921 1.00 0.00 H new ATOM 1354 N ALA A 88 -0.487 -3.011 -4.740 1.00 0.00 N ATOM 1355 CA ALA A 88 0.695 -2.289 -4.283 1.00 0.00 C ATOM 1356 C ALA A 88 1.378 -1.584 -5.439 1.00 0.00 C ATOM 1357 O ALA A 88 1.964 -2.223 -6.315 1.00 0.00 O ATOM 1358 CB ALA A 88 1.677 -3.221 -3.595 1.00 0.00 C ATOM 0 H ALA A 88 -0.314 -3.976 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 88 0.363 -1.543 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.547 -2.654 -3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.197 -3.683 -2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.992 -3.997 -4.293 1.00 0.00 H new ATOM 1364 N TRP A 89 1.299 -0.267 -5.440 1.00 0.00 N ATOM 1365 CA TRP A 89 1.967 0.536 -6.445 1.00 0.00 C ATOM 1366 C TRP A 89 3.185 1.209 -5.833 1.00 0.00 C ATOM 1367 O TRP A 89 3.146 1.669 -4.689 1.00 0.00 O ATOM 1368 CB TRP A 89 1.020 1.590 -7.021 1.00 0.00 C ATOM 1369 CG TRP A 89 -0.089 1.024 -7.859 1.00 0.00 C ATOM 1370 CD1 TRP A 89 -1.275 0.512 -7.418 1.00 0.00 C ATOM 1371 CD2 TRP A 89 -0.118 0.923 -9.289 1.00 0.00 C ATOM 1372 NE1 TRP A 89 -2.037 0.094 -8.485 1.00 0.00 N ATOM 1373 CE2 TRP A 89 -1.348 0.336 -9.643 1.00 0.00 C ATOM 1374 CE3 TRP A 89 0.778 1.274 -10.303 1.00 0.00 C ATOM 1375 CZ2 TRP A 89 -1.700 0.090 -10.970 1.00 0.00 C ATOM 1376 CZ3 TRP A 89 0.426 1.031 -11.618 1.00 0.00 C ATOM 1377 CH2 TRP A 89 -0.804 0.445 -11.941 1.00 0.00 C ATOM 0 H TRP A 89 0.775 0.272 -4.751 1.00 0.00 H new ATOM 0 HA TRP A 89 2.282 -0.117 -7.258 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.586 2.160 -6.200 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.597 2.290 -7.625 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.572 0.445 -6.382 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -2.964 -0.327 -8.423 1.00 0.00 H new ATOM 0 HE3 TRP A 89 1.729 1.727 -10.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -2.647 -0.365 -11.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 1.111 1.298 -12.409 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -1.050 0.270 -12.978 1.00 0.00 H new ATOM 1388 N HIS A 90 4.263 1.256 -6.588 1.00 0.00 N ATOM 1389 CA HIS A 90 5.502 1.846 -6.122 1.00 0.00 C ATOM 1390 C HIS A 90 5.486 3.348 -6.353 1.00 0.00 C ATOM 1391 O HIS A 90 5.325 3.810 -7.482 1.00 0.00 O ATOM 1392 CB HIS A 90 6.685 1.205 -6.856 1.00 0.00 C ATOM 1393 CG HIS A 90 8.032 1.751 -6.482 1.00 0.00 C ATOM 1394 ND1 HIS A 90 8.715 2.666 -7.255 1.00 0.00 N ATOM 1395 CD2 HIS A 90 8.845 1.467 -5.439 1.00 0.00 C ATOM 1396 CE1 HIS A 90 9.889 2.913 -6.702 1.00 0.00 C ATOM 1397 NE2 HIS A 90 9.994 2.197 -5.601 1.00 0.00 N ATOM 0 H HIS A 90 4.306 0.888 -7.538 1.00 0.00 H new ATOM 0 HA HIS A 90 5.607 1.663 -5.053 1.00 0.00 H new ATOM 0 HB2 HIS A 90 6.677 0.133 -6.661 1.00 0.00 H new ATOM 0 HB3 HIS A 90 6.542 1.335 -7.929 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.628 0.789 -4.627 1.00 0.00 H new ATOM 0 HE1 HIS A 90 10.638 3.589 -7.088 1.00 0.00 H new ATOM 0 HE2 HIS A 90 10.798 2.187 -4.973 1.00 0.00 H new ATOM 1406 N VAL A 91 5.628 4.098 -5.274 1.00 0.00 N ATOM 1407 CA VAL A 91 5.758 5.540 -5.352 1.00 0.00 C ATOM 1408 C VAL A 91 7.235 5.906 -5.314 1.00 0.00 C ATOM 1409 O VAL A 91 7.861 5.899 -4.252 1.00 0.00 O ATOM 1410 CB VAL A 91 5.008 6.242 -4.199 1.00 0.00 C ATOM 1411 CG1 VAL A 91 5.151 7.753 -4.295 1.00 0.00 C ATOM 1412 CG2 VAL A 91 3.541 5.839 -4.200 1.00 0.00 C ATOM 0 H VAL A 91 5.656 3.726 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 91 5.311 5.879 -6.286 1.00 0.00 H new ATOM 0 HB VAL A 91 5.455 5.923 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.613 8.222 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.206 8.023 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.737 8.098 -5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.025 6.342 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.085 6.127 -5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.460 4.760 -4.071 1.00 0.00 H new ATOM 1422 N PRO A 92 7.821 6.180 -6.485 1.00 0.00 N ATOM 1423 CA PRO A 92 9.247 6.440 -6.615 1.00 0.00 C ATOM 1424 C PRO A 92 9.597 7.910 -6.366 1.00 0.00 C ATOM 1425 O PRO A 92 10.770 8.260 -6.206 1.00 0.00 O ATOM 1426 CB PRO A 92 9.491 6.025 -8.066 1.00 0.00 C ATOM 1427 CG PRO A 92 8.263 6.474 -8.772 1.00 0.00 C ATOM 1428 CD PRO A 92 7.138 6.244 -7.797 1.00 0.00 C ATOM 0 HA PRO A 92 9.863 5.909 -5.889 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.383 6.500 -8.474 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.634 4.948 -8.156 1.00 0.00 H new ATOM 0 HG2 PRO A 92 8.332 7.525 -9.052 1.00 0.00 H new ATOM 0 HG3 PRO A 92 8.109 5.909 -9.691 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.408 7.053 -7.830 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.601 5.321 -8.015 1.00 0.00 H new ATOM 1436 N ASP A 93 8.570 8.758 -6.312 1.00 0.00 N ATOM 1437 CA ASP A 93 8.758 10.185 -6.060 1.00 0.00 C ATOM 1438 C ASP A 93 7.468 10.807 -5.530 1.00 0.00 C ATOM 1439 O ASP A 93 6.372 10.385 -5.900 1.00 0.00 O ATOM 1440 CB ASP A 93 9.197 10.900 -7.341 1.00 0.00 C ATOM 1441 CG ASP A 93 9.775 12.275 -7.064 1.00 0.00 C ATOM 1442 OD1 ASP A 93 10.961 12.350 -6.663 1.00 0.00 O ATOM 1443 OD2 ASP A 93 9.058 13.276 -7.253 1.00 0.00 O ATOM 0 H ASP A 93 7.597 8.480 -6.440 1.00 0.00 H new ATOM 0 HA ASP A 93 9.538 10.301 -5.308 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.941 10.293 -7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.343 10.996 -8.012 1.00 0.00 H new ATOM 1448 N PHE A 94 7.601 11.796 -4.650 1.00 0.00 N ATOM 1449 CA PHE A 94 6.442 12.477 -4.078 1.00 0.00 C ATOM 1450 C PHE A 94 6.780 13.935 -3.765 1.00 0.00 C ATOM 1451 O PHE A 94 7.915 14.253 -3.406 1.00 0.00 O ATOM 1452 CB PHE A 94 5.962 11.760 -2.805 1.00 0.00 C ATOM 1453 CG PHE A 94 6.977 11.735 -1.692 1.00 0.00 C ATOM 1454 CD1 PHE A 94 7.995 10.791 -1.675 1.00 0.00 C ATOM 1455 CD2 PHE A 94 6.916 12.663 -0.663 1.00 0.00 C ATOM 1456 CE1 PHE A 94 8.928 10.776 -0.656 1.00 0.00 C ATOM 1457 CE2 PHE A 94 7.848 12.653 0.356 1.00 0.00 C ATOM 1458 CZ PHE A 94 8.856 11.708 0.360 1.00 0.00 C ATOM 0 H PHE A 94 8.500 12.144 -4.317 1.00 0.00 H new ATOM 0 HA PHE A 94 5.637 12.453 -4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.057 12.249 -2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 94 5.692 10.735 -3.059 1.00 0.00 H new ATOM 0 HD1 PHE A 94 8.058 10.060 -2.467 1.00 0.00 H new ATOM 0 HD2 PHE A 94 6.129 13.403 -0.659 1.00 0.00 H new ATOM 0 HE1 PHE A 94 9.714 10.035 -0.654 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.789 13.383 1.149 1.00 0.00 H new ATOM 0 HZ PHE A 94 9.586 11.698 1.156 1.00 0.00 H new ATOM 1468 N HIS A 95 5.797 14.812 -3.916 1.00 0.00 N ATOM 1469 CA HIS A 95 5.979 16.231 -3.637 1.00 0.00 C ATOM 1470 C HIS A 95 5.253 16.634 -2.354 1.00 0.00 C ATOM 1471 O HIS A 95 4.038 16.480 -2.251 1.00 0.00 O ATOM 1472 CB HIS A 95 5.458 17.053 -4.826 1.00 0.00 C ATOM 1473 CG HIS A 95 5.382 18.531 -4.577 1.00 0.00 C ATOM 1474 ND1 HIS A 95 6.429 19.391 -4.817 1.00 0.00 N ATOM 1475 CD2 HIS A 95 4.368 19.297 -4.110 1.00 0.00 C ATOM 1476 CE1 HIS A 95 6.064 20.622 -4.509 1.00 0.00 C ATOM 1477 NE2 HIS A 95 4.818 20.592 -4.077 1.00 0.00 N ATOM 0 H HIS A 95 4.859 14.564 -4.232 1.00 0.00 H new ATOM 0 HA HIS A 95 7.041 16.429 -3.495 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.105 16.875 -5.685 1.00 0.00 H new ATOM 0 HB3 HIS A 95 4.465 16.691 -5.094 1.00 0.00 H new ATOM 0 HD2 HIS A 95 3.387 18.952 -3.818 1.00 0.00 H new ATOM 0 HE1 HIS A 95 6.681 21.504 -4.596 1.00 0.00 H new ATOM 0 HE2 HIS A 95 4.277 21.400 -3.769 1.00 0.00 H new ATOM 1486 N GLY A 96 5.995 17.150 -1.385 1.00 0.00 N ATOM 1487 CA GLY A 96 5.386 17.631 -0.157 1.00 0.00 C ATOM 1488 C GLY A 96 6.018 17.023 1.074 1.00 0.00 C ATOM 1489 O GLY A 96 7.093 16.429 0.990 1.00 0.00 O ATOM 0 H GLY A 96 7.010 17.245 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.476 18.716 -0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.321 17.400 -0.168 1.00 0.00 H new ATOM 1493 N THR A 97 5.351 17.160 2.214 1.00 0.00 N ATOM 1494 CA THR A 97 5.836 16.592 3.453 1.00 0.00 C ATOM 1495 C THR A 97 4.790 15.632 3.994 1.00 0.00 C ATOM 1496 O THR A 97 3.619 15.991 4.129 1.00 0.00 O ATOM 1497 CB THR A 97 6.148 17.684 4.500 1.00 0.00 C ATOM 1498 OG1 THR A 97 7.134 18.587 3.977 1.00 0.00 O ATOM 1499 CG2 THR A 97 6.657 17.075 5.800 1.00 0.00 C ATOM 0 H THR A 97 4.468 17.664 2.299 1.00 0.00 H new ATOM 0 HA THR A 97 6.767 16.062 3.252 1.00 0.00 H new ATOM 0 HB THR A 97 5.225 18.223 4.713 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.329 19.280 4.642 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.867 17.869 6.516 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.899 16.408 6.211 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.569 16.511 5.605 1.00 0.00 H new ATOM 1507 N LEU A 98 5.215 14.418 4.289 1.00 0.00 N ATOM 1508 CA LEU A 98 4.285 13.370 4.669 1.00 0.00 C ATOM 1509 C LEU A 98 3.884 13.499 6.129 1.00 0.00 C ATOM 1510 O LEU A 98 4.724 13.552 7.028 1.00 0.00 O ATOM 1511 CB LEU A 98 4.857 11.987 4.345 1.00 0.00 C ATOM 1512 CG LEU A 98 6.349 11.805 4.606 1.00 0.00 C ATOM 1513 CD1 LEU A 98 6.593 11.208 5.985 1.00 0.00 C ATOM 1514 CD2 LEU A 98 6.957 10.941 3.513 1.00 0.00 C ATOM 0 H LEU A 98 6.194 14.133 4.273 1.00 0.00 H new ATOM 0 HA LEU A 98 3.376 13.487 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.313 11.244 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.663 11.772 3.294 1.00 0.00 H new ATOM 0 HG LEU A 98 6.834 12.781 4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.665 11.089 6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.184 11.872 6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.106 10.235 6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.023 10.812 3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.469 9.966 3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.815 11.424 2.546 1.00 0.00 H new ATOM 1526 N GLN A 99 2.583 13.569 6.341 1.00 0.00 N ATOM 1527 CA GLN A 99 2.012 13.772 7.654 1.00 0.00 C ATOM 1528 C GLN A 99 0.967 12.688 7.901 1.00 0.00 C ATOM 1529 O GLN A 99 0.436 12.113 6.955 1.00 0.00 O ATOM 1530 CB GLN A 99 1.386 15.171 7.729 1.00 0.00 C ATOM 1531 CG GLN A 99 0.107 15.314 6.919 1.00 0.00 C ATOM 1532 CD GLN A 99 -0.465 16.716 6.960 1.00 0.00 C ATOM 1533 OE1 GLN A 99 -0.135 17.560 6.127 1.00 0.00 O ATOM 1534 NE2 GLN A 99 -1.328 16.978 7.929 1.00 0.00 N ATOM 0 H GLN A 99 1.889 13.485 5.598 1.00 0.00 H new ATOM 0 HA GLN A 99 2.782 13.705 8.423 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.174 15.409 8.771 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.112 15.903 7.377 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.307 15.039 5.883 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.637 14.613 7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.577 16.252 8.601 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.744 17.906 8.004 1.00 0.00 H new ATOM 1543 N ALA A 100 0.686 12.384 9.153 1.00 0.00 N ATOM 1544 CA ALA A 100 -0.244 11.309 9.458 1.00 0.00 C ATOM 1545 C ALA A 100 -1.588 11.836 9.951 1.00 0.00 C ATOM 1546 O ALA A 100 -1.698 12.345 11.067 1.00 0.00 O ATOM 1547 CB ALA A 100 0.372 10.362 10.468 1.00 0.00 C ATOM 0 H ALA A 100 1.080 12.857 9.966 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.440 10.764 8.534 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.331 9.560 10.691 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.288 9.938 10.057 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.603 10.907 11.384 1.00 0.00 H new ATOM 1553 N HIS A 101 -2.605 11.736 9.098 1.00 0.00 N ATOM 1554 CA HIS A 101 -3.969 12.084 9.481 1.00 0.00 C ATOM 1555 C HIS A 101 -4.617 10.941 10.258 1.00 0.00 C ATOM 1556 O HIS A 101 -4.823 11.031 11.467 1.00 0.00 O ATOM 1557 CB HIS A 101 -4.799 12.404 8.227 1.00 0.00 C ATOM 1558 CG HIS A 101 -6.263 12.611 8.493 1.00 0.00 C ATOM 1559 ND1 HIS A 101 -7.244 11.842 7.909 1.00 0.00 N ATOM 1560 CD2 HIS A 101 -6.910 13.494 9.290 1.00 0.00 C ATOM 1561 CE1 HIS A 101 -8.425 12.238 8.334 1.00 0.00 C ATOM 1562 NE2 HIS A 101 -8.255 13.240 9.176 1.00 0.00 N ATOM 0 H HIS A 101 -2.508 11.416 8.134 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.936 12.964 10.124 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -4.396 13.302 7.758 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.683 11.590 7.511 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -7.081 11.082 7.248 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -6.453 14.257 9.902 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -9.375 11.814 8.042 1.00 0.00 H new ATOM 1571 N GLU A 102 -4.939 9.871 9.549 1.00 0.00 N ATOM 1572 CA GLU A 102 -5.594 8.716 10.141 1.00 0.00 C ATOM 1573 C GLU A 102 -4.611 7.830 10.898 1.00 0.00 C ATOM 1574 O GLU A 102 -5.004 7.033 11.747 1.00 0.00 O ATOM 1575 CB GLU A 102 -6.292 7.916 9.044 1.00 0.00 C ATOM 1576 CG GLU A 102 -7.671 8.448 8.694 1.00 0.00 C ATOM 1577 CD GLU A 102 -8.622 8.393 9.870 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -9.225 7.325 10.097 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -8.762 9.412 10.577 1.00 0.00 O ATOM 0 H GLU A 102 -4.754 9.779 8.550 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.327 9.073 10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.670 7.922 8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.381 6.878 9.363 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.584 9.478 8.348 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.083 7.868 7.868 1.00 0.00 H new ATOM 1586 N HIS A 103 -3.334 7.987 10.598 1.00 0.00 N ATOM 1587 CA HIS A 103 -2.303 7.136 11.178 1.00 0.00 C ATOM 1588 C HIS A 103 -1.544 7.932 12.238 1.00 0.00 C ATOM 1589 O HIS A 103 -1.746 9.139 12.354 1.00 0.00 O ATOM 1590 CB HIS A 103 -1.356 6.634 10.075 1.00 0.00 C ATOM 1591 CG HIS A 103 -2.064 6.244 8.804 1.00 0.00 C ATOM 1592 ND1 HIS A 103 -2.466 4.958 8.506 1.00 0.00 N ATOM 1593 CD2 HIS A 103 -2.454 7.003 7.749 1.00 0.00 C ATOM 1594 CE1 HIS A 103 -3.071 4.948 7.332 1.00 0.00 C ATOM 1595 NE2 HIS A 103 -3.080 6.177 6.851 1.00 0.00 N ATOM 0 H HIS A 103 -2.983 8.697 9.955 1.00 0.00 H new ATOM 0 HA HIS A 103 -2.757 6.264 11.650 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -0.627 7.413 9.851 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.799 5.775 10.449 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -2.319 4.142 9.100 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -2.299 8.066 7.637 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.489 4.079 6.846 1.00 0.00 H new ATOM 1604 N GLN A 104 -0.686 7.284 13.015 1.00 0.00 N ATOM 1605 CA GLN A 104 0.027 7.994 14.075 1.00 0.00 C ATOM 1606 C GLN A 104 1.333 8.603 13.569 1.00 0.00 C ATOM 1607 O GLN A 104 1.427 9.814 13.382 1.00 0.00 O ATOM 1608 CB GLN A 104 0.319 7.083 15.268 1.00 0.00 C ATOM 1609 CG GLN A 104 0.835 7.853 16.473 1.00 0.00 C ATOM 1610 CD GLN A 104 1.309 6.962 17.600 1.00 0.00 C ATOM 1611 OE1 GLN A 104 1.813 5.864 17.373 1.00 0.00 O ATOM 1612 NE2 GLN A 104 1.134 7.431 18.823 1.00 0.00 N ATOM 0 H GLN A 104 -0.468 6.291 12.937 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.631 8.799 14.401 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -0.590 6.548 15.544 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.055 6.333 14.977 1.00 0.00 H new ATOM 0 HG2 GLN A 104 1.657 8.496 16.159 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.044 8.505 16.844 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.711 8.349 18.962 1.00 0.00 H new ATOM 0 HE22 GLN A 104 1.422 6.875 19.628 1.00 0.00 H new ATOM 1621 N ALA A 105 2.335 7.760 13.350 1.00 0.00 N ATOM 1622 CA ALA A 105 3.659 8.230 12.963 1.00 0.00 C ATOM 1623 C ALA A 105 4.144 7.528 11.701 1.00 0.00 C ATOM 1624 O ALA A 105 3.557 6.532 11.270 1.00 0.00 O ATOM 1625 CB ALA A 105 4.643 8.010 14.102 1.00 0.00 C ATOM 0 H ALA A 105 2.255 6.747 13.434 1.00 0.00 H new ATOM 0 HA ALA A 105 3.594 9.297 12.749 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.630 8.364 13.804 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.310 8.561 14.982 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.695 6.947 14.338 1.00 0.00 H new ATOM 1631 N LEU A 106 5.223 8.046 11.123 1.00 0.00 N ATOM 1632 CA LEU A 106 5.779 7.505 9.892 1.00 0.00 C ATOM 1633 C LEU A 106 7.204 7.014 10.126 1.00 0.00 C ATOM 1634 O LEU A 106 7.958 7.619 10.889 1.00 0.00 O ATOM 1635 CB LEU A 106 5.802 8.563 8.776 1.00 0.00 C ATOM 1636 CG LEU A 106 4.445 9.042 8.239 1.00 0.00 C ATOM 1637 CD1 LEU A 106 3.526 7.869 7.954 1.00 0.00 C ATOM 1638 CD2 LEU A 106 3.790 10.031 9.195 1.00 0.00 C ATOM 0 H LEU A 106 5.733 8.848 11.494 1.00 0.00 H new ATOM 0 HA LEU A 106 5.142 6.676 9.584 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.346 9.432 9.145 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.374 8.161 7.940 1.00 0.00 H new ATOM 0 HG LEU A 106 4.626 9.562 7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.573 8.237 7.575 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.986 7.219 7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.358 7.307 8.873 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.831 10.351 8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.631 9.552 10.161 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.438 10.898 9.322 1.00 0.00 H new ATOM 1650 N VAL A 107 7.570 5.915 9.487 1.00 0.00 N ATOM 1651 CA VAL A 107 8.943 5.430 9.549 1.00 0.00 C ATOM 1652 C VAL A 107 9.442 5.037 8.160 1.00 0.00 C ATOM 1653 O VAL A 107 8.684 4.520 7.339 1.00 0.00 O ATOM 1654 CB VAL A 107 9.088 4.233 10.523 1.00 0.00 C ATOM 1655 CG1 VAL A 107 8.392 2.991 9.987 1.00 0.00 C ATOM 1656 CG2 VAL A 107 10.555 3.945 10.818 1.00 0.00 C ATOM 0 H VAL A 107 6.942 5.343 8.922 1.00 0.00 H new ATOM 0 HA VAL A 107 9.555 6.248 9.929 1.00 0.00 H new ATOM 0 HB VAL A 107 8.599 4.510 11.457 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.514 2.171 10.695 1.00 0.00 H new ATOM 0 HG12 VAL A 107 7.331 3.199 9.851 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.832 2.712 9.030 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.629 3.101 11.504 1.00 0.00 H new ATOM 0 HG22 VAL A 107 11.073 3.705 9.889 1.00 0.00 H new ATOM 0 HG23 VAL A 107 11.014 4.823 11.272 1.00 0.00 H new ATOM 1666 N TRP A 108 10.712 5.316 7.894 1.00 0.00 N ATOM 1667 CA TRP A 108 11.342 4.904 6.649 1.00 0.00 C ATOM 1668 C TRP A 108 12.249 3.709 6.910 1.00 0.00 C ATOM 1669 O TRP A 108 13.284 3.837 7.567 1.00 0.00 O ATOM 1670 CB TRP A 108 12.156 6.052 6.047 1.00 0.00 C ATOM 1671 CG TRP A 108 11.343 7.276 5.741 1.00 0.00 C ATOM 1672 CD1 TRP A 108 10.612 7.520 4.612 1.00 0.00 C ATOM 1673 CD2 TRP A 108 11.191 8.430 6.575 1.00 0.00 C ATOM 1674 NE1 TRP A 108 10.014 8.754 4.697 1.00 0.00 N ATOM 1675 CE2 TRP A 108 10.353 9.332 5.893 1.00 0.00 C ATOM 1676 CE3 TRP A 108 11.681 8.785 7.836 1.00 0.00 C ATOM 1677 CZ2 TRP A 108 9.997 10.568 6.431 1.00 0.00 C ATOM 1678 CZ3 TRP A 108 11.326 10.010 8.368 1.00 0.00 C ATOM 1679 CH2 TRP A 108 10.491 10.889 7.667 1.00 0.00 C ATOM 0 H TRP A 108 11.327 5.828 8.527 1.00 0.00 H new ATOM 0 HA TRP A 108 10.564 4.626 5.939 1.00 0.00 H new ATOM 0 HB2 TRP A 108 12.954 6.321 6.739 1.00 0.00 H new ATOM 0 HB3 TRP A 108 12.633 5.705 5.130 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.518 6.842 3.776 1.00 0.00 H new ATOM 0 HE1 TRP A 108 9.415 9.172 3.985 1.00 0.00 H new ATOM 0 HE3 TRP A 108 12.325 8.114 8.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 9.354 11.248 5.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 11.699 10.294 9.341 1.00 0.00 H new ATOM 0 HH2 TRP A 108 10.232 11.839 8.110 1.00 0.00 H new ATOM 1690 N CYS A 109 11.858 2.554 6.406 1.00 0.00 N ATOM 1691 CA CYS A 109 12.595 1.327 6.657 1.00 0.00 C ATOM 1692 C CYS A 109 12.779 0.532 5.372 1.00 0.00 C ATOM 1693 O CYS A 109 11.983 0.649 4.447 1.00 0.00 O ATOM 1694 CB CYS A 109 11.861 0.483 7.704 1.00 0.00 C ATOM 1695 SG CYS A 109 10.124 0.170 7.309 1.00 0.00 S ATOM 0 H CYS A 109 11.032 2.438 5.819 1.00 0.00 H new ATOM 0 HA CYS A 109 13.582 1.588 7.038 1.00 0.00 H new ATOM 0 HB2 CYS A 109 12.376 -0.471 7.813 1.00 0.00 H new ATOM 0 HB3 CYS A 109 11.919 0.988 8.668 1.00 0.00 H new ATOM 0 HG CYS A 109 9.646 -0.719 8.129 1.00 0.00 H new ATOM 1701 N SER A 110 13.819 -0.280 5.324 1.00 0.00 N ATOM 1702 CA SER A 110 14.108 -1.090 4.150 1.00 0.00 C ATOM 1703 C SER A 110 13.089 -2.228 4.028 1.00 0.00 C ATOM 1704 O SER A 110 12.457 -2.606 5.015 1.00 0.00 O ATOM 1705 CB SER A 110 15.535 -1.635 4.243 1.00 0.00 C ATOM 1706 OG SER A 110 16.474 -0.584 4.412 1.00 0.00 O ATOM 0 H SER A 110 14.483 -0.398 6.089 1.00 0.00 H new ATOM 0 HA SER A 110 14.030 -0.474 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.608 -2.330 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 110 15.772 -2.197 3.340 1.00 0.00 H new ATOM 0 HG SER A 110 17.378 -0.959 4.470 1.00 0.00 H new ATOM 1712 N PRO A 111 12.902 -2.764 2.807 1.00 0.00 N ATOM 1713 CA PRO A 111 11.907 -3.804 2.529 1.00 0.00 C ATOM 1714 C PRO A 111 11.924 -4.953 3.529 1.00 0.00 C ATOM 1715 O PRO A 111 10.907 -5.262 4.146 1.00 0.00 O ATOM 1716 CB PRO A 111 12.297 -4.320 1.150 1.00 0.00 C ATOM 1717 CG PRO A 111 13.052 -3.216 0.503 1.00 0.00 C ATOM 1718 CD PRO A 111 13.647 -2.375 1.598 1.00 0.00 C ATOM 0 HA PRO A 111 10.899 -3.395 2.592 1.00 0.00 H new ATOM 0 HB2 PRO A 111 12.909 -5.219 1.227 1.00 0.00 H new ATOM 0 HB3 PRO A 111 11.414 -4.584 0.567 1.00 0.00 H new ATOM 0 HG2 PRO A 111 13.834 -3.614 -0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 111 12.393 -2.617 -0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 111 14.714 -2.567 1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.535 -1.311 1.387 1.00 0.00 H new ATOM 1726 N GLU A 112 13.082 -5.570 3.708 1.00 0.00 N ATOM 1727 CA GLU A 112 13.171 -6.754 4.554 1.00 0.00 C ATOM 1728 C GLU A 112 13.045 -6.372 6.025 1.00 0.00 C ATOM 1729 O GLU A 112 12.640 -7.187 6.854 1.00 0.00 O ATOM 1730 CB GLU A 112 14.462 -7.555 4.294 1.00 0.00 C ATOM 1731 CG GLU A 112 15.760 -6.781 4.475 1.00 0.00 C ATOM 1732 CD GLU A 112 15.992 -5.752 3.388 1.00 0.00 C ATOM 1733 OE1 GLU A 112 16.453 -6.129 2.291 1.00 0.00 O ATOM 1734 OE2 GLU A 112 15.712 -4.567 3.633 1.00 0.00 O ATOM 0 H GLU A 112 13.963 -5.277 3.286 1.00 0.00 H new ATOM 0 HA GLU A 112 12.337 -7.406 4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 112 14.476 -8.416 4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 112 14.429 -7.943 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.747 -6.281 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.595 -7.481 4.489 1.00 0.00 H new ATOM 1741 N GLU A 113 13.385 -5.128 6.342 1.00 0.00 N ATOM 1742 CA GLU A 113 13.160 -4.592 7.679 1.00 0.00 C ATOM 1743 C GLU A 113 11.665 -4.469 7.954 1.00 0.00 C ATOM 1744 O GLU A 113 11.196 -4.804 9.041 1.00 0.00 O ATOM 1745 CB GLU A 113 13.813 -3.214 7.822 1.00 0.00 C ATOM 1746 CG GLU A 113 15.296 -3.192 7.495 1.00 0.00 C ATOM 1747 CD GLU A 113 16.104 -4.115 8.379 1.00 0.00 C ATOM 1748 OE1 GLU A 113 16.200 -3.845 9.591 1.00 0.00 O ATOM 1749 OE2 GLU A 113 16.664 -5.100 7.857 1.00 0.00 O ATOM 0 H GLU A 113 13.817 -4.472 5.692 1.00 0.00 H new ATOM 0 HA GLU A 113 13.607 -5.278 8.399 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.298 -2.510 7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.672 -2.862 8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.438 -3.478 6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.672 -2.174 7.600 1.00 0.00 H new ATOM 1756 N ALA A 114 10.927 -3.997 6.951 1.00 0.00 N ATOM 1757 CA ALA A 114 9.487 -3.764 7.066 1.00 0.00 C ATOM 1758 C ALA A 114 8.727 -5.025 7.465 1.00 0.00 C ATOM 1759 O ALA A 114 7.759 -4.954 8.216 1.00 0.00 O ATOM 1760 CB ALA A 114 8.929 -3.213 5.761 1.00 0.00 C ATOM 0 H ALA A 114 11.310 -3.765 6.035 1.00 0.00 H new ATOM 0 HA ALA A 114 9.347 -3.030 7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 114 7.857 -3.046 5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.422 -2.270 5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 114 9.108 -3.928 4.958 1.00 0.00 H new ATOM 1766 N LEU A 115 9.170 -6.176 6.982 1.00 0.00 N ATOM 1767 CA LEU A 115 8.484 -7.428 7.289 1.00 0.00 C ATOM 1768 C LEU A 115 8.765 -7.888 8.716 1.00 0.00 C ATOM 1769 O LEU A 115 8.111 -8.804 9.220 1.00 0.00 O ATOM 1770 CB LEU A 115 8.845 -8.526 6.288 1.00 0.00 C ATOM 1771 CG LEU A 115 8.101 -8.451 4.950 1.00 0.00 C ATOM 1772 CD1 LEU A 115 8.451 -9.644 4.078 1.00 0.00 C ATOM 1773 CD2 LEU A 115 6.596 -8.383 5.173 1.00 0.00 C ATOM 0 H LEU A 115 9.990 -6.272 6.383 1.00 0.00 H new ATOM 0 HA LEU A 115 7.415 -7.233 7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.917 -8.482 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 115 8.643 -9.495 6.745 1.00 0.00 H new ATOM 0 HG LEU A 115 8.415 -7.542 4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.913 -9.574 3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.524 -9.652 3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.167 -10.564 4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.088 -8.330 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.267 -9.273 5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.355 -7.497 5.760 1.00 0.00 H new ATOM 1785 N GLN A 116 9.739 -7.262 9.368 1.00 0.00 N ATOM 1786 CA GLN A 116 9.998 -7.505 10.781 1.00 0.00 C ATOM 1787 C GLN A 116 9.068 -6.651 11.632 1.00 0.00 C ATOM 1788 O GLN A 116 8.942 -6.852 12.841 1.00 0.00 O ATOM 1789 CB GLN A 116 11.449 -7.161 11.107 1.00 0.00 C ATOM 1790 CG GLN A 116 12.460 -7.933 10.276 1.00 0.00 C ATOM 1791 CD GLN A 116 13.868 -7.386 10.415 1.00 0.00 C ATOM 1792 OE1 GLN A 116 14.243 -6.854 11.459 1.00 0.00 O ATOM 1793 NE2 GLN A 116 14.654 -7.497 9.354 1.00 0.00 N ATOM 0 H GLN A 116 10.364 -6.580 8.938 1.00 0.00 H new ATOM 0 HA GLN A 116 9.819 -8.558 10.999 1.00 0.00 H new ATOM 0 HB2 GLN A 116 11.604 -6.093 10.952 1.00 0.00 H new ATOM 0 HB3 GLN A 116 11.632 -7.360 12.163 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.449 -8.980 10.578 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.163 -7.901 9.228 1.00 0.00 H new ATOM 0 HE21 GLN A 116 14.306 -7.945 8.506 1.00 0.00 H new ATOM 0 HE22 GLN A 116 15.607 -7.134 9.385 1.00 0.00 H new ATOM 1802 N TYR A 117 8.426 -5.693 10.984 1.00 0.00 N ATOM 1803 CA TYR A 117 7.474 -4.823 11.646 1.00 0.00 C ATOM 1804 C TYR A 117 6.113 -5.492 11.659 1.00 0.00 C ATOM 1805 O TYR A 117 5.842 -6.361 10.828 1.00 0.00 O ATOM 1806 CB TYR A 117 7.373 -3.474 10.926 1.00 0.00 C ATOM 1807 CG TYR A 117 8.506 -2.514 11.220 1.00 0.00 C ATOM 1808 CD1 TYR A 117 9.780 -2.739 10.722 1.00 0.00 C ATOM 1809 CD2 TYR A 117 8.294 -1.371 11.980 1.00 0.00 C ATOM 1810 CE1 TYR A 117 10.814 -1.857 10.973 1.00 0.00 C ATOM 1811 CE2 TYR A 117 9.323 -0.482 12.238 1.00 0.00 C ATOM 1812 CZ TYR A 117 10.581 -0.731 11.731 1.00 0.00 C ATOM 1813 OH TYR A 117 11.609 0.153 11.980 1.00 0.00 O ATOM 0 H TYR A 117 8.550 -5.499 9.990 1.00 0.00 H new ATOM 0 HA TYR A 117 7.815 -4.644 12.666 1.00 0.00 H new ATOM 0 HB2 TYR A 117 7.336 -3.653 9.851 1.00 0.00 H new ATOM 0 HB3 TYR A 117 6.432 -2.999 11.203 1.00 0.00 H new ATOM 0 HD1 TYR A 117 9.968 -3.620 10.127 1.00 0.00 H new ATOM 0 HD2 TYR A 117 7.309 -1.172 12.377 1.00 0.00 H new ATOM 0 HE1 TYR A 117 11.800 -2.050 10.577 1.00 0.00 H new ATOM 0 HE2 TYR A 117 9.142 0.401 12.833 1.00 0.00 H new ATOM 0 HH TYR A 117 11.277 0.894 12.529 1.00 0.00 H new ATOM 1823 N PRO A 118 5.241 -5.118 12.600 1.00 0.00 N ATOM 1824 CA PRO A 118 3.885 -5.652 12.649 1.00 0.00 C ATOM 1825 C PRO A 118 3.033 -5.115 11.503 1.00 0.00 C ATOM 1826 O PRO A 118 2.302 -4.143 11.662 1.00 0.00 O ATOM 1827 CB PRO A 118 3.354 -5.167 13.999 1.00 0.00 C ATOM 1828 CG PRO A 118 4.145 -3.939 14.294 1.00 0.00 C ATOM 1829 CD PRO A 118 5.505 -4.164 13.692 1.00 0.00 C ATOM 0 HA PRO A 118 3.860 -6.737 12.546 1.00 0.00 H new ATOM 0 HB2 PRO A 118 2.287 -4.949 13.950 1.00 0.00 H new ATOM 0 HB3 PRO A 118 3.490 -5.922 14.773 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.670 -3.057 13.865 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.217 -3.771 15.369 1.00 0.00 H new ATOM 0 HD2 PRO A 118 5.938 -3.236 13.319 1.00 0.00 H new ATOM 0 HD3 PRO A 118 6.205 -4.572 14.421 1.00 0.00 H new ATOM 1837 N LEU A 119 3.175 -5.720 10.338 1.00 0.00 N ATOM 1838 CA LEU A 119 2.393 -5.330 9.175 1.00 0.00 C ATOM 1839 C LEU A 119 1.085 -6.110 9.142 1.00 0.00 C ATOM 1840 O LEU A 119 1.008 -7.221 9.671 1.00 0.00 O ATOM 1841 CB LEU A 119 3.177 -5.587 7.884 1.00 0.00 C ATOM 1842 CG LEU A 119 4.472 -4.787 7.716 1.00 0.00 C ATOM 1843 CD1 LEU A 119 5.106 -5.095 6.371 1.00 0.00 C ATOM 1844 CD2 LEU A 119 4.212 -3.298 7.845 1.00 0.00 C ATOM 0 H LEU A 119 3.827 -6.486 10.170 1.00 0.00 H new ATOM 0 HA LEU A 119 2.179 -4.264 9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.420 -6.648 7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.526 -5.369 7.037 1.00 0.00 H new ATOM 0 HG LEU A 119 5.160 -5.081 8.509 1.00 0.00 H new ATOM 0 HD11 LEU A 119 6.026 -4.521 6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.333 -6.159 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.414 -4.826 5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 119 5.148 -2.753 7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.505 -2.984 7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.795 -3.085 8.830 1.00 0.00 H new ATOM 1856 N ALA A 120 0.059 -5.526 8.533 1.00 0.00 N ATOM 1857 CA ALA A 120 -1.219 -6.207 8.387 1.00 0.00 C ATOM 1858 C ALA A 120 -1.077 -7.413 7.456 1.00 0.00 C ATOM 1859 O ALA A 120 -0.187 -7.445 6.604 1.00 0.00 O ATOM 1860 CB ALA A 120 -2.274 -5.240 7.870 1.00 0.00 C ATOM 0 H ALA A 120 0.088 -4.587 8.135 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.539 -6.570 9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.225 -5.762 7.765 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.388 -4.415 8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.966 -4.849 6.900 1.00 0.00 H new ATOM 1866 N PRO A 121 -1.950 -8.428 7.602 1.00 0.00 N ATOM 1867 CA PRO A 121 -1.857 -9.674 6.825 1.00 0.00 C ATOM 1868 C PRO A 121 -2.027 -9.472 5.317 1.00 0.00 C ATOM 1869 O PRO A 121 -1.824 -10.399 4.535 1.00 0.00 O ATOM 1870 CB PRO A 121 -2.997 -10.536 7.382 1.00 0.00 C ATOM 1871 CG PRO A 121 -3.932 -9.579 8.035 1.00 0.00 C ATOM 1872 CD PRO A 121 -3.078 -8.456 8.550 1.00 0.00 C ATOM 0 HA PRO A 121 -0.869 -10.123 6.926 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -3.495 -11.091 6.587 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -2.623 -11.269 8.096 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -4.674 -9.212 7.326 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -4.478 -10.059 8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.620 -7.510 8.559 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -2.742 -8.641 9.570 1.00 0.00 H new ATOM 1880 N ALA A 122 -2.398 -8.268 4.908 1.00 0.00 N ATOM 1881 CA ALA A 122 -2.556 -7.962 3.493 1.00 0.00 C ATOM 1882 C ALA A 122 -1.316 -7.252 2.962 1.00 0.00 C ATOM 1883 O ALA A 122 -1.041 -7.263 1.762 1.00 0.00 O ATOM 1884 CB ALA A 122 -3.796 -7.108 3.271 1.00 0.00 C ATOM 0 H ALA A 122 -2.595 -7.487 5.534 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.679 -8.897 2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.901 -6.888 2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.677 -7.648 3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.700 -6.176 3.827 1.00 0.00 H new ATOM 1890 N ASP A 123 -0.562 -6.667 3.879 1.00 0.00 N ATOM 1891 CA ASP A 123 0.617 -5.873 3.543 1.00 0.00 C ATOM 1892 C ASP A 123 1.832 -6.765 3.358 1.00 0.00 C ATOM 1893 O ASP A 123 2.749 -6.443 2.599 1.00 0.00 O ATOM 1894 CB ASP A 123 0.901 -4.868 4.660 1.00 0.00 C ATOM 1895 CG ASP A 123 -0.210 -3.849 4.834 1.00 0.00 C ATOM 1896 OD1 ASP A 123 -1.349 -4.263 5.144 1.00 0.00 O ATOM 1897 OD2 ASP A 123 0.056 -2.642 4.662 1.00 0.00 O ATOM 0 H ASP A 123 -0.748 -6.727 4.880 1.00 0.00 H new ATOM 0 HA ASP A 123 0.418 -5.346 2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.044 -5.405 5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.834 -4.347 4.445 1.00 0.00 H new ATOM 1902 N ILE A 124 1.820 -7.902 4.044 1.00 0.00 N ATOM 1903 CA ILE A 124 2.949 -8.821 4.029 1.00 0.00 C ATOM 1904 C ILE A 124 3.200 -9.374 2.621 1.00 0.00 C ATOM 1905 O ILE A 124 4.280 -9.167 2.073 1.00 0.00 O ATOM 1906 CB ILE A 124 2.750 -9.982 5.033 1.00 0.00 C ATOM 1907 CG1 ILE A 124 2.573 -9.427 6.449 1.00 0.00 C ATOM 1908 CG2 ILE A 124 3.928 -10.947 4.977 1.00 0.00 C ATOM 1909 CD1 ILE A 124 2.279 -10.492 7.485 1.00 0.00 C ATOM 0 H ILE A 124 1.036 -8.209 4.620 1.00 0.00 H new ATOM 0 HA ILE A 124 3.827 -8.253 4.336 1.00 0.00 H new ATOM 0 HB ILE A 124 1.849 -10.531 4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 124 3.478 -8.892 6.737 1.00 0.00 H new ATOM 0 HG13 ILE A 124 1.761 -8.700 6.447 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.770 -11.756 5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 124 4.012 -11.360 3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.846 -10.416 5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 124 2.166 -10.026 8.464 1.00 0.00 H new ATOM 0 HD12 ILE A 124 1.358 -11.011 7.222 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.102 -11.206 7.516 1.00 0.00 H new ATOM 1921 N PRO A 125 2.203 -10.054 1.999 1.00 0.00 N ATOM 1922 CA PRO A 125 2.347 -10.629 0.650 1.00 0.00 C ATOM 1923 C PRO A 125 2.834 -9.608 -0.378 1.00 0.00 C ATOM 1924 O PRO A 125 3.591 -9.944 -1.289 1.00 0.00 O ATOM 1925 CB PRO A 125 0.930 -11.108 0.295 1.00 0.00 C ATOM 1926 CG PRO A 125 0.034 -10.504 1.320 1.00 0.00 C ATOM 1927 CD PRO A 125 0.871 -10.334 2.549 1.00 0.00 C ATOM 0 HA PRO A 125 3.093 -11.424 0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 125 0.648 -10.789 -0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 125 0.868 -12.196 0.313 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.359 -9.546 0.979 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.823 -11.148 1.517 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.511 -9.516 3.174 1.00 0.00 H new ATOM 0 HD3 PRO A 125 0.869 -11.232 3.167 1.00 0.00 H new ATOM 1935 N LEU A 126 2.410 -8.360 -0.214 1.00 0.00 N ATOM 1936 CA LEU A 126 2.790 -7.296 -1.129 1.00 0.00 C ATOM 1937 C LEU A 126 4.261 -6.944 -0.967 1.00 0.00 C ATOM 1938 O LEU A 126 4.962 -6.700 -1.950 1.00 0.00 O ATOM 1939 CB LEU A 126 1.914 -6.061 -0.890 1.00 0.00 C ATOM 1940 CG LEU A 126 0.633 -5.988 -1.732 1.00 0.00 C ATOM 1941 CD1 LEU A 126 -0.101 -7.314 -1.731 1.00 0.00 C ATOM 1942 CD2 LEU A 126 -0.277 -4.883 -1.220 1.00 0.00 C ATOM 0 H LEU A 126 1.801 -8.062 0.548 1.00 0.00 H new ATOM 0 HA LEU A 126 2.636 -7.645 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.638 -6.031 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.510 -5.170 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 126 0.921 -5.761 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.004 -7.230 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.544 -8.087 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.372 -7.579 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.181 -4.845 -1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.546 -5.084 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.242 -3.927 -1.281 1.00 0.00 H new ATOM 1954 N LEU A 127 4.733 -6.938 0.272 1.00 0.00 N ATOM 1955 CA LEU A 127 6.120 -6.619 0.543 1.00 0.00 C ATOM 1956 C LEU A 127 7.001 -7.775 0.099 1.00 0.00 C ATOM 1957 O LEU A 127 8.085 -7.565 -0.446 1.00 0.00 O ATOM 1958 CB LEU A 127 6.329 -6.323 2.033 1.00 0.00 C ATOM 1959 CG LEU A 127 7.622 -5.569 2.383 1.00 0.00 C ATOM 1960 CD1 LEU A 127 8.850 -6.454 2.233 1.00 0.00 C ATOM 1961 CD2 LEU A 127 7.764 -4.350 1.493 1.00 0.00 C ATOM 0 H LEU A 127 4.175 -7.150 1.099 1.00 0.00 H new ATOM 0 HA LEU A 127 6.394 -5.724 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.481 -5.740 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.321 -7.267 2.578 1.00 0.00 H new ATOM 0 HG LEU A 127 7.554 -5.262 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.743 -5.884 2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.764 -7.312 2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.925 -6.801 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.682 -3.820 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 127 7.802 -4.664 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 127 6.910 -3.689 1.643 1.00 0.00 H new ATOM 1973 N GLU A 128 6.521 -8.993 0.323 1.00 0.00 N ATOM 1974 CA GLU A 128 7.261 -10.189 -0.054 1.00 0.00 C ATOM 1975 C GLU A 128 7.654 -10.140 -1.527 1.00 0.00 C ATOM 1976 O GLU A 128 8.784 -10.462 -1.885 1.00 0.00 O ATOM 1977 CB GLU A 128 6.440 -11.451 0.223 1.00 0.00 C ATOM 1978 CG GLU A 128 6.012 -11.598 1.673 1.00 0.00 C ATOM 1979 CD GLU A 128 5.337 -12.925 1.949 1.00 0.00 C ATOM 1980 OE1 GLU A 128 4.101 -13.012 1.808 1.00 0.00 O ATOM 1981 OE2 GLU A 128 6.043 -13.891 2.304 1.00 0.00 O ATOM 0 H GLU A 128 5.620 -9.177 0.765 1.00 0.00 H new ATOM 0 HA GLU A 128 8.167 -10.223 0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.552 -11.441 -0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 128 7.026 -12.324 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.885 -11.498 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.331 -10.787 1.931 1.00 0.00 H new ATOM 1988 N ALA A 129 6.731 -9.709 -2.382 1.00 0.00 N ATOM 1989 CA ALA A 129 7.020 -9.619 -3.805 1.00 0.00 C ATOM 1990 C ALA A 129 7.792 -8.355 -4.132 1.00 0.00 C ATOM 1991 O ALA A 129 8.451 -8.282 -5.164 1.00 0.00 O ATOM 1992 CB ALA A 129 5.761 -9.675 -4.643 1.00 0.00 C ATOM 0 H ALA A 129 5.789 -9.421 -2.117 1.00 0.00 H new ATOM 0 HA ALA A 129 7.635 -10.485 -4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.023 -9.605 -5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 129 5.243 -10.617 -4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 129 5.108 -8.844 -4.375 1.00 0.00 H new ATOM 1998 N PHE A 130 7.732 -7.368 -3.252 1.00 0.00 N ATOM 1999 CA PHE A 130 8.447 -6.128 -3.470 1.00 0.00 C ATOM 2000 C PHE A 130 9.929 -6.366 -3.254 1.00 0.00 C ATOM 2001 O PHE A 130 10.767 -5.966 -4.065 1.00 0.00 O ATOM 2002 CB PHE A 130 7.937 -5.045 -2.516 1.00 0.00 C ATOM 2003 CG PHE A 130 8.604 -3.715 -2.707 1.00 0.00 C ATOM 2004 CD1 PHE A 130 8.219 -2.881 -3.741 1.00 0.00 C ATOM 2005 CD2 PHE A 130 9.616 -3.299 -1.858 1.00 0.00 C ATOM 2006 CE1 PHE A 130 8.827 -1.658 -3.928 1.00 0.00 C ATOM 2007 CE2 PHE A 130 10.230 -2.077 -2.039 1.00 0.00 C ATOM 2008 CZ PHE A 130 9.831 -1.254 -3.076 1.00 0.00 C ATOM 0 H PHE A 130 7.197 -7.404 -2.384 1.00 0.00 H new ATOM 0 HA PHE A 130 8.279 -5.787 -4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 130 6.862 -4.927 -2.655 1.00 0.00 H new ATOM 0 HB3 PHE A 130 8.091 -5.375 -1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 130 7.431 -3.192 -4.411 1.00 0.00 H new ATOM 0 HD2 PHE A 130 9.928 -3.938 -1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 130 8.517 -1.018 -4.741 1.00 0.00 H new ATOM 0 HE2 PHE A 130 11.020 -1.764 -1.373 1.00 0.00 H new ATOM 0 HZ PHE A 130 10.306 -0.295 -3.218 1.00 0.00 H new ATOM 2018 N MET A 131 10.246 -7.042 -2.157 1.00 0.00 N ATOM 2019 CA MET A 131 11.617 -7.428 -1.888 1.00 0.00 C ATOM 2020 C MET A 131 12.054 -8.502 -2.876 1.00 0.00 C ATOM 2021 O MET A 131 13.216 -8.548 -3.264 1.00 0.00 O ATOM 2022 CB MET A 131 11.791 -7.907 -0.440 1.00 0.00 C ATOM 2023 CG MET A 131 11.028 -9.176 -0.098 1.00 0.00 C ATOM 2024 SD MET A 131 11.282 -9.702 1.609 1.00 0.00 S ATOM 2025 CE MET A 131 13.046 -10.016 1.599 1.00 0.00 C ATOM 0 H MET A 131 9.574 -7.331 -1.446 1.00 0.00 H new ATOM 0 HA MET A 131 12.253 -6.552 -2.015 1.00 0.00 H new ATOM 0 HB2 MET A 131 12.851 -8.074 -0.251 1.00 0.00 H new ATOM 0 HB3 MET A 131 11.469 -7.112 0.233 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.964 -9.013 -0.269 1.00 0.00 H new ATOM 0 HG3 MET A 131 11.340 -9.975 -0.770 1.00 0.00 H new ATOM 0 HE1 MET A 131 13.329 -10.532 2.517 1.00 0.00 H new ATOM 0 HE2 MET A 131 13.300 -10.637 0.740 1.00 0.00 H new ATOM 0 HE3 MET A 131 13.584 -9.070 1.534 1.00 0.00 H new ATOM 2035 N ALA A 132 11.114 -9.356 -3.300 1.00 0.00 N ATOM 2036 CA ALA A 132 11.374 -10.322 -4.361 1.00 0.00 C ATOM 2037 C ALA A 132 11.839 -9.622 -5.631 1.00 0.00 C ATOM 2038 O ALA A 132 12.766 -10.077 -6.299 1.00 0.00 O ATOM 2039 CB ALA A 132 10.122 -11.146 -4.647 1.00 0.00 C ATOM 0 H ALA A 132 10.168 -9.393 -2.921 1.00 0.00 H new ATOM 0 HA ALA A 132 12.168 -10.989 -4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 132 10.332 -11.863 -5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 132 9.824 -11.681 -3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 132 9.314 -10.484 -4.959 1.00 0.00 H new ATOM 2045 N LEU A 133 11.207 -8.501 -5.945 1.00 0.00 N ATOM 2046 CA LEU A 133 11.560 -7.734 -7.129 1.00 0.00 C ATOM 2047 C LEU A 133 12.963 -7.164 -7.001 1.00 0.00 C ATOM 2048 O LEU A 133 13.749 -7.215 -7.939 1.00 0.00 O ATOM 2049 CB LEU A 133 10.558 -6.603 -7.361 1.00 0.00 C ATOM 2050 CG LEU A 133 9.591 -6.818 -8.527 1.00 0.00 C ATOM 2051 CD1 LEU A 133 8.718 -8.041 -8.293 1.00 0.00 C ATOM 2052 CD2 LEU A 133 8.740 -5.578 -8.740 1.00 0.00 C ATOM 0 H LEU A 133 10.446 -8.102 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 133 11.531 -8.408 -7.985 1.00 0.00 H new ATOM 0 HB2 LEU A 133 9.977 -6.461 -6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 133 11.111 -5.679 -7.534 1.00 0.00 H new ATOM 0 HG LEU A 133 10.176 -6.996 -9.430 1.00 0.00 H new ATOM 0 HD11 LEU A 133 8.040 -8.171 -9.137 1.00 0.00 H new ATOM 0 HD12 LEU A 133 9.349 -8.925 -8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 133 8.139 -7.905 -7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 133 8.056 -5.744 -9.573 1.00 0.00 H new ATOM 0 HD22 LEU A 133 8.167 -5.370 -7.836 1.00 0.00 H new ATOM 0 HD23 LEU A 133 9.385 -4.728 -8.964 1.00 0.00 H new ATOM 2064 N ARG A 134 13.279 -6.630 -5.833 1.00 0.00 N ATOM 2065 CA ARG A 134 14.592 -6.050 -5.599 1.00 0.00 C ATOM 2066 C ARG A 134 15.675 -7.124 -5.480 1.00 0.00 C ATOM 2067 O ARG A 134 16.860 -6.835 -5.628 1.00 0.00 O ATOM 2068 CB ARG A 134 14.567 -5.177 -4.346 1.00 0.00 C ATOM 2069 CG ARG A 134 13.822 -3.864 -4.539 1.00 0.00 C ATOM 2070 CD ARG A 134 13.753 -3.056 -3.252 1.00 0.00 C ATOM 2071 NE ARG A 134 15.072 -2.865 -2.644 1.00 0.00 N ATOM 2072 CZ ARG A 134 15.351 -1.933 -1.732 1.00 0.00 C ATOM 2073 NH1 ARG A 134 14.470 -0.984 -1.444 1.00 0.00 N ATOM 2074 NH2 ARG A 134 16.543 -1.919 -1.150 1.00 0.00 N ATOM 0 H ARG A 134 12.647 -6.586 -5.034 1.00 0.00 H new ATOM 0 HA ARG A 134 14.839 -5.431 -6.461 1.00 0.00 H new ATOM 0 HB2 ARG A 134 14.101 -5.734 -3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 134 15.591 -4.964 -4.040 1.00 0.00 H new ATOM 0 HG2 ARG A 134 14.318 -3.275 -5.311 1.00 0.00 H new ATOM 0 HG3 ARG A 134 12.812 -4.069 -4.894 1.00 0.00 H new ATOM 0 HD2 ARG A 134 13.307 -2.083 -3.460 1.00 0.00 H new ATOM 0 HD3 ARG A 134 13.098 -3.562 -2.543 1.00 0.00 H new ATOM 0 HE ARG A 134 15.826 -3.486 -2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 134 13.569 -0.962 -1.922 1.00 0.00 H new ATOM 0 HH12 ARG A 134 14.693 -0.276 -0.745 1.00 0.00 H new ATOM 0 HH21 ARG A 134 17.241 -2.619 -1.401 1.00 0.00 H new ATOM 0 HH22 ARG A 134 16.761 -1.208 -0.452 1.00 0.00 H new ATOM 2088 N ALA A 135 15.267 -8.362 -5.225 1.00 0.00 N ATOM 2089 CA ALA A 135 16.218 -9.459 -5.080 1.00 0.00 C ATOM 2090 C ALA A 135 16.454 -10.180 -6.406 1.00 0.00 C ATOM 2091 O ALA A 135 17.572 -10.609 -6.697 1.00 0.00 O ATOM 2092 CB ALA A 135 15.733 -10.443 -4.025 1.00 0.00 C ATOM 0 H ALA A 135 14.289 -8.631 -5.115 1.00 0.00 H new ATOM 0 HA ALA A 135 17.169 -9.032 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 135 16.452 -11.256 -3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 135 15.633 -9.931 -3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 135 14.766 -10.848 -4.323 1.00 0.00 H new ATOM 2098 N ALA A 136 15.401 -10.326 -7.199 1.00 0.00 N ATOM 2099 CA ALA A 136 15.500 -11.023 -8.478 1.00 0.00 C ATOM 2100 C ALA A 136 15.747 -10.047 -9.623 1.00 0.00 C ATOM 2101 O ALA A 136 16.102 -10.466 -10.725 1.00 0.00 O ATOM 2102 CB ALA A 136 14.239 -11.833 -8.740 1.00 0.00 C ATOM 0 H ALA A 136 14.469 -9.972 -6.981 1.00 0.00 H new ATOM 0 HA ALA A 136 16.351 -11.701 -8.423 1.00 0.00 H new ATOM 0 HB1 ALA A 136 14.329 -12.346 -9.697 1.00 0.00 H new ATOM 0 HB2 ALA A 136 14.107 -12.567 -7.945 1.00 0.00 H new ATOM 0 HB3 ALA A 136 13.377 -11.166 -8.765 1.00 0.00 H new