USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=16 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 71 TYR OH : rot -173:sc= -2.29! USER MOD Set 1.2: A 87 HIS : +bothHN:sc= 2.29 K(o=-0.0054,f=-16!) USER MOD Set 2.1: A 74 SER OG : rot 9:sc= 1.3 USER MOD Set 2.2: A 85 HIS :FLIP no HE2:sc= 0.0932 F(o=0.43,f=1.4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl -164:sc= -0.0654 (180deg=-0.416) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.84) 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 50 GLN : amide:sc= -0.248 K(o=-0.25,f=-2.6!) USER MOD Single : A 52 GLN : amide:sc= -0.0499 X(o=-0.05,f=-0.12) USER MOD Single : A 67 THR OG1 : rot 147:sc= 1.26 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 80 SER OG : rot 27:sc= 0.66 USER MOD Single : A 90 HIS : +bothHN:sc= 0.455 K(o=0.45,f=-10!) USER MOD Single : A 95 HIS : no HD1:sc= -0.427 K(o=-0.43,f=-2.2!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 101 HIS : no HE2:sc= 0.965 K(o=0.97,f=-6.6!) USER MOD Single : A 103 HIS : +bothHN:sc= 0.645 K(o=0.65,f=-7.6!) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 CYS SG : rot 180:sc= -3.08! USER MOD Single : A 110 SER OG : rot 180:sc= -0.178 USER MOD Single : A 116 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.76) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -118:sc= -1.15 (180deg=-4.69!) USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 7 -18.759 -8.872 -4.054 1.00 0.00 N ATOM 79 CA LYS A 7 -18.323 -7.736 -4.842 1.00 0.00 C ATOM 80 C LYS A 7 -16.831 -7.573 -4.652 1.00 0.00 C ATOM 81 O LYS A 7 -16.289 -7.981 -3.623 1.00 0.00 O ATOM 82 CB LYS A 7 -19.043 -6.448 -4.429 1.00 0.00 C ATOM 83 CG LYS A 7 -20.538 -6.464 -4.700 1.00 0.00 C ATOM 84 CD LYS A 7 -20.978 -5.233 -5.484 1.00 0.00 C ATOM 85 CE LYS A 7 -20.348 -5.198 -6.870 1.00 0.00 C ATOM 86 NZ LYS A 7 -20.826 -4.042 -7.671 1.00 0.00 N ATOM 0 HA LYS A 7 -18.563 -7.920 -5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -18.878 -6.277 -3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -18.596 -5.607 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -20.798 -7.364 -5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -21.079 -6.507 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -22.064 -5.229 -5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -20.702 -4.333 -4.935 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -19.263 -5.148 -6.774 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -20.579 -6.124 -7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -20.372 -4.057 -8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -21.858 -4.102 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -20.583 -3.157 -7.182 1.00 0.00 H new ATOM 100 N MET A 8 -16.160 -7.000 -5.627 1.00 0.00 N ATOM 101 CA MET A 8 -14.734 -6.800 -5.508 1.00 0.00 C ATOM 102 C MET A 8 -14.431 -5.394 -5.032 1.00 0.00 C ATOM 103 O MET A 8 -14.902 -4.408 -5.599 1.00 0.00 O ATOM 104 CB MET A 8 -14.012 -7.101 -6.819 1.00 0.00 C ATOM 105 CG MET A 8 -13.817 -8.588 -7.073 1.00 0.00 C ATOM 106 SD MET A 8 -12.890 -8.919 -8.585 1.00 0.00 S ATOM 107 CE MET A 8 -14.018 -8.282 -9.824 1.00 0.00 C ATOM 0 H MET A 8 -16.572 -6.669 -6.499 1.00 0.00 H new ATOM 0 HA MET A 8 -14.361 -7.504 -4.764 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.578 -6.670 -7.645 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.039 -6.611 -6.810 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.294 -9.032 -6.226 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.791 -9.073 -7.135 1.00 0.00 H new ATOM 0 HE1 MET A 8 -13.732 -8.660 -10.805 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.033 -8.605 -9.592 1.00 0.00 H new ATOM 0 HE3 MET A 8 -13.976 -7.193 -9.829 1.00 0.00 H new ATOM 117 N ILE A 9 -13.652 -5.328 -3.974 1.00 0.00 N ATOM 118 CA ILE A 9 -13.250 -4.076 -3.371 1.00 0.00 C ATOM 119 C ILE A 9 -11.807 -3.814 -3.738 1.00 0.00 C ATOM 120 O ILE A 9 -10.927 -4.583 -3.380 1.00 0.00 O ATOM 121 CB ILE A 9 -13.370 -4.142 -1.833 1.00 0.00 C ATOM 122 CG1 ILE A 9 -14.819 -4.398 -1.417 1.00 0.00 C ATOM 123 CG2 ILE A 9 -12.831 -2.886 -1.162 1.00 0.00 C ATOM 124 CD1 ILE A 9 -15.043 -4.284 0.076 1.00 0.00 C ATOM 0 H ILE A 9 -13.276 -6.151 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.899 -3.280 -3.736 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.755 -4.976 -1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.468 -3.688 -1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.114 -5.394 -1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.936 -2.977 -0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.778 -2.762 -1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.392 -2.019 -1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.092 -4.477 0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.420 -5.013 0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.779 -3.280 0.408 1.00 0.00 H new ATOM 136 N GLU A 10 -11.552 -2.754 -4.457 1.00 0.00 N ATOM 137 CA GLU A 10 -10.197 -2.471 -4.868 1.00 0.00 C ATOM 138 C GLU A 10 -9.563 -1.502 -3.901 1.00 0.00 C ATOM 139 O GLU A 10 -10.084 -0.417 -3.664 1.00 0.00 O ATOM 140 CB GLU A 10 -10.137 -1.925 -6.294 1.00 0.00 C ATOM 141 CG GLU A 10 -10.601 -2.924 -7.338 1.00 0.00 C ATOM 142 CD GLU A 10 -9.972 -2.673 -8.690 1.00 0.00 C ATOM 143 OE1 GLU A 10 -8.845 -3.161 -8.916 1.00 0.00 O ATOM 144 OE2 GLU A 10 -10.592 -1.987 -9.527 1.00 0.00 O ATOM 0 H GLU A 10 -12.251 -2.079 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.639 -3.407 -4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.754 -1.029 -6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.114 -1.624 -6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.355 -3.933 -7.007 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.686 -2.874 -7.429 1.00 0.00 H new ATOM 151 N VAL A 11 -8.453 -1.908 -3.320 1.00 0.00 N ATOM 152 CA VAL A 11 -7.732 -1.070 -2.390 1.00 0.00 C ATOM 153 C VAL A 11 -6.305 -0.933 -2.873 1.00 0.00 C ATOM 154 O VAL A 11 -5.624 -1.928 -3.115 1.00 0.00 O ATOM 155 CB VAL A 11 -7.744 -1.645 -0.956 1.00 0.00 C ATOM 156 CG1 VAL A 11 -6.888 -0.799 -0.022 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.167 -1.741 -0.427 1.00 0.00 C ATOM 0 H VAL A 11 -8.029 -2.822 -3.479 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.224 -0.098 -2.351 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.319 -2.648 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.913 -1.225 0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.860 -0.784 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.277 0.219 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.153 -2.148 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.617 -0.748 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.752 -2.395 -1.073 1.00 0.00 H new ATOM 167 N VAL A 12 -5.864 0.288 -3.041 1.00 0.00 N ATOM 168 CA VAL A 12 -4.523 0.534 -3.509 1.00 0.00 C ATOM 169 C VAL A 12 -3.611 0.863 -2.346 1.00 0.00 C ATOM 170 O VAL A 12 -3.944 1.680 -1.486 1.00 0.00 O ATOM 171 CB VAL A 12 -4.474 1.660 -4.561 1.00 0.00 C ATOM 172 CG1 VAL A 12 -4.893 1.129 -5.924 1.00 0.00 C ATOM 173 CG2 VAL A 12 -5.359 2.827 -4.143 1.00 0.00 C ATOM 0 H VAL A 12 -6.414 1.128 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.175 -0.379 -3.991 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.448 2.022 -4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.854 1.935 -6.656 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.216 0.330 -6.227 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.910 0.741 -5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.310 3.610 -4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.389 2.485 -4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.013 3.222 -3.188 1.00 0.00 H new ATOM 183 N ALA A 13 -2.475 0.198 -2.313 1.00 0.00 N ATOM 184 CA ALA A 13 -1.483 0.417 -1.290 1.00 0.00 C ATOM 185 C ALA A 13 -0.291 1.110 -1.920 1.00 0.00 C ATOM 186 O ALA A 13 0.226 0.665 -2.947 1.00 0.00 O ATOM 187 CB ALA A 13 -1.074 -0.905 -0.647 1.00 0.00 C ATOM 0 H ALA A 13 -2.216 -0.511 -2.999 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.894 1.046 -0.501 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.325 -0.719 0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.948 -1.376 -0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.657 -1.566 -1.407 1.00 0.00 H new ATOM 193 N ALA A 14 0.141 2.196 -1.320 1.00 0.00 N ATOM 194 CA ALA A 14 1.215 2.980 -1.881 1.00 0.00 C ATOM 195 C ALA A 14 2.508 2.678 -1.166 1.00 0.00 C ATOM 196 O ALA A 14 2.668 2.981 0.017 1.00 0.00 O ATOM 197 CB ALA A 14 0.907 4.463 -1.784 1.00 0.00 C ATOM 0 H ALA A 14 -0.236 2.556 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 14 1.317 2.715 -2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.730 5.034 -2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.010 4.681 -2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.779 4.740 -0.738 1.00 0.00 H new ATOM 203 N ILE A 15 3.429 2.080 -1.887 1.00 0.00 N ATOM 204 CA ILE A 15 4.729 1.803 -1.347 1.00 0.00 C ATOM 205 C ILE A 15 5.610 3.006 -1.614 1.00 0.00 C ATOM 206 O ILE A 15 6.109 3.187 -2.727 1.00 0.00 O ATOM 207 CB ILE A 15 5.343 0.530 -1.979 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.505 -0.699 -1.597 1.00 0.00 C ATOM 209 CG2 ILE A 15 6.794 0.353 -1.558 1.00 0.00 C ATOM 210 CD1 ILE A 15 5.208 -2.016 -1.832 1.00 0.00 C ATOM 0 H ILE A 15 3.295 1.777 -2.852 1.00 0.00 H new ATOM 0 HA ILE A 15 4.649 1.619 -0.276 1.00 0.00 H new ATOM 0 HB ILE A 15 5.329 0.640 -3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.231 -0.627 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.577 -0.686 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.199 -0.549 -2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.375 1.217 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.850 0.264 -0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.552 -2.836 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.458 -2.112 -2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.122 -2.052 -1.239 1.00 0.00 H new ATOM 222 N ILE A 16 5.778 3.845 -0.607 1.00 0.00 N ATOM 223 CA ILE A 16 6.514 5.079 -0.778 1.00 0.00 C ATOM 224 C ILE A 16 7.981 4.782 -0.568 1.00 0.00 C ATOM 225 O ILE A 16 8.431 4.646 0.567 1.00 0.00 O ATOM 226 CB ILE A 16 6.080 6.151 0.248 1.00 0.00 C ATOM 227 CG1 ILE A 16 4.563 6.116 0.480 1.00 0.00 C ATOM 228 CG2 ILE A 16 6.519 7.540 -0.209 1.00 0.00 C ATOM 229 CD1 ILE A 16 3.756 6.858 -0.556 1.00 0.00 C ATOM 0 H ILE A 16 5.415 3.692 0.334 1.00 0.00 H new ATOM 0 HA ILE A 16 6.317 5.466 -1.778 1.00 0.00 H new ATOM 0 HB ILE A 16 6.570 5.925 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.235 5.077 0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.348 6.539 1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.205 8.281 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.604 7.564 -0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.062 7.768 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.696 6.782 -0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.051 7.907 -0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.937 6.422 -1.539 1.00 0.00 H new ATOM 241 N GLU A 17 8.721 4.659 -1.646 1.00 0.00 N ATOM 242 CA GLU A 17 10.110 4.282 -1.533 1.00 0.00 C ATOM 243 C GLU A 17 10.990 5.497 -1.725 1.00 0.00 C ATOM 244 O GLU A 17 11.037 6.090 -2.806 1.00 0.00 O ATOM 245 CB GLU A 17 10.471 3.192 -2.533 1.00 0.00 C ATOM 246 CG GLU A 17 11.840 2.583 -2.283 1.00 0.00 C ATOM 247 CD GLU A 17 12.244 1.612 -3.365 1.00 0.00 C ATOM 248 OE1 GLU A 17 12.553 2.076 -4.479 1.00 0.00 O ATOM 249 OE2 GLU A 17 12.244 0.391 -3.108 1.00 0.00 O ATOM 0 H GLU A 17 8.390 4.812 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 17 10.276 3.878 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.717 2.406 -2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.443 3.608 -3.540 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.582 3.379 -2.217 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.836 2.070 -1.321 1.00 0.00 H new ATOM 256 N ARG A 18 11.664 5.876 -0.662 1.00 0.00 N ATOM 257 CA ARG A 18 12.538 7.023 -0.686 1.00 0.00 C ATOM 258 C ARG A 18 13.907 6.618 -0.170 1.00 0.00 C ATOM 259 O ARG A 18 14.018 6.012 0.897 1.00 0.00 O ATOM 260 CB ARG A 18 11.954 8.158 0.158 1.00 0.00 C ATOM 261 CG ARG A 18 12.674 9.479 -0.031 1.00 0.00 C ATOM 262 CD ARG A 18 12.608 9.938 -1.480 1.00 0.00 C ATOM 263 NE ARG A 18 13.347 11.179 -1.695 1.00 0.00 N ATOM 264 CZ ARG A 18 13.602 11.700 -2.895 1.00 0.00 C ATOM 265 NH1 ARG A 18 13.216 11.063 -3.995 1.00 0.00 N ATOM 266 NH2 ARG A 18 14.256 12.852 -2.991 1.00 0.00 N ATOM 0 H ARG A 18 11.621 5.399 0.239 1.00 0.00 H new ATOM 0 HA ARG A 18 12.635 7.384 -1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.902 8.286 -0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.995 7.877 1.210 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.227 10.236 0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.715 9.376 0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.012 9.159 -2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.567 10.082 -1.768 1.00 0.00 H new ATOM 0 HE ARG A 18 13.690 11.679 -0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.723 10.173 -3.923 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.412 11.464 -4.912 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.562 13.336 -2.147 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.452 13.252 -3.908 1.00 0.00 H new ATOM 280 N ASP A 19 14.933 6.906 -0.967 1.00 0.00 N ATOM 281 CA ASP A 19 16.324 6.587 -0.625 1.00 0.00 C ATOM 282 C ASP A 19 16.590 5.089 -0.686 1.00 0.00 C ATOM 283 O ASP A 19 17.711 4.644 -0.451 1.00 0.00 O ATOM 284 CB ASP A 19 16.707 7.103 0.772 1.00 0.00 C ATOM 285 CG ASP A 19 16.790 8.614 0.851 1.00 0.00 C ATOM 286 OD1 ASP A 19 15.756 9.263 1.109 1.00 0.00 O ATOM 287 OD2 ASP A 19 17.901 9.159 0.677 1.00 0.00 O ATOM 0 H ASP A 19 14.827 7.368 -1.870 1.00 0.00 H new ATOM 0 HA ASP A 19 16.939 7.092 -1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.974 6.748 1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.669 6.678 1.058 1.00 0.00 H new ATOM 292 N GLY A 20 15.574 4.307 -1.010 1.00 0.00 N ATOM 293 CA GLY A 20 15.718 2.871 -1.006 1.00 0.00 C ATOM 294 C GLY A 20 14.930 2.241 0.119 1.00 0.00 C ATOM 295 O GLY A 20 14.918 1.019 0.274 1.00 0.00 O ATOM 0 H GLY A 20 14.649 4.644 -1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.379 2.467 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.771 2.610 -0.905 1.00 0.00 H new ATOM 299 N LYS A 21 14.262 3.084 0.904 1.00 0.00 N ATOM 300 CA LYS A 21 13.480 2.621 2.043 1.00 0.00 C ATOM 301 C LYS A 21 11.995 2.831 1.786 1.00 0.00 C ATOM 302 O LYS A 21 11.609 3.705 1.012 1.00 0.00 O ATOM 303 CB LYS A 21 13.882 3.368 3.314 1.00 0.00 C ATOM 304 CG LYS A 21 15.380 3.514 3.490 1.00 0.00 C ATOM 305 CD LYS A 21 15.738 3.782 4.939 1.00 0.00 C ATOM 306 CE LYS A 21 16.625 2.686 5.507 1.00 0.00 C ATOM 307 NZ LYS A 21 17.232 3.078 6.808 1.00 0.00 N ATOM 0 H LYS A 21 14.248 4.095 0.769 1.00 0.00 H new ATOM 0 HA LYS A 21 13.678 1.558 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.429 4.359 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.474 2.843 4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.879 2.606 3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.744 4.330 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.249 4.742 5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.826 3.857 5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.038 1.777 5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.416 2.453 4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.829 2.303 7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.813 3.930 6.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.479 3.275 7.497 1.00 0.00 H new ATOM 321 N ILE A 22 11.170 2.046 2.457 1.00 0.00 N ATOM 322 CA ILE A 22 9.732 2.091 2.258 1.00 0.00 C ATOM 323 C ILE A 22 9.058 2.811 3.424 1.00 0.00 C ATOM 324 O ILE A 22 9.528 2.745 4.561 1.00 0.00 O ATOM 325 CB ILE A 22 9.158 0.664 2.119 1.00 0.00 C ATOM 326 CG1 ILE A 22 10.000 -0.139 1.128 1.00 0.00 C ATOM 327 CG2 ILE A 22 7.702 0.702 1.672 1.00 0.00 C ATOM 328 CD1 ILE A 22 9.538 -1.566 0.957 1.00 0.00 C ATOM 0 H ILE A 22 11.476 1.364 3.151 1.00 0.00 H new ATOM 0 HA ILE A 22 9.531 2.640 1.338 1.00 0.00 H new ATOM 0 HB ILE A 22 9.196 0.179 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.978 0.359 0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.037 -0.140 1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.322 -0.316 1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.110 1.246 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.631 1.203 0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.183 -2.074 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.586 -2.082 1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.511 -1.575 0.592 1.00 0.00 H new ATOM 340 N LEU A 23 7.971 3.511 3.127 1.00 0.00 N ATOM 341 CA LEU A 23 7.246 4.280 4.127 1.00 0.00 C ATOM 342 C LEU A 23 6.177 3.431 4.813 1.00 0.00 C ATOM 343 O LEU A 23 5.262 2.918 4.168 1.00 0.00 O ATOM 344 CB LEU A 23 6.606 5.503 3.470 1.00 0.00 C ATOM 345 CG LEU A 23 5.840 6.441 4.406 1.00 0.00 C ATOM 346 CD1 LEU A 23 6.777 7.034 5.449 1.00 0.00 C ATOM 347 CD2 LEU A 23 5.157 7.542 3.603 1.00 0.00 C ATOM 0 H LEU A 23 7.569 3.561 2.191 1.00 0.00 H new ATOM 0 HA LEU A 23 7.954 4.604 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.389 6.076 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.923 5.158 2.694 1.00 0.00 H new ATOM 0 HG LEU A 23 5.073 5.868 4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.216 7.698 6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.221 6.231 6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.566 7.598 4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.615 8.203 4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.908 8.115 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.459 7.096 2.895 1.00 0.00 H new ATOM 359 N LEU A 24 6.312 3.295 6.123 1.00 0.00 N ATOM 360 CA LEU A 24 5.344 2.565 6.936 1.00 0.00 C ATOM 361 C LEU A 24 4.639 3.523 7.885 1.00 0.00 C ATOM 362 O LEU A 24 5.269 4.401 8.477 1.00 0.00 O ATOM 363 CB LEU A 24 6.010 1.439 7.737 1.00 0.00 C ATOM 364 CG LEU A 24 6.474 0.215 6.930 1.00 0.00 C ATOM 365 CD1 LEU A 24 7.606 0.560 5.978 1.00 0.00 C ATOM 366 CD2 LEU A 24 6.895 -0.902 7.870 1.00 0.00 C ATOM 0 H LEU A 24 7.091 3.685 6.653 1.00 0.00 H new ATOM 0 HA LEU A 24 4.618 2.112 6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.873 1.853 8.258 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.309 1.101 8.500 1.00 0.00 H new ATOM 0 HG LEU A 24 5.631 -0.122 6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.903 -0.333 5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.271 1.324 5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.457 0.937 6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.222 -1.764 7.288 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.715 -0.558 8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.051 -1.187 8.498 1.00 0.00 H new ATOM 378 N ALA A 25 3.336 3.356 8.018 1.00 0.00 N ATOM 379 CA ALA A 25 2.543 4.213 8.878 1.00 0.00 C ATOM 380 C ALA A 25 1.906 3.417 10.008 1.00 0.00 C ATOM 381 O ALA A 25 1.144 2.487 9.767 1.00 0.00 O ATOM 382 CB ALA A 25 1.484 4.926 8.062 1.00 0.00 C ATOM 0 H ALA A 25 2.803 2.631 7.538 1.00 0.00 H new ATOM 0 HA ALA A 25 3.202 4.956 9.327 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.892 5.568 8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.964 5.533 7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.833 4.191 7.589 1.00 0.00 H new ATOM 388 N GLN A 26 2.230 3.787 11.238 1.00 0.00 N ATOM 389 CA GLN A 26 1.736 3.073 12.410 1.00 0.00 C ATOM 390 C GLN A 26 0.235 3.274 12.597 1.00 0.00 C ATOM 391 O GLN A 26 -0.240 4.398 12.799 1.00 0.00 O ATOM 392 CB GLN A 26 2.499 3.515 13.661 1.00 0.00 C ATOM 393 CG GLN A 26 2.036 2.829 14.935 1.00 0.00 C ATOM 394 CD GLN A 26 2.962 3.080 16.109 1.00 0.00 C ATOM 395 OE1 GLN A 26 4.171 3.234 15.944 1.00 0.00 O ATOM 396 NE2 GLN A 26 2.397 3.133 17.304 1.00 0.00 N ATOM 0 H GLN A 26 2.835 4.580 11.453 1.00 0.00 H new ATOM 0 HA GLN A 26 1.907 2.008 12.250 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.561 3.315 13.517 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.390 4.593 13.780 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.035 3.179 15.187 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.964 1.756 14.758 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.390 3.000 17.398 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.968 3.307 18.131 1.00 0.00 H new ATOM 520 N GLY A 35 1.110 -0.040 17.717 1.00 0.00 N ATOM 521 CA GLY A 35 2.417 -0.625 17.474 1.00 0.00 C ATOM 522 C GLY A 35 2.569 -1.193 16.076 1.00 0.00 C ATOM 523 O GLY A 35 3.674 -1.234 15.538 1.00 0.00 O ATOM 0 HA2 GLY A 35 3.183 0.134 17.636 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.594 -1.417 18.202 1.00 0.00 H new ATOM 527 N LEU A 36 1.465 -1.629 15.493 1.00 0.00 N ATOM 528 CA LEU A 36 1.470 -2.209 14.157 1.00 0.00 C ATOM 529 C LEU A 36 1.592 -1.131 13.081 1.00 0.00 C ATOM 530 O LEU A 36 1.118 -0.007 13.257 1.00 0.00 O ATOM 531 CB LEU A 36 0.176 -2.999 13.953 1.00 0.00 C ATOM 532 CG LEU A 36 -0.253 -3.855 15.152 1.00 0.00 C ATOM 533 CD1 LEU A 36 -1.652 -4.406 14.941 1.00 0.00 C ATOM 534 CD2 LEU A 36 0.735 -4.989 15.391 1.00 0.00 C ATOM 0 H LEU A 36 0.543 -1.592 15.928 1.00 0.00 H new ATOM 0 HA LEU A 36 2.334 -2.868 14.068 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.627 -2.300 13.718 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.297 -3.648 13.086 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.261 -3.218 16.037 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.939 -5.010 15.802 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.355 -3.581 14.827 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.668 -5.023 14.043 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.409 -5.581 16.246 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.781 -5.624 14.506 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.723 -4.575 15.592 1.00 0.00 H new ATOM 546 N TRP A 37 2.234 -1.484 11.977 1.00 0.00 N ATOM 547 CA TRP A 37 2.436 -0.564 10.864 1.00 0.00 C ATOM 548 C TRP A 37 1.662 -1.042 9.640 1.00 0.00 C ATOM 549 O TRP A 37 1.492 -2.246 9.437 1.00 0.00 O ATOM 550 CB TRP A 37 3.927 -0.464 10.518 1.00 0.00 C ATOM 551 CG TRP A 37 4.792 -0.053 11.673 1.00 0.00 C ATOM 552 CD1 TRP A 37 5.283 -0.863 12.654 1.00 0.00 C ATOM 553 CD2 TRP A 37 5.275 1.264 11.961 1.00 0.00 C ATOM 554 NE1 TRP A 37 6.036 -0.132 13.538 1.00 0.00 N ATOM 555 CE2 TRP A 37 6.049 1.177 13.133 1.00 0.00 C ATOM 556 CE3 TRP A 37 5.132 2.508 11.343 1.00 0.00 C ATOM 557 CZ2 TRP A 37 6.673 2.287 13.698 1.00 0.00 C ATOM 558 CZ3 TRP A 37 5.751 3.608 11.905 1.00 0.00 C ATOM 559 CH2 TRP A 37 6.515 3.491 13.071 1.00 0.00 C ATOM 0 H TRP A 37 2.629 -2.412 11.826 1.00 0.00 H new ATOM 0 HA TRP A 37 2.071 0.420 11.160 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.269 -1.430 10.146 1.00 0.00 H new ATOM 0 HB3 TRP A 37 4.055 0.254 9.707 1.00 0.00 H new ATOM 0 HD1 TRP A 37 5.105 -1.926 12.725 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.509 -0.503 14.362 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.547 2.609 10.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.261 2.199 14.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.643 4.575 11.436 1.00 0.00 H new ATOM 0 HH2 TRP A 37 6.989 4.369 13.484 1.00 0.00 H new ATOM 570 N GLU A 38 1.194 -0.100 8.836 1.00 0.00 N ATOM 571 CA GLU A 38 0.502 -0.414 7.593 1.00 0.00 C ATOM 572 C GLU A 38 1.030 0.476 6.476 1.00 0.00 C ATOM 573 O GLU A 38 1.705 1.480 6.737 1.00 0.00 O ATOM 574 CB GLU A 38 -1.014 -0.214 7.738 1.00 0.00 C ATOM 575 CG GLU A 38 -1.403 1.194 8.164 1.00 0.00 C ATOM 576 CD GLU A 38 -2.865 1.519 7.911 1.00 0.00 C ATOM 577 OE1 GLU A 38 -3.725 1.123 8.719 1.00 0.00 O ATOM 578 OE2 GLU A 38 -3.155 2.230 6.926 1.00 0.00 O ATOM 0 H GLU A 38 1.282 0.899 9.024 1.00 0.00 H new ATOM 0 HA GLU A 38 0.688 -1.461 7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.495 -0.443 6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.398 -0.925 8.469 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.190 1.316 9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.781 1.912 7.629 1.00 0.00 H new ATOM 585 N PHE A 39 0.741 0.108 5.240 1.00 0.00 N ATOM 586 CA PHE A 39 1.115 0.925 4.099 1.00 0.00 C ATOM 587 C PHE A 39 -0.001 1.910 3.780 1.00 0.00 C ATOM 588 O PHE A 39 -1.181 1.580 3.875 1.00 0.00 O ATOM 589 CB PHE A 39 1.432 0.054 2.879 1.00 0.00 C ATOM 590 CG PHE A 39 2.733 -0.672 2.979 1.00 0.00 C ATOM 591 CD1 PHE A 39 3.030 -1.437 4.090 1.00 0.00 C ATOM 592 CD2 PHE A 39 3.651 -0.597 1.955 1.00 0.00 C ATOM 593 CE1 PHE A 39 4.222 -2.115 4.178 1.00 0.00 C ATOM 594 CE2 PHE A 39 4.846 -1.268 2.035 1.00 0.00 C ATOM 595 CZ PHE A 39 5.137 -2.031 3.149 1.00 0.00 C ATOM 0 H PHE A 39 0.248 -0.752 5.001 1.00 0.00 H new ATOM 0 HA PHE A 39 2.017 1.482 4.352 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.631 -0.672 2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.445 0.683 1.989 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.317 -1.503 4.899 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.428 -0.004 1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.442 -2.712 5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.559 -1.199 1.227 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.077 -2.559 3.214 1.00 0.00 H new ATOM 605 N ALA A 40 0.375 3.125 3.411 1.00 0.00 N ATOM 606 CA ALA A 40 -0.600 4.165 3.123 1.00 0.00 C ATOM 607 C ALA A 40 -1.341 3.863 1.826 1.00 0.00 C ATOM 608 O ALA A 40 -0.801 3.210 0.938 1.00 0.00 O ATOM 609 CB ALA A 40 0.080 5.522 3.046 1.00 0.00 C ATOM 0 H ALA A 40 1.347 3.415 3.304 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.328 4.188 3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.663 6.290 2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.562 5.742 3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.829 5.509 2.254 1.00 0.00 H new ATOM 615 N GLY A 41 -2.571 4.341 1.719 1.00 0.00 N ATOM 616 CA GLY A 41 -3.360 4.082 0.535 1.00 0.00 C ATOM 617 C GLY A 41 -4.839 4.288 0.782 1.00 0.00 C ATOM 618 O GLY A 41 -5.225 5.157 1.566 1.00 0.00 O ATOM 0 H GLY A 41 -3.036 4.904 2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.032 4.740 -0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.187 3.059 0.201 1.00 0.00 H new ATOM 622 N GLY A 42 -5.661 3.479 0.132 1.00 0.00 N ATOM 623 CA GLY A 42 -7.098 3.617 0.267 1.00 0.00 C ATOM 624 C GLY A 42 -7.853 2.829 -0.780 1.00 0.00 C ATOM 625 O GLY A 42 -7.248 2.189 -1.641 1.00 0.00 O ATOM 0 H GLY A 42 -5.359 2.727 -0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.401 3.282 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.368 4.670 0.190 1.00 0.00 H new ATOM 629 N LYS A 43 -9.175 2.861 -0.701 1.00 0.00 N ATOM 630 CA LYS A 43 -10.011 2.150 -1.659 1.00 0.00 C ATOM 631 C LYS A 43 -10.102 2.921 -2.976 1.00 0.00 C ATOM 632 O LYS A 43 -9.957 4.140 -3.006 1.00 0.00 O ATOM 633 CB LYS A 43 -11.420 1.926 -1.089 1.00 0.00 C ATOM 634 CG LYS A 43 -12.336 1.167 -2.035 1.00 0.00 C ATOM 635 CD LYS A 43 -13.793 1.286 -1.636 1.00 0.00 C ATOM 636 CE LYS A 43 -14.697 0.695 -2.705 1.00 0.00 C ATOM 637 NZ LYS A 43 -16.133 0.940 -2.417 1.00 0.00 N ATOM 0 H LYS A 43 -9.692 3.371 0.015 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.550 1.181 -1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.342 1.377 -0.151 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.868 2.892 -0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.206 1.548 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.050 0.115 -2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.958 0.772 -0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.047 2.334 -1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.443 1.126 -3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.520 -0.378 -2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.715 0.521 -3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.383 0.507 -1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.309 1.964 -2.374 1.00 0.00 H new ATOM 651 N VAL A 44 -10.344 2.194 -4.056 1.00 0.00 N ATOM 652 CA VAL A 44 -10.523 2.793 -5.363 1.00 0.00 C ATOM 653 C VAL A 44 -11.976 2.677 -5.787 1.00 0.00 C ATOM 654 O VAL A 44 -12.548 1.584 -5.762 1.00 0.00 O ATOM 655 CB VAL A 44 -9.655 2.102 -6.435 1.00 0.00 C ATOM 656 CG1 VAL A 44 -9.800 2.797 -7.780 1.00 0.00 C ATOM 657 CG2 VAL A 44 -8.203 2.062 -6.009 1.00 0.00 C ATOM 0 H VAL A 44 -10.421 1.177 -4.048 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.221 3.837 -5.283 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.007 1.076 -6.542 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.179 2.292 -8.519 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.842 2.762 -8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.483 3.836 -7.689 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.611 1.570 -6.781 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.838 3.079 -5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.113 1.508 -5.075 1.00 0.00 H new ATOM 667 N GLU A 45 -12.578 3.791 -6.151 1.00 0.00 N ATOM 668 CA GLU A 45 -13.882 3.759 -6.776 1.00 0.00 C ATOM 669 C GLU A 45 -13.654 3.574 -8.270 1.00 0.00 C ATOM 670 O GLU A 45 -12.860 4.300 -8.855 1.00 0.00 O ATOM 671 CB GLU A 45 -14.640 5.059 -6.495 1.00 0.00 C ATOM 672 CG GLU A 45 -16.130 4.986 -6.786 1.00 0.00 C ATOM 673 CD GLU A 45 -16.868 4.071 -5.827 1.00 0.00 C ATOM 674 OE1 GLU A 45 -17.032 4.448 -4.648 1.00 0.00 O ATOM 675 OE2 GLU A 45 -17.290 2.974 -6.250 1.00 0.00 O ATOM 0 H GLU A 45 -12.187 4.725 -6.025 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.487 2.944 -6.379 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.498 5.330 -5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.203 5.858 -7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.557 5.987 -6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.280 4.634 -7.807 1.00 0.00 H new ATOM 682 N PRO A 46 -14.303 2.583 -8.904 1.00 0.00 N ATOM 683 CA PRO A 46 -14.075 2.250 -10.323 1.00 0.00 C ATOM 684 C PRO A 46 -14.189 3.450 -11.273 1.00 0.00 C ATOM 685 O PRO A 46 -13.751 3.382 -12.423 1.00 0.00 O ATOM 686 CB PRO A 46 -15.158 1.206 -10.640 1.00 0.00 C ATOM 687 CG PRO A 46 -16.086 1.208 -9.470 1.00 0.00 C ATOM 688 CD PRO A 46 -15.285 1.681 -8.292 1.00 0.00 C ATOM 0 HA PRO A 46 -13.056 1.892 -10.472 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.687 1.459 -11.558 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.718 0.220 -10.787 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.936 1.866 -9.650 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.487 0.210 -9.291 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -15.908 2.197 -7.561 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -14.804 0.853 -7.772 1.00 0.00 H new ATOM 696 N ASP A 47 -14.774 4.542 -10.795 1.00 0.00 N ATOM 697 CA ASP A 47 -14.919 5.749 -11.605 1.00 0.00 C ATOM 698 C ASP A 47 -13.617 6.539 -11.654 1.00 0.00 C ATOM 699 O ASP A 47 -13.387 7.323 -12.575 1.00 0.00 O ATOM 700 CB ASP A 47 -16.046 6.631 -11.069 1.00 0.00 C ATOM 701 CG ASP A 47 -17.367 5.896 -10.995 1.00 0.00 C ATOM 702 OD1 ASP A 47 -17.933 5.567 -12.057 1.00 0.00 O ATOM 703 OD2 ASP A 47 -17.833 5.618 -9.870 1.00 0.00 O ATOM 0 H ASP A 47 -15.156 4.618 -9.852 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.170 5.436 -12.619 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.779 6.994 -10.077 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.155 7.506 -11.710 1.00 0.00 H new ATOM 708 N GLU A 48 -12.773 6.313 -10.668 1.00 0.00 N ATOM 709 CA GLU A 48 -11.462 6.945 -10.611 1.00 0.00 C ATOM 710 C GLU A 48 -10.399 5.903 -10.901 1.00 0.00 C ATOM 711 O GLU A 48 -10.671 4.700 -10.858 1.00 0.00 O ATOM 712 CB GLU A 48 -11.224 7.614 -9.245 1.00 0.00 C ATOM 713 CG GLU A 48 -11.145 6.653 -8.073 1.00 0.00 C ATOM 714 CD GLU A 48 -11.203 7.367 -6.741 1.00 0.00 C ATOM 715 OE1 GLU A 48 -10.267 8.128 -6.419 1.00 0.00 O ATOM 716 OE2 GLU A 48 -12.201 7.185 -6.016 1.00 0.00 O ATOM 0 H GLU A 48 -12.971 5.690 -9.885 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.411 7.732 -11.364 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.297 8.185 -9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.028 8.326 -9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.966 5.938 -8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.219 6.081 -8.136 1.00 0.00 H new ATOM 723 N SER A 49 -9.196 6.344 -11.211 1.00 0.00 N ATOM 724 CA SER A 49 -8.136 5.427 -11.560 1.00 0.00 C ATOM 725 C SER A 49 -7.413 4.958 -10.303 1.00 0.00 C ATOM 726 O SER A 49 -7.397 5.660 -9.292 1.00 0.00 O ATOM 727 CB SER A 49 -7.165 6.114 -12.515 1.00 0.00 C ATOM 728 OG SER A 49 -7.844 6.618 -13.655 1.00 0.00 O ATOM 0 H SER A 49 -8.931 7.329 -11.228 1.00 0.00 H new ATOM 0 HA SER A 49 -8.560 4.553 -12.055 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.658 6.929 -11.999 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.396 5.408 -12.828 1.00 0.00 H new ATOM 0 HG SER A 49 -7.201 7.055 -14.252 1.00 0.00 H new ATOM 734 N GLN A 50 -6.810 3.778 -10.372 1.00 0.00 N ATOM 735 CA GLN A 50 -6.123 3.198 -9.224 1.00 0.00 C ATOM 736 C GLN A 50 -4.968 4.082 -8.765 1.00 0.00 C ATOM 737 O GLN A 50 -4.767 4.281 -7.567 1.00 0.00 O ATOM 738 CB GLN A 50 -5.623 1.797 -9.568 1.00 0.00 C ATOM 739 CG GLN A 50 -6.752 0.823 -9.882 1.00 0.00 C ATOM 740 CD GLN A 50 -6.259 -0.566 -10.240 1.00 0.00 C ATOM 741 OE1 GLN A 50 -5.205 -1.004 -9.779 1.00 0.00 O ATOM 742 NE2 GLN A 50 -7.025 -1.276 -11.053 1.00 0.00 N ATOM 0 H GLN A 50 -6.783 3.202 -11.213 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.833 3.129 -8.400 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.953 1.857 -10.426 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.039 1.410 -8.733 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.415 0.755 -9.020 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.343 1.216 -10.709 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.892 -0.878 -11.414 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.749 -2.221 -11.318 1.00 0.00 H new ATOM 751 N ARG A 51 -4.224 4.632 -9.718 1.00 0.00 N ATOM 752 CA ARG A 51 -3.139 5.551 -9.396 1.00 0.00 C ATOM 753 C ARG A 51 -3.699 6.859 -8.861 1.00 0.00 C ATOM 754 O ARG A 51 -3.107 7.489 -7.988 1.00 0.00 O ATOM 755 CB ARG A 51 -2.283 5.862 -10.620 1.00 0.00 C ATOM 756 CG ARG A 51 -1.702 4.646 -11.320 1.00 0.00 C ATOM 757 CD ARG A 51 -0.795 5.078 -12.460 1.00 0.00 C ATOM 758 NE ARG A 51 -0.220 3.952 -13.192 1.00 0.00 N ATOM 759 CZ ARG A 51 0.869 4.056 -13.956 1.00 0.00 C ATOM 760 NH1 ARG A 51 1.512 5.216 -14.044 1.00 0.00 N ATOM 761 NH2 ARG A 51 1.324 3.005 -14.624 1.00 0.00 N ATOM 0 H ARG A 51 -4.351 4.459 -10.715 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.520 5.064 -8.643 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.887 6.421 -11.335 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.464 6.514 -10.316 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.140 4.042 -10.608 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.507 4.020 -11.704 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.362 5.702 -13.151 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.011 5.695 -12.062 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.673 3.042 -13.115 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.173 6.027 -13.527 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.344 5.295 -14.628 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.841 2.109 -14.556 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.157 3.092 -15.206 1.00 0.00 H new ATOM 775 N GLN A 52 -4.861 7.244 -9.372 1.00 0.00 N ATOM 776 CA GLN A 52 -5.458 8.524 -9.029 1.00 0.00 C ATOM 777 C GLN A 52 -5.984 8.472 -7.604 1.00 0.00 C ATOM 778 O GLN A 52 -5.831 9.424 -6.838 1.00 0.00 O ATOM 779 CB GLN A 52 -6.595 8.860 -9.995 1.00 0.00 C ATOM 780 CG GLN A 52 -7.177 10.248 -9.789 1.00 0.00 C ATOM 781 CD GLN A 52 -6.213 11.350 -10.189 1.00 0.00 C ATOM 782 OE1 GLN A 52 -5.410 11.821 -9.383 1.00 0.00 O ATOM 783 NE2 GLN A 52 -6.288 11.776 -11.439 1.00 0.00 N ATOM 0 H GLN A 52 -5.408 6.685 -10.027 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.698 9.302 -9.107 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.228 8.777 -11.018 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.388 8.122 -9.880 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.094 10.344 -10.371 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.450 10.372 -8.741 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.966 11.362 -12.079 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.668 12.518 -11.763 1.00 0.00 H new ATOM 792 N ALA A 53 -6.590 7.342 -7.259 1.00 0.00 N ATOM 793 CA ALA A 53 -7.092 7.122 -5.918 1.00 0.00 C ATOM 794 C ALA A 53 -5.957 7.214 -4.903 1.00 0.00 C ATOM 795 O ALA A 53 -6.100 7.849 -3.862 1.00 0.00 O ATOM 796 CB ALA A 53 -7.799 5.777 -5.829 1.00 0.00 C ATOM 0 H ALA A 53 -6.744 6.562 -7.898 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.818 7.901 -5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.170 5.627 -4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.635 5.759 -6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.099 4.980 -6.080 1.00 0.00 H new ATOM 802 N LEU A 54 -4.820 6.600 -5.222 1.00 0.00 N ATOM 803 CA LEU A 54 -3.635 6.716 -4.377 1.00 0.00 C ATOM 804 C LEU A 54 -3.206 8.167 -4.246 1.00 0.00 C ATOM 805 O LEU A 54 -2.905 8.641 -3.155 1.00 0.00 O ATOM 806 CB LEU A 54 -2.473 5.898 -4.939 1.00 0.00 C ATOM 807 CG LEU A 54 -2.477 4.423 -4.564 1.00 0.00 C ATOM 808 CD1 LEU A 54 -1.275 3.715 -5.166 1.00 0.00 C ATOM 809 CD2 LEU A 54 -2.486 4.273 -3.052 1.00 0.00 C ATOM 0 H LEU A 54 -4.695 6.022 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.899 6.327 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.484 5.980 -6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.538 6.341 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.378 3.960 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.296 2.662 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.307 3.803 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.359 4.172 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.489 3.215 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.598 4.747 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.378 4.749 -2.644 1.00 0.00 H new ATOM 821 N VAL A 55 -3.212 8.869 -5.366 1.00 0.00 N ATOM 822 CA VAL A 55 -2.771 10.254 -5.399 1.00 0.00 C ATOM 823 C VAL A 55 -3.626 11.129 -4.483 1.00 0.00 C ATOM 824 O VAL A 55 -3.099 11.964 -3.743 1.00 0.00 O ATOM 825 CB VAL A 55 -2.776 10.817 -6.840 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.670 12.334 -6.840 1.00 0.00 C ATOM 827 CG2 VAL A 55 -1.636 10.210 -7.644 1.00 0.00 C ATOM 0 H VAL A 55 -3.518 8.502 -6.267 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.745 10.273 -5.032 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.724 10.546 -7.305 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.676 12.699 -7.867 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.516 12.758 -6.299 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.742 12.634 -6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.650 10.614 -8.656 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.686 10.454 -7.169 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.755 9.127 -7.683 1.00 0.00 H new ATOM 837 N ARG A 56 -4.939 10.920 -4.497 1.00 0.00 N ATOM 838 CA ARG A 56 -5.820 11.715 -3.656 1.00 0.00 C ATOM 839 C ARG A 56 -5.742 11.266 -2.199 1.00 0.00 C ATOM 840 O ARG A 56 -5.672 12.099 -1.299 1.00 0.00 O ATOM 841 CB ARG A 56 -7.269 11.704 -4.183 1.00 0.00 C ATOM 842 CG ARG A 56 -7.877 10.326 -4.434 1.00 0.00 C ATOM 843 CD ARG A 56 -8.801 9.888 -3.307 1.00 0.00 C ATOM 844 NE ARG A 56 -9.785 8.894 -3.755 1.00 0.00 N ATOM 845 CZ ARG A 56 -10.657 8.286 -2.948 1.00 0.00 C ATOM 846 NH1 ARG A 56 -10.592 8.462 -1.637 1.00 0.00 N ATOM 847 NH2 ARG A 56 -11.581 7.478 -3.447 1.00 0.00 N ATOM 0 H ARG A 56 -5.408 10.219 -5.071 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.475 12.748 -3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.899 12.233 -3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.301 12.269 -5.115 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.433 10.342 -5.371 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.077 9.594 -4.550 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.208 9.469 -2.494 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.321 10.758 -2.907 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.803 8.653 -4.746 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.872 9.065 -1.238 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.262 7.994 -1.026 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.629 7.318 -4.453 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.245 7.016 -2.825 1.00 0.00 H new ATOM 861 N GLU A 57 -5.728 9.956 -1.968 1.00 0.00 N ATOM 862 CA GLU A 57 -5.638 9.425 -0.608 1.00 0.00 C ATOM 863 C GLU A 57 -4.361 9.871 0.093 1.00 0.00 C ATOM 864 O GLU A 57 -4.399 10.284 1.252 1.00 0.00 O ATOM 865 CB GLU A 57 -5.734 7.899 -0.603 1.00 0.00 C ATOM 866 CG GLU A 57 -7.128 7.377 -0.916 1.00 0.00 C ATOM 867 CD GLU A 57 -8.167 7.844 0.086 1.00 0.00 C ATOM 868 OE1 GLU A 57 -8.575 9.027 0.020 1.00 0.00 O ATOM 869 OE2 GLU A 57 -8.603 7.030 0.925 1.00 0.00 O ATOM 0 H GLU A 57 -5.777 9.246 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.485 9.831 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.032 7.496 -1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.426 7.527 0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.419 7.705 -1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.108 6.287 -0.932 1.00 0.00 H new ATOM 876 N LEU A 58 -3.231 9.809 -0.602 1.00 0.00 N ATOM 877 CA LEU A 58 -1.969 10.210 0.006 1.00 0.00 C ATOM 878 C LEU A 58 -1.953 11.708 0.254 1.00 0.00 C ATOM 879 O LEU A 58 -1.331 12.169 1.197 1.00 0.00 O ATOM 880 CB LEU A 58 -0.764 9.836 -0.855 1.00 0.00 C ATOM 881 CG LEU A 58 -0.699 8.381 -1.309 1.00 0.00 C ATOM 882 CD1 LEU A 58 0.599 8.111 -2.049 1.00 0.00 C ATOM 883 CD2 LEU A 58 -0.853 7.436 -0.127 1.00 0.00 C ATOM 0 H LEU A 58 -3.162 9.491 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.892 9.671 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.761 10.473 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.143 10.063 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.528 8.201 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.627 7.068 -2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.660 8.757 -2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.443 8.313 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.803 6.405 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.051 7.615 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.815 7.610 0.355 1.00 0.00 H new ATOM 895 N ARG A 59 -2.620 12.470 -0.602 1.00 0.00 N ATOM 896 CA ARG A 59 -2.696 13.911 -0.420 1.00 0.00 C ATOM 897 C ARG A 59 -3.427 14.249 0.871 1.00 0.00 C ATOM 898 O ARG A 59 -3.118 15.230 1.543 1.00 0.00 O ATOM 899 CB ARG A 59 -3.394 14.566 -1.615 1.00 0.00 C ATOM 900 CG ARG A 59 -3.702 16.036 -1.397 1.00 0.00 C ATOM 901 CD ARG A 59 -4.122 16.725 -2.680 1.00 0.00 C ATOM 902 NE ARG A 59 -4.310 18.159 -2.475 1.00 0.00 N ATOM 903 CZ ARG A 59 -4.049 19.085 -3.393 1.00 0.00 C ATOM 904 NH1 ARG A 59 -3.585 18.733 -4.585 1.00 0.00 N ATOM 905 NH2 ARG A 59 -4.258 20.368 -3.119 1.00 0.00 N ATOM 0 H ARG A 59 -3.112 12.117 -1.423 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.681 14.302 -0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.763 14.461 -2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.323 14.034 -1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.496 16.134 -0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.822 16.534 -0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.366 16.561 -3.448 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.049 16.283 -3.046 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.664 18.470 -1.570 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.427 17.749 -4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.386 19.447 -5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.618 20.642 -2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.058 21.079 -3.823 1.00 0.00 H new ATOM 919 N GLU A 60 -4.393 13.427 1.206 1.00 0.00 N ATOM 920 CA GLU A 60 -5.223 13.665 2.365 1.00 0.00 C ATOM 921 C GLU A 60 -4.635 13.042 3.627 1.00 0.00 C ATOM 922 O GLU A 60 -4.703 13.631 4.706 1.00 0.00 O ATOM 923 CB GLU A 60 -6.616 13.137 2.069 1.00 0.00 C ATOM 924 CG GLU A 60 -7.184 13.734 0.795 1.00 0.00 C ATOM 925 CD GLU A 60 -7.773 15.113 1.008 1.00 0.00 C ATOM 926 OE1 GLU A 60 -8.917 15.206 1.498 1.00 0.00 O ATOM 927 OE2 GLU A 60 -7.094 16.111 0.690 1.00 0.00 O ATOM 0 H GLU A 60 -4.626 12.580 0.688 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.273 14.736 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.582 12.051 1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.277 13.366 2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.397 13.792 0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.954 13.071 0.400 1.00 0.00 H new ATOM 934 N GLU A 61 -4.054 11.856 3.494 1.00 0.00 N ATOM 935 CA GLU A 61 -3.449 11.184 4.637 1.00 0.00 C ATOM 936 C GLU A 61 -2.022 11.639 4.860 1.00 0.00 C ATOM 937 O GLU A 61 -1.655 12.022 5.971 1.00 0.00 O ATOM 938 CB GLU A 61 -3.473 9.663 4.476 1.00 0.00 C ATOM 939 CG GLU A 61 -4.819 9.063 4.750 1.00 0.00 C ATOM 940 CD GLU A 61 -5.153 9.219 6.210 1.00 0.00 C ATOM 941 OE1 GLU A 61 -4.310 8.817 7.052 1.00 0.00 O ATOM 942 OE2 GLU A 61 -6.224 9.769 6.528 1.00 0.00 O ATOM 0 H GLU A 61 -3.989 11.344 2.614 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.048 11.457 5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.167 9.406 3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.741 9.221 5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.578 9.552 4.139 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.821 8.008 4.477 1.00 0.00 H new ATOM 949 N LEU A 62 -1.215 11.602 3.809 1.00 0.00 N ATOM 950 CA LEU A 62 0.192 11.908 3.948 1.00 0.00 C ATOM 951 C LEU A 62 0.459 13.372 3.633 1.00 0.00 C ATOM 952 O LEU A 62 1.486 13.913 4.019 1.00 0.00 O ATOM 953 CB LEU A 62 1.017 11.014 3.023 1.00 0.00 C ATOM 954 CG LEU A 62 0.756 9.512 3.164 1.00 0.00 C ATOM 955 CD1 LEU A 62 1.632 8.733 2.198 1.00 0.00 C ATOM 956 CD2 LEU A 62 1.001 9.055 4.597 1.00 0.00 C ATOM 0 H LEU A 62 -1.511 11.365 2.862 1.00 0.00 H new ATOM 0 HA LEU A 62 0.485 11.719 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.820 11.305 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.074 11.202 3.211 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.288 9.318 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.436 7.666 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.408 9.039 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.681 8.934 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.810 7.985 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.036 9.260 4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.333 9.593 5.270 1.00 0.00 H new ATOM 968 N GLY A 63 -0.453 14.007 2.909 1.00 0.00 N ATOM 969 CA GLY A 63 -0.317 15.422 2.645 1.00 0.00 C ATOM 970 C GLY A 63 0.661 15.676 1.517 1.00 0.00 C ATOM 971 O GLY A 63 1.255 16.750 1.427 1.00 0.00 O ATOM 0 H GLY A 63 -1.280 13.569 2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.290 15.842 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.023 15.932 3.546 1.00 0.00 H new ATOM 975 N ILE A 64 0.826 14.680 0.654 1.00 0.00 N ATOM 976 CA ILE A 64 1.792 14.769 -0.428 1.00 0.00 C ATOM 977 C ILE A 64 1.144 14.525 -1.782 1.00 0.00 C ATOM 978 O ILE A 64 0.197 13.745 -1.910 1.00 0.00 O ATOM 979 CB ILE A 64 2.968 13.777 -0.249 1.00 0.00 C ATOM 980 CG1 ILE A 64 2.472 12.324 -0.170 1.00 0.00 C ATOM 981 CG2 ILE A 64 3.781 14.133 0.984 1.00 0.00 C ATOM 982 CD1 ILE A 64 3.590 11.310 -0.008 1.00 0.00 C ATOM 0 H ILE A 64 0.303 13.805 0.684 1.00 0.00 H new ATOM 0 HA ILE A 64 2.183 15.786 -0.392 1.00 0.00 H new ATOM 0 HB ILE A 64 3.610 13.860 -1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.782 12.229 0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.909 12.091 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.603 13.426 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.181 15.141 0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.143 14.088 1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.167 10.307 0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.268 11.377 -0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.139 11.517 0.911 1.00 0.00 H new ATOM 994 N GLU A 65 1.661 15.213 -2.784 1.00 0.00 N ATOM 995 CA GLU A 65 1.248 15.017 -4.160 1.00 0.00 C ATOM 996 C GLU A 65 2.127 13.953 -4.796 1.00 0.00 C ATOM 997 O GLU A 65 3.256 14.225 -5.202 1.00 0.00 O ATOM 998 CB GLU A 65 1.352 16.334 -4.932 1.00 0.00 C ATOM 999 CG GLU A 65 0.386 17.394 -4.434 1.00 0.00 C ATOM 1000 CD GLU A 65 0.464 18.678 -5.233 1.00 0.00 C ATOM 1001 OE1 GLU A 65 -0.215 18.777 -6.276 1.00 0.00 O ATOM 1002 OE2 GLU A 65 1.202 19.597 -4.823 1.00 0.00 O ATOM 0 H GLU A 65 2.381 15.925 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 65 0.209 14.687 -4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.371 16.714 -4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.162 16.145 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.631 17.004 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.598 17.609 -3.387 1.00 0.00 H new ATOM 1009 N ALA A 66 1.619 12.736 -4.846 1.00 0.00 N ATOM 1010 CA ALA A 66 2.421 11.599 -5.261 1.00 0.00 C ATOM 1011 C ALA A 66 2.368 11.377 -6.766 1.00 0.00 C ATOM 1012 O ALA A 66 1.383 11.713 -7.429 1.00 0.00 O ATOM 1013 CB ALA A 66 1.968 10.348 -4.528 1.00 0.00 C ATOM 0 H ALA A 66 0.654 12.509 -4.604 1.00 0.00 H new ATOM 0 HA ALA A 66 3.457 11.817 -5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.575 9.500 -4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.082 10.494 -3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.921 10.151 -4.758 1.00 0.00 H new ATOM 1019 N THR A 67 3.442 10.815 -7.288 1.00 0.00 N ATOM 1020 CA THR A 67 3.511 10.407 -8.675 1.00 0.00 C ATOM 1021 C THR A 67 3.570 8.885 -8.739 1.00 0.00 C ATOM 1022 O THR A 67 4.607 8.283 -8.451 1.00 0.00 O ATOM 1023 CB THR A 67 4.748 11.007 -9.377 1.00 0.00 C ATOM 1024 OG1 THR A 67 4.779 12.430 -9.186 1.00 0.00 O ATOM 1025 CG2 THR A 67 4.732 10.696 -10.867 1.00 0.00 C ATOM 0 H THR A 67 4.293 10.629 -6.758 1.00 0.00 H new ATOM 0 HA THR A 67 2.624 10.774 -9.192 1.00 0.00 H new ATOM 0 HB THR A 67 5.638 10.559 -8.936 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.710 12.733 -9.134 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.614 11.130 -11.339 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.736 9.616 -11.013 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.834 11.120 -11.317 1.00 0.00 H new ATOM 1033 N VAL A 68 2.450 8.266 -9.088 1.00 0.00 N ATOM 1034 CA VAL A 68 2.348 6.811 -9.083 1.00 0.00 C ATOM 1035 C VAL A 68 2.812 6.237 -10.418 1.00 0.00 C ATOM 1036 O VAL A 68 2.329 6.648 -11.476 1.00 0.00 O ATOM 1037 CB VAL A 68 0.902 6.361 -8.794 1.00 0.00 C ATOM 1038 CG1 VAL A 68 0.826 4.853 -8.653 1.00 0.00 C ATOM 1039 CG2 VAL A 68 0.376 7.040 -7.542 1.00 0.00 C ATOM 0 H VAL A 68 1.599 8.748 -9.378 1.00 0.00 H new ATOM 0 HA VAL A 68 2.994 6.433 -8.291 1.00 0.00 H new ATOM 0 HB VAL A 68 0.277 6.656 -9.637 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.203 4.558 -8.449 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.162 4.384 -9.578 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.465 4.532 -7.830 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.646 6.712 -7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.006 6.776 -6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.390 8.121 -7.681 1.00 0.00 H new ATOM 1049 N GLY A 69 3.739 5.280 -10.368 1.00 0.00 N ATOM 1050 CA GLY A 69 4.357 4.785 -11.584 1.00 0.00 C ATOM 1051 C GLY A 69 4.254 3.277 -11.759 1.00 0.00 C ATOM 1052 O GLY A 69 3.296 2.771 -12.343 1.00 0.00 O ATOM 0 H GLY A 69 4.070 4.842 -9.509 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.892 5.273 -12.441 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.409 5.070 -11.587 1.00 0.00 H new ATOM 1056 N GLU A 70 5.242 2.562 -11.242 1.00 0.00 N ATOM 1057 CA GLU A 70 5.397 1.136 -11.525 1.00 0.00 C ATOM 1058 C GLU A 70 4.682 0.249 -10.506 1.00 0.00 C ATOM 1059 O GLU A 70 4.780 0.451 -9.293 1.00 0.00 O ATOM 1060 CB GLU A 70 6.882 0.783 -11.609 1.00 0.00 C ATOM 1061 CG GLU A 70 7.725 1.437 -10.529 1.00 0.00 C ATOM 1062 CD GLU A 70 9.202 1.227 -10.740 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.766 1.841 -11.670 1.00 0.00 O ATOM 1064 OE2 GLU A 70 9.806 0.474 -9.954 1.00 0.00 O ATOM 0 H GLU A 70 5.954 2.945 -10.620 1.00 0.00 H new ATOM 0 HA GLU A 70 4.922 0.940 -12.486 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.994 -0.299 -11.540 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.263 1.081 -12.586 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.513 2.506 -10.506 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.440 1.034 -9.557 1.00 0.00 H new ATOM 1071 N TYR A 71 3.962 -0.735 -11.029 1.00 0.00 N ATOM 1072 CA TYR A 71 3.115 -1.618 -10.235 1.00 0.00 C ATOM 1073 C TYR A 71 3.904 -2.822 -9.708 1.00 0.00 C ATOM 1074 O TYR A 71 4.650 -3.455 -10.455 1.00 0.00 O ATOM 1075 CB TYR A 71 1.950 -2.067 -11.122 1.00 0.00 C ATOM 1076 CG TYR A 71 0.911 -2.926 -10.445 1.00 0.00 C ATOM 1077 CD1 TYR A 71 0.350 -2.558 -9.232 1.00 0.00 C ATOM 1078 CD2 TYR A 71 0.475 -4.099 -11.045 1.00 0.00 C ATOM 1079 CE1 TYR A 71 -0.614 -3.341 -8.632 1.00 0.00 C ATOM 1080 CE2 TYR A 71 -0.492 -4.881 -10.455 1.00 0.00 C ATOM 1081 CZ TYR A 71 -1.033 -4.499 -9.251 1.00 0.00 C ATOM 1082 OH TYR A 71 -2.002 -5.276 -8.668 1.00 0.00 O ATOM 0 H TYR A 71 3.949 -0.945 -12.027 1.00 0.00 H new ATOM 0 HA TYR A 71 2.739 -1.087 -9.360 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.458 -1.180 -11.522 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.354 -2.618 -11.971 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.672 -1.646 -8.751 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.901 -4.403 -11.990 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.038 -3.048 -7.683 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.824 -5.790 -10.936 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.103 -6.109 -9.175 1.00 0.00 H new ATOM 1092 N VAL A 72 3.743 -3.127 -8.419 1.00 0.00 N ATOM 1093 CA VAL A 72 4.494 -4.213 -7.793 1.00 0.00 C ATOM 1094 C VAL A 72 3.716 -5.527 -7.798 1.00 0.00 C ATOM 1095 O VAL A 72 4.061 -6.457 -8.530 1.00 0.00 O ATOM 1096 CB VAL A 72 4.851 -3.867 -6.334 1.00 0.00 C ATOM 1097 CG1 VAL A 72 5.639 -4.997 -5.680 1.00 0.00 C ATOM 1098 CG2 VAL A 72 5.617 -2.560 -6.268 1.00 0.00 C ATOM 0 H VAL A 72 3.103 -2.639 -7.792 1.00 0.00 H new ATOM 0 HA VAL A 72 5.402 -4.336 -8.383 1.00 0.00 H new ATOM 0 HB VAL A 72 3.922 -3.745 -5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.878 -4.726 -4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.041 -5.908 -5.686 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.562 -5.165 -6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.860 -2.333 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.537 -2.648 -6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.005 -1.758 -6.681 1.00 0.00 H new ATOM 1108 N ALA A 73 2.662 -5.602 -6.989 1.00 0.00 N ATOM 1109 CA ALA A 73 1.882 -6.833 -6.884 1.00 0.00 C ATOM 1110 C ALA A 73 0.511 -6.579 -6.278 1.00 0.00 C ATOM 1111 O ALA A 73 0.182 -5.451 -5.912 1.00 0.00 O ATOM 1112 CB ALA A 73 2.632 -7.862 -6.049 1.00 0.00 C ATOM 0 H ALA A 73 2.331 -4.835 -6.403 1.00 0.00 H new ATOM 0 HA ALA A 73 1.738 -7.218 -7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.040 -8.775 -5.978 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.589 -8.086 -6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.805 -7.463 -5.049 1.00 0.00 H new ATOM 1118 N SER A 74 -0.284 -7.635 -6.168 1.00 0.00 N ATOM 1119 CA SER A 74 -1.603 -7.538 -5.574 1.00 0.00 C ATOM 1120 C SER A 74 -1.888 -8.754 -4.699 1.00 0.00 C ATOM 1121 O SER A 74 -1.357 -9.841 -4.937 1.00 0.00 O ATOM 1122 CB SER A 74 -2.674 -7.413 -6.662 1.00 0.00 C ATOM 1123 OG SER A 74 -3.934 -7.072 -6.107 1.00 0.00 O ATOM 0 H SER A 74 -0.033 -8.571 -6.485 1.00 0.00 H new ATOM 0 HA SER A 74 -1.630 -6.644 -4.950 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.375 -6.654 -7.384 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.756 -8.355 -7.205 1.00 0.00 H new ATOM 0 HG SER A 74 -3.824 -6.846 -5.160 1.00 0.00 H new ATOM 1129 N HIS A 75 -2.724 -8.564 -3.687 1.00 0.00 N ATOM 1130 CA HIS A 75 -3.133 -9.649 -2.808 1.00 0.00 C ATOM 1131 C HIS A 75 -4.648 -9.647 -2.674 1.00 0.00 C ATOM 1132 O HIS A 75 -5.260 -8.586 -2.539 1.00 0.00 O ATOM 1133 CB HIS A 75 -2.484 -9.510 -1.425 1.00 0.00 C ATOM 1134 CG HIS A 75 -2.885 -10.586 -0.453 1.00 0.00 C ATOM 1135 ND1 HIS A 75 -2.435 -11.887 -0.536 1.00 0.00 N ATOM 1136 CD2 HIS A 75 -3.705 -10.547 0.626 1.00 0.00 C ATOM 1137 CE1 HIS A 75 -2.961 -12.599 0.445 1.00 0.00 C ATOM 1138 NE2 HIS A 75 -3.733 -11.808 1.164 1.00 0.00 N ATOM 0 H HIS A 75 -3.135 -7.660 -3.454 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.804 -10.593 -3.243 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.400 -9.523 -1.540 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.748 -8.539 -1.006 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -4.238 -9.683 0.994 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.788 -13.649 0.627 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -4.265 -12.089 1.988 1.00 0.00 H new ATOM 1147 N GLN A 76 -5.245 -10.824 -2.713 1.00 0.00 N ATOM 1148 CA GLN A 76 -6.683 -10.943 -2.561 1.00 0.00 C ATOM 1149 C GLN A 76 -7.049 -11.482 -1.191 1.00 0.00 C ATOM 1150 O GLN A 76 -6.376 -12.357 -0.649 1.00 0.00 O ATOM 1151 CB GLN A 76 -7.276 -11.826 -3.656 1.00 0.00 C ATOM 1152 CG GLN A 76 -7.435 -11.104 -4.979 1.00 0.00 C ATOM 1153 CD GLN A 76 -8.042 -11.977 -6.059 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -9.262 -12.041 -6.209 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -7.198 -12.647 -6.826 1.00 0.00 N ATOM 0 H GLN A 76 -4.757 -11.710 -2.848 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.107 -9.943 -2.656 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.636 -12.697 -3.799 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.249 -12.195 -3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.063 -10.225 -4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.460 -10.748 -5.312 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.193 -12.567 -6.670 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.552 -13.243 -7.574 1.00 0.00 H new ATOM 1164 N ARG A 77 -8.105 -10.922 -0.636 1.00 0.00 N ATOM 1165 CA ARG A 77 -8.648 -11.347 0.643 1.00 0.00 C ATOM 1166 C ARG A 77 -10.110 -10.945 0.670 1.00 0.00 C ATOM 1167 O ARG A 77 -10.570 -10.306 -0.264 1.00 0.00 O ATOM 1168 CB ARG A 77 -7.895 -10.701 1.810 1.00 0.00 C ATOM 1169 CG ARG A 77 -8.059 -9.195 1.888 1.00 0.00 C ATOM 1170 CD ARG A 77 -7.312 -8.621 3.079 1.00 0.00 C ATOM 1171 NE ARG A 77 -7.457 -7.167 3.177 1.00 0.00 N ATOM 1172 CZ ARG A 77 -7.606 -6.509 4.330 1.00 0.00 C ATOM 1173 NH1 ARG A 77 -7.731 -7.174 5.473 1.00 0.00 N ATOM 1174 NH2 ARG A 77 -7.660 -5.181 4.340 1.00 0.00 N ATOM 0 H ARG A 77 -8.617 -10.150 -1.063 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.539 -12.426 0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.243 -11.143 2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.835 -10.937 1.721 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.690 -8.739 0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.117 -8.946 1.965 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.682 -9.083 3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.255 -8.874 2.998 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.443 -6.624 2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.714 -8.194 5.474 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.844 -6.665 6.350 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.588 -4.661 3.465 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.774 -4.682 5.222 1.00 0.00 H new ATOM 1188 N GLU A 78 -10.847 -11.313 1.698 1.00 0.00 N ATOM 1189 CA GLU A 78 -12.242 -10.916 1.760 1.00 0.00 C ATOM 1190 C GLU A 78 -12.529 -10.056 2.985 1.00 0.00 C ATOM 1191 O GLU A 78 -11.853 -10.156 4.014 1.00 0.00 O ATOM 1192 CB GLU A 78 -13.171 -12.134 1.750 1.00 0.00 C ATOM 1193 CG GLU A 78 -13.306 -12.810 3.101 1.00 0.00 C ATOM 1194 CD GLU A 78 -14.468 -13.777 3.157 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -14.324 -14.917 2.675 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -15.532 -13.396 3.694 1.00 0.00 O ATOM 0 H GLU A 78 -10.516 -11.872 2.484 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.438 -10.320 0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.159 -11.824 1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.797 -12.859 1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.383 -13.344 3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.434 -12.050 3.872 1.00 0.00 H new ATOM 1203 N VAL A 79 -13.526 -9.200 2.842 1.00 0.00 N ATOM 1204 CA VAL A 79 -14.071 -8.447 3.950 1.00 0.00 C ATOM 1205 C VAL A 79 -15.567 -8.746 4.030 1.00 0.00 C ATOM 1206 O VAL A 79 -16.378 -8.145 3.323 1.00 0.00 O ATOM 1207 CB VAL A 79 -13.815 -6.922 3.831 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -14.219 -6.384 2.467 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -14.532 -6.164 4.942 1.00 0.00 C ATOM 0 H VAL A 79 -13.980 -9.009 1.949 1.00 0.00 H new ATOM 0 HA VAL A 79 -13.565 -8.756 4.865 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.742 -6.765 3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -14.023 -5.313 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.642 -6.888 1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.281 -6.565 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.338 -5.096 4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.604 -6.346 4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.167 -6.507 5.910 1.00 0.00 H new ATOM 1219 N SER A 80 -15.911 -9.711 4.876 1.00 0.00 N ATOM 1220 CA SER A 80 -17.281 -10.218 4.992 1.00 0.00 C ATOM 1221 C SER A 80 -17.910 -10.488 3.616 1.00 0.00 C ATOM 1222 O SER A 80 -18.783 -9.749 3.157 1.00 0.00 O ATOM 1223 CB SER A 80 -18.155 -9.267 5.828 1.00 0.00 C ATOM 1224 OG SER A 80 -18.031 -7.917 5.396 1.00 0.00 O ATOM 0 H SER A 80 -15.249 -10.167 5.504 1.00 0.00 H new ATOM 0 HA SER A 80 -17.230 -11.173 5.514 1.00 0.00 H new ATOM 0 HB2 SER A 80 -19.198 -9.576 5.758 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.870 -9.340 6.878 1.00 0.00 H new ATOM 0 HG SER A 80 -17.790 -7.898 4.446 1.00 0.00 H new ATOM 1230 N GLY A 81 -17.428 -11.528 2.943 1.00 0.00 N ATOM 1231 CA GLY A 81 -18.002 -11.932 1.669 1.00 0.00 C ATOM 1232 C GLY A 81 -17.498 -11.134 0.477 1.00 0.00 C ATOM 1233 O GLY A 81 -17.556 -11.603 -0.655 1.00 0.00 O ATOM 0 H GLY A 81 -16.646 -12.102 3.258 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.785 -12.987 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -19.086 -11.835 1.725 1.00 0.00 H new ATOM 1237 N ARG A 82 -17.010 -9.927 0.720 1.00 0.00 N ATOM 1238 CA ARG A 82 -16.538 -9.070 -0.361 1.00 0.00 C ATOM 1239 C ARG A 82 -15.045 -9.268 -0.588 1.00 0.00 C ATOM 1240 O ARG A 82 -14.262 -9.222 0.351 1.00 0.00 O ATOM 1241 CB ARG A 82 -16.839 -7.608 -0.033 1.00 0.00 C ATOM 1242 CG ARG A 82 -18.323 -7.326 0.126 1.00 0.00 C ATOM 1243 CD ARG A 82 -18.595 -5.872 0.476 1.00 0.00 C ATOM 1244 NE ARG A 82 -20.031 -5.599 0.541 1.00 0.00 N ATOM 1245 CZ ARG A 82 -20.595 -4.698 1.346 1.00 0.00 C ATOM 1246 NH1 ARG A 82 -19.856 -4.003 2.205 1.00 0.00 N ATOM 1247 NH2 ARG A 82 -21.907 -4.507 1.297 1.00 0.00 N ATOM 0 H ARG A 82 -16.930 -9.519 1.651 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.060 -9.341 -1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.323 -7.335 0.887 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.438 -6.974 -0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.841 -7.578 -0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.732 -7.969 0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.134 -5.634 1.435 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.133 -5.224 -0.269 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.644 -6.136 -0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.849 -4.157 2.252 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.296 -3.316 2.817 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -22.477 -5.048 0.647 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.346 -3.820 1.910 1.00 0.00 H new ATOM 1261 N ILE A 83 -14.653 -9.471 -1.834 1.00 0.00 N ATOM 1262 CA ILE A 83 -13.267 -9.792 -2.148 1.00 0.00 C ATOM 1263 C ILE A 83 -12.474 -8.521 -2.403 1.00 0.00 C ATOM 1264 O ILE A 83 -12.757 -7.775 -3.340 1.00 0.00 O ATOM 1265 CB ILE A 83 -13.143 -10.744 -3.369 1.00 0.00 C ATOM 1266 CG1 ILE A 83 -13.529 -12.179 -2.989 1.00 0.00 C ATOM 1267 CG2 ILE A 83 -11.726 -10.725 -3.932 1.00 0.00 C ATOM 1268 CD1 ILE A 83 -14.985 -12.365 -2.628 1.00 0.00 C ATOM 0 H ILE A 83 -15.271 -9.420 -2.644 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.857 -10.312 -1.282 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.832 -10.387 -4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.288 -12.839 -3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.916 -12.495 -2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.665 -11.400 -4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.474 -9.713 -4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.025 -11.049 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -15.166 -13.409 -2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.231 -11.735 -1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -15.609 -12.085 -3.477 1.00 0.00 H new ATOM 1280 N ILE A 84 -11.493 -8.276 -1.556 1.00 0.00 N ATOM 1281 CA ILE A 84 -10.658 -7.101 -1.682 1.00 0.00 C ATOM 1282 C ILE A 84 -9.434 -7.398 -2.535 1.00 0.00 C ATOM 1283 O ILE A 84 -8.763 -8.419 -2.362 1.00 0.00 O ATOM 1284 CB ILE A 84 -10.195 -6.558 -0.315 1.00 0.00 C ATOM 1285 CG1 ILE A 84 -10.958 -7.210 0.830 1.00 0.00 C ATOM 1286 CG2 ILE A 84 -10.394 -5.059 -0.246 1.00 0.00 C ATOM 1287 CD1 ILE A 84 -10.935 -6.381 2.091 1.00 0.00 C ATOM 0 H ILE A 84 -11.255 -8.880 -0.769 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.272 -6.339 -2.162 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.136 -6.796 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -11.992 -7.373 0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.528 -8.190 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.062 -4.692 0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.813 -4.578 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.450 -4.826 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.494 -6.894 2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.904 -6.240 2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.391 -5.410 1.896 1.00 0.00 H new ATOM 1299 N HIS A 85 -9.155 -6.490 -3.446 1.00 0.00 N ATOM 1300 CA HIS A 85 -8.029 -6.603 -4.348 1.00 0.00 C ATOM 1301 C HIS A 85 -7.033 -5.497 -4.021 1.00 0.00 C ATOM 1302 O HIS A 85 -7.208 -4.356 -4.451 1.00 0.00 O ATOM 1303 CB HIS A 85 -8.520 -6.462 -5.796 1.00 0.00 C ATOM 1304 CG HIS A 85 -7.971 -7.476 -6.750 1.00 0.00 C ATOM 1305 ND1 HIS A 85 -6.742 -7.611 -7.298 1.00 0.00 N flip ATOM 1306 CD2 HIS A 85 -8.740 -8.486 -7.288 1.00 0.00 C flip ATOM 1307 CE1 HIS A 85 -6.791 -8.684 -8.152 1.00 0.00 C flip ATOM 1308 NE2 HIS A 85 -8.008 -9.193 -8.126 1.00 0.00 N flip ATOM 0 H HIS A 85 -9.709 -5.645 -3.582 1.00 0.00 H new ATOM 0 HA HIS A 85 -7.547 -7.574 -4.234 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.608 -6.530 -5.803 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -8.260 -5.467 -6.157 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -5.929 -7.024 -7.111 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -9.779 -8.669 -7.059 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -5.968 -9.052 -8.748 1.00 0.00 H new ATOM 1317 N LEU A 86 -6.007 -5.819 -3.242 1.00 0.00 N ATOM 1318 CA LEU A 86 -5.050 -4.809 -2.805 1.00 0.00 C ATOM 1319 C LEU A 86 -3.910 -4.683 -3.797 1.00 0.00 C ATOM 1320 O LEU A 86 -3.170 -5.635 -4.021 1.00 0.00 O ATOM 1321 CB LEU A 86 -4.495 -5.123 -1.411 1.00 0.00 C ATOM 1322 CG LEU A 86 -5.393 -4.714 -0.244 1.00 0.00 C ATOM 1323 CD1 LEU A 86 -6.420 -5.796 0.055 1.00 0.00 C ATOM 1324 CD2 LEU A 86 -4.547 -4.403 0.982 1.00 0.00 C ATOM 0 H LEU A 86 -5.817 -6.762 -2.903 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.583 -3.860 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.307 -6.195 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.533 -4.623 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.939 -3.812 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.047 -5.482 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.042 -5.960 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.908 -6.722 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.196 -4.113 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.975 -5.287 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.863 -3.586 0.754 1.00 0.00 H new ATOM 1336 N HIS A 87 -3.776 -3.511 -4.389 1.00 0.00 N ATOM 1337 CA HIS A 87 -2.744 -3.269 -5.385 1.00 0.00 C ATOM 1338 C HIS A 87 -1.586 -2.504 -4.763 1.00 0.00 C ATOM 1339 O HIS A 87 -1.753 -1.359 -4.354 1.00 0.00 O ATOM 1340 CB HIS A 87 -3.301 -2.454 -6.558 1.00 0.00 C ATOM 1341 CG HIS A 87 -4.481 -3.069 -7.240 1.00 0.00 C ATOM 1342 ND1 HIS A 87 -4.370 -4.055 -8.190 1.00 0.00 N ATOM 1343 CD2 HIS A 87 -5.803 -2.814 -7.118 1.00 0.00 C ATOM 1344 CE1 HIS A 87 -5.570 -4.378 -8.626 1.00 0.00 C ATOM 1345 NE2 HIS A 87 -6.462 -3.641 -7.993 1.00 0.00 N ATOM 0 H HIS A 87 -4.372 -2.706 -4.197 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.397 -4.235 -5.751 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.582 -1.466 -6.195 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.508 -2.310 -7.292 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -3.495 -4.472 -8.508 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.257 -2.093 -6.455 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.788 -5.123 -9.377 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.472 -3.679 -8.131 1.00 0.00 H new ATOM 1354 N ALA A 88 -0.422 -3.127 -4.681 1.00 0.00 N ATOM 1355 CA ALA A 88 0.758 -2.458 -4.154 1.00 0.00 C ATOM 1356 C ALA A 88 1.515 -1.778 -5.282 1.00 0.00 C ATOM 1357 O ALA A 88 2.044 -2.437 -6.177 1.00 0.00 O ATOM 1358 CB ALA A 88 1.657 -3.445 -3.426 1.00 0.00 C ATOM 0 H ALA A 88 -0.268 -4.093 -4.972 1.00 0.00 H new ATOM 0 HA ALA A 88 0.439 -1.701 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.533 -2.923 -3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.109 -3.894 -2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.975 -4.226 -4.117 1.00 0.00 H new ATOM 1364 N TRP A 89 1.544 -0.458 -5.246 1.00 0.00 N ATOM 1365 CA TRP A 89 2.213 0.318 -6.275 1.00 0.00 C ATOM 1366 C TRP A 89 3.491 0.930 -5.722 1.00 0.00 C ATOM 1367 O TRP A 89 3.517 1.406 -4.587 1.00 0.00 O ATOM 1368 CB TRP A 89 1.284 1.422 -6.782 1.00 0.00 C ATOM 1369 CG TRP A 89 1.102 1.419 -8.270 1.00 0.00 C ATOM 1370 CD1 TRP A 89 2.018 1.791 -9.209 1.00 0.00 C ATOM 1371 CD2 TRP A 89 -0.078 1.041 -8.990 1.00 0.00 C ATOM 1372 NE1 TRP A 89 1.488 1.659 -10.468 1.00 0.00 N ATOM 1373 CE2 TRP A 89 0.202 1.200 -10.361 1.00 0.00 C ATOM 1374 CE3 TRP A 89 -1.338 0.577 -8.608 1.00 0.00 C ATOM 1375 CZ2 TRP A 89 -0.736 0.915 -11.351 1.00 0.00 C ATOM 1376 CZ3 TRP A 89 -2.267 0.296 -9.591 1.00 0.00 C ATOM 1377 CH2 TRP A 89 -1.962 0.464 -10.948 1.00 0.00 C ATOM 0 H TRP A 89 1.110 0.101 -4.512 1.00 0.00 H new ATOM 0 HA TRP A 89 2.468 -0.342 -7.104 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.310 1.313 -6.305 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.682 2.389 -6.475 1.00 0.00 H new ATOM 0 HD1 TRP A 89 3.017 2.139 -8.993 1.00 0.00 H new ATOM 0 HE1 TRP A 89 1.973 1.868 -11.341 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -1.582 0.440 -7.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -0.503 1.045 -12.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.247 -0.060 -9.308 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -2.711 0.232 -11.691 1.00 0.00 H new ATOM 1388 N HIS A 90 4.550 0.910 -6.518 1.00 0.00 N ATOM 1389 CA HIS A 90 5.823 1.486 -6.117 1.00 0.00 C ATOM 1390 C HIS A 90 5.821 2.981 -6.420 1.00 0.00 C ATOM 1391 O HIS A 90 5.862 3.385 -7.582 1.00 0.00 O ATOM 1392 CB HIS A 90 6.969 0.772 -6.861 1.00 0.00 C ATOM 1393 CG HIS A 90 8.351 1.302 -6.582 1.00 0.00 C ATOM 1394 ND1 HIS A 90 9.366 1.267 -7.514 1.00 0.00 N ATOM 1395 CD2 HIS A 90 8.893 1.859 -5.471 1.00 0.00 C ATOM 1396 CE1 HIS A 90 10.461 1.778 -6.996 1.00 0.00 C ATOM 1397 NE2 HIS A 90 10.209 2.146 -5.758 1.00 0.00 N ATOM 0 H HIS A 90 4.551 0.498 -7.451 1.00 0.00 H new ATOM 0 HA HIS A 90 5.973 1.351 -5.046 1.00 0.00 H new ATOM 0 HB2 HIS A 90 6.945 -0.286 -6.600 1.00 0.00 H new ATOM 0 HB3 HIS A 90 6.782 0.841 -7.933 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.280 0.900 -8.462 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.387 2.043 -4.535 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.410 1.879 -7.502 1.00 0.00 H new ATOM 0 HE2 HIS A 90 10.878 2.573 -5.117 1.00 0.00 H new ATOM 1406 N VAL A 91 5.750 3.790 -5.372 1.00 0.00 N ATOM 1407 CA VAL A 91 5.719 5.237 -5.517 1.00 0.00 C ATOM 1408 C VAL A 91 7.137 5.792 -5.463 1.00 0.00 C ATOM 1409 O VAL A 91 7.765 5.819 -4.402 1.00 0.00 O ATOM 1410 CB VAL A 91 4.856 5.901 -4.419 1.00 0.00 C ATOM 1411 CG1 VAL A 91 4.809 7.411 -4.598 1.00 0.00 C ATOM 1412 CG2 VAL A 91 3.450 5.318 -4.417 1.00 0.00 C ATOM 0 H VAL A 91 5.713 3.465 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 91 5.269 5.467 -6.483 1.00 0.00 H new ATOM 0 HB VAL A 91 5.319 5.691 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.195 7.852 -3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.819 7.816 -4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.379 7.649 -5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.858 5.798 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.983 5.492 -5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.501 4.246 -4.226 1.00 0.00 H new ATOM 1422 N PRO A 92 7.669 6.205 -6.619 1.00 0.00 N ATOM 1423 CA PRO A 92 9.039 6.686 -6.737 1.00 0.00 C ATOM 1424 C PRO A 92 9.170 8.190 -6.513 1.00 0.00 C ATOM 1425 O PRO A 92 10.274 8.707 -6.323 1.00 0.00 O ATOM 1426 CB PRO A 92 9.372 6.329 -8.182 1.00 0.00 C ATOM 1427 CG PRO A 92 8.079 6.486 -8.918 1.00 0.00 C ATOM 1428 CD PRO A 92 6.976 6.219 -7.923 1.00 0.00 C ATOM 0 HA PRO A 92 9.700 6.248 -5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.140 6.988 -8.586 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.752 5.310 -8.261 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.990 7.490 -9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 92 8.023 5.789 -9.754 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.209 6.993 -7.960 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.480 5.269 -8.122 1.00 0.00 H new ATOM 1436 N ASP A 93 8.046 8.893 -6.534 1.00 0.00 N ATOM 1437 CA ASP A 93 8.068 10.344 -6.459 1.00 0.00 C ATOM 1438 C ASP A 93 6.872 10.882 -5.690 1.00 0.00 C ATOM 1439 O ASP A 93 5.747 10.410 -5.856 1.00 0.00 O ATOM 1440 CB ASP A 93 8.073 10.936 -7.864 1.00 0.00 C ATOM 1441 CG ASP A 93 8.170 12.444 -7.857 1.00 0.00 C ATOM 1442 OD1 ASP A 93 9.208 12.968 -7.406 1.00 0.00 O ATOM 1443 OD2 ASP A 93 7.219 13.105 -8.322 1.00 0.00 O ATOM 0 H ASP A 93 7.114 8.484 -6.602 1.00 0.00 H new ATOM 0 HA ASP A 93 8.975 10.635 -5.928 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.912 10.524 -8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.163 10.636 -8.384 1.00 0.00 H new ATOM 1448 N PHE A 94 7.135 11.862 -4.848 1.00 0.00 N ATOM 1449 CA PHE A 94 6.097 12.525 -4.072 1.00 0.00 C ATOM 1450 C PHE A 94 6.493 13.975 -3.811 1.00 0.00 C ATOM 1451 O PHE A 94 7.671 14.279 -3.622 1.00 0.00 O ATOM 1452 CB PHE A 94 5.855 11.788 -2.746 1.00 0.00 C ATOM 1453 CG PHE A 94 7.073 11.694 -1.864 1.00 0.00 C ATOM 1454 CD1 PHE A 94 7.979 10.658 -2.018 1.00 0.00 C ATOM 1455 CD2 PHE A 94 7.310 12.644 -0.883 1.00 0.00 C ATOM 1456 CE1 PHE A 94 9.101 10.572 -1.214 1.00 0.00 C ATOM 1457 CE2 PHE A 94 8.429 12.563 -0.076 1.00 0.00 C ATOM 1458 CZ PHE A 94 9.326 11.527 -0.241 1.00 0.00 C ATOM 0 H PHE A 94 8.074 12.224 -4.680 1.00 0.00 H new ATOM 0 HA PHE A 94 5.169 12.508 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.062 12.297 -2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 94 5.497 10.781 -2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.807 9.908 -2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 94 6.612 13.457 -0.748 1.00 0.00 H new ATOM 0 HE1 PHE A 94 9.800 9.760 -1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 94 8.602 13.311 0.684 1.00 0.00 H new ATOM 0 HZ PHE A 94 10.201 11.463 0.389 1.00 0.00 H new ATOM 1468 N HIS A 95 5.517 14.869 -3.825 1.00 0.00 N ATOM 1469 CA HIS A 95 5.779 16.287 -3.620 1.00 0.00 C ATOM 1470 C HIS A 95 5.043 16.794 -2.388 1.00 0.00 C ATOM 1471 O HIS A 95 3.818 16.703 -2.309 1.00 0.00 O ATOM 1472 CB HIS A 95 5.355 17.076 -4.865 1.00 0.00 C ATOM 1473 CG HIS A 95 6.086 16.654 -6.101 1.00 0.00 C ATOM 1474 ND1 HIS A 95 7.330 17.129 -6.438 1.00 0.00 N ATOM 1475 CD2 HIS A 95 5.755 15.762 -7.060 1.00 0.00 C ATOM 1476 CE1 HIS A 95 7.733 16.549 -7.550 1.00 0.00 C ATOM 1477 NE2 HIS A 95 6.798 15.708 -7.952 1.00 0.00 N ATOM 0 H HIS A 95 4.535 14.639 -3.976 1.00 0.00 H new ATOM 0 HA HIS A 95 6.847 16.430 -3.457 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.284 16.949 -5.022 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.528 18.138 -4.692 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.838 15.195 -7.115 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.673 16.731 -8.050 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.843 15.119 -8.783 1.00 0.00 H new ATOM 1486 N GLY A 96 5.791 17.312 -1.424 1.00 0.00 N ATOM 1487 CA GLY A 96 5.193 17.797 -0.196 1.00 0.00 C ATOM 1488 C GLY A 96 5.864 17.213 1.033 1.00 0.00 C ATOM 1489 O GLY A 96 6.973 16.681 0.947 1.00 0.00 O ATOM 0 H GLY A 96 6.806 17.405 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.262 18.884 -0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.133 17.544 -0.185 1.00 0.00 H new ATOM 1493 N THR A 97 5.199 17.309 2.177 1.00 0.00 N ATOM 1494 CA THR A 97 5.738 16.777 3.413 1.00 0.00 C ATOM 1495 C THR A 97 4.815 15.695 3.956 1.00 0.00 C ATOM 1496 O THR A 97 3.667 15.965 4.313 1.00 0.00 O ATOM 1497 CB THR A 97 5.919 17.890 4.464 1.00 0.00 C ATOM 1498 OG1 THR A 97 6.673 18.973 3.895 1.00 0.00 O ATOM 1499 CG2 THR A 97 6.634 17.367 5.704 1.00 0.00 C ATOM 0 H THR A 97 4.285 17.752 2.270 1.00 0.00 H new ATOM 0 HA THR A 97 6.717 16.347 3.202 1.00 0.00 H new ATOM 0 HB THR A 97 4.931 18.241 4.762 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.786 19.680 4.564 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.747 18.175 6.427 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.049 16.562 6.148 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.618 16.990 5.425 1.00 0.00 H new ATOM 1507 N LEU A 98 5.327 14.472 3.998 1.00 0.00 N ATOM 1508 CA LEU A 98 4.531 13.323 4.411 1.00 0.00 C ATOM 1509 C LEU A 98 4.189 13.399 5.890 1.00 0.00 C ATOM 1510 O LEU A 98 5.063 13.548 6.744 1.00 0.00 O ATOM 1511 CB LEU A 98 5.236 12.000 4.089 1.00 0.00 C ATOM 1512 CG LEU A 98 6.736 11.945 4.388 1.00 0.00 C ATOM 1513 CD1 LEU A 98 7.127 10.565 4.887 1.00 0.00 C ATOM 1514 CD2 LEU A 98 7.527 12.285 3.136 1.00 0.00 C ATOM 0 H LEU A 98 6.291 14.250 3.751 1.00 0.00 H new ATOM 0 HA LEU A 98 3.603 13.352 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.745 11.205 4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.089 11.782 3.031 1.00 0.00 H new ATOM 0 HG LEU A 98 6.963 12.675 5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.197 10.543 5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.575 10.338 5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.890 9.822 4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.594 12.244 3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.291 11.567 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.264 13.289 2.801 1.00 0.00 H new ATOM 1526 N GLN A 99 2.905 13.301 6.172 1.00 0.00 N ATOM 1527 CA GLN A 99 2.388 13.428 7.515 1.00 0.00 C ATOM 1528 C GLN A 99 1.485 12.240 7.827 1.00 0.00 C ATOM 1529 O GLN A 99 1.060 11.523 6.923 1.00 0.00 O ATOM 1530 CB GLN A 99 1.605 14.738 7.630 1.00 0.00 C ATOM 1531 CG GLN A 99 0.309 14.734 6.834 1.00 0.00 C ATOM 1532 CD GLN A 99 -0.466 16.028 6.941 1.00 0.00 C ATOM 1533 OE1 GLN A 99 0.107 17.100 7.135 1.00 0.00 O ATOM 1534 NE2 GLN A 99 -1.776 15.937 6.800 1.00 0.00 N ATOM 0 H GLN A 99 2.187 13.130 5.468 1.00 0.00 H new ATOM 0 HA GLN A 99 3.210 13.440 8.231 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.379 14.927 8.679 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.233 15.560 7.286 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.536 14.541 5.786 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.319 13.913 7.181 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.210 15.028 6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -2.354 16.776 6.850 1.00 0.00 H new ATOM 1543 N ALA A 100 1.212 12.019 9.098 1.00 0.00 N ATOM 1544 CA ALA A 100 0.312 10.952 9.492 1.00 0.00 C ATOM 1545 C ALA A 100 -1.033 11.510 9.956 1.00 0.00 C ATOM 1546 O ALA A 100 -1.157 12.001 11.079 1.00 0.00 O ATOM 1547 CB ALA A 100 0.956 10.095 10.571 1.00 0.00 C ATOM 0 H ALA A 100 1.598 12.560 9.872 1.00 0.00 H new ATOM 0 HA ALA A 100 0.120 10.322 8.623 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.271 9.297 10.859 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.879 9.660 10.188 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.180 10.713 11.441 1.00 0.00 H new ATOM 1553 N HIS A 101 -2.030 11.466 9.073 1.00 0.00 N ATOM 1554 CA HIS A 101 -3.374 11.940 9.398 1.00 0.00 C ATOM 1555 C HIS A 101 -4.143 10.889 10.200 1.00 0.00 C ATOM 1556 O HIS A 101 -4.325 11.028 11.407 1.00 0.00 O ATOM 1557 CB HIS A 101 -4.127 12.297 8.109 1.00 0.00 C ATOM 1558 CG HIS A 101 -5.556 12.706 8.311 1.00 0.00 C ATOM 1559 ND1 HIS A 101 -6.618 11.951 7.869 1.00 0.00 N ATOM 1560 CD2 HIS A 101 -6.096 13.803 8.892 1.00 0.00 C ATOM 1561 CE1 HIS A 101 -7.745 12.561 8.167 1.00 0.00 C ATOM 1562 NE2 HIS A 101 -7.462 13.689 8.790 1.00 0.00 N ATOM 0 H HIS A 101 -1.931 11.106 8.124 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.289 12.834 10.015 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.598 13.108 7.608 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.100 11.438 7.439 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -6.543 11.056 7.385 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.554 14.617 9.351 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.737 12.199 7.940 1.00 0.00 H new ATOM 1571 N GLU A 102 -4.583 9.834 9.526 1.00 0.00 N ATOM 1572 CA GLU A 102 -5.307 8.752 10.177 1.00 0.00 C ATOM 1573 C GLU A 102 -4.344 7.771 10.817 1.00 0.00 C ATOM 1574 O GLU A 102 -4.745 6.809 11.472 1.00 0.00 O ATOM 1575 CB GLU A 102 -6.194 8.035 9.164 1.00 0.00 C ATOM 1576 CG GLU A 102 -7.600 8.607 9.093 1.00 0.00 C ATOM 1577 CD GLU A 102 -8.308 8.546 10.430 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -8.161 9.490 11.233 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -9.000 7.543 10.694 1.00 0.00 O ATOM 0 H GLU A 102 -4.450 9.705 8.523 1.00 0.00 H new ATOM 0 HA GLU A 102 -5.934 9.177 10.961 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.733 8.097 8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.251 6.978 9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.553 9.642 8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.178 8.056 8.352 1.00 0.00 H new ATOM 1586 N HIS A 103 -3.069 8.037 10.626 1.00 0.00 N ATOM 1587 CA HIS A 103 -2.018 7.187 11.139 1.00 0.00 C ATOM 1588 C HIS A 103 -1.291 7.935 12.244 1.00 0.00 C ATOM 1589 O HIS A 103 -1.402 9.154 12.331 1.00 0.00 O ATOM 1590 CB HIS A 103 -1.068 6.808 10.000 1.00 0.00 C ATOM 1591 CG HIS A 103 -1.750 6.090 8.869 1.00 0.00 C ATOM 1592 ND1 HIS A 103 -2.522 6.726 7.909 1.00 0.00 N ATOM 1593 CD2 HIS A 103 -1.777 4.778 8.550 1.00 0.00 C ATOM 1594 CE1 HIS A 103 -2.985 5.828 7.058 1.00 0.00 C ATOM 1595 NE2 HIS A 103 -2.547 4.644 7.426 1.00 0.00 N ATOM 0 H HIS A 103 -2.733 8.850 10.110 1.00 0.00 H new ATOM 0 HA HIS A 103 -2.430 6.265 11.550 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -0.595 7.712 9.615 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.273 6.176 10.395 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -2.704 7.729 7.867 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -1.282 3.980 9.084 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.616 6.032 6.205 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.749 3.765 6.950 1.00 0.00 H new ATOM 1604 N GLN A 104 -0.565 7.229 13.095 1.00 0.00 N ATOM 1605 CA GLN A 104 0.091 7.888 14.215 1.00 0.00 C ATOM 1606 C GLN A 104 1.547 8.209 13.890 1.00 0.00 C ATOM 1607 O GLN A 104 1.983 9.351 14.030 1.00 0.00 O ATOM 1608 CB GLN A 104 0.000 7.031 15.479 1.00 0.00 C ATOM 1609 CG GLN A 104 0.371 7.793 16.742 1.00 0.00 C ATOM 1610 CD GLN A 104 0.157 6.983 18.003 1.00 0.00 C ATOM 1611 OE1 GLN A 104 -0.929 6.998 18.582 1.00 0.00 O ATOM 1612 NE2 GLN A 104 1.195 6.294 18.449 1.00 0.00 N ATOM 0 H GLN A 104 -0.416 6.222 13.036 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.429 8.828 14.398 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -1.015 6.647 15.578 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.659 6.169 15.375 1.00 0.00 H new ATOM 0 HG2 GLN A 104 1.416 8.096 16.684 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.223 8.706 16.797 1.00 0.00 H new ATOM 0 HE21 GLN A 104 2.077 6.311 17.936 1.00 0.00 H new ATOM 0 HE22 GLN A 104 1.114 5.746 19.306 1.00 0.00 H new ATOM 1621 N ALA A 105 2.290 7.207 13.440 1.00 0.00 N ATOM 1622 CA ALA A 105 3.707 7.384 13.147 1.00 0.00 C ATOM 1623 C ALA A 105 4.009 7.083 11.685 1.00 0.00 C ATOM 1624 O ALA A 105 3.238 6.394 11.017 1.00 0.00 O ATOM 1625 CB ALA A 105 4.545 6.493 14.053 1.00 0.00 C ATOM 0 H ALA A 105 1.937 6.265 13.270 1.00 0.00 H new ATOM 0 HA ALA A 105 3.964 8.426 13.336 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.602 6.634 13.825 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.360 6.756 15.094 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.274 5.450 13.889 1.00 0.00 H new ATOM 1631 N LEU A 106 5.132 7.599 11.201 1.00 0.00 N ATOM 1632 CA LEU A 106 5.577 7.366 9.832 1.00 0.00 C ATOM 1633 C LEU A 106 7.072 7.058 9.842 1.00 0.00 C ATOM 1634 O LEU A 106 7.858 7.836 10.385 1.00 0.00 O ATOM 1635 CB LEU A 106 5.306 8.601 8.963 1.00 0.00 C ATOM 1636 CG LEU A 106 4.385 8.381 7.762 1.00 0.00 C ATOM 1637 CD1 LEU A 106 2.988 7.995 8.211 1.00 0.00 C ATOM 1638 CD2 LEU A 106 4.334 9.630 6.899 1.00 0.00 C ATOM 0 H LEU A 106 5.760 8.190 11.746 1.00 0.00 H new ATOM 0 HA LEU A 106 5.027 6.523 9.413 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.871 9.377 9.593 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.260 8.983 8.600 1.00 0.00 H new ATOM 0 HG LEU A 106 4.791 7.560 7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.354 7.845 7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.034 7.072 8.790 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.572 8.790 8.829 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.675 9.458 6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.955 10.465 7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.336 9.865 6.540 1.00 0.00 H new ATOM 1650 N VAL A 107 7.466 5.931 9.269 1.00 0.00 N ATOM 1651 CA VAL A 107 8.868 5.530 9.296 1.00 0.00 C ATOM 1652 C VAL A 107 9.345 5.047 7.926 1.00 0.00 C ATOM 1653 O VAL A 107 8.573 4.486 7.146 1.00 0.00 O ATOM 1654 CB VAL A 107 9.113 4.416 10.347 1.00 0.00 C ATOM 1655 CG1 VAL A 107 8.498 3.092 9.909 1.00 0.00 C ATOM 1656 CG2 VAL A 107 10.598 4.251 10.636 1.00 0.00 C ATOM 0 H VAL A 107 6.845 5.283 8.785 1.00 0.00 H new ATOM 0 HA VAL A 107 9.441 6.415 9.572 1.00 0.00 H new ATOM 0 HB VAL A 107 8.620 4.724 11.269 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.688 2.334 10.668 1.00 0.00 H new ATOM 0 HG12 VAL A 107 7.423 3.215 9.781 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.943 2.779 8.964 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.739 3.463 11.376 1.00 0.00 H new ATOM 0 HG22 VAL A 107 11.120 3.983 9.717 1.00 0.00 H new ATOM 0 HG23 VAL A 107 11.000 5.188 11.022 1.00 0.00 H new ATOM 1666 N TRP A 108 10.613 5.297 7.636 1.00 0.00 N ATOM 1667 CA TRP A 108 11.264 4.747 6.461 1.00 0.00 C ATOM 1668 C TRP A 108 12.155 3.585 6.858 1.00 0.00 C ATOM 1669 O TRP A 108 13.156 3.766 7.552 1.00 0.00 O ATOM 1670 CB TRP A 108 12.103 5.803 5.740 1.00 0.00 C ATOM 1671 CG TRP A 108 11.325 6.643 4.776 1.00 0.00 C ATOM 1672 CD1 TRP A 108 10.521 6.197 3.768 1.00 0.00 C ATOM 1673 CD2 TRP A 108 11.302 8.071 4.709 1.00 0.00 C ATOM 1674 NE1 TRP A 108 9.992 7.262 3.081 1.00 0.00 N ATOM 1675 CE2 TRP A 108 10.456 8.424 3.641 1.00 0.00 C ATOM 1676 CE3 TRP A 108 11.913 9.087 5.453 1.00 0.00 C ATOM 1677 CZ2 TRP A 108 10.207 9.751 3.297 1.00 0.00 C ATOM 1678 CZ3 TRP A 108 11.666 10.403 5.111 1.00 0.00 C ATOM 1679 CH2 TRP A 108 10.818 10.726 4.041 1.00 0.00 C ATOM 0 H TRP A 108 11.217 5.886 8.209 1.00 0.00 H new ATOM 0 HA TRP A 108 10.485 4.403 5.781 1.00 0.00 H new ATOM 0 HB2 TRP A 108 12.566 6.454 6.482 1.00 0.00 H new ATOM 0 HB3 TRP A 108 12.911 5.306 5.203 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.329 5.158 3.543 1.00 0.00 H new ATOM 0 HE1 TRP A 108 9.358 7.199 2.285 1.00 0.00 H new ATOM 0 HE3 TRP A 108 12.566 8.847 6.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 9.555 10.002 2.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 12.133 11.196 5.677 1.00 0.00 H new ATOM 0 HH2 TRP A 108 10.643 11.764 3.799 1.00 0.00 H new ATOM 1690 N CYS A 109 11.793 2.395 6.425 1.00 0.00 N ATOM 1691 CA CYS A 109 12.622 1.232 6.668 1.00 0.00 C ATOM 1692 C CYS A 109 12.772 0.442 5.382 1.00 0.00 C ATOM 1693 O CYS A 109 11.915 0.506 4.503 1.00 0.00 O ATOM 1694 CB CYS A 109 12.047 0.361 7.789 1.00 0.00 C ATOM 1695 SG CYS A 109 10.372 -0.232 7.488 1.00 0.00 S ATOM 0 H CYS A 109 10.935 2.208 5.906 1.00 0.00 H new ATOM 0 HA CYS A 109 13.606 1.565 6.997 1.00 0.00 H new ATOM 0 HB2 CYS A 109 12.702 -0.498 7.937 1.00 0.00 H new ATOM 0 HB3 CYS A 109 12.056 0.933 8.717 1.00 0.00 H new ATOM 0 HG CYS A 109 9.982 -0.959 8.493 1.00 0.00 H new ATOM 1701 N SER A 110 13.862 -0.289 5.271 1.00 0.00 N ATOM 1702 CA SER A 110 14.186 -1.006 4.052 1.00 0.00 C ATOM 1703 C SER A 110 13.239 -2.209 3.878 1.00 0.00 C ATOM 1704 O SER A 110 12.564 -2.596 4.828 1.00 0.00 O ATOM 1705 CB SER A 110 15.650 -1.435 4.124 1.00 0.00 C ATOM 1706 OG SER A 110 16.465 -0.350 4.540 1.00 0.00 O ATOM 0 H SER A 110 14.546 -0.404 6.019 1.00 0.00 H new ATOM 0 HA SER A 110 14.050 -0.367 3.180 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.758 -2.267 4.820 1.00 0.00 H new ATOM 0 HB3 SER A 110 15.979 -1.792 3.148 1.00 0.00 H new ATOM 0 HG SER A 110 17.400 -0.641 4.583 1.00 0.00 H new ATOM 1712 N PRO A 111 13.154 -2.795 2.664 1.00 0.00 N ATOM 1713 CA PRO A 111 12.220 -3.894 2.360 1.00 0.00 C ATOM 1714 C PRO A 111 12.232 -5.023 3.392 1.00 0.00 C ATOM 1715 O PRO A 111 11.191 -5.365 3.956 1.00 0.00 O ATOM 1716 CB PRO A 111 12.695 -4.418 0.995 1.00 0.00 C ATOM 1717 CG PRO A 111 13.991 -3.731 0.726 1.00 0.00 C ATOM 1718 CD PRO A 111 13.948 -2.440 1.486 1.00 0.00 C ATOM 0 HA PRO A 111 11.191 -3.533 2.368 1.00 0.00 H new ATOM 0 HB2 PRO A 111 12.823 -5.500 1.014 1.00 0.00 H new ATOM 0 HB3 PRO A 111 11.966 -4.197 0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 111 14.831 -4.345 1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 111 14.121 -3.550 -0.341 1.00 0.00 H new ATOM 0 HD2 PRO A 111 14.946 -2.095 1.757 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.482 -1.643 0.907 1.00 0.00 H new ATOM 1726 N GLU A 112 13.402 -5.592 3.648 1.00 0.00 N ATOM 1727 CA GLU A 112 13.508 -6.720 4.573 1.00 0.00 C ATOM 1728 C GLU A 112 13.236 -6.260 6.002 1.00 0.00 C ATOM 1729 O GLU A 112 12.718 -7.015 6.822 1.00 0.00 O ATOM 1730 CB GLU A 112 14.880 -7.414 4.470 1.00 0.00 C ATOM 1731 CG GLU A 112 16.077 -6.551 4.859 1.00 0.00 C ATOM 1732 CD GLU A 112 16.380 -5.456 3.856 1.00 0.00 C ATOM 1733 OE1 GLU A 112 17.137 -5.710 2.896 1.00 0.00 O ATOM 1734 OE2 GLU A 112 15.861 -4.342 4.024 1.00 0.00 O ATOM 0 H GLU A 112 14.286 -5.297 3.234 1.00 0.00 H new ATOM 0 HA GLU A 112 12.753 -7.455 4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 112 14.870 -8.300 5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 112 15.019 -7.758 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.889 -6.100 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.955 -7.188 4.967 1.00 0.00 H new ATOM 1741 N GLU A 113 13.564 -5.006 6.274 1.00 0.00 N ATOM 1742 CA GLU A 113 13.301 -4.399 7.571 1.00 0.00 C ATOM 1743 C GLU A 113 11.799 -4.283 7.812 1.00 0.00 C ATOM 1744 O GLU A 113 11.310 -4.587 8.897 1.00 0.00 O ATOM 1745 CB GLU A 113 13.946 -3.015 7.634 1.00 0.00 C ATOM 1746 CG GLU A 113 15.458 -3.043 7.512 1.00 0.00 C ATOM 1747 CD GLU A 113 16.144 -3.238 8.845 1.00 0.00 C ATOM 1748 OE1 GLU A 113 15.974 -4.310 9.462 1.00 0.00 O ATOM 1749 OE2 GLU A 113 16.843 -2.304 9.289 1.00 0.00 O ATOM 0 H GLU A 113 14.018 -4.383 5.606 1.00 0.00 H new ATOM 0 HA GLU A 113 13.730 -5.033 8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.537 -2.396 6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.675 -2.540 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.750 -3.847 6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.800 -2.110 7.064 1.00 0.00 H new ATOM 1756 N ALA A 114 11.077 -3.870 6.773 1.00 0.00 N ATOM 1757 CA ALA A 114 9.639 -3.633 6.854 1.00 0.00 C ATOM 1758 C ALA A 114 8.880 -4.900 7.217 1.00 0.00 C ATOM 1759 O ALA A 114 7.995 -4.876 8.068 1.00 0.00 O ATOM 1760 CB ALA A 114 9.124 -3.071 5.536 1.00 0.00 C ATOM 0 H ALA A 114 11.473 -3.690 5.851 1.00 0.00 H new ATOM 0 HA ALA A 114 9.467 -2.905 7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 114 8.050 -2.898 5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.629 -2.130 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 114 9.324 -3.782 4.734 1.00 0.00 H new ATOM 1766 N LEU A 115 9.238 -6.008 6.587 1.00 0.00 N ATOM 1767 CA LEU A 115 8.529 -7.262 6.804 1.00 0.00 C ATOM 1768 C LEU A 115 8.869 -7.840 8.176 1.00 0.00 C ATOM 1769 O LEU A 115 8.166 -8.712 8.688 1.00 0.00 O ATOM 1770 CB LEU A 115 8.864 -8.257 5.687 1.00 0.00 C ATOM 1771 CG LEU A 115 7.681 -9.085 5.160 1.00 0.00 C ATOM 1772 CD1 LEU A 115 7.347 -10.231 6.099 1.00 0.00 C ATOM 1773 CD2 LEU A 115 6.456 -8.201 4.967 1.00 0.00 C ATOM 0 H LEU A 115 10.011 -6.066 5.924 1.00 0.00 H new ATOM 0 HA LEU A 115 7.456 -7.069 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.300 -7.707 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.630 -8.941 6.052 1.00 0.00 H new ATOM 0 HG LEU A 115 7.975 -9.505 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.506 -10.797 5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.213 -10.886 6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 115 7.082 -9.833 7.079 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.628 -8.803 4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.177 -7.752 5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.685 -7.414 4.249 1.00 0.00 H new ATOM 1785 N GLN A 116 9.943 -7.344 8.778 1.00 0.00 N ATOM 1786 CA GLN A 116 10.316 -7.757 10.123 1.00 0.00 C ATOM 1787 C GLN A 116 9.639 -6.875 11.166 1.00 0.00 C ATOM 1788 O GLN A 116 9.871 -7.018 12.368 1.00 0.00 O ATOM 1789 CB GLN A 116 11.829 -7.727 10.293 1.00 0.00 C ATOM 1790 CG GLN A 116 12.531 -8.806 9.487 1.00 0.00 C ATOM 1791 CD GLN A 116 12.075 -10.204 9.860 1.00 0.00 C ATOM 1792 OE1 GLN A 116 11.101 -10.724 9.313 1.00 0.00 O ATOM 1793 NE2 GLN A 116 12.786 -10.829 10.783 1.00 0.00 N ATOM 0 H GLN A 116 10.569 -6.657 8.357 1.00 0.00 H new ATOM 0 HA GLN A 116 9.975 -8.782 10.272 1.00 0.00 H new ATOM 0 HB2 GLN A 116 12.205 -6.750 9.990 1.00 0.00 H new ATOM 0 HB3 GLN A 116 12.074 -7.850 11.348 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.347 -8.639 8.426 1.00 0.00 H new ATOM 0 HG3 GLN A 116 13.607 -8.726 9.640 1.00 0.00 H new ATOM 0 HE21 GLN A 116 13.586 -10.364 11.212 1.00 0.00 H new ATOM 0 HE22 GLN A 116 12.535 -11.776 11.066 1.00 0.00 H new ATOM 1802 N TYR A 117 8.813 -5.956 10.695 1.00 0.00 N ATOM 1803 CA TYR A 117 7.981 -5.146 11.568 1.00 0.00 C ATOM 1804 C TYR A 117 6.577 -5.735 11.625 1.00 0.00 C ATOM 1805 O TYR A 117 6.207 -6.539 10.765 1.00 0.00 O ATOM 1806 CB TYR A 117 7.922 -3.697 11.067 1.00 0.00 C ATOM 1807 CG TYR A 117 9.020 -2.808 11.611 1.00 0.00 C ATOM 1808 CD1 TYR A 117 10.348 -3.003 11.258 1.00 0.00 C ATOM 1809 CD2 TYR A 117 8.719 -1.766 12.478 1.00 0.00 C ATOM 1810 CE1 TYR A 117 11.345 -2.185 11.752 1.00 0.00 C ATOM 1811 CE2 TYR A 117 9.709 -0.944 12.977 1.00 0.00 C ATOM 1812 CZ TYR A 117 11.020 -1.158 12.612 1.00 0.00 C ATOM 1813 OH TYR A 117 12.010 -0.336 13.105 1.00 0.00 O ATOM 0 H TYR A 117 8.701 -5.751 9.702 1.00 0.00 H new ATOM 0 HA TYR A 117 8.416 -5.146 12.568 1.00 0.00 H new ATOM 0 HB2 TYR A 117 7.977 -3.698 9.978 1.00 0.00 H new ATOM 0 HB3 TYR A 117 6.956 -3.270 11.337 1.00 0.00 H new ATOM 0 HD1 TYR A 117 10.606 -3.808 10.586 1.00 0.00 H new ATOM 0 HD2 TYR A 117 7.692 -1.596 12.767 1.00 0.00 H new ATOM 0 HE1 TYR A 117 12.373 -2.349 11.466 1.00 0.00 H new ATOM 0 HE2 TYR A 117 9.457 -0.138 13.650 1.00 0.00 H new ATOM 0 HH TYR A 117 11.612 0.337 13.696 1.00 0.00 H new ATOM 1823 N PRO A 118 5.779 -5.380 12.642 1.00 0.00 N ATOM 1824 CA PRO A 118 4.396 -5.843 12.736 1.00 0.00 C ATOM 1825 C PRO A 118 3.501 -5.204 11.672 1.00 0.00 C ATOM 1826 O PRO A 118 2.902 -4.152 11.895 1.00 0.00 O ATOM 1827 CB PRO A 118 3.965 -5.409 14.137 1.00 0.00 C ATOM 1828 CG PRO A 118 4.835 -4.245 14.456 1.00 0.00 C ATOM 1829 CD PRO A 118 6.154 -4.524 13.786 1.00 0.00 C ATOM 0 HA PRO A 118 4.312 -6.917 12.571 1.00 0.00 H new ATOM 0 HB2 PRO A 118 2.911 -5.133 14.159 1.00 0.00 H new ATOM 0 HB3 PRO A 118 4.099 -6.214 14.860 1.00 0.00 H new ATOM 0 HG2 PRO A 118 4.398 -3.317 14.087 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.959 -4.133 15.533 1.00 0.00 H new ATOM 0 HD2 PRO A 118 6.641 -3.606 13.459 1.00 0.00 H new ATOM 0 HD3 PRO A 118 6.847 -5.031 14.457 1.00 0.00 H new ATOM 1837 N LEU A 119 3.451 -5.830 10.505 1.00 0.00 N ATOM 1838 CA LEU A 119 2.620 -5.354 9.408 1.00 0.00 C ATOM 1839 C LEU A 119 1.269 -6.063 9.412 1.00 0.00 C ATOM 1840 O LEU A 119 1.151 -7.186 9.908 1.00 0.00 O ATOM 1841 CB LEU A 119 3.318 -5.582 8.063 1.00 0.00 C ATOM 1842 CG LEU A 119 4.540 -4.702 7.790 1.00 0.00 C ATOM 1843 CD1 LEU A 119 5.139 -5.040 6.436 1.00 0.00 C ATOM 1844 CD2 LEU A 119 4.159 -3.233 7.847 1.00 0.00 C ATOM 0 H LEU A 119 3.981 -6.675 10.292 1.00 0.00 H new ATOM 0 HA LEU A 119 2.460 -4.285 9.546 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.626 -6.626 8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.592 -5.421 7.266 1.00 0.00 H new ATOM 0 HG LEU A 119 5.287 -4.895 8.560 1.00 0.00 H new ATOM 0 HD11 LEU A 119 6.007 -4.407 6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.444 -6.086 6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.396 -4.870 5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 119 5.039 -2.621 7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.398 -3.025 7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.766 -2.997 8.836 1.00 0.00 H new ATOM 1856 N ALA A 120 0.252 -5.401 8.872 1.00 0.00 N ATOM 1857 CA ALA A 120 -1.078 -5.992 8.769 1.00 0.00 C ATOM 1858 C ALA A 120 -1.066 -7.190 7.811 1.00 0.00 C ATOM 1859 O ALA A 120 -0.236 -7.259 6.905 1.00 0.00 O ATOM 1860 CB ALA A 120 -2.082 -4.940 8.314 1.00 0.00 C ATOM 0 H ALA A 120 0.323 -4.454 8.499 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.378 -6.355 9.752 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.072 -5.390 8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.107 -4.124 9.037 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.786 -4.552 7.339 1.00 0.00 H new ATOM 1866 N PRO A 121 -1.997 -8.147 8.000 1.00 0.00 N ATOM 1867 CA PRO A 121 -2.047 -9.399 7.224 1.00 0.00 C ATOM 1868 C PRO A 121 -2.120 -9.194 5.707 1.00 0.00 C ATOM 1869 O PRO A 121 -1.779 -10.093 4.939 1.00 0.00 O ATOM 1870 CB PRO A 121 -3.325 -10.094 7.725 1.00 0.00 C ATOM 1871 CG PRO A 121 -4.091 -9.043 8.454 1.00 0.00 C ATOM 1872 CD PRO A 121 -3.068 -8.097 9.006 1.00 0.00 C ATOM 0 HA PRO A 121 -1.133 -9.974 7.373 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -3.904 -10.496 6.894 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -3.085 -10.931 8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -4.779 -8.527 7.785 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -4.690 -9.480 9.253 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.469 -7.090 9.119 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -2.715 -8.412 9.988 1.00 0.00 H new ATOM 1880 N ALA A 122 -2.559 -8.023 5.270 1.00 0.00 N ATOM 1881 CA ALA A 122 -2.669 -7.744 3.845 1.00 0.00 C ATOM 1882 C ALA A 122 -1.389 -7.108 3.313 1.00 0.00 C ATOM 1883 O ALA A 122 -1.048 -7.256 2.139 1.00 0.00 O ATOM 1884 CB ALA A 122 -3.857 -6.839 3.572 1.00 0.00 C ATOM 0 H ALA A 122 -2.843 -7.254 5.877 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.821 -8.691 3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.925 -6.640 2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.771 -7.327 3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.729 -5.899 4.108 1.00 0.00 H new ATOM 1890 N ASP A 123 -0.678 -6.428 4.200 1.00 0.00 N ATOM 1891 CA ASP A 123 0.523 -5.680 3.837 1.00 0.00 C ATOM 1892 C ASP A 123 1.716 -6.606 3.711 1.00 0.00 C ATOM 1893 O ASP A 123 2.651 -6.339 2.953 1.00 0.00 O ATOM 1894 CB ASP A 123 0.821 -4.616 4.895 1.00 0.00 C ATOM 1895 CG ASP A 123 -0.299 -3.603 5.027 1.00 0.00 C ATOM 1896 OD1 ASP A 123 -1.414 -4.003 5.427 1.00 0.00 O ATOM 1897 OD2 ASP A 123 -0.066 -2.415 4.729 1.00 0.00 O ATOM 0 H ASP A 123 -0.914 -6.377 5.191 1.00 0.00 H new ATOM 0 HA ASP A 123 0.344 -5.200 2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.984 -5.100 5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.746 -4.100 4.637 1.00 0.00 H new ATOM 1902 N ILE A 124 1.661 -7.711 4.440 1.00 0.00 N ATOM 1903 CA ILE A 124 2.757 -8.665 4.470 1.00 0.00 C ATOM 1904 C ILE A 124 3.019 -9.249 3.076 1.00 0.00 C ATOM 1905 O ILE A 124 4.100 -9.051 2.528 1.00 0.00 O ATOM 1906 CB ILE A 124 2.494 -9.801 5.488 1.00 0.00 C ATOM 1907 CG1 ILE A 124 2.354 -9.225 6.903 1.00 0.00 C ATOM 1908 CG2 ILE A 124 3.613 -10.835 5.440 1.00 0.00 C ATOM 1909 CD1 ILE A 124 1.979 -10.252 7.952 1.00 0.00 C ATOM 0 H ILE A 124 0.864 -7.969 5.021 1.00 0.00 H new ATOM 0 HA ILE A 124 3.647 -8.124 4.791 1.00 0.00 H new ATOM 0 HB ILE A 124 1.561 -10.296 5.220 1.00 0.00 H new ATOM 0 HG12 ILE A 124 3.296 -8.757 7.188 1.00 0.00 H new ATOM 0 HG13 ILE A 124 1.598 -8.440 6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.410 -11.625 6.163 1.00 0.00 H new ATOM 0 HG22 ILE A 124 3.669 -11.264 4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.562 -10.356 5.683 1.00 0.00 H new ATOM 0 HD11 ILE A 124 1.900 -9.766 8.925 1.00 0.00 H new ATOM 0 HD12 ILE A 124 1.022 -10.704 7.693 1.00 0.00 H new ATOM 0 HD13 ILE A 124 2.746 -11.026 7.994 1.00 0.00 H new ATOM 1921 N PRO A 125 2.028 -9.928 2.454 1.00 0.00 N ATOM 1922 CA PRO A 125 2.217 -10.581 1.150 1.00 0.00 C ATOM 1923 C PRO A 125 2.583 -9.593 0.046 1.00 0.00 C ATOM 1924 O PRO A 125 3.256 -9.950 -0.922 1.00 0.00 O ATOM 1925 CB PRO A 125 0.859 -11.228 0.861 1.00 0.00 C ATOM 1926 CG PRO A 125 -0.108 -10.498 1.722 1.00 0.00 C ATOM 1927 CD PRO A 125 0.655 -10.114 2.954 1.00 0.00 C ATOM 0 HA PRO A 125 3.042 -11.293 1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 125 0.595 -11.137 -0.193 1.00 0.00 H new ATOM 0 HB3 PRO A 125 0.871 -12.292 1.096 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.498 -9.617 1.213 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.963 -11.127 1.971 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.263 -9.201 3.403 1.00 0.00 H new ATOM 0 HD3 PRO A 125 0.606 -10.891 3.717 1.00 0.00 H new ATOM 1935 N LEU A 126 2.153 -8.346 0.203 1.00 0.00 N ATOM 1936 CA LEU A 126 2.464 -7.310 -0.770 1.00 0.00 C ATOM 1937 C LEU A 126 3.935 -6.945 -0.680 1.00 0.00 C ATOM 1938 O LEU A 126 4.618 -6.790 -1.693 1.00 0.00 O ATOM 1939 CB LEU A 126 1.604 -6.066 -0.530 1.00 0.00 C ATOM 1940 CG LEU A 126 0.103 -6.251 -0.758 1.00 0.00 C ATOM 1941 CD1 LEU A 126 -0.647 -4.975 -0.414 1.00 0.00 C ATOM 1942 CD2 LEU A 126 -0.169 -6.653 -2.199 1.00 0.00 C ATOM 0 H LEU A 126 1.590 -8.030 0.993 1.00 0.00 H new ATOM 0 HA LEU A 126 2.246 -7.694 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.760 -5.730 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 126 1.958 -5.269 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.250 -7.048 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.714 -5.123 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.476 -4.723 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.290 -4.162 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.242 -6.781 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.198 -5.876 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.341 -7.591 -2.417 1.00 0.00 H new ATOM 1954 N LEU A 127 4.427 -6.836 0.547 1.00 0.00 N ATOM 1955 CA LEU A 127 5.811 -6.479 0.779 1.00 0.00 C ATOM 1956 C LEU A 127 6.705 -7.665 0.450 1.00 0.00 C ATOM 1957 O LEU A 127 7.804 -7.492 -0.085 1.00 0.00 O ATOM 1958 CB LEU A 127 5.997 -6.030 2.235 1.00 0.00 C ATOM 1959 CG LEU A 127 7.312 -5.307 2.563 1.00 0.00 C ATOM 1960 CD1 LEU A 127 8.483 -6.274 2.646 1.00 0.00 C ATOM 1961 CD2 LEU A 127 7.589 -4.230 1.531 1.00 0.00 C ATOM 0 H LEU A 127 3.883 -6.991 1.396 1.00 0.00 H new ATOM 0 HA LEU A 127 6.091 -5.648 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.170 -5.371 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.921 -6.908 2.876 1.00 0.00 H new ATOM 0 HG LEU A 127 7.199 -4.844 3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.394 -5.723 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.293 -7.009 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.602 -6.784 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.524 -3.725 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 127 7.669 -4.684 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 127 6.774 -3.506 1.533 1.00 0.00 H new ATOM 1973 N GLU A 128 6.219 -8.868 0.745 1.00 0.00 N ATOM 1974 CA GLU A 128 6.956 -10.088 0.439 1.00 0.00 C ATOM 1975 C GLU A 128 7.324 -10.145 -1.038 1.00 0.00 C ATOM 1976 O GLU A 128 8.417 -10.578 -1.397 1.00 0.00 O ATOM 1977 CB GLU A 128 6.147 -11.331 0.813 1.00 0.00 C ATOM 1978 CG GLU A 128 5.828 -11.432 2.293 1.00 0.00 C ATOM 1979 CD GLU A 128 5.298 -12.798 2.686 1.00 0.00 C ATOM 1980 OE1 GLU A 128 4.071 -13.019 2.598 1.00 0.00 O ATOM 1981 OE2 GLU A 128 6.109 -13.662 3.084 1.00 0.00 O ATOM 0 H GLU A 128 5.317 -9.023 1.196 1.00 0.00 H new ATOM 0 HA GLU A 128 7.870 -10.073 1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.214 -11.329 0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.701 -12.219 0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.727 -11.216 2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.092 -10.672 2.554 1.00 0.00 H new ATOM 1988 N ALA A 129 6.412 -9.706 -1.896 1.00 0.00 N ATOM 1989 CA ALA A 129 6.692 -9.676 -3.319 1.00 0.00 C ATOM 1990 C ALA A 129 7.536 -8.473 -3.705 1.00 0.00 C ATOM 1991 O ALA A 129 8.302 -8.543 -4.657 1.00 0.00 O ATOM 1992 CB ALA A 129 5.421 -9.691 -4.139 1.00 0.00 C ATOM 0 H ALA A 129 5.485 -9.371 -1.633 1.00 0.00 H new ATOM 0 HA ALA A 129 7.260 -10.580 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 129 5.672 -9.668 -5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 129 4.857 -10.598 -3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 129 4.817 -8.819 -3.890 1.00 0.00 H new ATOM 1998 N PHE A 130 7.424 -7.373 -2.971 1.00 0.00 N ATOM 1999 CA PHE A 130 8.195 -6.184 -3.301 1.00 0.00 C ATOM 2000 C PHE A 130 9.668 -6.451 -3.049 1.00 0.00 C ATOM 2001 O PHE A 130 10.525 -6.119 -3.872 1.00 0.00 O ATOM 2002 CB PHE A 130 7.731 -4.983 -2.474 1.00 0.00 C ATOM 2003 CG PHE A 130 8.437 -3.704 -2.831 1.00 0.00 C ATOM 2004 CD1 PHE A 130 8.025 -2.952 -3.919 1.00 0.00 C ATOM 2005 CD2 PHE A 130 9.511 -3.255 -2.081 1.00 0.00 C ATOM 2006 CE1 PHE A 130 8.669 -1.777 -4.251 1.00 0.00 C ATOM 2007 CE2 PHE A 130 10.159 -2.081 -2.411 1.00 0.00 C ATOM 2008 CZ PHE A 130 9.737 -1.342 -3.497 1.00 0.00 C ATOM 0 H PHE A 130 6.817 -7.280 -2.157 1.00 0.00 H new ATOM 0 HA PHE A 130 8.040 -5.949 -4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 130 6.658 -4.848 -2.613 1.00 0.00 H new ATOM 0 HB3 PHE A 130 7.891 -5.195 -1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 130 7.190 -3.289 -4.515 1.00 0.00 H new ATOM 0 HD2 PHE A 130 9.845 -3.829 -1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 130 8.336 -1.199 -5.101 1.00 0.00 H new ATOM 0 HE2 PHE A 130 10.996 -1.741 -1.819 1.00 0.00 H new ATOM 0 HZ PHE A 130 10.243 -0.424 -3.756 1.00 0.00 H new ATOM 2018 N MET A 131 9.959 -7.060 -1.907 1.00 0.00 N ATOM 2019 CA MET A 131 11.319 -7.456 -1.599 1.00 0.00 C ATOM 2020 C MET A 131 11.759 -8.563 -2.554 1.00 0.00 C ATOM 2021 O MET A 131 12.922 -8.622 -2.938 1.00 0.00 O ATOM 2022 CB MET A 131 11.453 -7.895 -0.132 1.00 0.00 C ATOM 2023 CG MET A 131 10.714 -9.178 0.216 1.00 0.00 C ATOM 2024 SD MET A 131 10.831 -9.588 1.969 1.00 0.00 S ATOM 2025 CE MET A 131 9.938 -11.139 2.010 1.00 0.00 C ATOM 0 H MET A 131 9.274 -7.287 -1.186 1.00 0.00 H new ATOM 0 HA MET A 131 11.975 -6.596 -1.735 1.00 0.00 H new ATOM 0 HB2 MET A 131 12.510 -8.026 0.099 1.00 0.00 H new ATOM 0 HB3 MET A 131 11.084 -7.094 0.508 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.665 -9.076 -0.061 1.00 0.00 H new ATOM 0 HG3 MET A 131 11.121 -9.999 -0.374 1.00 0.00 H new ATOM 0 HE1 MET A 131 9.061 -11.037 2.650 1.00 0.00 H new ATOM 0 HE2 MET A 131 9.622 -11.404 1.001 1.00 0.00 H new ATOM 0 HE3 MET A 131 10.586 -11.922 2.404 1.00 0.00 H new ATOM 2035 N ALA A 132 10.817 -9.421 -2.958 1.00 0.00 N ATOM 2036 CA ALA A 132 11.078 -10.432 -3.979 1.00 0.00 C ATOM 2037 C ALA A 132 11.536 -9.791 -5.286 1.00 0.00 C ATOM 2038 O ALA A 132 12.456 -10.283 -5.939 1.00 0.00 O ATOM 2039 CB ALA A 132 9.825 -11.271 -4.215 1.00 0.00 C ATOM 0 H ALA A 132 9.866 -9.433 -2.590 1.00 0.00 H new ATOM 0 HA ALA A 132 11.880 -11.077 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 132 10.029 -12.022 -4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 132 9.538 -11.765 -3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 132 9.013 -10.626 -4.549 1.00 0.00 H new ATOM 2045 N LEU A 133 10.906 -8.678 -5.652 1.00 0.00 N ATOM 2046 CA LEU A 133 11.255 -7.958 -6.869 1.00 0.00 C ATOM 2047 C LEU A 133 12.681 -7.436 -6.784 1.00 0.00 C ATOM 2048 O LEU A 133 13.467 -7.587 -7.717 1.00 0.00 O ATOM 2049 CB LEU A 133 10.290 -6.787 -7.102 1.00 0.00 C ATOM 2050 CG LEU A 133 9.154 -7.044 -8.100 1.00 0.00 C ATOM 2051 CD1 LEU A 133 9.719 -7.348 -9.477 1.00 0.00 C ATOM 2052 CD2 LEU A 133 8.251 -8.175 -7.632 1.00 0.00 C ATOM 0 H LEU A 133 10.147 -8.255 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 133 11.176 -8.651 -7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 133 9.850 -6.508 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 133 10.867 -5.930 -7.450 1.00 0.00 H new ATOM 0 HG LEU A 133 8.549 -6.139 -8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 133 8.901 -7.528 -10.174 1.00 0.00 H new ATOM 0 HD12 LEU A 133 10.311 -6.500 -9.823 1.00 0.00 H new ATOM 0 HD13 LEU A 133 10.352 -8.234 -9.423 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.456 -8.332 -8.361 1.00 0.00 H new ATOM 0 HD22 LEU A 133 8.836 -9.089 -7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.813 -7.916 -6.668 1.00 0.00 H new ATOM 2064 N ARG A 134 13.012 -6.836 -5.652 1.00 0.00 N ATOM 2065 CA ARG A 134 14.329 -6.246 -5.453 1.00 0.00 C ATOM 2066 C ARG A 134 15.413 -7.306 -5.280 1.00 0.00 C ATOM 2067 O ARG A 134 16.587 -7.038 -5.516 1.00 0.00 O ATOM 2068 CB ARG A 134 14.305 -5.311 -4.244 1.00 0.00 C ATOM 2069 CG ARG A 134 13.560 -4.009 -4.503 1.00 0.00 C ATOM 2070 CD ARG A 134 13.427 -3.174 -3.241 1.00 0.00 C ATOM 2071 NE ARG A 134 14.716 -2.982 -2.568 1.00 0.00 N ATOM 2072 CZ ARG A 134 15.097 -1.852 -1.964 1.00 0.00 C ATOM 2073 NH1 ARG A 134 14.348 -0.759 -2.020 1.00 0.00 N ATOM 2074 NH2 ARG A 134 16.252 -1.819 -1.311 1.00 0.00 N ATOM 0 H ARG A 134 12.385 -6.744 -4.853 1.00 0.00 H new ATOM 0 HA ARG A 134 14.574 -5.676 -6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 134 13.840 -5.827 -3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 134 15.329 -5.083 -3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 134 14.087 -3.434 -5.265 1.00 0.00 H new ATOM 0 HG3 ARG A 134 12.569 -4.230 -4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 134 13.002 -2.202 -3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 134 12.730 -3.659 -2.557 1.00 0.00 H new ATOM 0 HE ARG A 134 15.368 -3.766 -2.560 1.00 0.00 H new ATOM 0 HH11 ARG A 134 13.465 -0.772 -2.530 1.00 0.00 H new ATOM 0 HH12 ARG A 134 14.655 0.094 -1.553 1.00 0.00 H new ATOM 0 HH21 ARG A 134 16.840 -2.651 -1.273 1.00 0.00 H new ATOM 0 HH22 ARG A 134 16.551 -0.961 -0.847 1.00 0.00 H new ATOM 2088 N ALA A 135 15.024 -8.510 -4.882 1.00 0.00 N ATOM 2089 CA ALA A 135 15.986 -9.585 -4.686 1.00 0.00 C ATOM 2090 C ALA A 135 16.280 -10.292 -6.004 1.00 0.00 C ATOM 2091 O ALA A 135 17.412 -10.710 -6.267 1.00 0.00 O ATOM 2092 CB ALA A 135 15.469 -10.581 -3.659 1.00 0.00 C ATOM 0 H ALA A 135 14.055 -8.765 -4.690 1.00 0.00 H new ATOM 0 HA ALA A 135 16.913 -9.149 -4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 135 16.200 -11.378 -3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 135 15.308 -10.073 -2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 135 14.528 -11.007 -4.007 1.00 0.00 H new ATOM 2098 N ALA A 136 15.251 -10.419 -6.832 1.00 0.00 N ATOM 2099 CA ALA A 136 15.379 -11.084 -8.121 1.00 0.00 C ATOM 2100 C ALA A 136 15.865 -10.114 -9.191 1.00 0.00 C ATOM 2101 O ALA A 136 16.335 -10.545 -10.242 1.00 0.00 O ATOM 2102 CB ALA A 136 14.050 -11.704 -8.530 1.00 0.00 C ATOM 0 H ALA A 136 14.314 -10.068 -6.632 1.00 0.00 H new ATOM 0 HA ALA A 136 16.121 -11.877 -8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 136 14.161 -12.198 -9.495 1.00 0.00 H new ATOM 0 HB2 ALA A 136 13.744 -12.435 -7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 136 13.293 -10.924 -8.606 1.00 0.00 H new