USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 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: C 98 SER OG : rot 83:sc= 1.8 USER MOD Set 1.2: C 150 TYR OH : rot 30:sc= 1.11 USER MOD Single : C 103 MET CE :methyl -135:sc= -0.195 (180deg=-1.07) USER MOD Single : C 106 LYS NZ :NH3+ -119:sc= 0.992 (180deg=-1.39) USER MOD Single : C 107 ASN : amide:sc= 0.439 X(o=0.44,f=-0.012) USER MOD Single : C 111 TYR OH : rot 180:sc= 0 USER MOD Single : C 118 LYS NZ :NH3+ 144:sc= 1.13 (180deg=-0.0766) USER MOD Single : C 120 MET CE :methyl -148:sc= -0.504 (180deg=-2.05!) USER MOD Single : C 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 124 THR OG1 : rot 103:sc= 1.22 USER MOD Single : C 127 THR OG1 : rot 180:sc= 0.158 USER MOD Single : C 129 THR OG1 : rot 129:sc= 0.546 USER MOD Single : C 137 MET CE :methyl -163:sc= -2.42 (180deg=-2.92!) USER MOD Single : C 138 LYS NZ :NH3+ 175:sc= 1.02 (180deg=0.905) USER MOD Single : C 142 LYS NZ :NH3+ -172:sc= 0.796 (180deg=0.488) USER MOD Single : C 143 ASN : amide:sc= -0.0357 X(o=-0.036,f=-0.028) USER MOD Single : C 144 ASN : amide:sc= 0.232 X(o=0.23,f=-0.21) USER MOD Single : C 157 MET CE :methyl -133:sc= -12.5! (180deg=-17.4!) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU C 94 7.171 -4.636 -8.818 1.00 0.00 N ATOM 61 CA GLU C 94 7.143 -4.226 -10.257 1.00 0.00 C ATOM 62 C GLU C 94 7.274 -2.677 -10.362 1.00 0.00 C ATOM 63 O GLU C 94 7.719 -2.140 -11.377 1.00 0.00 O ATOM 64 CB GLU C 94 5.765 -4.686 -10.784 1.00 0.00 C ATOM 65 CG GLU C 94 5.645 -6.239 -10.691 1.00 0.00 C ATOM 66 CD GLU C 94 4.989 -6.687 -9.369 1.00 0.00 C ATOM 67 OE1 GLU C 94 4.763 -5.869 -8.496 1.00 0.00 O ATOM 68 OE2 GLU C 94 4.715 -7.840 -9.249 1.00 0.00 O1- ATOM 0 HA GLU C 94 7.960 -4.664 -10.830 1.00 0.00 H new ATOM 0 HB2 GLU C 94 4.970 -4.217 -10.204 1.00 0.00 H new ATOM 0 HB3 GLU C 94 5.637 -4.365 -11.818 1.00 0.00 H new ATOM 0 HG2 GLU C 94 5.057 -6.609 -11.531 1.00 0.00 H new ATOM 0 HG3 GLU C 94 6.636 -6.685 -10.774 1.00 0.00 H new ATOM 75 N GLU C 95 6.794 -1.943 -9.360 1.00 0.00 N ATOM 76 CA GLU C 95 6.805 -0.438 -9.463 1.00 0.00 C ATOM 77 C GLU C 95 8.243 0.086 -9.601 1.00 0.00 C ATOM 78 O GLU C 95 8.488 0.954 -10.415 1.00 0.00 O ATOM 79 CB GLU C 95 6.212 0.091 -8.141 1.00 0.00 C ATOM 80 CG GLU C 95 4.766 -0.432 -7.912 1.00 0.00 C ATOM 81 CD GLU C 95 4.200 0.152 -6.619 1.00 0.00 C ATOM 82 OE1 GLU C 95 4.216 1.358 -6.471 1.00 0.00 O1- ATOM 83 OE2 GLU C 95 3.745 -0.613 -5.794 1.00 0.00 O ATOM 0 H GLU C 95 6.404 -2.318 -8.495 1.00 0.00 H new ATOM 0 HA GLU C 95 6.238 -0.111 -10.334 1.00 0.00 H new ATOM 0 HB2 GLU C 95 6.846 -0.215 -7.309 1.00 0.00 H new ATOM 0 HB3 GLU C 95 6.207 1.181 -8.154 1.00 0.00 H new ATOM 0 HG2 GLU C 95 4.132 -0.155 -8.754 1.00 0.00 H new ATOM 0 HG3 GLU C 95 4.768 -1.521 -7.859 1.00 0.00 H new ATOM 90 N GLU C 96 9.206 -0.453 -8.849 1.00 0.00 N ATOM 91 CA GLU C 96 10.623 0.064 -8.983 1.00 0.00 C ATOM 92 C GLU C 96 11.132 -0.179 -10.394 1.00 0.00 C ATOM 93 O GLU C 96 11.732 0.698 -10.999 1.00 0.00 O ATOM 94 CB GLU C 96 11.488 -0.717 -7.976 1.00 0.00 C ATOM 95 CG GLU C 96 11.082 -0.368 -6.533 1.00 0.00 C ATOM 96 CD GLU C 96 11.063 1.140 -6.335 1.00 0.00 C ATOM 97 OE1 GLU C 96 12.041 1.792 -6.627 1.00 0.00 O ATOM 98 OE2 GLU C 96 10.050 1.624 -5.932 1.00 0.00 O1- ATOM 0 H GLU C 96 9.073 -1.204 -8.171 1.00 0.00 H new ATOM 0 HA GLU C 96 10.665 1.135 -8.785 1.00 0.00 H new ATOM 0 HB2 GLU C 96 11.374 -1.788 -8.143 1.00 0.00 H new ATOM 0 HB3 GLU C 96 12.541 -0.480 -8.131 1.00 0.00 H new ATOM 0 HG2 GLU C 96 10.097 -0.782 -6.316 1.00 0.00 H new ATOM 0 HG3 GLU C 96 11.781 -0.824 -5.832 1.00 0.00 H new ATOM 105 N LEU C 97 10.812 -1.320 -10.973 1.00 0.00 N ATOM 106 CA LEU C 97 11.194 -1.558 -12.406 1.00 0.00 C ATOM 107 C LEU C 97 10.584 -0.454 -13.258 1.00 0.00 C ATOM 108 O LEU C 97 11.264 0.197 -14.051 1.00 0.00 O ATOM 109 CB LEU C 97 10.566 -2.930 -12.762 1.00 0.00 C ATOM 110 CG LEU C 97 10.576 -3.169 -14.288 1.00 0.00 C ATOM 111 CD1 LEU C 97 11.986 -3.065 -14.858 1.00 0.00 C ATOM 112 CD2 LEU C 97 10.003 -4.550 -14.586 1.00 0.00 C ATOM 0 H LEU C 97 10.310 -2.085 -10.521 1.00 0.00 H new ATOM 0 HA LEU C 97 12.271 -1.557 -12.573 1.00 0.00 H new ATOM 0 HB2 LEU C 97 11.118 -3.726 -12.263 1.00 0.00 H new ATOM 0 HB3 LEU C 97 9.542 -2.971 -12.391 1.00 0.00 H new ATOM 0 HG LEU C 97 9.965 -2.400 -14.760 1.00 0.00 H new ATOM 0 HD11 LEU C 97 11.957 -3.238 -15.934 1.00 0.00 H new ATOM 0 HD12 LEU C 97 12.385 -2.070 -14.661 1.00 0.00 H new ATOM 0 HD13 LEU C 97 12.625 -3.812 -14.387 1.00 0.00 H new ATOM 0 HD21 LEU C 97 10.009 -4.722 -15.662 1.00 0.00 H new ATOM 0 HD22 LEU C 97 10.610 -5.310 -14.094 1.00 0.00 H new ATOM 0 HD23 LEU C 97 8.980 -4.607 -14.215 1.00 0.00 H new ATOM 124 N SER C 98 9.317 -0.216 -13.074 1.00 0.00 N ATOM 125 CA SER C 98 8.635 0.853 -13.845 1.00 0.00 C ATOM 126 C SER C 98 9.246 2.227 -13.502 1.00 0.00 C ATOM 127 O SER C 98 9.549 3.017 -14.387 1.00 0.00 O ATOM 128 CB SER C 98 7.170 0.789 -13.392 1.00 0.00 C ATOM 129 OG SER C 98 6.718 -0.582 -13.391 1.00 0.00 O ATOM 0 H SER C 98 8.722 -0.721 -12.417 1.00 0.00 H new ATOM 0 HA SER C 98 8.738 0.719 -14.922 1.00 0.00 H new ATOM 0 HB2 SER C 98 7.069 1.215 -12.394 1.00 0.00 H new ATOM 0 HB3 SER C 98 6.547 1.386 -14.058 1.00 0.00 H new ATOM 0 HG SER C 98 6.995 -1.017 -12.558 1.00 0.00 H new ATOM 135 N ASP C 99 9.440 2.507 -12.227 1.00 0.00 N ATOM 136 CA ASP C 99 10.022 3.829 -11.812 1.00 0.00 C ATOM 137 C ASP C 99 11.428 3.994 -12.354 1.00 0.00 C ATOM 138 O ASP C 99 11.770 5.030 -12.911 1.00 0.00 O ATOM 139 CB ASP C 99 10.064 3.806 -10.269 1.00 0.00 C ATOM 140 CG ASP C 99 8.775 4.362 -9.673 1.00 0.00 C ATOM 141 OD1 ASP C 99 8.467 5.508 -9.933 1.00 0.00 O1- ATOM 142 OD2 ASP C 99 8.140 3.665 -8.922 1.00 0.00 O ATOM 0 H ASP C 99 9.219 1.875 -11.457 1.00 0.00 H new ATOM 0 HA ASP C 99 9.425 4.656 -12.197 1.00 0.00 H new ATOM 0 HB2 ASP C 99 10.217 2.784 -9.922 1.00 0.00 H new ATOM 0 HB3 ASP C 99 10.913 4.392 -9.917 1.00 0.00 H new ATOM 147 N LEU C 100 12.258 2.993 -12.176 1.00 0.00 N ATOM 148 CA LEU C 100 13.671 3.088 -12.650 1.00 0.00 C ATOM 149 C LEU C 100 13.711 3.218 -14.173 1.00 0.00 C ATOM 150 O LEU C 100 14.515 3.961 -14.709 1.00 0.00 O ATOM 151 CB LEU C 100 14.357 1.789 -12.191 1.00 0.00 C ATOM 152 CG LEU C 100 15.873 1.886 -12.441 1.00 0.00 C ATOM 153 CD1 LEU C 100 16.473 2.953 -11.522 1.00 0.00 C ATOM 154 CD2 LEU C 100 16.536 0.544 -12.126 1.00 0.00 C ATOM 0 H LEU C 100 12.014 2.113 -11.721 1.00 0.00 H new ATOM 0 HA LEU C 100 14.176 3.965 -12.245 1.00 0.00 H new ATOM 0 HB2 LEU C 100 14.164 1.619 -11.132 1.00 0.00 H new ATOM 0 HB3 LEU C 100 13.943 0.937 -12.731 1.00 0.00 H new ATOM 0 HG LEU C 100 16.045 2.148 -13.485 1.00 0.00 H new ATOM 0 HD11 LEU C 100 17.546 3.023 -11.698 1.00 0.00 H new ATOM 0 HD12 LEU C 100 16.008 3.916 -11.731 1.00 0.00 H new ATOM 0 HD13 LEU C 100 16.293 2.681 -10.482 1.00 0.00 H new ATOM 0 HD21 LEU C 100 17.609 0.617 -12.304 1.00 0.00 H new ATOM 0 HD22 LEU C 100 16.359 0.287 -11.082 1.00 0.00 H new ATOM 0 HD23 LEU C 100 16.114 -0.230 -12.767 1.00 0.00 H new ATOM 166 N PHE C 101 12.863 2.499 -14.879 1.00 0.00 N ATOM 167 CA PHE C 101 12.878 2.592 -16.377 1.00 0.00 C ATOM 168 C PHE C 101 12.561 4.045 -16.793 1.00 0.00 C ATOM 169 O PHE C 101 13.233 4.621 -17.624 1.00 0.00 O ATOM 170 CB PHE C 101 11.754 1.650 -16.852 1.00 0.00 C ATOM 171 CG PHE C 101 11.918 1.380 -18.328 1.00 0.00 C ATOM 172 CD1 PHE C 101 11.492 2.313 -19.275 1.00 0.00 C ATOM 173 CD2 PHE C 101 12.532 0.201 -18.742 1.00 0.00 C ATOM 174 CE1 PHE C 101 11.670 2.053 -20.631 1.00 0.00 C ATOM 175 CE2 PHE C 101 12.713 -0.058 -20.098 1.00 0.00 C ATOM 176 CZ PHE C 101 12.288 0.865 -21.041 1.00 0.00 C ATOM 0 H PHE C 101 12.171 1.860 -14.488 1.00 0.00 H new ATOM 0 HA PHE C 101 13.842 2.319 -16.806 1.00 0.00 H new ATOM 0 HB2 PHE C 101 11.788 0.714 -16.294 1.00 0.00 H new ATOM 0 HB3 PHE C 101 10.781 2.101 -16.659 1.00 0.00 H new ATOM 0 HD1 PHE C 101 11.026 3.234 -18.957 1.00 0.00 H new ATOM 0 HD2 PHE C 101 12.869 -0.516 -18.008 1.00 0.00 H new ATOM 0 HE1 PHE C 101 11.332 2.767 -21.367 1.00 0.00 H new ATOM 0 HE2 PHE C 101 13.184 -0.977 -20.415 1.00 0.00 H new ATOM 0 HZ PHE C 101 12.434 0.668 -22.093 1.00 0.00 H new ATOM 186 N ARG C 102 11.541 4.639 -16.190 1.00 0.00 N ATOM 187 CA ARG C 102 11.154 6.065 -16.534 1.00 0.00 C ATOM 188 C ARG C 102 12.307 7.048 -16.296 1.00 0.00 C ATOM 189 O ARG C 102 12.497 7.952 -17.068 1.00 0.00 O ATOM 190 CB ARG C 102 9.976 6.386 -15.618 1.00 0.00 C ATOM 191 CG ARG C 102 8.717 5.662 -16.129 1.00 0.00 C ATOM 192 CD ARG C 102 7.703 5.418 -14.987 1.00 0.00 C ATOM 193 NE ARG C 102 7.738 6.636 -14.100 1.00 0.00 N ATOM 194 CZ ARG C 102 7.910 6.468 -12.817 1.00 0.00 C ATOM 195 NH1 ARG C 102 6.940 5.950 -12.098 1.00 0.00 N ATOM 196 NH2 ARG C 102 9.053 6.775 -12.265 1.00 0.00 N1+ ATOM 0 H ARG C 102 10.960 4.200 -15.476 1.00 0.00 H new ATOM 0 HA ARG C 102 10.901 6.160 -17.590 1.00 0.00 H new ATOM 0 HB2 ARG C 102 10.199 6.074 -14.598 1.00 0.00 H new ATOM 0 HB3 ARG C 102 9.804 7.462 -15.592 1.00 0.00 H new ATOM 0 HG2 ARG C 102 8.248 6.255 -16.914 1.00 0.00 H new ATOM 0 HG3 ARG C 102 9.000 4.709 -16.576 1.00 0.00 H new ATOM 0 HD2 ARG C 102 6.701 5.261 -15.387 1.00 0.00 H new ATOM 0 HD3 ARG C 102 7.965 4.523 -14.423 1.00 0.00 H new ATOM 0 HE ARG C 102 7.630 7.571 -14.493 1.00 0.00 H new ATOM 0 HH11 ARG C 102 6.062 5.683 -12.543 1.00 0.00 H new ATOM 0 HH12 ARG C 102 7.065 5.815 -11.095 1.00 0.00 H new ATOM 0 HH21 ARG C 102 9.812 7.146 -12.836 1.00 0.00 H new ATOM 0 HH22 ARG C 102 9.187 6.644 -11.262 1.00 0.00 H new ATOM 210 N MET C 103 13.070 6.890 -15.238 1.00 0.00 N ATOM 211 CA MET C 103 14.238 7.839 -15.033 1.00 0.00 C ATOM 212 C MET C 103 15.389 7.478 -15.992 1.00 0.00 C ATOM 213 O MET C 103 16.175 8.322 -16.355 1.00 0.00 O ATOM 214 CB MET C 103 14.692 7.760 -13.547 1.00 0.00 C ATOM 215 CG MET C 103 14.869 6.314 -13.064 1.00 0.00 C ATOM 216 SD MET C 103 15.630 6.327 -11.424 1.00 0.00 S ATOM 217 CE MET C 103 17.299 6.816 -11.944 1.00 0.00 C ATOM 0 H MET C 103 12.950 6.173 -14.523 1.00 0.00 H new ATOM 0 HA MET C 103 13.935 8.862 -15.255 1.00 0.00 H new ATOM 0 HB2 MET C 103 15.633 8.297 -13.429 1.00 0.00 H new ATOM 0 HB3 MET C 103 13.957 8.262 -12.918 1.00 0.00 H new ATOM 0 HG2 MET C 103 13.904 5.809 -13.027 1.00 0.00 H new ATOM 0 HG3 MET C 103 15.493 5.758 -13.764 1.00 0.00 H new ATOM 0 HE1 MET C 103 18.035 6.194 -11.435 1.00 0.00 H new ATOM 0 HE2 MET C 103 17.397 6.686 -13.022 1.00 0.00 H new ATOM 0 HE3 MET C 103 17.468 7.862 -11.688 1.00 0.00 H new ATOM 227 N PHE C 104 15.522 6.211 -16.350 1.00 0.00 N ATOM 228 CA PHE C 104 16.656 5.783 -17.246 1.00 0.00 C ATOM 229 C PHE C 104 16.395 6.167 -18.717 1.00 0.00 C ATOM 230 O PHE C 104 17.333 6.446 -19.456 1.00 0.00 O ATOM 231 CB PHE C 104 16.748 4.252 -17.105 1.00 0.00 C ATOM 232 CG PHE C 104 18.197 3.843 -16.938 1.00 0.00 C ATOM 233 CD1 PHE C 104 19.085 3.928 -18.021 1.00 0.00 C ATOM 234 CD2 PHE C 104 18.653 3.387 -15.699 1.00 0.00 C ATOM 235 CE1 PHE C 104 20.423 3.553 -17.861 1.00 0.00 C ATOM 236 CE2 PHE C 104 19.989 3.015 -15.539 1.00 0.00 C ATOM 237 CZ PHE C 104 20.874 3.095 -16.618 1.00 0.00 C ATOM 0 H PHE C 104 14.896 5.460 -16.060 1.00 0.00 H new ATOM 0 HA PHE C 104 17.583 6.279 -16.958 1.00 0.00 H new ATOM 0 HB2 PHE C 104 16.165 3.920 -16.246 1.00 0.00 H new ATOM 0 HB3 PHE C 104 16.323 3.769 -17.985 1.00 0.00 H new ATOM 0 HD1 PHE C 104 18.735 4.283 -18.979 1.00 0.00 H new ATOM 0 HD2 PHE C 104 17.971 3.322 -14.864 1.00 0.00 H new ATOM 0 HE1 PHE C 104 21.106 3.617 -18.695 1.00 0.00 H new ATOM 0 HE2 PHE C 104 20.340 2.665 -14.579 1.00 0.00 H new ATOM 0 HZ PHE C 104 21.906 2.803 -16.492 1.00 0.00 H new ATOM 247 N ASP C 105 15.157 6.085 -19.188 1.00 0.00 N ATOM 248 CA ASP C 105 14.911 6.368 -20.648 1.00 0.00 C ATOM 249 C ASP C 105 14.790 7.890 -20.857 1.00 0.00 C ATOM 250 O ASP C 105 13.804 8.508 -20.479 1.00 0.00 O ATOM 251 CB ASP C 105 13.587 5.674 -20.982 1.00 0.00 C ATOM 252 CG ASP C 105 13.434 5.605 -22.471 1.00 0.00 C ATOM 253 OD1 ASP C 105 13.943 4.682 -23.045 1.00 0.00 O ATOM 254 OD2 ASP C 105 12.839 6.467 -23.050 1.00 0.00 O1- ATOM 0 H ASP C 105 14.332 5.842 -18.640 1.00 0.00 H new ATOM 0 HA ASP C 105 15.719 6.009 -21.285 1.00 0.00 H new ATOM 0 HB2 ASP C 105 13.569 4.671 -20.555 1.00 0.00 H new ATOM 0 HB3 ASP C 105 12.753 6.222 -20.543 1.00 0.00 H new ATOM 259 N LYS C 106 15.802 8.488 -21.425 1.00 0.00 N ATOM 260 CA LYS C 106 15.825 9.986 -21.639 1.00 0.00 C ATOM 261 C LYS C 106 14.807 10.466 -22.697 1.00 0.00 C ATOM 262 O LYS C 106 14.436 11.627 -22.697 1.00 0.00 O ATOM 263 CB LYS C 106 17.273 10.323 -22.129 1.00 0.00 C ATOM 264 CG LYS C 106 17.531 9.660 -23.514 1.00 0.00 C ATOM 265 CD LYS C 106 18.974 9.881 -23.994 1.00 0.00 C ATOM 266 CE LYS C 106 19.122 9.271 -25.427 1.00 0.00 C ATOM 267 NZ LYS C 106 19.453 10.374 -26.354 1.00 0.00 N1+ ATOM 0 H LYS C 106 16.634 8.003 -21.760 1.00 0.00 H new ATOM 0 HA LYS C 106 15.553 10.489 -20.711 1.00 0.00 H new ATOM 0 HB2 LYS C 106 17.399 11.403 -22.204 1.00 0.00 H new ATOM 0 HB3 LYS C 106 18.004 9.966 -21.403 1.00 0.00 H new ATOM 0 HG2 LYS C 106 17.330 8.591 -23.448 1.00 0.00 H new ATOM 0 HG3 LYS C 106 16.837 10.070 -24.248 1.00 0.00 H new ATOM 0 HD2 LYS C 106 19.209 10.945 -24.010 1.00 0.00 H new ATOM 0 HD3 LYS C 106 19.677 9.410 -23.308 1.00 0.00 H new ATOM 0 HE2 LYS C 106 19.905 8.512 -25.441 1.00 0.00 H new ATOM 0 HE3 LYS C 106 18.197 8.781 -25.731 1.00 0.00 H new ATOM 0 HZ1 LYS C 106 18.709 10.456 -27.076 1.00 0.00 H new ATOM 0 HZ2 LYS C 106 19.520 11.266 -25.823 1.00 0.00 H new ATOM 0 HZ3 LYS C 106 20.363 10.177 -26.817 1.00 0.00 H new ATOM 281 N ASN C 107 14.546 9.676 -23.720 1.00 0.00 N ATOM 282 CA ASN C 107 13.750 10.229 -24.886 1.00 0.00 C ATOM 283 C ASN C 107 12.255 9.902 -24.850 1.00 0.00 C ATOM 284 O ASN C 107 11.567 10.170 -25.830 1.00 0.00 O ATOM 285 CB ASN C 107 14.386 9.622 -26.137 1.00 0.00 C ATOM 286 CG ASN C 107 14.379 10.654 -27.256 1.00 0.00 C ATOM 287 OD1 ASN C 107 15.404 11.236 -27.563 1.00 0.00 O ATOM 288 ND2 ASN C 107 13.268 10.935 -27.869 1.00 0.00 N ATOM 0 H ASN C 107 14.837 8.702 -23.804 1.00 0.00 H new ATOM 0 HA ASN C 107 13.790 11.318 -24.857 1.00 0.00 H new ATOM 0 HB2 ASN C 107 15.407 9.307 -25.923 1.00 0.00 H new ATOM 0 HB3 ASN C 107 13.836 8.732 -26.444 1.00 0.00 H new ATOM 0 HD21 ASN C 107 13.256 11.641 -28.605 1.00 0.00 H new ATOM 0 HD22 ASN C 107 12.408 10.449 -27.614 1.00 0.00 H new ATOM 295 N ALA C 108 11.766 9.181 -23.848 1.00 0.00 N ATOM 296 CA ALA C 108 10.337 8.692 -23.852 1.00 0.00 C ATOM 297 C ALA C 108 10.163 7.643 -24.968 1.00 0.00 C ATOM 298 O ALA C 108 9.068 7.121 -25.183 1.00 0.00 O ATOM 299 CB ALA C 108 9.429 9.917 -24.090 1.00 0.00 C ATOM 0 H ALA C 108 12.303 8.911 -23.024 1.00 0.00 H new ATOM 0 HA ALA C 108 10.072 8.220 -22.906 1.00 0.00 H new ATOM 0 HB1 ALA C 108 8.386 9.601 -24.099 1.00 0.00 H new ATOM 0 HB2 ALA C 108 9.581 10.643 -23.291 1.00 0.00 H new ATOM 0 HB3 ALA C 108 9.678 10.374 -25.048 1.00 0.00 H new ATOM 305 N ASP C 109 11.262 7.212 -25.587 1.00 0.00 N ATOM 306 CA ASP C 109 11.197 6.094 -26.527 1.00 0.00 C ATOM 307 C ASP C 109 11.209 4.866 -25.641 1.00 0.00 C ATOM 308 O ASP C 109 12.254 4.498 -25.090 1.00 0.00 O ATOM 309 CB ASP C 109 12.477 6.167 -27.452 1.00 0.00 C ATOM 310 CG ASP C 109 13.730 5.867 -26.679 1.00 0.00 C ATOM 311 OD1 ASP C 109 13.999 6.528 -25.757 1.00 0.00 O ATOM 312 OD2 ASP C 109 14.340 4.905 -26.913 1.00 0.00 O1- ATOM 0 H ASP C 109 12.192 7.611 -25.458 1.00 0.00 H new ATOM 0 HA ASP C 109 10.323 6.094 -27.179 1.00 0.00 H new ATOM 0 HB2 ASP C 109 12.375 5.457 -28.273 1.00 0.00 H new ATOM 0 HB3 ASP C 109 12.551 7.160 -27.896 1.00 0.00 H new ATOM 317 N GLY C 110 10.040 4.379 -25.343 1.00 0.00 N ATOM 318 CA GLY C 110 9.750 3.245 -24.345 1.00 0.00 C ATOM 319 C GLY C 110 10.816 2.105 -24.254 1.00 0.00 C ATOM 320 O GLY C 110 10.716 1.273 -23.385 1.00 0.00 O ATOM 0 H GLY C 110 9.188 4.737 -25.776 1.00 0.00 H new ATOM 0 HA2 GLY C 110 9.635 3.684 -23.354 1.00 0.00 H new ATOM 0 HA3 GLY C 110 8.792 2.796 -24.608 1.00 0.00 H new ATOM 324 N TYR C 111 11.831 2.077 -25.072 1.00 0.00 N ATOM 325 CA TYR C 111 12.916 1.066 -24.924 1.00 0.00 C ATOM 326 C TYR C 111 14.193 1.840 -24.606 1.00 0.00 C ATOM 327 O TYR C 111 14.354 3.011 -25.040 1.00 0.00 O ATOM 328 CB TYR C 111 13.050 0.386 -26.300 1.00 0.00 C ATOM 329 CG TYR C 111 11.733 -0.252 -26.677 1.00 0.00 C ATOM 330 CD1 TYR C 111 11.409 -1.521 -26.209 1.00 0.00 C ATOM 331 CD2 TYR C 111 10.835 0.445 -27.486 1.00 0.00 C ATOM 332 CE1 TYR C 111 10.184 -2.091 -26.538 1.00 0.00 C ATOM 333 CE2 TYR C 111 9.615 -0.119 -27.820 1.00 0.00 C ATOM 334 CZ TYR C 111 9.285 -1.395 -27.350 1.00 0.00 C ATOM 335 OH TYR C 111 8.077 -1.967 -27.680 1.00 0.00 O ATOM 0 H TYR C 111 11.957 2.724 -25.851 1.00 0.00 H new ATOM 0 HA TYR C 111 12.722 0.328 -24.146 1.00 0.00 H new ATOM 0 HB2 TYR C 111 13.340 1.119 -27.053 1.00 0.00 H new ATOM 0 HB3 TYR C 111 13.836 -0.368 -26.270 1.00 0.00 H new ATOM 0 HD1 TYR C 111 12.109 -2.064 -25.590 1.00 0.00 H new ATOM 0 HD2 TYR C 111 11.092 1.428 -27.853 1.00 0.00 H new ATOM 0 HE1 TYR C 111 9.928 -3.072 -26.166 1.00 0.00 H new ATOM 0 HE2 TYR C 111 8.920 0.425 -28.442 1.00 0.00 H new ATOM 0 HH TYR C 111 7.569 -1.352 -28.249 1.00 0.00 H new ATOM 345 N ILE C 112 15.101 1.261 -23.876 1.00 0.00 N ATOM 346 CA ILE C 112 16.363 1.987 -23.583 1.00 0.00 C ATOM 347 C ILE C 112 17.273 1.764 -24.791 1.00 0.00 C ATOM 348 O ILE C 112 17.436 0.630 -25.267 1.00 0.00 O ATOM 349 CB ILE C 112 16.975 1.342 -22.306 1.00 0.00 C ATOM 350 CG1 ILE C 112 15.934 1.253 -21.160 1.00 0.00 C ATOM 351 CG2 ILE C 112 18.140 2.209 -21.820 1.00 0.00 C ATOM 352 CD1 ILE C 112 15.271 2.621 -20.926 1.00 0.00 C ATOM 0 H ILE C 112 15.026 0.327 -23.474 1.00 0.00 H new ATOM 0 HA ILE C 112 16.222 3.054 -23.413 1.00 0.00 H new ATOM 0 HB ILE C 112 17.306 0.336 -22.563 1.00 0.00 H new ATOM 0 HG12 ILE C 112 15.174 0.512 -21.408 1.00 0.00 H new ATOM 0 HG13 ILE C 112 16.420 0.917 -20.244 1.00 0.00 H new ATOM 0 HG21 ILE C 112 18.575 1.765 -20.925 1.00 0.00 H new ATOM 0 HG22 ILE C 112 18.898 2.270 -22.601 1.00 0.00 H new ATOM 0 HG23 ILE C 112 17.777 3.210 -21.588 1.00 0.00 H new ATOM 0 HD11 ILE C 112 14.544 2.539 -20.118 1.00 0.00 H new ATOM 0 HD12 ILE C 112 16.032 3.353 -20.656 1.00 0.00 H new ATOM 0 HD13 ILE C 112 14.767 2.942 -21.838 1.00 0.00 H new ATOM 364 N ASP C 113 17.776 2.824 -25.336 1.00 0.00 N ATOM 365 CA ASP C 113 18.612 2.757 -26.570 1.00 0.00 C ATOM 366 C ASP C 113 20.088 2.821 -26.196 1.00 0.00 C ATOM 367 O ASP C 113 20.442 3.309 -25.122 1.00 0.00 O ATOM 368 CB ASP C 113 18.226 4.008 -27.372 1.00 0.00 C ATOM 369 CG ASP C 113 18.830 3.926 -28.743 1.00 0.00 C ATOM 370 OD1 ASP C 113 18.247 3.271 -29.573 1.00 0.00 O ATOM 371 OD2 ASP C 113 19.861 4.507 -28.947 1.00 0.00 O1- ATOM 0 H ASP C 113 17.642 3.767 -24.971 1.00 0.00 H new ATOM 0 HA ASP C 113 18.452 1.837 -27.132 1.00 0.00 H new ATOM 0 HB2 ASP C 113 17.141 4.087 -27.444 1.00 0.00 H new ATOM 0 HB3 ASP C 113 18.577 4.904 -26.861 1.00 0.00 H new ATOM 376 N LEU C 114 20.952 2.385 -27.089 1.00 0.00 N ATOM 377 CA LEU C 114 22.436 2.453 -26.828 1.00 0.00 C ATOM 378 C LEU C 114 22.808 3.898 -26.485 1.00 0.00 C ATOM 379 O LEU C 114 23.579 4.147 -25.558 1.00 0.00 O ATOM 380 CB LEU C 114 23.123 2.083 -28.167 1.00 0.00 C ATOM 381 CG LEU C 114 22.780 0.646 -28.601 1.00 0.00 C ATOM 382 CD1 LEU C 114 21.820 0.667 -29.797 1.00 0.00 C ATOM 383 CD2 LEU C 114 24.066 -0.087 -28.999 1.00 0.00 C ATOM 0 H LEU C 114 20.695 1.983 -27.991 1.00 0.00 H new ATOM 0 HA LEU C 114 22.734 1.792 -26.014 1.00 0.00 H new ATOM 0 HB2 LEU C 114 22.811 2.782 -28.942 1.00 0.00 H new ATOM 0 HB3 LEU C 114 24.203 2.184 -28.063 1.00 0.00 H new ATOM 0 HG LEU C 114 22.301 0.131 -27.768 1.00 0.00 H new ATOM 0 HD11 LEU C 114 21.586 -0.355 -30.094 1.00 0.00 H new ATOM 0 HD12 LEU C 114 20.902 1.183 -29.517 1.00 0.00 H new ATOM 0 HD13 LEU C 114 22.289 1.188 -30.631 1.00 0.00 H new ATOM 0 HD21 LEU C 114 23.825 -1.104 -29.306 1.00 0.00 H new ATOM 0 HD22 LEU C 114 24.543 0.438 -29.826 1.00 0.00 H new ATOM 0 HD23 LEU C 114 24.746 -0.117 -28.148 1.00 0.00 H new ATOM 395 N ASP C 115 22.250 4.871 -27.204 1.00 0.00 N ATOM 396 CA ASP C 115 22.571 6.290 -26.873 1.00 0.00 C ATOM 397 C ASP C 115 22.073 6.632 -25.478 1.00 0.00 C ATOM 398 O ASP C 115 22.754 7.293 -24.734 1.00 0.00 O ATOM 399 CB ASP C 115 21.882 7.181 -27.903 1.00 0.00 C ATOM 400 CG ASP C 115 22.382 8.606 -27.733 1.00 0.00 C ATOM 401 OD1 ASP C 115 23.474 8.888 -28.172 1.00 0.00 O1- ATOM 402 OD2 ASP C 115 21.682 9.400 -27.156 1.00 0.00 O ATOM 0 H ASP C 115 21.605 4.734 -27.982 1.00 0.00 H new ATOM 0 HA ASP C 115 23.650 6.444 -26.896 1.00 0.00 H new ATOM 0 HB2 ASP C 115 22.093 6.825 -28.911 1.00 0.00 H new ATOM 0 HB3 ASP C 115 20.801 7.143 -27.772 1.00 0.00 H new ATOM 407 N GLU C 116 20.896 6.164 -25.094 1.00 0.00 N ATOM 408 CA GLU C 116 20.392 6.487 -23.714 1.00 0.00 C ATOM 409 C GLU C 116 21.376 5.932 -22.676 1.00 0.00 C ATOM 410 O GLU C 116 21.745 6.632 -21.734 1.00 0.00 O ATOM 411 CB GLU C 116 19.000 5.808 -23.579 1.00 0.00 C ATOM 412 CG GLU C 116 18.033 6.389 -24.630 1.00 0.00 C ATOM 413 CD GLU C 116 16.602 6.014 -24.319 1.00 0.00 C ATOM 414 OE1 GLU C 116 16.156 4.972 -24.731 1.00 0.00 O ATOM 415 OE2 GLU C 116 15.956 6.778 -23.729 1.00 0.00 O1- ATOM 0 H GLU C 116 20.278 5.586 -25.664 1.00 0.00 H new ATOM 0 HA GLU C 116 20.306 7.561 -23.551 1.00 0.00 H new ATOM 0 HB2 GLU C 116 19.096 4.731 -23.715 1.00 0.00 H new ATOM 0 HB3 GLU C 116 18.602 5.969 -22.577 1.00 0.00 H new ATOM 0 HG2 GLU C 116 18.130 7.474 -24.657 1.00 0.00 H new ATOM 0 HG3 GLU C 116 18.302 6.020 -25.620 1.00 0.00 H new ATOM 422 N LEU C 117 21.895 4.740 -22.890 1.00 0.00 N ATOM 423 CA LEU C 117 22.942 4.215 -21.953 1.00 0.00 C ATOM 424 C LEU C 117 24.215 5.074 -22.081 1.00 0.00 C ATOM 425 O LEU C 117 24.818 5.452 -21.087 1.00 0.00 O ATOM 426 CB LEU C 117 23.230 2.756 -22.391 1.00 0.00 C ATOM 427 CG LEU C 117 21.951 1.886 -22.282 1.00 0.00 C ATOM 428 CD1 LEU C 117 22.276 0.439 -22.649 1.00 0.00 C ATOM 429 CD2 LEU C 117 21.398 1.926 -20.851 1.00 0.00 C ATOM 0 H LEU C 117 21.643 4.119 -23.659 1.00 0.00 H new ATOM 0 HA LEU C 117 22.613 4.250 -20.914 1.00 0.00 H new ATOM 0 HB2 LEU C 117 23.596 2.745 -23.418 1.00 0.00 H new ATOM 0 HB3 LEU C 117 24.017 2.333 -21.767 1.00 0.00 H new ATOM 0 HG LEU C 117 21.203 2.283 -22.969 1.00 0.00 H new ATOM 0 HD11 LEU C 117 21.374 -0.168 -22.571 1.00 0.00 H new ATOM 0 HD12 LEU C 117 22.653 0.399 -23.671 1.00 0.00 H new ATOM 0 HD13 LEU C 117 23.034 0.052 -21.967 1.00 0.00 H new ATOM 0 HD21 LEU C 117 20.500 1.311 -20.790 1.00 0.00 H new ATOM 0 HD22 LEU C 117 22.148 1.542 -20.160 1.00 0.00 H new ATOM 0 HD23 LEU C 117 21.152 2.954 -20.585 1.00 0.00 H new ATOM 441 N LYS C 118 24.606 5.419 -23.298 1.00 0.00 N ATOM 442 CA LYS C 118 25.832 6.269 -23.484 1.00 0.00 C ATOM 443 C LYS C 118 25.635 7.660 -22.858 1.00 0.00 C ATOM 444 O LYS C 118 26.524 8.171 -22.196 1.00 0.00 O ATOM 445 CB LYS C 118 26.118 6.293 -25.034 1.00 0.00 C ATOM 446 CG LYS C 118 25.566 7.559 -25.761 1.00 0.00 C ATOM 447 CD LYS C 118 26.650 8.643 -25.835 1.00 0.00 C ATOM 448 CE LYS C 118 26.466 9.510 -27.107 1.00 0.00 C ATOM 449 NZ LYS C 118 25.216 10.300 -26.892 1.00 0.00 N1+ ATOM 0 H LYS C 118 24.131 5.149 -24.159 1.00 0.00 H new ATOM 0 HA LYS C 118 26.702 5.864 -22.967 1.00 0.00 H new ATOM 0 HB2 LYS C 118 27.194 6.234 -25.196 1.00 0.00 H new ATOM 0 HB3 LYS C 118 25.678 5.405 -25.488 1.00 0.00 H new ATOM 0 HG2 LYS C 118 25.236 7.295 -26.766 1.00 0.00 H new ATOM 0 HG3 LYS C 118 24.695 7.942 -25.229 1.00 0.00 H new ATOM 0 HD2 LYS C 118 26.602 9.274 -24.948 1.00 0.00 H new ATOM 0 HD3 LYS C 118 27.636 8.179 -25.844 1.00 0.00 H new ATOM 0 HE2 LYS C 118 27.322 10.168 -27.257 1.00 0.00 H new ATOM 0 HE3 LYS C 118 26.384 8.885 -27.996 1.00 0.00 H new ATOM 0 HZ1 LYS C 118 25.327 11.246 -27.309 1.00 0.00 H new ATOM 0 HZ2 LYS C 118 24.416 9.814 -27.345 1.00 0.00 H new ATOM 0 HZ3 LYS C 118 25.034 10.391 -25.872 1.00 0.00 H new ATOM 463 N ILE C 119 24.464 8.249 -23.012 1.00 0.00 N ATOM 464 CA ILE C 119 24.191 9.593 -22.381 1.00 0.00 C ATOM 465 C ILE C 119 24.368 9.480 -20.858 1.00 0.00 C ATOM 466 O ILE C 119 25.049 10.291 -20.249 1.00 0.00 O ATOM 467 CB ILE C 119 22.717 9.925 -22.738 1.00 0.00 C ATOM 468 CG1 ILE C 119 22.541 10.030 -24.282 1.00 0.00 C ATOM 469 CG2 ILE C 119 22.274 11.231 -22.057 1.00 0.00 C ATOM 470 CD1 ILE C 119 22.565 11.488 -24.756 1.00 0.00 C ATOM 0 H ILE C 119 23.687 7.859 -23.546 1.00 0.00 H new ATOM 0 HA ILE C 119 24.868 10.370 -22.736 1.00 0.00 H new ATOM 0 HB ILE C 119 22.086 9.116 -22.371 1.00 0.00 H new ATOM 0 HG12 ILE C 119 23.336 9.473 -24.778 1.00 0.00 H new ATOM 0 HG13 ILE C 119 21.598 9.568 -24.573 1.00 0.00 H new ATOM 0 HG21 ILE C 119 21.238 11.445 -22.320 1.00 0.00 H new ATOM 0 HG22 ILE C 119 22.359 11.124 -20.976 1.00 0.00 H new ATOM 0 HG23 ILE C 119 22.910 12.050 -22.392 1.00 0.00 H new ATOM 0 HD11 ILE C 119 22.439 11.521 -25.838 1.00 0.00 H new ATOM 0 HD12 ILE C 119 21.754 12.039 -24.280 1.00 0.00 H new ATOM 0 HD13 ILE C 119 23.519 11.942 -24.487 1.00 0.00 H new ATOM 482 N MET C 120 23.794 8.453 -20.247 1.00 0.00 N ATOM 483 CA MET C 120 23.968 8.280 -18.766 1.00 0.00 C ATOM 484 C MET C 120 25.444 8.169 -18.418 1.00 0.00 C ATOM 485 O MET C 120 25.917 8.823 -17.504 1.00 0.00 O ATOM 486 CB MET C 120 23.254 6.961 -18.418 1.00 0.00 C ATOM 487 CG MET C 120 21.743 7.179 -18.302 1.00 0.00 C ATOM 488 SD MET C 120 21.428 8.322 -16.927 1.00 0.00 S ATOM 489 CE MET C 120 22.219 7.336 -15.604 1.00 0.00 C ATOM 0 H MET C 120 23.224 7.743 -20.706 1.00 0.00 H new ATOM 0 HA MET C 120 23.561 9.127 -18.213 1.00 0.00 H new ATOM 0 HB2 MET C 120 23.461 6.216 -19.186 1.00 0.00 H new ATOM 0 HB3 MET C 120 23.643 6.568 -17.479 1.00 0.00 H new ATOM 0 HG2 MET C 120 21.347 7.587 -19.232 1.00 0.00 H new ATOM 0 HG3 MET C 120 21.236 6.230 -18.129 1.00 0.00 H new ATOM 0 HE1 MET C 120 21.699 7.508 -14.662 1.00 0.00 H new ATOM 0 HE2 MET C 120 22.168 6.277 -15.859 1.00 0.00 H new ATOM 0 HE3 MET C 120 23.262 7.635 -15.502 1.00 0.00 H new ATOM 499 N LEU C 121 26.197 7.406 -19.159 1.00 0.00 N ATOM 500 CA LEU C 121 27.660 7.314 -18.857 1.00 0.00 C ATOM 501 C LEU C 121 28.335 8.681 -19.083 1.00 0.00 C ATOM 502 O LEU C 121 29.158 9.114 -18.285 1.00 0.00 O ATOM 503 CB LEU C 121 28.228 6.247 -19.812 1.00 0.00 C ATOM 504 CG LEU C 121 27.554 4.875 -19.570 1.00 0.00 C ATOM 505 CD1 LEU C 121 28.272 3.799 -20.383 1.00 0.00 C ATOM 506 CD2 LEU C 121 27.620 4.506 -18.080 1.00 0.00 C ATOM 0 H LEU C 121 25.874 6.848 -19.950 1.00 0.00 H new ATOM 0 HA LEU C 121 27.843 7.040 -17.818 1.00 0.00 H new ATOM 0 HB2 LEU C 121 28.071 6.557 -20.845 1.00 0.00 H new ATOM 0 HB3 LEU C 121 29.305 6.159 -19.666 1.00 0.00 H new ATOM 0 HG LEU C 121 26.511 4.939 -19.879 1.00 0.00 H new ATOM 0 HD11 LEU C 121 27.795 2.834 -20.211 1.00 0.00 H new ATOM 0 HD12 LEU C 121 28.217 4.047 -21.443 1.00 0.00 H new ATOM 0 HD13 LEU C 121 29.317 3.748 -20.076 1.00 0.00 H new ATOM 0 HD21 LEU C 121 27.142 3.539 -17.923 1.00 0.00 H new ATOM 0 HD22 LEU C 121 28.662 4.452 -17.764 1.00 0.00 H new ATOM 0 HD23 LEU C 121 27.103 5.265 -17.494 1.00 0.00 H new ATOM 518 N GLN C 122 27.959 9.380 -20.135 1.00 0.00 N ATOM 519 CA GLN C 122 28.554 10.745 -20.406 1.00 0.00 C ATOM 520 C GLN C 122 28.198 11.734 -19.278 1.00 0.00 C ATOM 521 O GLN C 122 29.027 12.536 -18.880 1.00 0.00 O ATOM 522 CB GLN C 122 27.923 11.214 -21.732 1.00 0.00 C ATOM 523 CG GLN C 122 28.396 10.327 -22.898 1.00 0.00 C ATOM 524 CD GLN C 122 29.693 10.889 -23.467 1.00 0.00 C ATOM 525 OE1 GLN C 122 29.667 11.842 -24.216 1.00 0.00 O ATOM 526 NE2 GLN C 122 30.824 10.362 -23.145 1.00 0.00 N ATOM 0 H GLN C 122 27.268 9.069 -20.818 1.00 0.00 H new ATOM 0 HA GLN C 122 29.642 10.699 -20.459 1.00 0.00 H new ATOM 0 HB2 GLN C 122 26.836 11.177 -21.657 1.00 0.00 H new ATOM 0 HB3 GLN C 122 28.195 12.252 -21.924 1.00 0.00 H new ATOM 0 HG2 GLN C 122 28.550 9.305 -22.553 1.00 0.00 H new ATOM 0 HG3 GLN C 122 27.632 10.289 -23.674 1.00 0.00 H new ATOM 0 HE21 GLN C 122 30.852 9.560 -22.515 1.00 0.00 H new ATOM 0 HE22 GLN C 122 31.691 10.747 -23.520 1.00 0.00 H new ATOM 535 N ALA C 123 26.986 11.663 -18.736 1.00 0.00 N ATOM 536 CA ALA C 123 26.613 12.595 -17.599 1.00 0.00 C ATOM 537 C ALA C 123 27.428 12.208 -16.371 1.00 0.00 C ATOM 538 O ALA C 123 27.898 13.046 -15.637 1.00 0.00 O ATOM 539 CB ALA C 123 25.115 12.372 -17.341 1.00 0.00 C ATOM 0 H ALA C 123 26.254 11.014 -19.025 1.00 0.00 H new ATOM 0 HA ALA C 123 26.814 13.641 -17.830 1.00 0.00 H new ATOM 0 HB1 ALA C 123 24.786 13.019 -16.528 1.00 0.00 H new ATOM 0 HB2 ALA C 123 24.551 12.608 -18.244 1.00 0.00 H new ATOM 0 HB3 ALA C 123 24.944 11.331 -17.068 1.00 0.00 H new ATOM 545 N THR C 124 27.610 10.932 -16.178 1.00 0.00 N ATOM 546 CA THR C 124 28.430 10.421 -15.045 1.00 0.00 C ATOM 547 C THR C 124 29.895 10.947 -15.178 1.00 0.00 C ATOM 548 O THR C 124 30.542 11.243 -14.189 1.00 0.00 O ATOM 549 CB THR C 124 28.327 8.878 -15.175 1.00 0.00 C ATOM 550 OG1 THR C 124 26.945 8.508 -15.279 1.00 0.00 O ATOM 551 CG2 THR C 124 28.851 8.226 -13.933 1.00 0.00 C ATOM 0 H THR C 124 27.215 10.204 -16.773 1.00 0.00 H new ATOM 0 HA THR C 124 28.091 10.753 -14.063 1.00 0.00 H new ATOM 0 HB THR C 124 28.896 8.565 -16.050 1.00 0.00 H new ATOM 0 HG1 THR C 124 26.731 8.300 -16.213 1.00 0.00 H new ATOM 0 HG21 THR C 124 28.776 7.143 -14.031 1.00 0.00 H new ATOM 0 HG22 THR C 124 29.895 8.506 -13.788 1.00 0.00 H new ATOM 0 HG23 THR C 124 28.265 8.554 -13.075 1.00 0.00 H new ATOM 559 N GLY C 125 30.409 11.070 -16.388 1.00 0.00 N ATOM 560 CA GLY C 125 31.802 11.613 -16.580 1.00 0.00 C ATOM 561 C GLY C 125 32.820 10.485 -16.772 1.00 0.00 C ATOM 562 O GLY C 125 33.928 10.730 -17.234 1.00 0.00 O ATOM 0 H GLY C 125 29.924 10.818 -17.249 1.00 0.00 H new ATOM 0 HA2 GLY C 125 31.820 12.273 -17.447 1.00 0.00 H new ATOM 0 HA3 GLY C 125 32.082 12.215 -15.715 1.00 0.00 H new ATOM 566 N GLU C 126 32.453 9.246 -16.464 1.00 0.00 N ATOM 567 CA GLU C 126 33.410 8.089 -16.629 1.00 0.00 C ATOM 568 C GLU C 126 33.919 8.047 -18.070 1.00 0.00 C ATOM 569 O GLU C 126 33.174 8.316 -19.003 1.00 0.00 O ATOM 570 CB GLU C 126 32.568 6.821 -16.363 1.00 0.00 C ATOM 571 CG GLU C 126 31.992 6.824 -14.926 1.00 0.00 C ATOM 572 CD GLU C 126 33.101 6.994 -13.913 1.00 0.00 C ATOM 573 OE1 GLU C 126 34.023 6.226 -13.930 1.00 0.00 O ATOM 574 OE2 GLU C 126 33.011 7.896 -13.131 1.00 0.00 O1- ATOM 0 H GLU C 126 31.532 8.991 -16.106 1.00 0.00 H new ATOM 0 HA GLU C 126 34.266 8.172 -15.960 1.00 0.00 H new ATOM 0 HB2 GLU C 126 31.753 6.764 -17.084 1.00 0.00 H new ATOM 0 HB3 GLU C 126 33.185 5.934 -16.509 1.00 0.00 H new ATOM 0 HG2 GLU C 126 31.267 7.631 -14.820 1.00 0.00 H new ATOM 0 HG3 GLU C 126 31.460 5.891 -14.739 1.00 0.00 H new ATOM 581 N THR C 127 35.143 7.667 -18.274 1.00 0.00 N ATOM 582 CA THR C 127 35.663 7.540 -19.669 1.00 0.00 C ATOM 583 C THR C 127 34.897 6.370 -20.328 1.00 0.00 C ATOM 584 O THR C 127 34.863 5.273 -19.790 1.00 0.00 O ATOM 585 CB THR C 127 37.182 7.200 -19.508 1.00 0.00 C ATOM 586 OG1 THR C 127 37.450 6.724 -18.174 1.00 0.00 O ATOM 587 CG2 THR C 127 38.028 8.455 -19.759 1.00 0.00 C ATOM 0 H THR C 127 35.812 7.437 -17.539 1.00 0.00 H new ATOM 0 HA THR C 127 35.535 8.433 -20.282 1.00 0.00 H new ATOM 0 HB THR C 127 37.438 6.426 -20.231 1.00 0.00 H new ATOM 0 HG1 THR C 127 38.403 6.513 -18.087 1.00 0.00 H new ATOM 0 HG21 THR C 127 39.084 8.211 -19.645 1.00 0.00 H new ATOM 0 HG22 THR C 127 37.847 8.820 -20.770 1.00 0.00 H new ATOM 0 HG23 THR C 127 37.755 9.228 -19.040 1.00 0.00 H new ATOM 595 N ILE C 128 34.231 6.609 -21.427 1.00 0.00 N ATOM 596 CA ILE C 128 33.407 5.525 -22.070 1.00 0.00 C ATOM 597 C ILE C 128 33.982 5.210 -23.455 1.00 0.00 C ATOM 598 O ILE C 128 34.298 6.122 -24.215 1.00 0.00 O ATOM 599 CB ILE C 128 31.975 6.135 -22.230 1.00 0.00 C ATOM 600 CG1 ILE C 128 31.463 6.741 -20.901 1.00 0.00 C ATOM 601 CG2 ILE C 128 30.997 5.043 -22.663 1.00 0.00 C ATOM 602 CD1 ILE C 128 31.558 5.714 -19.760 1.00 0.00 C ATOM 0 H ILE C 128 34.218 7.506 -21.912 1.00 0.00 H new ATOM 0 HA ILE C 128 33.400 4.607 -21.482 1.00 0.00 H new ATOM 0 HB ILE C 128 32.036 6.924 -22.980 1.00 0.00 H new ATOM 0 HG12 ILE C 128 32.049 7.625 -20.650 1.00 0.00 H new ATOM 0 HG13 ILE C 128 30.429 7.066 -21.019 1.00 0.00 H new ATOM 0 HG21 ILE C 128 30.000 5.470 -22.774 1.00 0.00 H new ATOM 0 HG22 ILE C 128 31.320 4.623 -23.616 1.00 0.00 H new ATOM 0 HG23 ILE C 128 30.973 4.256 -21.909 1.00 0.00 H new ATOM 0 HD11 ILE C 128 31.193 6.162 -18.836 1.00 0.00 H new ATOM 0 HD12 ILE C 128 30.952 4.841 -20.004 1.00 0.00 H new ATOM 0 HD13 ILE C 128 32.597 5.410 -19.630 1.00 0.00 H new ATOM 614 N THR C 129 34.027 3.961 -23.829 1.00 0.00 N ATOM 615 CA THR C 129 34.460 3.602 -25.207 1.00 0.00 C ATOM 616 C THR C 129 33.229 3.026 -25.949 1.00 0.00 C ATOM 617 O THR C 129 32.304 2.501 -25.324 1.00 0.00 O ATOM 618 CB THR C 129 35.587 2.545 -25.020 1.00 0.00 C ATOM 619 OG1 THR C 129 35.145 1.484 -24.165 1.00 0.00 O ATOM 620 CG2 THR C 129 36.814 3.214 -24.386 1.00 0.00 C ATOM 0 H THR C 129 33.781 3.169 -23.235 1.00 0.00 H new ATOM 0 HA THR C 129 34.835 4.441 -25.794 1.00 0.00 H new ATOM 0 HB THR C 129 35.843 2.134 -25.997 1.00 0.00 H new ATOM 0 HG1 THR C 129 35.312 0.622 -24.600 1.00 0.00 H new ATOM 0 HG21 THR C 129 37.604 2.475 -24.254 1.00 0.00 H new ATOM 0 HG22 THR C 129 37.169 4.013 -25.036 1.00 0.00 H new ATOM 0 HG23 THR C 129 36.541 3.630 -23.416 1.00 0.00 H new ATOM 628 N GLU C 130 33.166 3.173 -27.255 1.00 0.00 N ATOM 629 CA GLU C 130 31.944 2.683 -28.014 1.00 0.00 C ATOM 630 C GLU C 130 31.802 1.166 -27.820 1.00 0.00 C ATOM 631 O GLU C 130 30.710 0.653 -27.609 1.00 0.00 O ATOM 632 CB GLU C 130 32.258 2.976 -29.486 1.00 0.00 C ATOM 633 CG GLU C 130 32.362 4.509 -29.733 1.00 0.00 C ATOM 634 CD GLU C 130 32.712 4.799 -31.196 1.00 0.00 C ATOM 635 OE1 GLU C 130 33.127 3.898 -31.890 1.00 0.00 O ATOM 636 OE2 GLU C 130 32.597 5.929 -31.590 1.00 0.00 O1- ATOM 0 H GLU C 130 33.891 3.603 -27.829 1.00 0.00 H new ATOM 0 HA GLU C 130 31.023 3.160 -27.678 1.00 0.00 H new ATOM 0 HB2 GLU C 130 33.194 2.493 -29.766 1.00 0.00 H new ATOM 0 HB3 GLU C 130 31.479 2.553 -30.120 1.00 0.00 H new ATOM 0 HG2 GLU C 130 31.417 4.988 -29.478 1.00 0.00 H new ATOM 0 HG3 GLU C 130 33.123 4.937 -29.080 1.00 0.00 H new ATOM 643 N ASP C 131 32.907 0.468 -27.839 1.00 0.00 N ATOM 644 CA ASP C 131 32.909 -1.020 -27.618 1.00 0.00 C ATOM 645 C ASP C 131 32.324 -1.376 -26.239 1.00 0.00 C ATOM 646 O ASP C 131 31.508 -2.293 -26.136 1.00 0.00 O ATOM 647 CB ASP C 131 34.405 -1.463 -27.704 1.00 0.00 C ATOM 648 CG ASP C 131 35.325 -0.494 -26.943 1.00 0.00 C ATOM 649 OD1 ASP C 131 35.500 -0.653 -25.763 1.00 0.00 O ATOM 650 OD2 ASP C 131 35.814 0.427 -27.569 1.00 0.00 O1- ATOM 0 H ASP C 131 33.830 0.870 -28.001 1.00 0.00 H new ATOM 0 HA ASP C 131 32.293 -1.528 -28.360 1.00 0.00 H new ATOM 0 HB2 ASP C 131 34.512 -2.467 -27.293 1.00 0.00 H new ATOM 0 HB3 ASP C 131 34.711 -1.512 -28.749 1.00 0.00 H new ATOM 655 N ASP C 132 32.705 -0.657 -25.187 1.00 0.00 N ATOM 656 CA ASP C 132 32.141 -0.941 -23.810 1.00 0.00 C ATOM 657 C ASP C 132 30.645 -0.683 -23.815 1.00 0.00 C ATOM 658 O ASP C 132 29.856 -1.511 -23.374 1.00 0.00 O ATOM 659 CB ASP C 132 32.835 0.058 -22.859 1.00 0.00 C ATOM 660 CG ASP C 132 32.423 -0.186 -21.401 1.00 0.00 C ATOM 661 OD1 ASP C 132 32.117 -1.315 -21.045 1.00 0.00 O1- ATOM 662 OD2 ASP C 132 32.450 0.768 -20.654 1.00 0.00 O ATOM 0 H ASP C 132 33.378 0.109 -25.225 1.00 0.00 H new ATOM 0 HA ASP C 132 32.309 -1.974 -23.505 1.00 0.00 H new ATOM 0 HB2 ASP C 132 33.917 -0.036 -22.955 1.00 0.00 H new ATOM 0 HB3 ASP C 132 32.577 1.077 -23.147 1.00 0.00 H new ATOM 667 N ILE C 133 30.228 0.431 -24.393 1.00 0.00 N ATOM 668 CA ILE C 133 28.755 0.723 -24.491 1.00 0.00 C ATOM 669 C ILE C 133 28.076 -0.449 -25.207 1.00 0.00 C ATOM 670 O ILE C 133 27.045 -0.947 -24.760 1.00 0.00 O ATOM 671 CB ILE C 133 28.637 2.019 -25.344 1.00 0.00 C ATOM 672 CG1 ILE C 133 29.347 3.188 -24.639 1.00 0.00 C ATOM 673 CG2 ILE C 133 27.162 2.389 -25.552 1.00 0.00 C ATOM 674 CD1 ILE C 133 29.378 4.401 -25.570 1.00 0.00 C ATOM 0 H ILE C 133 30.839 1.141 -24.796 1.00 0.00 H new ATOM 0 HA ILE C 133 28.284 0.852 -23.517 1.00 0.00 H new ATOM 0 HB ILE C 133 29.107 1.833 -26.310 1.00 0.00 H new ATOM 0 HG12 ILE C 133 28.827 3.439 -23.714 1.00 0.00 H new ATOM 0 HG13 ILE C 133 30.362 2.900 -24.366 1.00 0.00 H new ATOM 0 HG21 ILE C 133 27.096 3.298 -26.150 1.00 0.00 H new ATOM 0 HG22 ILE C 133 26.652 1.576 -26.069 1.00 0.00 H new ATOM 0 HG23 ILE C 133 26.689 2.557 -24.584 1.00 0.00 H new ATOM 0 HD11 ILE C 133 29.881 5.230 -25.071 1.00 0.00 H new ATOM 0 HD12 ILE C 133 29.917 4.146 -26.482 1.00 0.00 H new ATOM 0 HD13 ILE C 133 28.358 4.693 -25.821 1.00 0.00 H new ATOM 686 N GLU C 134 28.661 -0.918 -26.285 1.00 0.00 N ATOM 687 CA GLU C 134 28.068 -2.072 -27.003 1.00 0.00 C ATOM 688 C GLU C 134 28.062 -3.327 -26.145 1.00 0.00 C ATOM 689 O GLU C 134 27.112 -4.089 -26.222 1.00 0.00 O ATOM 690 CB GLU C 134 28.910 -2.282 -28.267 1.00 0.00 C ATOM 691 CG GLU C 134 28.151 -1.714 -29.471 1.00 0.00 C ATOM 692 CD GLU C 134 27.052 -2.675 -29.844 1.00 0.00 C ATOM 693 OE1 GLU C 134 27.346 -3.642 -30.525 1.00 0.00 O ATOM 694 OE2 GLU C 134 25.955 -2.490 -29.408 1.00 0.00 O1- ATOM 0 H GLU C 134 29.520 -0.547 -26.691 1.00 0.00 H new ATOM 0 HA GLU C 134 27.026 -1.869 -27.250 1.00 0.00 H new ATOM 0 HB2 GLU C 134 29.876 -1.787 -28.163 1.00 0.00 H new ATOM 0 HB3 GLU C 134 29.110 -3.343 -28.414 1.00 0.00 H new ATOM 0 HG2 GLU C 134 27.733 -0.737 -29.228 1.00 0.00 H new ATOM 0 HG3 GLU C 134 28.829 -1.570 -30.312 1.00 0.00 H new ATOM 701 N GLU C 135 29.089 -3.579 -25.357 1.00 0.00 N ATOM 702 CA GLU C 135 29.071 -4.823 -24.511 1.00 0.00 C ATOM 703 C GLU C 135 28.024 -4.640 -23.405 1.00 0.00 C ATOM 704 O GLU C 135 27.156 -5.484 -23.222 1.00 0.00 O ATOM 705 CB GLU C 135 30.491 -4.950 -23.913 1.00 0.00 C ATOM 706 CG GLU C 135 30.757 -6.419 -23.511 1.00 0.00 C ATOM 707 CD GLU C 135 30.997 -7.262 -24.759 1.00 0.00 C ATOM 708 OE1 GLU C 135 31.755 -6.847 -25.601 1.00 0.00 O ATOM 709 OE2 GLU C 135 30.373 -8.290 -24.892 1.00 0.00 O1- ATOM 0 H GLU C 135 29.919 -2.993 -25.264 1.00 0.00 H new ATOM 0 HA GLU C 135 28.814 -5.719 -25.077 1.00 0.00 H new ATOM 0 HB2 GLU C 135 31.233 -4.622 -24.641 1.00 0.00 H new ATOM 0 HB3 GLU C 135 30.589 -4.301 -23.043 1.00 0.00 H new ATOM 0 HG2 GLU C 135 31.624 -6.474 -22.852 1.00 0.00 H new ATOM 0 HG3 GLU C 135 29.907 -6.812 -22.953 1.00 0.00 H new ATOM 716 N LEU C 136 28.028 -3.489 -22.739 1.00 0.00 N ATOM 717 CA LEU C 136 26.970 -3.211 -21.695 1.00 0.00 C ATOM 718 C LEU C 136 25.592 -3.278 -22.356 1.00 0.00 C ATOM 719 O LEU C 136 24.637 -3.778 -21.776 1.00 0.00 O ATOM 720 CB LEU C 136 27.238 -1.777 -21.173 1.00 0.00 C ATOM 721 CG LEU C 136 28.635 -1.673 -20.511 1.00 0.00 C ATOM 722 CD1 LEU C 136 28.843 -0.260 -19.972 1.00 0.00 C ATOM 723 CD2 LEU C 136 28.744 -2.666 -19.346 1.00 0.00 C ATOM 0 H LEU C 136 28.710 -2.743 -22.874 1.00 0.00 H new ATOM 0 HA LEU C 136 26.999 -3.935 -20.880 1.00 0.00 H new ATOM 0 HB2 LEU C 136 27.170 -1.068 -21.998 1.00 0.00 H new ATOM 0 HB3 LEU C 136 26.469 -1.500 -20.451 1.00 0.00 H new ATOM 0 HG LEU C 136 29.393 -1.904 -21.259 1.00 0.00 H new ATOM 0 HD11 LEU C 136 29.826 -0.189 -19.507 1.00 0.00 H new ATOM 0 HD12 LEU C 136 28.777 0.455 -20.792 1.00 0.00 H new ATOM 0 HD13 LEU C 136 28.075 -0.036 -19.232 1.00 0.00 H new ATOM 0 HD21 LEU C 136 29.730 -2.584 -18.889 1.00 0.00 H new ATOM 0 HD22 LEU C 136 27.979 -2.440 -18.603 1.00 0.00 H new ATOM 0 HD23 LEU C 136 28.600 -3.680 -19.718 1.00 0.00 H new ATOM 735 N MET C 137 25.479 -2.787 -23.576 1.00 0.00 N ATOM 736 CA MET C 137 24.170 -2.849 -24.292 1.00 0.00 C ATOM 737 C MET C 137 23.727 -4.301 -24.481 1.00 0.00 C ATOM 738 O MET C 137 22.558 -4.590 -24.358 1.00 0.00 O ATOM 739 CB MET C 137 24.398 -2.173 -25.657 1.00 0.00 C ATOM 740 CG MET C 137 23.070 -2.074 -26.417 1.00 0.00 C ATOM 741 SD MET C 137 22.014 -0.837 -25.627 1.00 0.00 S ATOM 742 CE MET C 137 20.434 -1.498 -26.202 1.00 0.00 C ATOM 0 H MET C 137 26.238 -2.349 -24.098 1.00 0.00 H new ATOM 0 HA MET C 137 23.385 -2.348 -23.725 1.00 0.00 H new ATOM 0 HB2 MET C 137 24.821 -1.178 -25.514 1.00 0.00 H new ATOM 0 HB3 MET C 137 25.119 -2.745 -26.240 1.00 0.00 H new ATOM 0 HG2 MET C 137 23.253 -1.801 -27.456 1.00 0.00 H new ATOM 0 HG3 MET C 137 22.570 -3.043 -26.425 1.00 0.00 H new ATOM 0 HE1 MET C 137 19.660 -0.738 -26.093 1.00 0.00 H new ATOM 0 HE2 MET C 137 20.518 -1.782 -27.251 1.00 0.00 H new ATOM 0 HE3 MET C 137 20.169 -2.374 -25.609 1.00 0.00 H new ATOM 752 N LYS C 138 24.638 -5.223 -24.782 1.00 0.00 N ATOM 753 CA LYS C 138 24.185 -6.658 -24.971 1.00 0.00 C ATOM 754 C LYS C 138 23.609 -7.191 -23.676 1.00 0.00 C ATOM 755 O LYS C 138 22.593 -7.862 -23.685 1.00 0.00 O ATOM 756 CB LYS C 138 25.402 -7.504 -25.417 1.00 0.00 C ATOM 757 CG LYS C 138 26.059 -6.872 -26.651 1.00 0.00 C ATOM 758 CD LYS C 138 24.982 -6.529 -27.729 1.00 0.00 C ATOM 759 CE LYS C 138 25.553 -5.748 -28.948 1.00 0.00 C ATOM 760 NZ LYS C 138 26.994 -5.485 -28.691 1.00 0.00 N1+ ATOM 0 H LYS C 138 25.637 -5.053 -24.901 1.00 0.00 H new ATOM 0 HA LYS C 138 23.408 -6.710 -25.734 1.00 0.00 H new ATOM 0 HB2 LYS C 138 26.125 -7.571 -24.604 1.00 0.00 H new ATOM 0 HB3 LYS C 138 25.084 -8.521 -25.646 1.00 0.00 H new ATOM 0 HG2 LYS C 138 26.594 -5.967 -26.362 1.00 0.00 H new ATOM 0 HG3 LYS C 138 26.795 -7.558 -27.070 1.00 0.00 H new ATOM 0 HD2 LYS C 138 24.524 -7.453 -28.081 1.00 0.00 H new ATOM 0 HD3 LYS C 138 24.191 -5.938 -27.267 1.00 0.00 H new ATOM 0 HE2 LYS C 138 25.429 -6.326 -29.863 1.00 0.00 H new ATOM 0 HE3 LYS C 138 25.013 -4.811 -29.087 1.00 0.00 H new ATOM 0 HZ1 LYS C 138 27.420 -5.038 -29.528 1.00 0.00 H new ATOM 0 HZ2 LYS C 138 27.091 -4.850 -27.873 1.00 0.00 H new ATOM 0 HZ3 LYS C 138 27.481 -6.382 -28.492 1.00 0.00 H new ATOM 774 N ASP C 139 24.216 -6.863 -22.539 1.00 0.00 N ATOM 775 CA ASP C 139 23.600 -7.334 -21.255 1.00 0.00 C ATOM 776 C ASP C 139 22.217 -6.710 -21.115 1.00 0.00 C ATOM 777 O ASP C 139 21.294 -7.362 -20.708 1.00 0.00 O ATOM 778 CB ASP C 139 24.483 -6.875 -20.090 1.00 0.00 C ATOM 779 CG ASP C 139 23.964 -7.568 -18.828 1.00 0.00 C ATOM 780 OD1 ASP C 139 23.076 -7.035 -18.191 1.00 0.00 O ATOM 781 OD2 ASP C 139 24.401 -8.657 -18.551 1.00 0.00 O1- ATOM 0 H ASP C 139 25.072 -6.315 -22.454 1.00 0.00 H new ATOM 0 HA ASP C 139 23.516 -8.421 -21.251 1.00 0.00 H new ATOM 0 HB2 ASP C 139 25.526 -7.136 -20.271 1.00 0.00 H new ATOM 0 HB3 ASP C 139 24.441 -5.791 -19.979 1.00 0.00 H new ATOM 786 N GLY C 140 22.065 -5.451 -21.450 1.00 0.00 N ATOM 787 CA GLY C 140 20.721 -4.811 -21.358 1.00 0.00 C ATOM 788 C GLY C 140 19.793 -5.398 -22.419 1.00 0.00 C ATOM 789 O GLY C 140 18.660 -5.744 -22.138 1.00 0.00 O ATOM 0 H GLY C 140 22.813 -4.843 -21.782 1.00 0.00 H new ATOM 0 HA2 GLY C 140 20.300 -4.970 -20.365 1.00 0.00 H new ATOM 0 HA3 GLY C 140 20.811 -3.734 -21.497 1.00 0.00 H new ATOM 793 N ASP C 141 20.263 -5.523 -23.637 1.00 0.00 N ATOM 794 CA ASP C 141 19.415 -6.091 -24.745 1.00 0.00 C ATOM 795 C ASP C 141 19.554 -7.616 -24.755 1.00 0.00 C ATOM 796 O ASP C 141 20.032 -8.209 -25.704 1.00 0.00 O ATOM 797 CB ASP C 141 19.973 -5.471 -26.051 1.00 0.00 C ATOM 798 CG ASP C 141 19.114 -5.844 -27.248 1.00 0.00 C ATOM 799 OD1 ASP C 141 17.905 -5.976 -27.097 1.00 0.00 O ATOM 800 OD2 ASP C 141 19.643 -5.980 -28.297 1.00 0.00 O1- ATOM 0 H ASP C 141 21.206 -5.255 -23.918 1.00 0.00 H new ATOM 0 HA ASP C 141 18.356 -5.862 -24.626 1.00 0.00 H new ATOM 0 HB2 ASP C 141 20.013 -4.386 -25.953 1.00 0.00 H new ATOM 0 HB3 ASP C 141 20.995 -5.815 -26.212 1.00 0.00 H new ATOM 805 N LYS C 142 19.108 -8.243 -23.711 1.00 0.00 N ATOM 806 CA LYS C 142 19.209 -9.747 -23.595 1.00 0.00 C ATOM 807 C LYS C 142 18.418 -10.438 -24.723 1.00 0.00 C ATOM 808 O LYS C 142 18.767 -11.522 -25.150 1.00 0.00 O ATOM 809 CB LYS C 142 18.655 -10.090 -22.203 1.00 0.00 C ATOM 810 CG LYS C 142 19.504 -9.332 -21.164 1.00 0.00 C ATOM 811 CD LYS C 142 19.164 -9.734 -19.735 1.00 0.00 C ATOM 812 CE LYS C 142 19.809 -8.702 -18.762 1.00 0.00 C ATOM 813 NZ LYS C 142 21.261 -9.003 -18.726 1.00 0.00 N1+ ATOM 0 H LYS C 142 18.669 -7.785 -22.913 1.00 0.00 H new ATOM 0 HA LYS C 142 20.235 -10.100 -23.701 1.00 0.00 H new ATOM 0 HB2 LYS C 142 17.607 -9.800 -22.126 1.00 0.00 H new ATOM 0 HB3 LYS C 142 18.703 -11.164 -22.026 1.00 0.00 H new ATOM 0 HG2 LYS C 142 20.560 -9.524 -21.351 1.00 0.00 H new ATOM 0 HG3 LYS C 142 19.349 -8.260 -21.284 1.00 0.00 H new ATOM 0 HD2 LYS C 142 18.083 -9.760 -19.596 1.00 0.00 H new ATOM 0 HD3 LYS C 142 19.537 -10.736 -19.525 1.00 0.00 H new ATOM 0 HE2 LYS C 142 19.633 -7.683 -19.106 1.00 0.00 H new ATOM 0 HE3 LYS C 142 19.372 -8.782 -17.767 1.00 0.00 H new ATOM 0 HZ1 LYS C 142 21.716 -8.429 -17.988 1.00 0.00 H new ATOM 0 HZ2 LYS C 142 21.401 -10.012 -18.516 1.00 0.00 H new ATOM 0 HZ3 LYS C 142 21.685 -8.779 -19.649 1.00 0.00 H new ATOM 827 N ASN C 143 17.358 -9.818 -25.209 1.00 0.00 N ATOM 828 CA ASN C 143 16.570 -10.437 -26.341 1.00 0.00 C ATOM 829 C ASN C 143 17.213 -10.087 -27.725 1.00 0.00 C ATOM 830 O ASN C 143 16.680 -10.452 -28.754 1.00 0.00 O ATOM 831 CB ASN C 143 15.155 -9.844 -26.222 1.00 0.00 C ATOM 832 CG ASN C 143 14.177 -10.665 -27.061 1.00 0.00 C ATOM 833 OD1 ASN C 143 13.741 -11.710 -26.644 1.00 0.00 O ATOM 834 ND2 ASN C 143 13.814 -10.242 -28.231 1.00 0.00 N ATOM 0 H ASN C 143 17.006 -8.920 -24.876 1.00 0.00 H new ATOM 0 HA ASN C 143 16.557 -11.525 -26.279 1.00 0.00 H new ATOM 0 HB2 ASN C 143 14.839 -9.840 -25.179 1.00 0.00 H new ATOM 0 HB3 ASN C 143 15.156 -8.807 -26.559 1.00 0.00 H new ATOM 0 HD21 ASN C 143 13.164 -10.792 -28.793 1.00 0.00 H new ATOM 0 HD22 ASN C 143 14.178 -9.360 -28.590 1.00 0.00 H new ATOM 841 N ASN C 144 18.355 -9.381 -27.748 1.00 0.00 N ATOM 842 CA ASN C 144 19.067 -9.012 -29.054 1.00 0.00 C ATOM 843 C ASN C 144 18.114 -8.284 -30.036 1.00 0.00 C ATOM 844 O ASN C 144 18.108 -8.542 -31.239 1.00 0.00 O ATOM 845 CB ASN C 144 19.584 -10.332 -29.661 1.00 0.00 C ATOM 846 CG ASN C 144 20.723 -10.030 -30.648 1.00 0.00 C ATOM 847 OD1 ASN C 144 21.881 -10.124 -30.305 1.00 0.00 O ATOM 848 ND2 ASN C 144 20.451 -9.636 -31.851 1.00 0.00 N ATOM 0 H ASN C 144 18.826 -9.043 -26.909 1.00 0.00 H new ATOM 0 HA ASN C 144 19.887 -8.321 -28.861 1.00 0.00 H new ATOM 0 HB2 ASN C 144 19.939 -10.994 -28.871 1.00 0.00 H new ATOM 0 HB3 ASN C 144 18.774 -10.852 -30.172 1.00 0.00 H new ATOM 0 HD21 ASN C 144 21.207 -9.409 -32.497 1.00 0.00 H new ATOM 0 HD22 ASN C 144 19.480 -9.552 -32.153 1.00 0.00 H new ATOM 855 N ASP C 145 17.354 -7.342 -29.545 1.00 0.00 N ATOM 856 CA ASP C 145 16.446 -6.516 -30.437 1.00 0.00 C ATOM 857 C ASP C 145 17.031 -5.097 -30.685 1.00 0.00 C ATOM 858 O ASP C 145 16.364 -4.249 -31.252 1.00 0.00 O ATOM 859 CB ASP C 145 15.051 -6.447 -29.728 1.00 0.00 C ATOM 860 CG ASP C 145 15.191 -6.083 -28.277 1.00 0.00 C ATOM 861 OD1 ASP C 145 15.269 -4.979 -27.952 1.00 0.00 O1- ATOM 862 OD2 ASP C 145 15.286 -6.921 -27.479 1.00 0.00 O ATOM 0 H ASP C 145 17.314 -7.097 -28.556 1.00 0.00 H new ATOM 0 HA ASP C 145 16.352 -6.976 -31.421 1.00 0.00 H new ATOM 0 HB2 ASP C 145 14.422 -5.712 -30.230 1.00 0.00 H new ATOM 0 HB3 ASP C 145 14.548 -7.410 -29.816 1.00 0.00 H new ATOM 867 N GLY C 146 18.257 -4.829 -30.265 1.00 0.00 N ATOM 868 CA GLY C 146 18.912 -3.481 -30.502 1.00 0.00 C ATOM 869 C GLY C 146 18.534 -2.456 -29.407 1.00 0.00 C ATOM 870 O GLY C 146 18.975 -1.312 -29.446 1.00 0.00 O ATOM 0 H GLY C 146 18.842 -5.495 -29.761 1.00 0.00 H new ATOM 0 HA2 GLY C 146 19.995 -3.603 -30.527 1.00 0.00 H new ATOM 0 HA3 GLY C 146 18.612 -3.098 -31.477 1.00 0.00 H new ATOM 874 N ARG C 147 17.706 -2.826 -28.455 1.00 0.00 N ATOM 875 CA ARG C 147 17.274 -1.872 -27.371 1.00 0.00 C ATOM 876 C ARG C 147 16.889 -2.665 -26.111 1.00 0.00 C ATOM 877 O ARG C 147 16.733 -3.902 -26.148 1.00 0.00 O ATOM 878 CB ARG C 147 16.051 -1.128 -27.964 1.00 0.00 C ATOM 879 CG ARG C 147 14.972 -2.146 -28.328 1.00 0.00 C ATOM 880 CD ARG C 147 13.940 -1.544 -29.269 1.00 0.00 C ATOM 881 NE ARG C 147 13.249 -2.733 -29.845 1.00 0.00 N ATOM 882 CZ ARG C 147 12.149 -3.178 -29.305 1.00 0.00 C ATOM 883 NH1 ARG C 147 11.004 -2.632 -29.647 1.00 0.00 N ATOM 884 NH2 ARG C 147 12.215 -4.135 -28.398 1.00 0.00 N1+ ATOM 0 H ARG C 147 17.304 -3.761 -28.380 1.00 0.00 H new ATOM 0 HA ARG C 147 18.059 -1.175 -27.077 1.00 0.00 H new ATOM 0 HB2 ARG C 147 15.662 -0.410 -27.242 1.00 0.00 H new ATOM 0 HB3 ARG C 147 16.347 -0.563 -28.848 1.00 0.00 H new ATOM 0 HG2 ARG C 147 15.433 -3.015 -28.798 1.00 0.00 H new ATOM 0 HG3 ARG C 147 14.480 -2.497 -27.421 1.00 0.00 H new ATOM 0 HD2 ARG C 147 13.244 -0.895 -28.737 1.00 0.00 H new ATOM 0 HD3 ARG C 147 14.410 -0.940 -30.045 1.00 0.00 H new ATOM 0 HE ARG C 147 13.638 -3.200 -30.664 1.00 0.00 H new ATOM 0 HH11 ARG C 147 10.984 -1.871 -30.326 1.00 0.00 H new ATOM 0 HH12 ARG C 147 10.135 -2.969 -29.233 1.00 0.00 H new ATOM 0 HH21 ARG C 147 13.120 -4.519 -28.126 1.00 0.00 H new ATOM 0 HH22 ARG C 147 11.361 -4.491 -27.969 1.00 0.00 H new ATOM 898 N ILE C 148 16.662 -2.009 -25.023 1.00 0.00 N ATOM 899 CA ILE C 148 16.199 -2.749 -23.808 1.00 0.00 C ATOM 900 C ILE C 148 14.750 -2.346 -23.570 1.00 0.00 C ATOM 901 O ILE C 148 14.456 -1.166 -23.407 1.00 0.00 O ATOM 902 CB ILE C 148 17.080 -2.236 -22.655 1.00 0.00 C ATOM 903 CG1 ILE C 148 18.559 -2.356 -23.027 1.00 0.00 C ATOM 904 CG2 ILE C 148 16.816 -3.061 -21.386 1.00 0.00 C ATOM 905 CD1 ILE C 148 19.394 -1.766 -21.912 1.00 0.00 C ATOM 0 H ILE C 148 16.772 -1.001 -24.910 1.00 0.00 H new ATOM 0 HA ILE C 148 16.268 -3.833 -23.901 1.00 0.00 H new ATOM 0 HB ILE C 148 16.835 -1.190 -22.472 1.00 0.00 H new ATOM 0 HG12 ILE C 148 18.825 -3.401 -23.184 1.00 0.00 H new ATOM 0 HG13 ILE C 148 18.756 -1.833 -23.963 1.00 0.00 H new ATOM 0 HG21 ILE C 148 17.443 -2.692 -20.575 1.00 0.00 H new ATOM 0 HG22 ILE C 148 15.767 -2.969 -21.104 1.00 0.00 H new ATOM 0 HG23 ILE C 148 17.050 -4.108 -21.578 1.00 0.00 H new ATOM 0 HD11 ILE C 148 20.451 -1.846 -22.167 1.00 0.00 H new ATOM 0 HD12 ILE C 148 19.132 -0.717 -21.778 1.00 0.00 H new ATOM 0 HD13 ILE C 148 19.202 -2.309 -20.987 1.00 0.00 H new ATOM 917 N ASP C 149 13.854 -3.282 -23.517 1.00 0.00 N ATOM 918 CA ASP C 149 12.432 -2.921 -23.221 1.00 0.00 C ATOM 919 C ASP C 149 12.202 -3.064 -21.721 1.00 0.00 C ATOM 920 O ASP C 149 13.138 -3.319 -20.954 1.00 0.00 O ATOM 921 CB ASP C 149 11.513 -3.882 -24.049 1.00 0.00 C ATOM 922 CG ASP C 149 11.273 -5.197 -23.326 1.00 0.00 C ATOM 923 OD1 ASP C 149 12.159 -5.996 -23.322 1.00 0.00 O ATOM 924 OD2 ASP C 149 10.199 -5.374 -22.790 1.00 0.00 O1- ATOM 0 H ASP C 149 14.034 -4.275 -23.663 1.00 0.00 H new ATOM 0 HA ASP C 149 12.202 -1.893 -23.500 1.00 0.00 H new ATOM 0 HB2 ASP C 149 10.558 -3.394 -24.242 1.00 0.00 H new ATOM 0 HB3 ASP C 149 11.972 -4.079 -25.018 1.00 0.00 H new ATOM 929 N TYR C 150 10.992 -2.896 -21.297 1.00 0.00 N ATOM 930 CA TYR C 150 10.657 -3.003 -19.844 1.00 0.00 C ATOM 931 C TYR C 150 11.096 -4.392 -19.305 1.00 0.00 C ATOM 932 O TYR C 150 11.695 -4.490 -18.235 1.00 0.00 O ATOM 933 CB TYR C 150 9.117 -2.866 -19.828 1.00 0.00 C ATOM 934 CG TYR C 150 8.580 -2.842 -18.419 1.00 0.00 C ATOM 935 CD1 TYR C 150 8.585 -1.651 -17.686 1.00 0.00 C ATOM 936 CD2 TYR C 150 8.054 -4.006 -17.855 1.00 0.00 C ATOM 937 CE1 TYR C 150 8.074 -1.631 -16.389 1.00 0.00 C ATOM 938 CE2 TYR C 150 7.543 -3.983 -16.559 1.00 0.00 C ATOM 939 CZ TYR C 150 7.547 -2.800 -15.826 1.00 0.00 C ATOM 940 OH TYR C 150 7.044 -2.797 -14.536 1.00 0.00 O ATOM 0 H TYR C 150 10.198 -2.684 -21.901 1.00 0.00 H new ATOM 0 HA TYR C 150 11.153 -2.259 -19.221 1.00 0.00 H new ATOM 0 HB2 TYR C 150 8.826 -1.951 -20.345 1.00 0.00 H new ATOM 0 HB3 TYR C 150 8.671 -3.697 -20.375 1.00 0.00 H new ATOM 0 HD1 TYR C 150 8.984 -0.748 -18.124 1.00 0.00 H new ATOM 0 HD2 TYR C 150 8.043 -4.924 -18.423 1.00 0.00 H new ATOM 0 HE1 TYR C 150 8.085 -0.714 -15.818 1.00 0.00 H new ATOM 0 HE2 TYR C 150 7.143 -4.886 -16.122 1.00 0.00 H new ATOM 0 HH TYR C 150 6.686 -1.909 -14.327 1.00 0.00 H new ATOM 950 N ASP C 151 10.836 -5.452 -20.054 1.00 0.00 N ATOM 951 CA ASP C 151 11.250 -6.842 -19.606 1.00 0.00 C ATOM 952 C ASP C 151 12.774 -6.946 -19.563 1.00 0.00 C ATOM 953 O ASP C 151 13.348 -7.302 -18.532 1.00 0.00 O ATOM 954 CB ASP C 151 10.695 -7.784 -20.684 1.00 0.00 C ATOM 955 CG ASP C 151 10.334 -9.129 -20.092 1.00 0.00 C ATOM 956 OD1 ASP C 151 11.153 -9.727 -19.439 1.00 0.00 O ATOM 957 OD2 ASP C 151 9.216 -9.535 -20.278 1.00 0.00 O1- ATOM 0 H ASP C 151 10.357 -5.418 -20.954 1.00 0.00 H new ATOM 0 HA ASP C 151 10.877 -7.083 -18.610 1.00 0.00 H new ATOM 0 HB2 ASP C 151 9.814 -7.337 -21.145 1.00 0.00 H new ATOM 0 HB3 ASP C 151 11.435 -7.916 -21.473 1.00 0.00 H new ATOM 962 N GLU C 152 13.459 -6.566 -20.649 1.00 0.00 N ATOM 963 CA GLU C 152 14.969 -6.629 -20.630 1.00 0.00 C ATOM 964 C GLU C 152 15.508 -5.722 -19.523 1.00 0.00 C ATOM 965 O GLU C 152 16.517 -6.026 -18.905 1.00 0.00 O ATOM 966 CB GLU C 152 15.468 -6.106 -21.995 1.00 0.00 C ATOM 967 CG GLU C 152 15.046 -7.039 -23.145 1.00 0.00 C ATOM 968 CD GLU C 152 15.558 -6.480 -24.443 1.00 0.00 C ATOM 969 OE1 GLU C 152 15.049 -5.523 -24.931 1.00 0.00 O1- ATOM 970 OE2 GLU C 152 16.474 -6.981 -24.971 1.00 0.00 O ATOM 0 H GLU C 152 13.044 -6.227 -21.517 1.00 0.00 H new ATOM 0 HA GLU C 152 15.308 -7.649 -20.449 1.00 0.00 H new ATOM 0 HB2 GLU C 152 15.069 -5.107 -22.171 1.00 0.00 H new ATOM 0 HB3 GLU C 152 16.554 -6.017 -21.977 1.00 0.00 H new ATOM 0 HG2 GLU C 152 15.445 -8.040 -22.983 1.00 0.00 H new ATOM 0 HG3 GLU C 152 13.960 -7.130 -23.177 1.00 0.00 H new ATOM 977 N PHE C 153 14.878 -4.589 -19.292 1.00 0.00 N ATOM 978 CA PHE C 153 15.384 -3.652 -18.236 1.00 0.00 C ATOM 979 C PHE C 153 15.325 -4.333 -16.862 1.00 0.00 C ATOM 980 O PHE C 153 16.275 -4.262 -16.098 1.00 0.00 O ATOM 981 CB PHE C 153 14.465 -2.428 -18.283 1.00 0.00 C ATOM 982 CG PHE C 153 15.057 -1.302 -17.455 1.00 0.00 C ATOM 983 CD1 PHE C 153 16.009 -0.449 -18.026 1.00 0.00 C ATOM 984 CD2 PHE C 153 14.648 -1.102 -16.131 1.00 0.00 C ATOM 985 CE1 PHE C 153 16.552 0.598 -17.279 1.00 0.00 C ATOM 986 CE2 PHE C 153 15.195 -0.049 -15.383 1.00 0.00 C ATOM 987 CZ PHE C 153 16.145 0.799 -15.959 1.00 0.00 C ATOM 0 H PHE C 153 14.042 -4.276 -19.786 1.00 0.00 H new ATOM 0 HA PHE C 153 16.422 -3.366 -18.407 1.00 0.00 H new ATOM 0 HB2 PHE C 153 14.333 -2.101 -19.315 1.00 0.00 H new ATOM 0 HB3 PHE C 153 13.478 -2.690 -17.903 1.00 0.00 H new ATOM 0 HD1 PHE C 153 16.324 -0.601 -19.048 1.00 0.00 H new ATOM 0 HD2 PHE C 153 13.913 -1.757 -15.687 1.00 0.00 H new ATOM 0 HE1 PHE C 153 17.287 1.253 -17.723 1.00 0.00 H new ATOM 0 HE2 PHE C 153 14.882 0.107 -14.361 1.00 0.00 H new ATOM 0 HZ PHE C 153 16.564 1.610 -15.382 1.00 0.00 H new ATOM 997 N LEU C 154 14.243 -5.033 -16.552 1.00 0.00 N ATOM 998 CA LEU C 154 14.196 -5.762 -15.231 1.00 0.00 C ATOM 999 C LEU C 154 15.351 -6.781 -15.204 1.00 0.00 C ATOM 1000 O LEU C 154 16.042 -6.932 -14.198 1.00 0.00 O ATOM 1001 CB LEU C 154 12.825 -6.470 -15.185 1.00 0.00 C ATOM 1002 CG LEU C 154 12.613 -7.117 -13.800 1.00 0.00 C ATOM 1003 CD1 LEU C 154 12.634 -6.045 -12.706 1.00 0.00 C ATOM 1004 CD2 LEU C 154 11.260 -7.828 -13.765 1.00 0.00 C ATOM 0 H LEU C 154 13.414 -5.129 -17.139 1.00 0.00 H new ATOM 0 HA LEU C 154 14.307 -5.101 -14.372 1.00 0.00 H new ATOM 0 HB2 LEU C 154 12.029 -5.753 -15.387 1.00 0.00 H new ATOM 0 HB3 LEU C 154 12.773 -7.231 -15.963 1.00 0.00 H new ATOM 0 HG LEU C 154 13.416 -7.833 -13.625 1.00 0.00 H new ATOM 0 HD11 LEU C 154 12.483 -6.514 -11.734 1.00 0.00 H new ATOM 0 HD12 LEU C 154 13.596 -5.533 -12.717 1.00 0.00 H new ATOM 0 HD13 LEU C 154 11.837 -5.324 -12.888 1.00 0.00 H new ATOM 0 HD21 LEU C 154 11.114 -8.284 -12.786 1.00 0.00 H new ATOM 0 HD22 LEU C 154 10.465 -7.106 -13.952 1.00 0.00 H new ATOM 0 HD23 LEU C 154 11.236 -8.602 -14.532 1.00 0.00 H new ATOM 1016 N GLU C 155 15.620 -7.426 -16.322 1.00 0.00 N ATOM 1017 CA GLU C 155 16.797 -8.348 -16.381 1.00 0.00 C ATOM 1018 C GLU C 155 18.093 -7.517 -16.265 1.00 0.00 C ATOM 1019 O GLU C 155 19.033 -7.929 -15.640 1.00 0.00 O ATOM 1020 CB GLU C 155 16.723 -9.033 -17.757 1.00 0.00 C ATOM 1021 CG GLU C 155 15.420 -9.867 -17.891 1.00 0.00 C ATOM 1022 CD GLU C 155 15.344 -10.977 -16.842 1.00 0.00 C ATOM 1023 OE1 GLU C 155 16.357 -11.310 -16.233 1.00 0.00 O ATOM 1024 OE2 GLU C 155 14.291 -11.472 -16.622 1.00 0.00 O1- ATOM 0 H GLU C 155 15.080 -7.352 -17.184 1.00 0.00 H new ATOM 0 HA GLU C 155 16.792 -9.082 -15.575 1.00 0.00 H new ATOM 0 HB2 GLU C 155 16.761 -8.281 -18.545 1.00 0.00 H new ATOM 0 HB3 GLU C 155 17.589 -9.680 -17.893 1.00 0.00 H new ATOM 0 HG2 GLU C 155 14.556 -9.210 -17.788 1.00 0.00 H new ATOM 0 HG3 GLU C 155 15.370 -10.305 -18.888 1.00 0.00 H new ATOM 1031 N PHE C 156 18.127 -6.353 -16.880 1.00 0.00 N ATOM 1032 CA PHE C 156 19.342 -5.441 -16.832 1.00 0.00 C ATOM 1033 C PHE C 156 19.690 -5.116 -15.369 1.00 0.00 C ATOM 1034 O PHE C 156 20.833 -5.113 -14.999 1.00 0.00 O ATOM 1035 CB PHE C 156 18.889 -4.174 -17.594 1.00 0.00 C ATOM 1036 CG PHE C 156 20.045 -3.234 -17.871 1.00 0.00 C ATOM 1037 CD1 PHE C 156 21.237 -3.709 -18.448 1.00 0.00 C ATOM 1038 CD2 PHE C 156 19.903 -1.873 -17.587 1.00 0.00 C ATOM 1039 CE1 PHE C 156 22.275 -2.822 -18.734 1.00 0.00 C ATOM 1040 CE2 PHE C 156 20.944 -0.985 -17.866 1.00 0.00 C ATOM 1041 CZ PHE C 156 22.133 -1.459 -18.441 1.00 0.00 C ATOM 0 H PHE C 156 17.350 -5.982 -17.427 1.00 0.00 H new ATOM 0 HA PHE C 156 20.235 -5.885 -17.272 1.00 0.00 H new ATOM 0 HB2 PHE C 156 18.424 -4.464 -18.536 1.00 0.00 H new ATOM 0 HB3 PHE C 156 18.130 -3.653 -17.011 1.00 0.00 H new ATOM 0 HD1 PHE C 156 21.348 -4.760 -18.669 1.00 0.00 H new ATOM 0 HD2 PHE C 156 18.985 -1.507 -17.150 1.00 0.00 H new ATOM 0 HE1 PHE C 156 23.188 -3.186 -19.181 1.00 0.00 H new ATOM 0 HE2 PHE C 156 20.834 0.065 -17.640 1.00 0.00 H new ATOM 0 HZ PHE C 156 22.939 -0.773 -18.658 1.00 0.00 H new ATOM 1051 N MET C 157 18.694 -4.911 -14.522 1.00 0.00 N ATOM 1052 CA MET C 157 18.972 -4.628 -13.050 1.00 0.00 C ATOM 1053 C MET C 157 19.862 -5.737 -12.451 1.00 0.00 C ATOM 1054 O MET C 157 20.670 -5.482 -11.568 1.00 0.00 O ATOM 1055 CB MET C 157 17.606 -4.624 -12.352 1.00 0.00 C ATOM 1056 CG MET C 157 16.795 -3.422 -12.823 1.00 0.00 C ATOM 1057 SD MET C 157 15.239 -3.367 -11.912 1.00 0.00 S ATOM 1058 CE MET C 157 14.580 -1.898 -12.714 1.00 0.00 C ATOM 0 H MET C 157 17.707 -4.926 -14.777 1.00 0.00 H new ATOM 0 HA MET C 157 19.494 -3.680 -12.921 1.00 0.00 H new ATOM 0 HB2 MET C 157 17.070 -5.547 -12.574 1.00 0.00 H new ATOM 0 HB3 MET C 157 17.739 -4.585 -11.271 1.00 0.00 H new ATOM 0 HG2 MET C 157 17.358 -2.502 -12.662 1.00 0.00 H new ATOM 0 HG3 MET C 157 16.602 -3.495 -13.893 1.00 0.00 H new ATOM 0 HE1 MET C 157 14.190 -1.215 -11.959 1.00 0.00 H new ATOM 0 HE2 MET C 157 15.372 -1.404 -13.276 1.00 0.00 H new ATOM 0 HE3 MET C 157 13.777 -2.184 -13.394 1.00 0.00 H new