USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.022) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.518 USER MOD Single : A 107 HIS : no HD1:sc= -0.361 K(o=-0.36,f=-1.2) USER MOD Single : A 109 MET CE :methyl -138:sc= -2.09 (180deg=-3.78!) USER MOD Single : A 110 THR OG1 : rot -159:sc= -0.705 USER MOD Single : A 111 ASN :FLIP amide:sc= -1.76! C(o=-5.2!,f=-1.8!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 124 MET CE :methyl -106:sc= -2.75! (180deg=-3.81!) USER MOD Single : A 135 GLN :FLIP amide:sc= -0.275 F(o=-1.2,f=-0.27) USER MOD Single : A 137 ASN : amide:sc= -5.23! C(o=-5.2!,f=-17!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.543 X(o=-0.54,f=-0.099) USER MOD Single : A 144 MET CE :methyl -135:sc= -0.0666 (180deg=-0.482) USER MOD Single : A 145 MET CE :methyl -143:sc= -1.21 (180deg=-2.07!) USER MOD Single : A 146 THR OG1 : rot -113:sc= -2.5! USER MOD ----------------------------------------------------------------- ATOM 106 N GLU A 83 -15.638 -2.378 1.303 1.00 0.00 N ATOM 107 CA GLU A 83 -15.184 -1.268 2.183 1.00 0.00 C ATOM 108 C GLU A 83 -13.957 -1.705 2.981 1.00 0.00 C ATOM 109 O GLU A 83 -13.698 -1.214 4.062 1.00 0.00 O ATOM 110 CB GLU A 83 -16.310 -0.879 3.144 1.00 0.00 C ATOM 111 CG GLU A 83 -16.390 0.645 3.246 1.00 0.00 C ATOM 112 CD GLU A 83 -17.574 1.150 2.421 1.00 0.00 C ATOM 113 OE1 GLU A 83 -18.444 0.350 2.117 1.00 0.00 O ATOM 114 OE2 GLU A 83 -17.593 2.329 2.107 1.00 0.00 O ATOM 0 HA GLU A 83 -14.922 -0.409 1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.259 -1.281 2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -16.128 -1.311 4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.505 0.945 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.464 1.093 2.885 1.00 0.00 H new ATOM 121 N GLU A 84 -13.192 -2.613 2.449 1.00 0.00 N ATOM 122 CA GLU A 84 -11.971 -3.066 3.166 1.00 0.00 C ATOM 123 C GLU A 84 -10.763 -2.356 2.558 1.00 0.00 C ATOM 124 O GLU A 84 -9.705 -2.279 3.152 1.00 0.00 O ATOM 125 CB GLU A 84 -11.814 -4.581 3.008 1.00 0.00 C ATOM 126 CG GLU A 84 -11.235 -5.173 4.294 1.00 0.00 C ATOM 127 CD GLU A 84 -12.260 -6.112 4.932 1.00 0.00 C ATOM 128 OE1 GLU A 84 -13.159 -6.540 4.229 1.00 0.00 O ATOM 129 OE2 GLU A 84 -12.127 -6.389 6.113 1.00 0.00 O ATOM 0 H GLU A 84 -13.359 -3.061 1.548 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.049 -2.829 4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.780 -5.036 2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.158 -4.803 2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.316 -5.716 4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.975 -4.375 4.989 1.00 0.00 H new ATOM 136 N ILE A 85 -10.921 -1.834 1.370 1.00 0.00 N ATOM 137 CA ILE A 85 -9.800 -1.123 0.703 1.00 0.00 C ATOM 138 C ILE A 85 -9.741 0.322 1.197 1.00 0.00 C ATOM 139 O ILE A 85 -8.680 0.897 1.333 1.00 0.00 O ATOM 140 CB ILE A 85 -10.026 -1.133 -0.809 1.00 0.00 C ATOM 141 CG1 ILE A 85 -10.133 -2.575 -1.295 1.00 0.00 C ATOM 142 CG2 ILE A 85 -8.857 -0.438 -1.511 1.00 0.00 C ATOM 143 CD1 ILE A 85 -11.525 -2.816 -1.880 1.00 0.00 C ATOM 0 H ILE A 85 -11.787 -1.872 0.832 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.861 -1.624 0.939 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.949 -0.601 -1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.371 -2.773 -2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.950 -3.262 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.022 -0.447 -2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.785 0.593 -1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.930 -0.964 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.600 -3.847 -2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.278 -2.635 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.690 -2.138 -2.718 1.00 0.00 H new ATOM 155 N ARG A 86 -10.872 0.920 1.463 1.00 0.00 N ATOM 156 CA ARG A 86 -10.862 2.329 1.945 1.00 0.00 C ATOM 157 C ARG A 86 -10.061 2.414 3.245 1.00 0.00 C ATOM 158 O ARG A 86 -9.233 3.285 3.419 1.00 0.00 O ATOM 159 CB ARG A 86 -12.296 2.797 2.189 1.00 0.00 C ATOM 160 CG ARG A 86 -12.531 4.129 1.472 1.00 0.00 C ATOM 161 CD ARG A 86 -13.691 4.869 2.142 1.00 0.00 C ATOM 162 NE ARG A 86 -13.440 4.962 3.608 1.00 0.00 N ATOM 163 CZ ARG A 86 -14.424 5.217 4.425 1.00 0.00 C ATOM 164 NH1 ARG A 86 -14.971 6.403 4.436 1.00 0.00 N ATOM 165 NH2 ARG A 86 -14.862 4.288 5.229 1.00 0.00 N ATOM 0 H ARG A 86 -11.795 0.496 1.368 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.400 2.969 1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.000 2.048 1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.475 2.912 3.258 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.628 4.738 1.507 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.756 3.954 0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.794 5.867 1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.628 4.344 1.955 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.497 4.826 3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.629 7.128 3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.741 6.604 5.074 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.435 3.362 5.219 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.632 4.488 5.868 1.00 0.00 H new ATOM 179 N GLU A 87 -10.294 1.512 4.159 1.00 0.00 N ATOM 180 CA GLU A 87 -9.536 1.544 5.440 1.00 0.00 C ATOM 181 C GLU A 87 -8.207 0.819 5.251 1.00 0.00 C ATOM 182 O GLU A 87 -7.213 1.167 5.853 1.00 0.00 O ATOM 183 CB GLU A 87 -10.348 0.858 6.542 1.00 0.00 C ATOM 184 CG GLU A 87 -10.437 -0.643 6.254 1.00 0.00 C ATOM 185 CD GLU A 87 -11.718 -1.209 6.870 1.00 0.00 C ATOM 186 OE1 GLU A 87 -12.783 -0.904 6.358 1.00 0.00 O ATOM 187 OE2 GLU A 87 -11.613 -1.939 7.842 1.00 0.00 O ATOM 0 H GLU A 87 -10.974 0.757 4.074 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.352 2.578 5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.879 1.026 7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.348 1.289 6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.431 -0.818 5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.567 -1.155 6.665 1.00 0.00 H new ATOM 194 N ALA A 88 -8.170 -0.174 4.407 1.00 0.00 N ATOM 195 CA ALA A 88 -6.891 -0.892 4.176 1.00 0.00 C ATOM 196 C ALA A 88 -5.881 0.105 3.613 1.00 0.00 C ATOM 197 O ALA A 88 -4.684 -0.066 3.738 1.00 0.00 O ATOM 198 CB ALA A 88 -7.108 -2.029 3.178 1.00 0.00 C ATOM 0 H ALA A 88 -8.967 -0.516 3.871 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.522 -1.315 5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.166 -2.552 3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.846 -2.726 3.576 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.467 -1.620 2.233 1.00 0.00 H new ATOM 204 N PHE A 89 -6.359 1.156 2.999 1.00 0.00 N ATOM 205 CA PHE A 89 -5.435 2.171 2.438 1.00 0.00 C ATOM 206 C PHE A 89 -4.698 2.861 3.574 1.00 0.00 C ATOM 207 O PHE A 89 -3.485 2.894 3.610 1.00 0.00 O ATOM 208 CB PHE A 89 -6.215 3.224 1.647 1.00 0.00 C ATOM 209 CG PHE A 89 -5.255 4.315 1.239 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.300 4.061 0.250 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.308 5.571 1.855 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.397 5.059 -0.129 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.402 6.573 1.478 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.446 6.316 0.484 1.00 0.00 C ATOM 0 H PHE A 89 -7.351 1.351 2.865 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.729 1.672 1.774 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.675 2.774 0.767 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.022 3.635 2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.260 3.091 -0.223 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.045 5.768 2.619 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.662 4.860 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.440 7.542 1.953 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.749 7.087 0.192 1.00 0.00 H new ATOM 224 N ARG A 90 -5.420 3.415 4.502 1.00 0.00 N ATOM 225 CA ARG A 90 -4.760 4.106 5.636 1.00 0.00 C ATOM 226 C ARG A 90 -3.963 3.090 6.448 1.00 0.00 C ATOM 227 O ARG A 90 -2.960 3.412 7.054 1.00 0.00 O ATOM 228 CB ARG A 90 -5.822 4.753 6.518 1.00 0.00 C ATOM 229 CG ARG A 90 -5.590 6.257 6.550 1.00 0.00 C ATOM 230 CD ARG A 90 -5.603 6.750 7.999 1.00 0.00 C ATOM 231 NE ARG A 90 -6.676 6.045 8.752 1.00 0.00 N ATOM 232 CZ ARG A 90 -7.912 6.448 8.655 1.00 0.00 C ATOM 233 NH1 ARG A 90 -8.612 6.160 7.592 1.00 0.00 N ATOM 234 NH2 ARG A 90 -8.451 7.143 9.621 1.00 0.00 N ATOM 0 H ARG A 90 -6.440 3.419 4.524 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.086 4.876 5.259 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.817 4.534 6.131 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.774 4.343 7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.635 6.497 6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.364 6.766 5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.635 6.566 8.466 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.771 7.827 8.027 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.444 5.247 9.344 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.192 5.619 6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.579 6.476 7.517 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.905 7.371 10.452 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.418 7.458 9.544 1.00 0.00 H new ATOM 248 N VAL A 91 -4.391 1.860 6.453 1.00 0.00 N ATOM 249 CA VAL A 91 -3.647 0.825 7.213 1.00 0.00 C ATOM 250 C VAL A 91 -2.166 0.953 6.856 1.00 0.00 C ATOM 251 O VAL A 91 -1.291 0.663 7.647 1.00 0.00 O ATOM 252 CB VAL A 91 -4.177 -0.564 6.830 1.00 0.00 C ATOM 253 CG1 VAL A 91 -3.130 -1.634 7.144 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.451 -0.855 7.625 1.00 0.00 C ATOM 0 H VAL A 91 -5.223 1.529 5.964 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.779 0.958 8.287 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.393 -0.580 5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.518 -2.615 6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.221 -1.431 6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.904 -1.620 8.210 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.831 -1.841 7.356 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.228 -0.831 8.692 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.204 -0.101 7.395 1.00 0.00 H new ATOM 264 N PHE A 92 -1.890 1.412 5.667 1.00 0.00 N ATOM 265 CA PHE A 92 -0.479 1.597 5.235 1.00 0.00 C ATOM 266 C PHE A 92 -0.127 3.076 5.376 1.00 0.00 C ATOM 267 O PHE A 92 0.981 3.438 5.723 1.00 0.00 O ATOM 268 CB PHE A 92 -0.335 1.185 3.770 1.00 0.00 C ATOM 269 CG PHE A 92 -0.453 -0.313 3.649 1.00 0.00 C ATOM 270 CD1 PHE A 92 -1.715 -0.912 3.557 1.00 0.00 C ATOM 271 CD2 PHE A 92 0.701 -1.103 3.623 1.00 0.00 C ATOM 272 CE1 PHE A 92 -1.823 -2.302 3.439 1.00 0.00 C ATOM 273 CE2 PHE A 92 0.595 -2.494 3.504 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.668 -3.093 3.412 1.00 0.00 C ATOM 0 H PHE A 92 -2.590 1.669 4.971 1.00 0.00 H new ATOM 0 HA PHE A 92 0.184 0.986 5.847 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.104 1.670 3.169 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.628 1.516 3.382 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.605 -0.301 3.577 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.674 -0.640 3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.796 -2.764 3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.486 -3.104 3.483 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.751 -4.166 3.320 1.00 0.00 H new ATOM 284 N ASP A 93 -1.074 3.933 5.106 1.00 0.00 N ATOM 285 CA ASP A 93 -0.829 5.394 5.214 1.00 0.00 C ATOM 286 C ASP A 93 -1.175 5.865 6.627 1.00 0.00 C ATOM 287 O ASP A 93 -2.282 6.287 6.898 1.00 0.00 O ATOM 288 CB ASP A 93 -1.719 6.114 4.203 1.00 0.00 C ATOM 289 CG ASP A 93 -1.242 7.558 4.036 1.00 0.00 C ATOM 290 OD1 ASP A 93 -0.465 8.003 4.864 1.00 0.00 O ATOM 291 OD2 ASP A 93 -1.659 8.194 3.083 1.00 0.00 O ATOM 0 H ASP A 93 -2.017 3.677 4.812 1.00 0.00 H new ATOM 0 HA ASP A 93 0.219 5.614 5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.689 5.597 3.244 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.755 6.099 4.540 1.00 0.00 H new ATOM 296 N LYS A 94 -0.238 5.789 7.531 1.00 0.00 N ATOM 297 CA LYS A 94 -0.510 6.224 8.928 1.00 0.00 C ATOM 298 C LYS A 94 -0.485 7.746 9.010 1.00 0.00 C ATOM 299 O LYS A 94 -0.994 8.338 9.940 1.00 0.00 O ATOM 300 CB LYS A 94 0.566 5.662 9.845 1.00 0.00 C ATOM 301 CG LYS A 94 0.540 4.132 9.793 1.00 0.00 C ATOM 302 CD LYS A 94 -0.846 3.626 10.200 1.00 0.00 C ATOM 303 CE LYS A 94 -0.714 2.680 11.394 1.00 0.00 C ATOM 304 NZ LYS A 94 -2.058 2.145 11.757 1.00 0.00 N ATOM 0 H LYS A 94 0.707 5.443 7.361 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.491 5.860 9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.546 6.029 9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.402 6.004 10.867 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.782 3.788 8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.298 3.723 10.461 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.490 4.467 10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.316 3.109 9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.039 1.860 11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.280 3.208 12.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.968 1.502 12.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.689 2.933 12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.456 1.627 10.948 1.00 0.00 H new ATOM 318 N ASP A 95 0.102 8.382 8.044 1.00 0.00 N ATOM 319 CA ASP A 95 0.161 9.868 8.066 1.00 0.00 C ATOM 320 C ASP A 95 -1.194 10.434 7.628 1.00 0.00 C ATOM 321 O ASP A 95 -1.373 11.633 7.544 1.00 0.00 O ATOM 322 CB ASP A 95 1.252 10.346 7.103 1.00 0.00 C ATOM 323 CG ASP A 95 1.611 11.800 7.412 1.00 0.00 C ATOM 324 OD1 ASP A 95 0.978 12.678 6.849 1.00 0.00 O ATOM 325 OD2 ASP A 95 2.513 12.011 8.206 1.00 0.00 O ATOM 0 H ASP A 95 0.545 7.940 7.238 1.00 0.00 H new ATOM 0 HA ASP A 95 0.391 10.213 9.074 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.136 9.715 7.197 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.906 10.258 6.073 1.00 0.00 H new ATOM 330 N GLY A 96 -2.153 9.578 7.365 1.00 0.00 N ATOM 331 CA GLY A 96 -3.506 10.056 6.944 1.00 0.00 C ATOM 332 C GLY A 96 -3.376 11.281 6.036 1.00 0.00 C ATOM 333 O GLY A 96 -4.239 12.137 6.006 1.00 0.00 O ATOM 0 H GLY A 96 -2.055 8.564 7.425 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.034 9.260 6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.100 10.307 7.822 1.00 0.00 H new ATOM 337 N ASN A 97 -2.306 11.377 5.296 1.00 0.00 N ATOM 338 CA ASN A 97 -2.128 12.552 4.399 1.00 0.00 C ATOM 339 C ASN A 97 -2.762 12.255 3.037 1.00 0.00 C ATOM 340 O ASN A 97 -3.339 13.121 2.410 1.00 0.00 O ATOM 341 CB ASN A 97 -0.634 12.836 4.225 1.00 0.00 C ATOM 342 CG ASN A 97 -0.427 13.792 3.049 1.00 0.00 C ATOM 343 OD1 ASN A 97 -0.457 14.996 3.215 1.00 0.00 O ATOM 344 ND2 ASN A 97 -0.219 13.301 1.859 1.00 0.00 N ATOM 0 H ASN A 97 -1.549 10.694 5.274 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.612 13.425 4.837 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.228 13.273 5.137 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.095 11.905 4.049 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.081 13.927 1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.194 12.291 1.721 1.00 0.00 H new ATOM 351 N GLY A 98 -2.662 11.040 2.575 1.00 0.00 N ATOM 352 CA GLY A 98 -3.263 10.695 1.254 1.00 0.00 C ATOM 353 C GLY A 98 -2.256 9.896 0.428 1.00 0.00 C ATOM 354 O GLY A 98 -2.598 9.289 -0.567 1.00 0.00 O ATOM 0 H GLY A 98 -2.191 10.272 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.174 10.114 1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.545 11.604 0.723 1.00 0.00 H new ATOM 358 N TYR A 99 -1.016 9.889 0.832 1.00 0.00 N ATOM 359 CA TYR A 99 0.005 9.130 0.069 1.00 0.00 C ATOM 360 C TYR A 99 0.777 8.209 1.014 1.00 0.00 C ATOM 361 O TYR A 99 1.002 8.525 2.165 1.00 0.00 O ATOM 362 CB TYR A 99 0.979 10.099 -0.595 1.00 0.00 C ATOM 363 CG TYR A 99 0.717 10.138 -2.081 1.00 0.00 C ATOM 364 CD1 TYR A 99 -0.573 10.397 -2.563 1.00 0.00 C ATOM 365 CD2 TYR A 99 1.766 9.910 -2.978 1.00 0.00 C ATOM 366 CE1 TYR A 99 -0.810 10.428 -3.941 1.00 0.00 C ATOM 367 CE2 TYR A 99 1.530 9.942 -4.355 1.00 0.00 C ATOM 368 CZ TYR A 99 0.242 10.199 -4.839 1.00 0.00 C ATOM 369 OH TYR A 99 0.008 10.227 -6.200 1.00 0.00 O ATOM 0 H TYR A 99 -0.669 10.377 1.658 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.494 8.534 -0.695 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.864 11.096 -0.169 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.006 9.787 -0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.383 10.573 -1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.760 9.709 -2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.804 10.628 -4.313 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.342 9.768 -5.046 1.00 0.00 H new ATOM 0 HH TYR A 99 0.844 10.050 -6.679 1.00 0.00 H new ATOM 379 N ILE A 100 1.181 7.073 0.529 1.00 0.00 N ATOM 380 CA ILE A 100 1.938 6.118 1.380 1.00 0.00 C ATOM 381 C ILE A 100 3.417 6.147 0.987 1.00 0.00 C ATOM 382 O ILE A 100 3.759 6.070 -0.177 1.00 0.00 O ATOM 383 CB ILE A 100 1.378 4.716 1.154 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.081 4.674 1.625 1.00 0.00 C ATOM 385 CG2 ILE A 100 2.204 3.701 1.947 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.763 3.413 1.094 1.00 0.00 C ATOM 0 H ILE A 100 1.018 6.762 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 100 1.841 6.394 2.430 1.00 0.00 H new ATOM 0 HB ILE A 100 1.427 4.468 0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.121 4.689 2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.611 5.560 1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.804 2.700 1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.241 3.735 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.157 3.943 3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.799 3.390 1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.737 3.417 0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.240 2.532 1.466 1.00 0.00 H new ATOM 398 N SER A 101 4.298 6.257 1.945 1.00 0.00 N ATOM 399 CA SER A 101 5.754 6.290 1.616 1.00 0.00 C ATOM 400 C SER A 101 6.347 4.888 1.773 1.00 0.00 C ATOM 401 O SER A 101 5.699 3.978 2.251 1.00 0.00 O ATOM 402 CB SER A 101 6.472 7.252 2.562 1.00 0.00 C ATOM 403 OG SER A 101 5.631 7.535 3.673 1.00 0.00 O ATOM 0 H SER A 101 4.074 6.325 2.938 1.00 0.00 H new ATOM 0 HA SER A 101 5.883 6.627 0.587 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.409 6.812 2.904 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.725 8.174 2.038 1.00 0.00 H new ATOM 0 HG SER A 101 6.090 8.150 4.282 1.00 0.00 H new ATOM 409 N ALA A 102 7.577 4.706 1.375 1.00 0.00 N ATOM 410 CA ALA A 102 8.209 3.362 1.504 1.00 0.00 C ATOM 411 C ALA A 102 8.180 2.926 2.968 1.00 0.00 C ATOM 412 O ALA A 102 7.802 1.817 3.289 1.00 0.00 O ATOM 413 CB ALA A 102 9.659 3.429 1.019 1.00 0.00 C ATOM 0 H ALA A 102 8.170 5.428 0.967 1.00 0.00 H new ATOM 0 HA ALA A 102 7.658 2.642 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.120 2.446 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.679 3.740 -0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.212 4.149 1.623 1.00 0.00 H new ATOM 419 N ALA A 103 8.578 3.791 3.858 1.00 0.00 N ATOM 420 CA ALA A 103 8.572 3.432 5.300 1.00 0.00 C ATOM 421 C ALA A 103 7.147 3.085 5.729 1.00 0.00 C ATOM 422 O ALA A 103 6.927 2.206 6.540 1.00 0.00 O ATOM 423 CB ALA A 103 9.083 4.615 6.124 1.00 0.00 C ATOM 0 H ALA A 103 8.908 4.733 3.647 1.00 0.00 H new ATOM 0 HA ALA A 103 9.221 2.572 5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.078 4.351 7.182 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.099 4.861 5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.436 5.477 5.963 1.00 0.00 H new ATOM 429 N GLU A 104 6.173 3.763 5.188 1.00 0.00 N ATOM 430 CA GLU A 104 4.765 3.463 5.561 1.00 0.00 C ATOM 431 C GLU A 104 4.376 2.108 4.972 1.00 0.00 C ATOM 432 O GLU A 104 3.481 1.441 5.450 1.00 0.00 O ATOM 433 CB GLU A 104 3.847 4.553 5.004 1.00 0.00 C ATOM 434 CG GLU A 104 4.086 5.856 5.769 1.00 0.00 C ATOM 435 CD GLU A 104 3.993 5.588 7.271 1.00 0.00 C ATOM 436 OE1 GLU A 104 2.965 5.093 7.702 1.00 0.00 O ATOM 437 OE2 GLU A 104 4.953 5.882 7.966 1.00 0.00 O ATOM 0 H GLU A 104 6.292 4.511 4.505 1.00 0.00 H new ATOM 0 HA GLU A 104 4.665 3.433 6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.042 4.701 3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.804 4.249 5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.067 6.261 5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.349 6.603 5.476 1.00 0.00 H new ATOM 444 N LEU A 105 5.054 1.698 3.936 1.00 0.00 N ATOM 445 CA LEU A 105 4.744 0.384 3.308 1.00 0.00 C ATOM 446 C LEU A 105 5.472 -0.724 4.069 1.00 0.00 C ATOM 447 O LEU A 105 5.059 -1.867 4.065 1.00 0.00 O ATOM 448 CB LEU A 105 5.215 0.398 1.852 1.00 0.00 C ATOM 449 CG LEU A 105 4.843 -0.925 1.181 1.00 0.00 C ATOM 450 CD1 LEU A 105 3.324 -1.099 1.203 1.00 0.00 C ATOM 451 CD2 LEU A 105 5.332 -0.919 -0.270 1.00 0.00 C ATOM 0 H LEU A 105 5.812 2.219 3.496 1.00 0.00 H new ATOM 0 HA LEU A 105 3.670 0.203 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.756 1.230 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.294 0.549 1.809 1.00 0.00 H new ATOM 0 HG LEU A 105 5.312 -1.748 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.059 -2.042 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.973 -1.104 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.856 -0.275 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.066 -1.862 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.863 -0.095 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.415 -0.795 -0.289 1.00 0.00 H new ATOM 463 N ARG A 106 6.554 -0.397 4.723 1.00 0.00 N ATOM 464 CA ARG A 106 7.308 -1.426 5.484 1.00 0.00 C ATOM 465 C ARG A 106 6.595 -1.682 6.817 1.00 0.00 C ATOM 466 O ARG A 106 6.724 -2.733 7.413 1.00 0.00 O ATOM 467 CB ARG A 106 8.729 -0.899 5.727 1.00 0.00 C ATOM 468 CG ARG A 106 9.360 -1.586 6.940 1.00 0.00 C ATOM 469 CD ARG A 106 10.662 -0.876 7.309 1.00 0.00 C ATOM 470 NE ARG A 106 10.552 0.578 6.996 1.00 0.00 N ATOM 471 CZ ARG A 106 10.680 1.462 7.949 1.00 0.00 C ATOM 472 NH1 ARG A 106 11.851 1.688 8.478 1.00 0.00 N ATOM 473 NH2 ARG A 106 9.636 2.123 8.371 1.00 0.00 N ATOM 0 H ARG A 106 6.947 0.543 4.761 1.00 0.00 H new ATOM 0 HA ARG A 106 7.358 -2.363 4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.343 -1.074 4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.700 0.179 5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.670 -1.564 7.783 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.556 -2.635 6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.874 -1.014 8.369 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.494 -1.314 6.758 1.00 0.00 H new ATOM 0 HE ARG A 106 10.377 0.882 6.038 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.668 1.174 8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.950 2.379 9.222 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.720 1.949 7.956 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.736 2.813 9.115 1.00 0.00 H new ATOM 487 N HIS A 107 5.853 -0.719 7.289 1.00 0.00 N ATOM 488 CA HIS A 107 5.136 -0.885 8.585 1.00 0.00 C ATOM 489 C HIS A 107 4.168 -2.071 8.509 1.00 0.00 C ATOM 490 O HIS A 107 3.885 -2.711 9.502 1.00 0.00 O ATOM 491 CB HIS A 107 4.355 0.400 8.891 1.00 0.00 C ATOM 492 CG HIS A 107 3.356 0.144 9.987 1.00 0.00 C ATOM 493 ND1 HIS A 107 3.737 -0.243 11.263 1.00 0.00 N ATOM 494 CD2 HIS A 107 1.984 0.213 10.010 1.00 0.00 C ATOM 495 CE1 HIS A 107 2.616 -0.392 11.993 1.00 0.00 C ATOM 496 NE2 HIS A 107 1.520 -0.125 11.279 1.00 0.00 N ATOM 0 H HIS A 107 5.712 0.181 6.830 1.00 0.00 H new ATOM 0 HA HIS A 107 5.861 -1.077 9.376 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.042 1.191 9.191 1.00 0.00 H new ATOM 0 HB3 HIS A 107 3.842 0.747 7.994 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.360 0.487 9.172 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.605 -0.691 13.031 1.00 0.00 H new ATOM 0 HE2 HIS A 107 0.551 -0.161 11.595 1.00 0.00 H new ATOM 504 N VAL A 108 3.647 -2.368 7.349 1.00 0.00 N ATOM 505 CA VAL A 108 2.693 -3.508 7.237 1.00 0.00 C ATOM 506 C VAL A 108 3.325 -4.648 6.444 1.00 0.00 C ATOM 507 O VAL A 108 3.265 -5.797 6.834 1.00 0.00 O ATOM 508 CB VAL A 108 1.418 -3.039 6.533 1.00 0.00 C ATOM 509 CG1 VAL A 108 0.480 -4.230 6.327 1.00 0.00 C ATOM 510 CG2 VAL A 108 0.717 -1.986 7.392 1.00 0.00 C ATOM 0 H VAL A 108 3.840 -1.873 6.478 1.00 0.00 H new ATOM 0 HA VAL A 108 2.449 -3.866 8.237 1.00 0.00 H new ATOM 0 HB VAL A 108 1.678 -2.607 5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.428 -3.895 5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.977 -4.983 5.714 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.222 -4.662 7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.191 -1.652 6.890 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.459 -2.418 8.359 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.383 -1.136 7.541 1.00 0.00 H new ATOM 520 N MET A 109 3.926 -4.340 5.339 1.00 0.00 N ATOM 521 CA MET A 109 4.561 -5.408 4.520 1.00 0.00 C ATOM 522 C MET A 109 5.505 -6.225 5.402 1.00 0.00 C ATOM 523 O MET A 109 5.362 -7.424 5.544 1.00 0.00 O ATOM 524 CB MET A 109 5.354 -4.771 3.378 1.00 0.00 C ATOM 525 CG MET A 109 4.434 -4.561 2.175 1.00 0.00 C ATOM 526 SD MET A 109 5.027 -5.552 0.780 1.00 0.00 S ATOM 527 CE MET A 109 4.622 -4.369 -0.528 1.00 0.00 C ATOM 0 H MET A 109 4.008 -3.395 4.963 1.00 0.00 H new ATOM 0 HA MET A 109 3.791 -6.059 4.107 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.773 -3.818 3.700 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.192 -5.411 3.101 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.414 -4.847 2.430 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.411 -3.506 1.901 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.191 -4.899 -1.377 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.903 -3.642 -0.151 1.00 0.00 H new ATOM 0 HE3 MET A 109 5.528 -3.852 -0.845 1.00 0.00 H new ATOM 537 N THR A 110 6.476 -5.583 5.987 1.00 0.00 N ATOM 538 CA THR A 110 7.440 -6.296 6.847 1.00 0.00 C ATOM 539 C THR A 110 6.955 -6.290 8.301 1.00 0.00 C ATOM 540 O THR A 110 7.699 -6.604 9.208 1.00 0.00 O ATOM 541 CB THR A 110 8.775 -5.566 6.751 1.00 0.00 C ATOM 542 OG1 THR A 110 8.667 -4.514 5.802 1.00 0.00 O ATOM 543 CG2 THR A 110 9.855 -6.541 6.305 1.00 0.00 C ATOM 0 H THR A 110 6.639 -4.580 5.900 1.00 0.00 H new ATOM 0 HA THR A 110 7.541 -7.332 6.522 1.00 0.00 H new ATOM 0 HB THR A 110 9.038 -5.155 7.726 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.561 -4.263 5.489 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.810 -6.020 6.236 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.935 -7.351 7.030 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.594 -6.951 5.329 1.00 0.00 H new ATOM 551 N ASN A 111 5.719 -5.931 8.535 1.00 0.00 N ATOM 552 CA ASN A 111 5.210 -5.908 9.936 1.00 0.00 C ATOM 553 C ASN A 111 5.677 -7.164 10.678 1.00 0.00 C ATOM 554 O ASN A 111 6.188 -7.090 11.778 1.00 0.00 O ATOM 555 CB ASN A 111 3.679 -5.850 9.925 1.00 0.00 C ATOM 556 CG ASN A 111 3.106 -7.223 9.565 1.00 0.00 C ATOM 557 OD1 ASN A 111 2.731 -8.030 10.518 1.00 0.00 O flip ATOM 558 ND2 ASN A 111 2.994 -7.562 8.403 1.00 0.00 N flip ATOM 0 H ASN A 111 5.045 -5.655 7.821 1.00 0.00 H new ATOM 0 HA ASN A 111 5.600 -5.027 10.447 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.312 -5.538 10.903 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.340 -5.105 9.205 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.287 -6.931 7.657 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.607 -8.477 8.174 1.00 0.00 H new ATOM 565 N LEU A 112 5.510 -8.318 10.088 1.00 0.00 N ATOM 566 CA LEU A 112 5.948 -9.570 10.771 1.00 0.00 C ATOM 567 C LEU A 112 6.298 -10.638 9.730 1.00 0.00 C ATOM 568 O LEU A 112 6.427 -11.804 10.047 1.00 0.00 O ATOM 569 CB LEU A 112 4.817 -10.086 11.659 1.00 0.00 C ATOM 570 CG LEU A 112 4.844 -9.355 13.002 1.00 0.00 C ATOM 571 CD1 LEU A 112 3.617 -9.749 13.827 1.00 0.00 C ATOM 572 CD2 LEU A 112 6.114 -9.740 13.765 1.00 0.00 C ATOM 0 H LEU A 112 5.091 -8.448 9.167 1.00 0.00 H new ATOM 0 HA LEU A 112 6.828 -9.356 11.378 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.856 -9.931 11.168 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.925 -11.159 11.816 1.00 0.00 H new ATOM 0 HG LEU A 112 4.833 -8.279 12.828 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.639 -9.227 14.783 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.711 -9.476 13.285 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.626 -10.825 14.001 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.135 -9.220 14.723 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.123 -10.816 13.936 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.989 -9.458 13.180 1.00 0.00 H new ATOM 584 N GLY A 113 6.458 -10.256 8.493 1.00 0.00 N ATOM 585 CA GLY A 113 6.804 -11.258 7.447 1.00 0.00 C ATOM 586 C GLY A 113 8.270 -11.088 7.056 1.00 0.00 C ATOM 587 O GLY A 113 8.859 -11.940 6.422 1.00 0.00 O ATOM 0 H GLY A 113 6.364 -9.296 8.162 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.629 -12.267 7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.165 -11.126 6.574 1.00 0.00 H new ATOM 591 N GLU A 114 8.863 -9.989 7.432 1.00 0.00 N ATOM 592 CA GLU A 114 10.293 -9.758 7.085 1.00 0.00 C ATOM 593 C GLU A 114 10.474 -9.900 5.573 1.00 0.00 C ATOM 594 O GLU A 114 11.519 -10.296 5.098 1.00 0.00 O ATOM 595 CB GLU A 114 11.170 -10.789 7.800 1.00 0.00 C ATOM 596 CG GLU A 114 10.882 -10.750 9.302 1.00 0.00 C ATOM 597 CD GLU A 114 11.601 -11.911 9.993 1.00 0.00 C ATOM 598 OE1 GLU A 114 11.232 -13.045 9.739 1.00 0.00 O ATOM 599 OE2 GLU A 114 12.508 -11.645 10.766 1.00 0.00 O ATOM 0 H GLU A 114 8.419 -9.241 7.965 1.00 0.00 H new ATOM 0 HA GLU A 114 10.585 -8.756 7.399 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.972 -11.786 7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 114 12.223 -10.577 7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 114 11.215 -9.801 9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.808 -10.817 9.479 1.00 0.00 H new ATOM 606 N LYS A 115 9.463 -9.580 4.813 1.00 0.00 N ATOM 607 CA LYS A 115 9.577 -9.697 3.333 1.00 0.00 C ATOM 608 C LYS A 115 10.342 -8.490 2.784 1.00 0.00 C ATOM 609 O LYS A 115 10.445 -7.473 3.435 1.00 0.00 O ATOM 610 CB LYS A 115 8.175 -9.743 2.718 1.00 0.00 C ATOM 611 CG LYS A 115 8.045 -10.989 1.838 1.00 0.00 C ATOM 612 CD LYS A 115 7.423 -12.127 2.649 1.00 0.00 C ATOM 613 CE LYS A 115 8.497 -13.165 2.981 1.00 0.00 C ATOM 614 NZ LYS A 115 7.944 -14.534 2.779 1.00 0.00 N ATOM 0 H LYS A 115 8.563 -9.242 5.154 1.00 0.00 H new ATOM 0 HA LYS A 115 10.114 -10.610 3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.421 -9.760 3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 115 7.996 -8.846 2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 115 7.427 -10.769 0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 115 9.025 -11.288 1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 115 6.984 -11.736 3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.616 -12.592 2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 115 9.370 -13.017 2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.829 -13.044 4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.674 -15.240 3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.124 -14.673 3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.648 -14.646 1.788 1.00 0.00 H new ATOM 628 N LEU A 116 10.863 -8.606 1.586 1.00 0.00 N ATOM 629 CA LEU A 116 11.627 -7.489 0.949 1.00 0.00 C ATOM 630 C LEU A 116 12.370 -6.649 1.998 1.00 0.00 C ATOM 631 O LEU A 116 12.665 -7.106 3.084 1.00 0.00 O ATOM 632 CB LEU A 116 10.656 -6.620 0.142 1.00 0.00 C ATOM 633 CG LEU A 116 9.520 -6.107 1.033 1.00 0.00 C ATOM 634 CD1 LEU A 116 10.048 -5.036 1.990 1.00 0.00 C ATOM 635 CD2 LEU A 116 8.425 -5.499 0.148 1.00 0.00 C ATOM 0 H LEU A 116 10.789 -9.446 1.012 1.00 0.00 H new ATOM 0 HA LEU A 116 12.382 -7.908 0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.191 -5.777 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.244 -7.198 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 116 9.115 -6.936 1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 116 9.234 -4.677 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.831 -5.463 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 116 10.456 -4.204 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.613 -5.132 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.840 -4.673 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.043 -6.260 -0.532 1.00 0.00 H new ATOM 647 N THR A 117 12.688 -5.425 1.670 1.00 0.00 N ATOM 648 CA THR A 117 13.415 -4.553 2.631 1.00 0.00 C ATOM 649 C THR A 117 13.062 -3.091 2.340 1.00 0.00 C ATOM 650 O THR A 117 12.081 -2.800 1.689 1.00 0.00 O ATOM 651 CB THR A 117 14.925 -4.772 2.490 1.00 0.00 C ATOM 652 OG1 THR A 117 15.578 -4.306 3.662 1.00 0.00 O ATOM 653 CG2 THR A 117 15.450 -4.009 1.277 1.00 0.00 C ATOM 0 H THR A 117 12.473 -4.992 0.772 1.00 0.00 H new ATOM 0 HA THR A 117 13.122 -4.801 3.651 1.00 0.00 H new ATOM 0 HB THR A 117 15.124 -5.835 2.356 1.00 0.00 H new ATOM 0 HG1 THR A 117 16.544 -4.446 3.576 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.524 -4.169 1.183 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.950 -4.367 0.377 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.252 -2.945 1.403 1.00 0.00 H new ATOM 661 N ASP A 118 13.852 -2.169 2.815 1.00 0.00 N ATOM 662 CA ASP A 118 13.550 -0.733 2.560 1.00 0.00 C ATOM 663 C ASP A 118 14.004 -0.341 1.152 1.00 0.00 C ATOM 664 O ASP A 118 13.258 0.243 0.390 1.00 0.00 O ATOM 665 CB ASP A 118 14.282 0.126 3.587 1.00 0.00 C ATOM 666 CG ASP A 118 13.388 0.333 4.811 1.00 0.00 C ATOM 667 OD1 ASP A 118 13.444 -0.494 5.705 1.00 0.00 O ATOM 668 OD2 ASP A 118 12.662 1.313 4.831 1.00 0.00 O ATOM 0 H ASP A 118 14.691 -2.347 3.367 1.00 0.00 H new ATOM 0 HA ASP A 118 12.475 -0.574 2.643 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.214 -0.356 3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.546 1.089 3.149 1.00 0.00 H new ATOM 673 N GLU A 119 15.220 -0.652 0.799 1.00 0.00 N ATOM 674 CA GLU A 119 15.715 -0.290 -0.560 1.00 0.00 C ATOM 675 C GLU A 119 14.964 -1.105 -1.614 1.00 0.00 C ATOM 676 O GLU A 119 15.022 -0.816 -2.793 1.00 0.00 O ATOM 677 CB GLU A 119 17.213 -0.579 -0.655 1.00 0.00 C ATOM 678 CG GLU A 119 17.984 0.742 -0.699 1.00 0.00 C ATOM 679 CD GLU A 119 19.466 0.463 -0.949 1.00 0.00 C ATOM 680 OE1 GLU A 119 19.833 0.301 -2.101 1.00 0.00 O ATOM 681 OE2 GLU A 119 20.212 0.416 0.018 1.00 0.00 O ATOM 0 H GLU A 119 15.892 -1.140 1.391 1.00 0.00 H new ATOM 0 HA GLU A 119 15.542 0.772 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.535 -1.172 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.425 -1.167 -1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 119 17.586 1.381 -1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.858 1.280 0.241 1.00 0.00 H new ATOM 688 N GLU A 120 14.256 -2.118 -1.201 1.00 0.00 N ATOM 689 CA GLU A 120 13.500 -2.947 -2.180 1.00 0.00 C ATOM 690 C GLU A 120 12.041 -2.479 -2.219 1.00 0.00 C ATOM 691 O GLU A 120 11.402 -2.498 -3.250 1.00 0.00 O ATOM 692 CB GLU A 120 13.565 -4.419 -1.761 1.00 0.00 C ATOM 693 CG GLU A 120 12.493 -5.214 -2.508 1.00 0.00 C ATOM 694 CD GLU A 120 12.902 -6.686 -2.578 1.00 0.00 C ATOM 695 OE1 GLU A 120 13.835 -6.988 -3.304 1.00 0.00 O ATOM 696 OE2 GLU A 120 12.275 -7.488 -1.905 1.00 0.00 O ATOM 0 H GLU A 120 14.168 -2.408 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 120 13.940 -2.839 -3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 120 14.552 -4.826 -1.979 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.414 -4.508 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.533 -5.116 -2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 120 12.364 -4.814 -3.514 1.00 0.00 H new ATOM 703 N VAL A 121 11.514 -2.062 -1.102 1.00 0.00 N ATOM 704 CA VAL A 121 10.100 -1.588 -1.068 1.00 0.00 C ATOM 705 C VAL A 121 9.868 -0.576 -2.197 1.00 0.00 C ATOM 706 O VAL A 121 8.938 -0.699 -2.970 1.00 0.00 O ATOM 707 CB VAL A 121 9.821 -0.918 0.288 1.00 0.00 C ATOM 708 CG1 VAL A 121 8.584 -0.019 0.188 1.00 0.00 C ATOM 709 CG2 VAL A 121 9.569 -1.996 1.339 1.00 0.00 C ATOM 0 H VAL A 121 12.003 -2.028 -0.207 1.00 0.00 H new ATOM 0 HA VAL A 121 9.429 -2.436 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 121 10.683 -0.313 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.396 0.450 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.755 0.752 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.720 -0.619 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.371 -1.526 2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.709 -2.597 1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.447 -2.636 1.422 1.00 0.00 H new ATOM 719 N ASP A 122 10.700 0.427 -2.290 1.00 0.00 N ATOM 720 CA ASP A 122 10.527 1.455 -3.359 1.00 0.00 C ATOM 721 C ASP A 122 10.143 0.776 -4.673 1.00 0.00 C ATOM 722 O ASP A 122 9.344 1.284 -5.429 1.00 0.00 O ATOM 723 CB ASP A 122 11.840 2.218 -3.543 1.00 0.00 C ATOM 724 CG ASP A 122 11.657 3.670 -3.097 1.00 0.00 C ATOM 725 OD1 ASP A 122 11.775 3.922 -1.910 1.00 0.00 O ATOM 726 OD2 ASP A 122 11.404 4.503 -3.950 1.00 0.00 O ATOM 0 H ASP A 122 11.495 0.580 -1.670 1.00 0.00 H new ATOM 0 HA ASP A 122 9.737 2.148 -3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.631 1.745 -2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.149 2.184 -4.588 1.00 0.00 H new ATOM 731 N GLU A 123 10.703 -0.368 -4.949 1.00 0.00 N ATOM 732 CA GLU A 123 10.360 -1.078 -6.214 1.00 0.00 C ATOM 733 C GLU A 123 8.910 -1.562 -6.141 1.00 0.00 C ATOM 734 O GLU A 123 8.090 -1.219 -6.968 1.00 0.00 O ATOM 735 CB GLU A 123 11.291 -2.277 -6.400 1.00 0.00 C ATOM 736 CG GLU A 123 11.071 -2.881 -7.788 1.00 0.00 C ATOM 737 CD GLU A 123 10.726 -4.365 -7.653 1.00 0.00 C ATOM 738 OE1 GLU A 123 11.646 -5.162 -7.577 1.00 0.00 O ATOM 739 OE2 GLU A 123 9.546 -4.678 -7.632 1.00 0.00 O ATOM 0 H GLU A 123 11.383 -0.842 -4.355 1.00 0.00 H new ATOM 0 HA GLU A 123 10.478 -0.398 -7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.330 -1.966 -6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 123 11.097 -3.025 -5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 123 10.266 -2.355 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 123 11.968 -2.760 -8.395 1.00 0.00 H new ATOM 746 N MET A 124 8.583 -2.351 -5.152 1.00 0.00 N ATOM 747 CA MET A 124 7.185 -2.844 -5.026 1.00 0.00 C ATOM 748 C MET A 124 6.223 -1.659 -5.134 1.00 0.00 C ATOM 749 O MET A 124 5.065 -1.811 -5.469 1.00 0.00 O ATOM 750 CB MET A 124 7.016 -3.536 -3.677 1.00 0.00 C ATOM 751 CG MET A 124 7.574 -4.955 -3.771 1.00 0.00 C ATOM 752 SD MET A 124 9.107 -5.070 -2.818 1.00 0.00 S ATOM 753 CE MET A 124 9.453 -6.813 -3.160 1.00 0.00 C ATOM 0 H MET A 124 9.225 -2.674 -4.428 1.00 0.00 H new ATOM 0 HA MET A 124 6.966 -3.556 -5.822 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.537 -2.977 -2.900 1.00 0.00 H new ATOM 0 HB3 MET A 124 5.963 -3.564 -3.398 1.00 0.00 H new ATOM 0 HG2 MET A 124 6.844 -5.669 -3.391 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.762 -5.214 -4.813 1.00 0.00 H new ATOM 0 HE1 MET A 124 9.241 -7.407 -2.271 1.00 0.00 H new ATOM 0 HE2 MET A 124 8.825 -7.154 -3.983 1.00 0.00 H new ATOM 0 HE3 MET A 124 10.502 -6.929 -3.432 1.00 0.00 H new ATOM 763 N ILE A 125 6.704 -0.479 -4.853 1.00 0.00 N ATOM 764 CA ILE A 125 5.844 0.727 -4.937 1.00 0.00 C ATOM 765 C ILE A 125 5.818 1.244 -6.377 1.00 0.00 C ATOM 766 O ILE A 125 4.806 1.697 -6.873 1.00 0.00 O ATOM 767 CB ILE A 125 6.421 1.809 -4.027 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.328 1.338 -2.568 1.00 0.00 C ATOM 769 CG2 ILE A 125 5.628 3.107 -4.220 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.323 2.540 -1.617 1.00 0.00 C ATOM 0 H ILE A 125 7.667 -0.301 -4.566 1.00 0.00 H new ATOM 0 HA ILE A 125 4.830 0.475 -4.626 1.00 0.00 H new ATOM 0 HB ILE A 125 7.466 1.993 -4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.421 0.750 -2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.170 0.686 -2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.036 3.883 -3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 125 5.701 3.427 -5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.582 2.936 -3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.257 2.189 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.242 3.111 -1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.466 3.176 -1.839 1.00 0.00 H new ATOM 782 N ARG A 126 6.936 1.189 -7.042 1.00 0.00 N ATOM 783 CA ARG A 126 7.006 1.685 -8.445 1.00 0.00 C ATOM 784 C ARG A 126 6.065 0.866 -9.340 1.00 0.00 C ATOM 785 O ARG A 126 5.522 1.365 -10.306 1.00 0.00 O ATOM 786 CB ARG A 126 8.460 1.582 -8.944 1.00 0.00 C ATOM 787 CG ARG A 126 8.685 0.278 -9.726 1.00 0.00 C ATOM 788 CD ARG A 126 10.186 -0.021 -9.825 1.00 0.00 C ATOM 789 NE ARG A 126 10.965 1.247 -9.727 1.00 0.00 N ATOM 790 CZ ARG A 126 11.768 1.595 -10.695 1.00 0.00 C ATOM 791 NH1 ARG A 126 12.964 1.079 -10.767 1.00 0.00 N ATOM 792 NH2 ARG A 126 11.373 2.457 -11.591 1.00 0.00 N ATOM 0 H ARG A 126 7.812 0.819 -6.672 1.00 0.00 H new ATOM 0 HA ARG A 126 6.689 2.727 -8.484 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.691 2.436 -9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.143 1.623 -8.095 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.173 -0.547 -9.229 1.00 0.00 H new ATOM 0 HG3 ARG A 126 8.256 0.364 -10.724 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.483 -0.703 -9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.405 -0.520 -10.769 1.00 0.00 H new ATOM 0 HE ARG A 126 10.870 1.842 -8.904 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.271 0.404 -10.067 1.00 0.00 H new ATOM 0 HH12 ARG A 126 13.592 1.351 -11.523 1.00 0.00 H new ATOM 0 HH21 ARG A 126 10.437 2.859 -11.535 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.000 2.729 -12.348 1.00 0.00 H new ATOM 806 N GLU A 127 5.866 -0.386 -9.026 1.00 0.00 N ATOM 807 CA GLU A 127 4.961 -1.225 -9.860 1.00 0.00 C ATOM 808 C GLU A 127 3.531 -1.083 -9.344 1.00 0.00 C ATOM 809 O GLU A 127 2.587 -1.529 -9.965 1.00 0.00 O ATOM 810 CB GLU A 127 5.396 -2.690 -9.773 1.00 0.00 C ATOM 811 CG GLU A 127 5.412 -3.134 -8.309 1.00 0.00 C ATOM 812 CD GLU A 127 5.075 -4.624 -8.225 1.00 0.00 C ATOM 813 OE1 GLU A 127 5.474 -5.353 -9.117 1.00 0.00 O ATOM 814 OE2 GLU A 127 4.423 -5.011 -7.268 1.00 0.00 O ATOM 0 H GLU A 127 6.290 -0.862 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 127 5.010 -0.898 -10.899 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.713 -3.317 -10.346 1.00 0.00 H new ATOM 0 HB3 GLU A 127 6.386 -2.813 -10.212 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.393 -2.947 -7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.690 -2.554 -7.734 1.00 0.00 H new ATOM 821 N ALA A 128 3.366 -0.457 -8.213 1.00 0.00 N ATOM 822 CA ALA A 128 2.003 -0.277 -7.652 1.00 0.00 C ATOM 823 C ALA A 128 1.522 1.143 -7.955 1.00 0.00 C ATOM 824 O ALA A 128 0.356 1.456 -7.826 1.00 0.00 O ATOM 825 CB ALA A 128 2.049 -0.494 -6.140 1.00 0.00 C ATOM 0 H ALA A 128 4.121 -0.061 -7.652 1.00 0.00 H new ATOM 0 HA ALA A 128 1.317 -0.997 -8.099 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.050 -0.363 -5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.401 -1.503 -5.928 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.728 0.229 -5.689 1.00 0.00 H new ATOM 831 N ASP A 129 2.418 2.004 -8.359 1.00 0.00 N ATOM 832 CA ASP A 129 2.021 3.404 -8.672 1.00 0.00 C ATOM 833 C ASP A 129 1.694 3.522 -10.160 1.00 0.00 C ATOM 834 O ASP A 129 2.033 2.665 -10.952 1.00 0.00 O ATOM 835 CB ASP A 129 3.176 4.349 -8.337 1.00 0.00 C ATOM 836 CG ASP A 129 3.615 4.124 -6.890 1.00 0.00 C ATOM 837 OD1 ASP A 129 2.995 3.311 -6.225 1.00 0.00 O ATOM 838 OD2 ASP A 129 4.564 4.767 -6.472 1.00 0.00 O ATOM 0 H ASP A 129 3.409 1.796 -8.485 1.00 0.00 H new ATOM 0 HA ASP A 129 1.145 3.670 -8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.012 4.173 -9.014 1.00 0.00 H new ATOM 0 HB3 ASP A 129 2.865 5.384 -8.477 1.00 0.00 H new ATOM 843 N ILE A 130 1.035 4.579 -10.547 1.00 0.00 N ATOM 844 CA ILE A 130 0.685 4.758 -11.979 1.00 0.00 C ATOM 845 C ILE A 130 1.846 5.429 -12.709 1.00 0.00 C ATOM 846 O ILE A 130 2.328 4.944 -13.714 1.00 0.00 O ATOM 847 CB ILE A 130 -0.555 5.641 -12.077 1.00 0.00 C ATOM 848 CG1 ILE A 130 -1.673 5.039 -11.226 1.00 0.00 C ATOM 849 CG2 ILE A 130 -1.009 5.732 -13.535 1.00 0.00 C ATOM 850 CD1 ILE A 130 -2.739 6.104 -10.962 1.00 0.00 C ATOM 0 H ILE A 130 0.724 5.328 -9.929 1.00 0.00 H new ATOM 0 HA ILE A 130 0.487 3.788 -12.435 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.319 6.641 -11.713 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -2.115 4.185 -11.738 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -1.269 4.671 -10.283 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.895 6.363 -13.601 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.210 6.163 -14.139 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -1.246 4.735 -13.905 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -3.537 5.677 -10.355 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -2.290 6.944 -10.432 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -3.150 6.451 -11.910 1.00 0.00 H new ATOM 862 N ASP A 131 2.293 6.544 -12.211 1.00 0.00 N ATOM 863 CA ASP A 131 3.422 7.260 -12.873 1.00 0.00 C ATOM 864 C ASP A 131 4.729 6.510 -12.615 1.00 0.00 C ATOM 865 O ASP A 131 5.512 6.283 -13.515 1.00 0.00 O ATOM 866 CB ASP A 131 3.528 8.680 -12.312 1.00 0.00 C ATOM 867 CG ASP A 131 2.127 9.247 -12.079 1.00 0.00 C ATOM 868 OD1 ASP A 131 1.290 9.083 -12.952 1.00 0.00 O ATOM 869 OD2 ASP A 131 1.913 9.835 -11.031 1.00 0.00 O ATOM 0 H ASP A 131 1.927 6.994 -11.372 1.00 0.00 H new ATOM 0 HA ASP A 131 3.238 7.307 -13.946 1.00 0.00 H new ATOM 0 HB2 ASP A 131 4.088 8.671 -11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 131 4.077 9.316 -13.006 1.00 0.00 H new ATOM 874 N GLY A 132 4.974 6.120 -11.393 1.00 0.00 N ATOM 875 CA GLY A 132 6.234 5.385 -11.088 1.00 0.00 C ATOM 876 C GLY A 132 7.194 6.303 -10.328 1.00 0.00 C ATOM 877 O GLY A 132 8.400 6.183 -10.439 1.00 0.00 O ATOM 0 H GLY A 132 4.358 6.278 -10.596 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.015 4.499 -10.493 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.699 5.041 -12.012 1.00 0.00 H new ATOM 881 N ASP A 133 6.673 7.216 -9.556 1.00 0.00 N ATOM 882 CA ASP A 133 7.559 8.139 -8.787 1.00 0.00 C ATOM 883 C ASP A 133 8.075 7.431 -7.539 1.00 0.00 C ATOM 884 O ASP A 133 9.108 7.768 -6.995 1.00 0.00 O ATOM 885 CB ASP A 133 6.776 9.380 -8.369 1.00 0.00 C ATOM 886 CG ASP A 133 5.375 8.979 -7.908 1.00 0.00 C ATOM 887 OD1 ASP A 133 5.223 8.672 -6.737 1.00 0.00 O ATOM 888 OD2 ASP A 133 4.476 8.990 -8.732 1.00 0.00 O ATOM 0 H ASP A 133 5.673 7.364 -9.423 1.00 0.00 H new ATOM 0 HA ASP A 133 8.398 8.433 -9.417 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.299 9.897 -7.565 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.708 10.077 -9.205 1.00 0.00 H new ATOM 893 N GLY A 134 7.352 6.457 -7.081 1.00 0.00 N ATOM 894 CA GLY A 134 7.776 5.713 -5.860 1.00 0.00 C ATOM 895 C GLY A 134 6.821 6.046 -4.714 1.00 0.00 C ATOM 896 O GLY A 134 7.114 5.817 -3.557 1.00 0.00 O ATOM 0 H GLY A 134 6.478 6.138 -7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.772 4.640 -6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.797 5.984 -5.590 1.00 0.00 H new ATOM 900 N GLN A 135 5.677 6.587 -5.030 1.00 0.00 N ATOM 901 CA GLN A 135 4.694 6.943 -3.969 1.00 0.00 C ATOM 902 C GLN A 135 3.332 6.345 -4.324 1.00 0.00 C ATOM 903 O GLN A 135 2.982 6.225 -5.481 1.00 0.00 O ATOM 904 CB GLN A 135 4.569 8.464 -3.882 1.00 0.00 C ATOM 905 CG GLN A 135 5.039 8.938 -2.506 1.00 0.00 C ATOM 906 CD GLN A 135 5.190 10.459 -2.517 1.00 0.00 C ATOM 907 OE1 GLN A 135 4.500 11.165 -3.371 1.00 0.00 O flip ATOM 908 NE2 GLN A 135 5.944 11.012 -1.741 1.00 0.00 N flip ATOM 0 H GLN A 135 5.380 6.799 -5.982 1.00 0.00 H new ATOM 0 HA GLN A 135 5.031 6.549 -3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 135 5.166 8.934 -4.663 1.00 0.00 H new ATOM 0 HB3 GLN A 135 3.534 8.764 -4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 135 4.322 8.638 -1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.990 8.469 -2.253 1.00 0.00 H new ATOM 0 HE21 GLN A 135 6.483 10.461 -1.074 1.00 0.00 H new ATOM 0 HE22 GLN A 135 6.038 12.028 -1.757 1.00 0.00 H new ATOM 917 N VAL A 136 2.557 5.969 -3.343 1.00 0.00 N ATOM 918 CA VAL A 136 1.226 5.381 -3.643 1.00 0.00 C ATOM 919 C VAL A 136 0.128 6.304 -3.116 1.00 0.00 C ATOM 920 O VAL A 136 0.372 7.184 -2.319 1.00 0.00 O ATOM 921 CB VAL A 136 1.113 4.023 -2.949 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.306 3.478 -3.121 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.116 3.045 -3.569 1.00 0.00 C ATOM 0 H VAL A 136 2.789 6.044 -2.353 1.00 0.00 H new ATOM 0 HA VAL A 136 1.115 5.261 -4.721 1.00 0.00 H new ATOM 0 HB VAL A 136 1.331 4.140 -1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.386 2.510 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -1.019 4.173 -2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.525 3.362 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.035 2.078 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.901 2.928 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.127 3.433 -3.444 1.00 0.00 H new ATOM 933 N ASN A 137 -1.083 6.093 -3.540 1.00 0.00 N ATOM 934 CA ASN A 137 -2.203 6.934 -3.043 1.00 0.00 C ATOM 935 C ASN A 137 -3.413 6.021 -2.835 1.00 0.00 C ATOM 936 O ASN A 137 -3.290 4.814 -2.852 1.00 0.00 O ATOM 937 CB ASN A 137 -2.500 8.075 -4.041 1.00 0.00 C ATOM 938 CG ASN A 137 -3.778 7.814 -4.845 1.00 0.00 C ATOM 939 OD1 ASN A 137 -4.064 6.695 -5.207 1.00 0.00 O ATOM 940 ND2 ASN A 137 -4.563 8.814 -5.138 1.00 0.00 N ATOM 0 H ASN A 137 -1.347 5.372 -4.212 1.00 0.00 H new ATOM 0 HA ASN A 137 -1.946 7.409 -2.096 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.598 9.015 -3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -1.658 8.188 -4.724 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.417 8.653 -5.672 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.323 9.757 -4.833 1.00 0.00 H new ATOM 947 N TYR A 138 -4.572 6.566 -2.630 1.00 0.00 N ATOM 948 CA TYR A 138 -5.751 5.686 -2.411 1.00 0.00 C ATOM 949 C TYR A 138 -6.067 4.881 -3.674 1.00 0.00 C ATOM 950 O TYR A 138 -6.198 3.675 -3.629 1.00 0.00 O ATOM 951 CB TYR A 138 -6.966 6.526 -2.039 1.00 0.00 C ATOM 952 CG TYR A 138 -8.150 5.608 -1.929 1.00 0.00 C ATOM 953 CD1 TYR A 138 -8.095 4.540 -1.035 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.284 5.806 -2.722 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.176 3.661 -0.927 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.370 4.929 -2.614 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.316 3.855 -1.715 1.00 0.00 C ATOM 958 OH TYR A 138 -11.384 2.989 -1.611 1.00 0.00 O ATOM 0 H TYR A 138 -4.757 7.569 -2.604 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.515 4.998 -1.599 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.796 7.044 -1.095 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.146 7.291 -2.794 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.216 4.392 -0.425 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.322 6.633 -3.416 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.132 2.832 -0.236 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.249 5.080 -3.223 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.093 3.268 -2.227 1.00 0.00 H new ATOM 968 N GLU A 139 -6.209 5.531 -4.794 1.00 0.00 N ATOM 969 CA GLU A 139 -6.537 4.792 -6.047 1.00 0.00 C ATOM 970 C GLU A 139 -5.457 3.743 -6.340 1.00 0.00 C ATOM 971 O GLU A 139 -5.728 2.562 -6.409 1.00 0.00 O ATOM 972 CB GLU A 139 -6.620 5.781 -7.212 1.00 0.00 C ATOM 973 CG GLU A 139 -8.072 6.226 -7.400 1.00 0.00 C ATOM 974 CD GLU A 139 -8.108 7.686 -7.856 1.00 0.00 C ATOM 975 OE1 GLU A 139 -7.207 8.422 -7.489 1.00 0.00 O ATOM 976 OE2 GLU A 139 -9.036 8.042 -8.563 1.00 0.00 O ATOM 0 H GLU A 139 -6.113 6.541 -4.898 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.495 4.288 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -5.986 6.645 -7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -6.250 5.316 -8.125 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.564 5.592 -8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.621 6.113 -6.465 1.00 0.00 H new ATOM 983 N GLU A 140 -4.238 4.167 -6.522 1.00 0.00 N ATOM 984 CA GLU A 140 -3.140 3.204 -6.817 1.00 0.00 C ATOM 985 C GLU A 140 -3.120 2.084 -5.770 1.00 0.00 C ATOM 986 O GLU A 140 -2.877 0.936 -6.086 1.00 0.00 O ATOM 987 CB GLU A 140 -1.799 3.944 -6.797 1.00 0.00 C ATOM 988 CG GLU A 140 -1.954 5.306 -7.477 1.00 0.00 C ATOM 989 CD GLU A 140 -0.579 5.818 -7.910 1.00 0.00 C ATOM 990 OE1 GLU A 140 0.394 5.452 -7.274 1.00 0.00 O ATOM 991 OE2 GLU A 140 -0.524 6.566 -8.873 1.00 0.00 O ATOM 0 H GLU A 140 -3.953 5.145 -6.479 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.307 2.765 -7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.460 4.076 -5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.039 3.354 -7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.611 5.220 -8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.419 6.015 -6.793 1.00 0.00 H new ATOM 998 N PHE A 141 -3.365 2.402 -4.526 1.00 0.00 N ATOM 999 CA PHE A 141 -3.346 1.346 -3.470 1.00 0.00 C ATOM 1000 C PHE A 141 -4.543 0.410 -3.651 1.00 0.00 C ATOM 1001 O PHE A 141 -4.494 -0.749 -3.297 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.420 2.006 -2.090 1.00 0.00 C ATOM 1003 CG PHE A 141 -3.760 0.968 -1.043 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -2.744 0.192 -0.472 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -5.092 0.782 -0.643 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -3.057 -0.769 0.496 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -5.403 -0.179 0.325 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.386 -0.955 0.895 1.00 0.00 C ATOM 0 H PHE A 141 -3.577 3.344 -4.196 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.424 0.771 -3.553 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.467 2.478 -1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.174 2.793 -2.093 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -1.718 0.335 -0.779 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -5.877 1.380 -1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.273 -1.368 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.428 -0.323 0.633 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.627 -1.697 1.642 1.00 0.00 H new ATOM 1018 N VAL A 142 -5.617 0.911 -4.186 1.00 0.00 N ATOM 1019 CA VAL A 142 -6.823 0.058 -4.378 1.00 0.00 C ATOM 1020 C VAL A 142 -6.537 -1.019 -5.428 1.00 0.00 C ATOM 1021 O VAL A 142 -6.963 -2.150 -5.302 1.00 0.00 O ATOM 1022 CB VAL A 142 -7.985 0.929 -4.853 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -9.224 0.058 -5.044 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.275 2.010 -3.810 1.00 0.00 C ATOM 0 H VAL A 142 -5.714 1.877 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.080 -0.420 -3.433 1.00 0.00 H new ATOM 0 HB VAL A 142 -7.722 1.402 -5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.055 0.677 -5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.017 -0.711 -5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -9.486 -0.415 -4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.104 2.631 -4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -8.538 1.540 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -7.389 2.631 -3.673 1.00 0.00 H new ATOM 1034 N GLN A 143 -5.830 -0.673 -6.467 1.00 0.00 N ATOM 1035 CA GLN A 143 -5.527 -1.673 -7.531 1.00 0.00 C ATOM 1036 C GLN A 143 -4.659 -2.800 -6.966 1.00 0.00 C ATOM 1037 O GLN A 143 -4.748 -3.932 -7.394 1.00 0.00 O ATOM 1038 CB GLN A 143 -4.781 -0.984 -8.675 1.00 0.00 C ATOM 1039 CG GLN A 143 -5.593 0.215 -9.166 1.00 0.00 C ATOM 1040 CD GLN A 143 -6.639 -0.258 -10.177 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -7.796 0.102 -10.085 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -6.280 -1.057 -11.145 1.00 0.00 N ATOM 0 H GLN A 143 -5.448 0.259 -6.626 1.00 0.00 H new ATOM 0 HA GLN A 143 -6.462 -2.095 -7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.798 -0.657 -8.337 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -4.619 -1.686 -9.493 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -6.081 0.707 -8.324 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -4.933 0.951 -9.626 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -5.309 -1.360 -11.223 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -6.970 -1.379 -11.823 1.00 0.00 H new ATOM 1051 N MET A 144 -3.816 -2.504 -6.016 1.00 0.00 N ATOM 1052 CA MET A 144 -2.942 -3.568 -5.442 1.00 0.00 C ATOM 1053 C MET A 144 -3.639 -4.234 -4.252 1.00 0.00 C ATOM 1054 O MET A 144 -3.313 -5.341 -3.870 1.00 0.00 O ATOM 1055 CB MET A 144 -1.624 -2.945 -4.976 1.00 0.00 C ATOM 1056 CG MET A 144 -0.698 -4.042 -4.450 1.00 0.00 C ATOM 1057 SD MET A 144 -0.760 -4.067 -2.641 1.00 0.00 S ATOM 1058 CE MET A 144 0.192 -2.554 -2.362 1.00 0.00 C ATOM 0 H MET A 144 -3.694 -1.575 -5.613 1.00 0.00 H new ATOM 0 HA MET A 144 -2.745 -4.320 -6.206 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.147 -2.417 -5.802 1.00 0.00 H new ATOM 0 HB3 MET A 144 -1.814 -2.209 -4.195 1.00 0.00 H new ATOM 0 HG2 MET A 144 -1.001 -5.010 -4.848 1.00 0.00 H new ATOM 0 HG3 MET A 144 0.323 -3.864 -4.787 1.00 0.00 H new ATOM 0 HE1 MET A 144 0.924 -2.725 -1.573 1.00 0.00 H new ATOM 0 HE2 MET A 144 0.708 -2.274 -3.281 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.481 -1.750 -2.064 1.00 0.00 H new ATOM 1068 N MET A 145 -4.589 -3.569 -3.656 1.00 0.00 N ATOM 1069 CA MET A 145 -5.292 -4.163 -2.490 1.00 0.00 C ATOM 1070 C MET A 145 -6.329 -5.182 -2.970 1.00 0.00 C ATOM 1071 O MET A 145 -6.297 -6.338 -2.597 1.00 0.00 O ATOM 1072 CB MET A 145 -5.989 -3.055 -1.693 1.00 0.00 C ATOM 1073 CG MET A 145 -6.018 -3.435 -0.212 1.00 0.00 C ATOM 1074 SD MET A 145 -7.223 -4.761 0.048 1.00 0.00 S ATOM 1075 CE MET A 145 -6.035 -6.109 0.264 1.00 0.00 C ATOM 0 H MET A 145 -4.908 -2.639 -3.928 1.00 0.00 H new ATOM 0 HA MET A 145 -4.566 -4.667 -1.852 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.463 -2.110 -1.827 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.004 -2.910 -2.062 1.00 0.00 H new ATOM 0 HG2 MET A 145 -5.029 -3.760 0.110 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.281 -2.567 0.392 1.00 0.00 H new ATOM 0 HE1 MET A 145 -6.427 -7.017 -0.195 1.00 0.00 H new ATOM 0 HE2 MET A 145 -5.091 -5.841 -0.210 1.00 0.00 H new ATOM 0 HE3 MET A 145 -5.871 -6.282 1.328 1.00 0.00 H new ATOM 1085 N THR A 146 -7.255 -4.761 -3.788 1.00 0.00 N ATOM 1086 CA THR A 146 -8.300 -5.690 -4.286 1.00 0.00 C ATOM 1087 C THR A 146 -8.009 -6.039 -5.755 1.00 0.00 C ATOM 1088 O THR A 146 -8.838 -6.597 -6.444 1.00 0.00 O ATOM 1089 CB THR A 146 -9.653 -4.979 -4.146 1.00 0.00 C ATOM 1090 OG1 THR A 146 -10.130 -5.138 -2.817 1.00 0.00 O ATOM 1091 CG2 THR A 146 -10.672 -5.559 -5.118 1.00 0.00 C ATOM 0 H THR A 146 -7.330 -3.804 -4.133 1.00 0.00 H new ATOM 0 HA THR A 146 -8.313 -6.619 -3.716 1.00 0.00 H new ATOM 0 HB THR A 146 -9.517 -3.922 -4.374 1.00 0.00 H new ATOM 0 HG1 THR A 146 -10.935 -5.697 -2.823 1.00 0.00 H new ATOM 0 HG21 THR A 146 -11.623 -5.040 -5.001 1.00 0.00 H new ATOM 0 HG22 THR A 146 -10.313 -5.433 -6.139 1.00 0.00 H new ATOM 0 HG23 THR A 146 -10.810 -6.620 -4.910 1.00 0.00 H new