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 120 MET CE :methyl 160:sc= 0 (180deg=-1.14) USER MOD Set 1.2: C 124 THR OG1 : rot 103:sc= 1.26 USER MOD Set 2.1: C 106 LYS NZ :NH3+ 158:sc= 1.98 (180deg=-0.329) USER MOD Set 2.2: C 107 ASN : amide:sc= 0.879 K(o=2.9,f=-16!) USER MOD Set 3.1: C 98 SER OG : rot -23:sc= 1.86 USER MOD Set 3.2: C 150 TYR OH : rot -15:sc= 0.548 USER MOD Single : C 103 MET CE :methyl -124:sc= -0.153 (180deg=-2.34) USER MOD Single : C 111 TYR OH : rot 180:sc= 0.0756 USER MOD Single : C 118 LYS NZ :NH3+ 151:sc= 2.12 (180deg=-0.0968) USER MOD Single : C 122 GLN : amide:sc= -0.364 K(o=-0.36,f=-3.3!) USER MOD Single : C 127 THR OG1 : rot 140:sc= 1.09 USER MOD Single : C 129 THR OG1 : rot 46:sc= 1.3 USER MOD Single : C 137 MET CE :methyl -161:sc= -0.247 (180deg=-1.04) USER MOD Single : C 138 LYS NZ :NH3+ 136:sc= 0.95 (180deg=-2.06!) USER MOD Single : C 142 LYS NZ :NH3+ -132:sc= 1.84 (180deg=-2.5!) USER MOD Single : C 143 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.65) USER MOD Single : C 144 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.73) USER MOD Single : C 157 MET CE :methyl -154:sc= -3.51 (180deg=-6.52!) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU C 94 6.828 -3.260 -8.315 1.00 0.00 N ATOM 61 CA GLU C 94 7.084 -3.258 -9.793 1.00 0.00 C ATOM 62 C GLU C 94 6.925 -1.830 -10.341 1.00 0.00 C ATOM 63 O GLU C 94 7.641 -1.417 -11.227 1.00 0.00 O ATOM 64 CB GLU C 94 6.022 -4.209 -10.401 1.00 0.00 C ATOM 65 CG GLU C 94 6.286 -5.689 -9.956 1.00 0.00 C ATOM 66 CD GLU C 94 5.673 -6.029 -8.580 1.00 0.00 C ATOM 67 OE1 GLU C 94 4.977 -5.207 -8.004 1.00 0.00 O1- ATOM 68 OE2 GLU C 94 5.928 -7.105 -8.110 1.00 0.00 O ATOM 0 HA GLU C 94 8.093 -3.588 -10.042 1.00 0.00 H new ATOM 0 HB2 GLU C 94 5.026 -3.901 -10.084 1.00 0.00 H new ATOM 0 HB3 GLU C 94 6.045 -4.141 -11.489 1.00 0.00 H new ATOM 0 HG2 GLU C 94 5.877 -6.366 -10.706 1.00 0.00 H new ATOM 0 HG3 GLU C 94 7.361 -5.865 -9.921 1.00 0.00 H new ATOM 75 N GLU C 95 6.023 -1.053 -9.775 1.00 0.00 N ATOM 76 CA GLU C 95 5.858 0.375 -10.231 1.00 0.00 C ATOM 77 C GLU C 95 7.212 1.101 -10.027 1.00 0.00 C ATOM 78 O GLU C 95 7.615 1.899 -10.852 1.00 0.00 O ATOM 79 CB GLU C 95 4.828 0.978 -9.264 1.00 0.00 C ATOM 80 CG GLU C 95 3.479 0.196 -9.320 1.00 0.00 C ATOM 81 CD GLU C 95 2.521 0.683 -8.225 1.00 0.00 C ATOM 82 OE1 GLU C 95 2.544 1.846 -7.898 1.00 0.00 O1- ATOM 83 OE2 GLU C 95 1.792 -0.136 -7.709 1.00 0.00 O ATOM 0 H GLU C 95 5.398 -1.342 -9.023 1.00 0.00 H new ATOM 0 HA GLU C 95 5.552 0.459 -11.274 1.00 0.00 H new ATOM 0 HB2 GLU C 95 5.222 0.956 -8.248 1.00 0.00 H new ATOM 0 HB3 GLU C 95 4.656 2.024 -9.517 1.00 0.00 H new ATOM 0 HG2 GLU C 95 3.017 0.328 -10.298 1.00 0.00 H new ATOM 0 HG3 GLU C 95 3.666 -0.871 -9.197 1.00 0.00 H new ATOM 90 N GLU C 96 7.926 0.804 -8.938 1.00 0.00 N ATOM 91 CA GLU C 96 9.265 1.455 -8.711 1.00 0.00 C ATOM 92 C GLU C 96 10.216 1.026 -9.831 1.00 0.00 C ATOM 93 O GLU C 96 10.916 1.848 -10.400 1.00 0.00 O ATOM 94 CB GLU C 96 9.764 0.921 -7.353 1.00 0.00 C ATOM 95 CG GLU C 96 10.923 1.802 -6.832 1.00 0.00 C ATOM 96 CD GLU C 96 10.409 3.189 -6.438 1.00 0.00 C ATOM 97 OE1 GLU C 96 9.252 3.300 -6.058 1.00 0.00 O ATOM 98 OE2 GLU C 96 11.142 4.124 -6.557 1.00 0.00 O1- ATOM 0 H GLU C 96 7.635 0.148 -8.214 1.00 0.00 H new ATOM 0 HA GLU C 96 9.208 2.543 -8.709 1.00 0.00 H new ATOM 0 HB2 GLU C 96 8.947 0.917 -6.632 1.00 0.00 H new ATOM 0 HB3 GLU C 96 10.100 -0.110 -7.460 1.00 0.00 H new ATOM 0 HG2 GLU C 96 11.392 1.324 -5.972 1.00 0.00 H new ATOM 0 HG3 GLU C 96 11.689 1.897 -7.601 1.00 0.00 H new ATOM 105 N LEU C 97 10.181 -0.243 -10.214 1.00 0.00 N ATOM 106 CA LEU C 97 11.033 -0.704 -11.363 1.00 0.00 C ATOM 107 C LEU C 97 10.751 0.156 -12.586 1.00 0.00 C ATOM 108 O LEU C 97 11.670 0.567 -13.298 1.00 0.00 O ATOM 109 CB LEU C 97 10.597 -2.161 -11.642 1.00 0.00 C ATOM 110 CG LEU C 97 11.243 -2.660 -12.940 1.00 0.00 C ATOM 111 CD1 LEU C 97 12.740 -2.718 -12.788 1.00 0.00 C ATOM 112 CD2 LEU C 97 10.696 -4.033 -13.291 1.00 0.00 C ATOM 0 H LEU C 97 9.605 -0.966 -9.783 1.00 0.00 H new ATOM 0 HA LEU C 97 12.097 -0.632 -11.137 1.00 0.00 H new ATOM 0 HB2 LEU C 97 10.889 -2.803 -10.810 1.00 0.00 H new ATOM 0 HB3 LEU C 97 9.511 -2.216 -11.721 1.00 0.00 H new ATOM 0 HG LEU C 97 11.004 -1.966 -13.746 1.00 0.00 H new ATOM 0 HD11 LEU C 97 13.186 -3.074 -13.717 1.00 0.00 H new ATOM 0 HD12 LEU C 97 13.121 -1.723 -12.560 1.00 0.00 H new ATOM 0 HD13 LEU C 97 12.997 -3.400 -11.977 1.00 0.00 H new ATOM 0 HD21 LEU C 97 11.158 -4.384 -14.214 1.00 0.00 H new ATOM 0 HD22 LEU C 97 10.921 -4.731 -12.485 1.00 0.00 H new ATOM 0 HD23 LEU C 97 9.616 -3.971 -13.426 1.00 0.00 H new ATOM 124 N SER C 98 9.506 0.420 -12.855 1.00 0.00 N ATOM 125 CA SER C 98 9.173 1.242 -14.039 1.00 0.00 C ATOM 126 C SER C 98 9.812 2.640 -13.899 1.00 0.00 C ATOM 127 O SER C 98 10.409 3.136 -14.845 1.00 0.00 O ATOM 128 CB SER C 98 7.652 1.334 -14.053 1.00 0.00 C ATOM 129 OG SER C 98 7.078 0.019 -13.902 1.00 0.00 O ATOM 0 H SER C 98 8.708 0.101 -12.305 1.00 0.00 H new ATOM 0 HA SER C 98 9.550 0.811 -14.966 1.00 0.00 H new ATOM 0 HB2 SER C 98 7.311 1.984 -13.247 1.00 0.00 H new ATOM 0 HB3 SER C 98 7.315 1.782 -14.988 1.00 0.00 H new ATOM 0 HG SER C 98 7.726 -0.656 -14.193 1.00 0.00 H new ATOM 135 N ASP C 99 9.784 3.237 -12.704 1.00 0.00 N ATOM 136 CA ASP C 99 10.481 4.570 -12.511 1.00 0.00 C ATOM 137 C ASP C 99 11.964 4.420 -12.796 1.00 0.00 C ATOM 138 O ASP C 99 12.549 5.223 -13.524 1.00 0.00 O ATOM 139 CB ASP C 99 10.264 4.988 -11.033 1.00 0.00 C ATOM 140 CG ASP C 99 8.830 5.428 -10.792 1.00 0.00 C ATOM 141 OD1 ASP C 99 8.197 5.901 -11.713 1.00 0.00 O ATOM 142 OD2 ASP C 99 8.371 5.277 -9.694 1.00 0.00 O1- ATOM 0 H ASP C 99 9.319 2.865 -11.876 1.00 0.00 H new ATOM 0 HA ASP C 99 10.079 5.323 -13.189 1.00 0.00 H new ATOM 0 HB2 ASP C 99 10.506 4.152 -10.377 1.00 0.00 H new ATOM 0 HB3 ASP C 99 10.944 5.801 -10.778 1.00 0.00 H new ATOM 147 N LEU C 100 12.572 3.355 -12.308 1.00 0.00 N ATOM 148 CA LEU C 100 14.029 3.101 -12.609 1.00 0.00 C ATOM 149 C LEU C 100 14.208 2.988 -14.124 1.00 0.00 C ATOM 150 O LEU C 100 15.139 3.511 -14.673 1.00 0.00 O ATOM 151 CB LEU C 100 14.381 1.746 -11.934 1.00 0.00 C ATOM 152 CG LEU C 100 14.158 1.804 -10.404 1.00 0.00 C ATOM 153 CD1 LEU C 100 14.578 0.478 -9.774 1.00 0.00 C ATOM 154 CD2 LEU C 100 15.004 2.924 -9.793 1.00 0.00 C ATOM 0 H LEU C 100 12.126 2.654 -11.717 1.00 0.00 H new ATOM 0 HA LEU C 100 14.670 3.902 -12.241 1.00 0.00 H new ATOM 0 HB2 LEU C 100 13.768 0.954 -12.363 1.00 0.00 H new ATOM 0 HB3 LEU C 100 15.420 1.493 -12.143 1.00 0.00 H new ATOM 0 HG LEU C 100 13.102 1.993 -10.212 1.00 0.00 H new ATOM 0 HD11 LEU C 100 14.420 0.521 -8.696 1.00 0.00 H new ATOM 0 HD12 LEU C 100 13.981 -0.331 -10.196 1.00 0.00 H new ATOM 0 HD13 LEU C 100 15.633 0.296 -9.979 1.00 0.00 H new ATOM 0 HD21 LEU C 100 14.840 2.957 -8.716 1.00 0.00 H new ATOM 0 HD22 LEU C 100 16.058 2.735 -9.994 1.00 0.00 H new ATOM 0 HD23 LEU C 100 14.716 3.879 -10.233 1.00 0.00 H new ATOM 166 N PHE C 101 13.292 2.344 -14.807 1.00 0.00 N ATOM 167 CA PHE C 101 13.384 2.267 -16.306 1.00 0.00 C ATOM 168 C PHE C 101 13.183 3.684 -16.906 1.00 0.00 C ATOM 169 O PHE C 101 13.919 4.121 -17.777 1.00 0.00 O ATOM 170 CB PHE C 101 12.221 1.351 -16.731 1.00 0.00 C ATOM 171 CG PHE C 101 12.308 1.077 -18.210 1.00 0.00 C ATOM 172 CD1 PHE C 101 11.715 1.957 -19.122 1.00 0.00 C ATOM 173 CD2 PHE C 101 12.995 -0.047 -18.668 1.00 0.00 C ATOM 174 CE1 PHE C 101 11.812 1.706 -20.484 1.00 0.00 C ATOM 175 CE2 PHE C 101 13.088 -0.296 -20.032 1.00 0.00 C ATOM 176 CZ PHE C 101 12.496 0.575 -20.938 1.00 0.00 C ATOM 0 H PHE C 101 12.487 1.870 -14.397 1.00 0.00 H new ATOM 0 HA PHE C 101 14.348 1.890 -16.647 1.00 0.00 H new ATOM 0 HB2 PHE C 101 12.260 0.415 -16.175 1.00 0.00 H new ATOM 0 HB3 PHE C 101 11.268 1.823 -16.494 1.00 0.00 H new ATOM 0 HD1 PHE C 101 11.184 2.828 -18.768 1.00 0.00 H new ATOM 0 HD2 PHE C 101 13.455 -0.724 -17.963 1.00 0.00 H new ATOM 0 HE1 PHE C 101 11.359 2.384 -21.192 1.00 0.00 H new ATOM 0 HE2 PHE C 101 13.620 -1.166 -20.387 1.00 0.00 H new ATOM 0 HZ PHE C 101 12.565 0.377 -21.998 1.00 0.00 H new ATOM 186 N ARG C 102 12.157 4.375 -16.451 1.00 0.00 N ATOM 187 CA ARG C 102 11.806 5.735 -17.002 1.00 0.00 C ATOM 188 C ARG C 102 12.968 6.732 -16.889 1.00 0.00 C ATOM 189 O ARG C 102 13.175 7.525 -17.787 1.00 0.00 O ATOM 190 CB ARG C 102 10.603 6.200 -16.153 1.00 0.00 C ATOM 191 CG ARG C 102 9.359 5.340 -16.493 1.00 0.00 C ATOM 192 CD ARG C 102 8.287 5.473 -15.385 1.00 0.00 C ATOM 193 NE ARG C 102 7.862 6.908 -15.378 1.00 0.00 N ATOM 194 CZ ARG C 102 6.763 7.236 -14.747 1.00 0.00 C ATOM 195 NH1 ARG C 102 6.736 7.230 -13.434 1.00 0.00 N ATOM 196 NH2 ARG C 102 5.677 7.511 -15.434 1.00 0.00 N1+ ATOM 0 H ARG C 102 11.537 4.050 -15.709 1.00 0.00 H new ATOM 0 HA ARG C 102 11.579 5.682 -18.067 1.00 0.00 H new ATOM 0 HB2 ARG C 102 10.839 6.112 -15.092 1.00 0.00 H new ATOM 0 HB3 ARG C 102 10.394 7.252 -16.347 1.00 0.00 H new ATOM 0 HG2 ARG C 102 8.942 5.655 -17.450 1.00 0.00 H new ATOM 0 HG3 ARG C 102 9.651 4.295 -16.601 1.00 0.00 H new ATOM 0 HD2 ARG C 102 7.439 4.818 -15.584 1.00 0.00 H new ATOM 0 HD3 ARG C 102 8.692 5.183 -14.416 1.00 0.00 H new ATOM 0 HE ARG C 102 8.418 7.617 -15.856 1.00 0.00 H new ATOM 0 HH11 ARG C 102 7.570 6.970 -12.908 1.00 0.00 H new ATOM 0 HH12 ARG C 102 5.881 7.485 -12.940 1.00 0.00 H new ATOM 0 HH21 ARG C 102 5.694 7.468 -16.453 1.00 0.00 H new ATOM 0 HH22 ARG C 102 4.817 7.767 -14.948 1.00 0.00 H new ATOM 210 N MET C 103 13.719 6.727 -15.806 1.00 0.00 N ATOM 211 CA MET C 103 14.861 7.727 -15.706 1.00 0.00 C ATOM 212 C MET C 103 15.907 7.462 -16.803 1.00 0.00 C ATOM 213 O MET C 103 16.491 8.384 -17.330 1.00 0.00 O ATOM 214 CB MET C 103 15.498 7.613 -14.285 1.00 0.00 C ATOM 215 CG MET C 103 15.706 6.150 -13.855 1.00 0.00 C ATOM 216 SD MET C 103 16.629 6.102 -12.301 1.00 0.00 S ATOM 217 CE MET C 103 18.257 6.519 -12.982 1.00 0.00 C ATOM 0 H MET C 103 13.605 6.101 -15.009 1.00 0.00 H new ATOM 0 HA MET C 103 14.483 8.739 -15.853 1.00 0.00 H new ATOM 0 HB2 MET C 103 16.456 8.132 -14.276 1.00 0.00 H new ATOM 0 HB3 MET C 103 14.857 8.115 -13.560 1.00 0.00 H new ATOM 0 HG2 MET C 103 14.742 5.655 -13.733 1.00 0.00 H new ATOM 0 HG3 MET C 103 16.248 5.606 -14.629 1.00 0.00 H new ATOM 0 HE1 MET C 103 18.973 5.742 -12.714 1.00 0.00 H new ATOM 0 HE2 MET C 103 18.190 6.591 -14.068 1.00 0.00 H new ATOM 0 HE3 MET C 103 18.588 7.474 -12.575 1.00 0.00 H new ATOM 227 N PHE C 104 16.142 6.209 -17.148 1.00 0.00 N ATOM 228 CA PHE C 104 17.149 5.896 -18.229 1.00 0.00 C ATOM 229 C PHE C 104 16.662 6.340 -19.607 1.00 0.00 C ATOM 230 O PHE C 104 17.461 6.788 -20.431 1.00 0.00 O ATOM 231 CB PHE C 104 17.368 4.377 -18.216 1.00 0.00 C ATOM 232 CG PHE C 104 18.365 4.005 -17.142 1.00 0.00 C ATOM 233 CD1 PHE C 104 17.951 3.871 -15.820 1.00 0.00 C ATOM 234 CD2 PHE C 104 19.707 3.793 -17.479 1.00 0.00 C ATOM 235 CE1 PHE C 104 18.871 3.525 -14.827 1.00 0.00 C ATOM 236 CE2 PHE C 104 20.629 3.444 -16.488 1.00 0.00 C ATOM 237 CZ PHE C 104 20.212 3.311 -15.163 1.00 0.00 C ATOM 0 H PHE C 104 15.686 5.397 -16.733 1.00 0.00 H new ATOM 0 HA PHE C 104 18.075 6.436 -18.034 1.00 0.00 H new ATOM 0 HB2 PHE C 104 16.422 3.867 -18.037 1.00 0.00 H new ATOM 0 HB3 PHE C 104 17.730 4.046 -19.189 1.00 0.00 H new ATOM 0 HD1 PHE C 104 16.915 4.035 -15.561 1.00 0.00 H new ATOM 0 HD2 PHE C 104 20.030 3.899 -18.504 1.00 0.00 H new ATOM 0 HE1 PHE C 104 18.547 3.423 -13.802 1.00 0.00 H new ATOM 0 HE2 PHE C 104 21.664 3.277 -16.748 1.00 0.00 H new ATOM 0 HZ PHE C 104 20.925 3.043 -14.397 1.00 0.00 H new ATOM 247 N ASP C 105 15.390 6.159 -19.914 1.00 0.00 N ATOM 248 CA ASP C 105 14.924 6.503 -21.299 1.00 0.00 C ATOM 249 C ASP C 105 14.764 8.010 -21.425 1.00 0.00 C ATOM 250 O ASP C 105 13.791 8.586 -20.946 1.00 0.00 O ATOM 251 CB ASP C 105 13.564 5.785 -21.492 1.00 0.00 C ATOM 252 CG ASP C 105 13.096 5.957 -22.926 1.00 0.00 C ATOM 253 OD1 ASP C 105 13.695 5.378 -23.782 1.00 0.00 O1- ATOM 254 OD2 ASP C 105 12.155 6.663 -23.152 1.00 0.00 O ATOM 0 H ASP C 105 14.675 5.798 -19.282 1.00 0.00 H new ATOM 0 HA ASP C 105 15.638 6.186 -22.059 1.00 0.00 H new ATOM 0 HB2 ASP C 105 13.664 4.726 -21.256 1.00 0.00 H new ATOM 0 HB3 ASP C 105 12.824 6.196 -20.805 1.00 0.00 H new ATOM 259 N LYS C 106 15.699 8.663 -22.067 1.00 0.00 N ATOM 260 CA LYS C 106 15.583 10.146 -22.255 1.00 0.00 C ATOM 261 C LYS C 106 15.026 10.491 -23.650 1.00 0.00 C ATOM 262 O LYS C 106 14.602 11.609 -23.878 1.00 0.00 O ATOM 263 CB LYS C 106 17.005 10.734 -22.055 1.00 0.00 C ATOM 264 CG LYS C 106 17.954 10.295 -23.191 1.00 0.00 C ATOM 265 CD LYS C 106 18.406 11.534 -23.999 1.00 0.00 C ATOM 266 CE LYS C 106 19.752 11.261 -24.710 1.00 0.00 C ATOM 267 NZ LYS C 106 19.545 10.000 -25.481 1.00 0.00 N1+ ATOM 0 H LYS C 106 16.535 8.238 -22.468 1.00 0.00 H new ATOM 0 HA LYS C 106 14.884 10.573 -21.536 1.00 0.00 H new ATOM 0 HB2 LYS C 106 16.950 11.822 -22.023 1.00 0.00 H new ATOM 0 HB3 LYS C 106 17.406 10.406 -21.096 1.00 0.00 H new ATOM 0 HG2 LYS C 106 18.822 9.783 -22.776 1.00 0.00 H new ATOM 0 HG3 LYS C 106 17.449 9.586 -23.846 1.00 0.00 H new ATOM 0 HD2 LYS C 106 17.645 11.791 -24.736 1.00 0.00 H new ATOM 0 HD3 LYS C 106 18.508 12.391 -23.333 1.00 0.00 H new ATOM 0 HE2 LYS C 106 20.022 12.085 -25.370 1.00 0.00 H new ATOM 0 HE3 LYS C 106 20.562 11.152 -23.989 1.00 0.00 H new ATOM 0 HZ1 LYS C 106 20.239 9.948 -26.254 1.00 0.00 H new ATOM 0 HZ2 LYS C 106 19.668 9.183 -24.849 1.00 0.00 H new ATOM 0 HZ3 LYS C 106 18.584 9.990 -25.878 1.00 0.00 H new ATOM 281 N ASN C 107 15.027 9.547 -24.595 1.00 0.00 N ATOM 282 CA ASN C 107 14.484 9.872 -25.973 1.00 0.00 C ATOM 283 C ASN C 107 12.949 9.671 -26.010 1.00 0.00 C ATOM 284 O ASN C 107 12.347 9.815 -27.052 1.00 0.00 O ATOM 285 CB ASN C 107 15.145 8.886 -26.975 1.00 0.00 C ATOM 286 CG ASN C 107 16.677 9.027 -27.048 1.00 0.00 C ATOM 287 OD1 ASN C 107 17.250 10.028 -26.622 1.00 0.00 O ATOM 288 ND2 ASN C 107 17.385 8.063 -27.566 1.00 0.00 N ATOM 0 H ASN C 107 15.371 8.595 -24.472 1.00 0.00 H new ATOM 0 HA ASN C 107 14.704 10.909 -26.227 1.00 0.00 H new ATOM 0 HB2 ASN C 107 14.894 7.865 -26.688 1.00 0.00 H new ATOM 0 HB3 ASN C 107 14.724 9.051 -27.967 1.00 0.00 H new ATOM 0 HD21 ASN C 107 18.401 8.145 -27.614 1.00 0.00 H new ATOM 0 HD22 ASN C 107 16.923 7.227 -27.923 1.00 0.00 H new ATOM 295 N ALA C 108 12.317 9.299 -24.880 1.00 0.00 N ATOM 296 CA ALA C 108 10.805 9.064 -24.810 1.00 0.00 C ATOM 297 C ALA C 108 10.338 7.846 -25.663 1.00 0.00 C ATOM 298 O ALA C 108 9.158 7.553 -25.716 1.00 0.00 O ATOM 299 CB ALA C 108 10.139 10.359 -25.310 1.00 0.00 C ATOM 0 H ALA C 108 12.798 9.148 -23.994 1.00 0.00 H new ATOM 0 HA ALA C 108 10.520 8.826 -23.785 1.00 0.00 H new ATOM 0 HB1 ALA C 108 9.055 10.246 -25.281 1.00 0.00 H new ATOM 0 HB2 ALA C 108 10.434 11.191 -24.670 1.00 0.00 H new ATOM 0 HB3 ALA C 108 10.455 10.559 -26.334 1.00 0.00 H new ATOM 305 N ASP C 109 11.246 7.120 -26.277 1.00 0.00 N ATOM 306 CA ASP C 109 10.866 5.889 -27.084 1.00 0.00 C ATOM 307 C ASP C 109 10.273 4.783 -26.191 1.00 0.00 C ATOM 308 O ASP C 109 9.515 3.942 -26.667 1.00 0.00 O ATOM 309 CB ASP C 109 12.161 5.404 -27.781 1.00 0.00 C ATOM 310 CG ASP C 109 13.247 5.157 -26.773 1.00 0.00 C ATOM 311 OD1 ASP C 109 13.920 6.048 -26.432 1.00 0.00 O1- ATOM 312 OD2 ASP C 109 13.398 4.107 -26.331 1.00 0.00 O ATOM 0 H ASP C 109 12.246 7.322 -26.259 1.00 0.00 H new ATOM 0 HA ASP C 109 10.093 6.133 -27.812 1.00 0.00 H new ATOM 0 HB2 ASP C 109 11.959 4.489 -28.337 1.00 0.00 H new ATOM 0 HB3 ASP C 109 12.492 6.150 -28.504 1.00 0.00 H new ATOM 317 N GLY C 110 10.643 4.730 -24.926 1.00 0.00 N ATOM 318 CA GLY C 110 10.108 3.650 -24.025 1.00 0.00 C ATOM 319 C GLY C 110 11.109 2.482 -23.885 1.00 0.00 C ATOM 320 O GLY C 110 10.829 1.510 -23.205 1.00 0.00 O ATOM 0 H GLY C 110 11.288 5.384 -24.482 1.00 0.00 H new ATOM 0 HA2 GLY C 110 9.895 4.068 -23.041 1.00 0.00 H new ATOM 0 HA3 GLY C 110 9.165 3.276 -24.424 1.00 0.00 H new ATOM 324 N TYR C 111 12.254 2.557 -24.511 1.00 0.00 N ATOM 325 CA TYR C 111 13.294 1.481 -24.398 1.00 0.00 C ATOM 326 C TYR C 111 14.604 2.114 -23.991 1.00 0.00 C ATOM 327 O TYR C 111 14.922 3.234 -24.424 1.00 0.00 O ATOM 328 CB TYR C 111 13.426 0.878 -25.798 1.00 0.00 C ATOM 329 CG TYR C 111 12.130 0.215 -26.171 1.00 0.00 C ATOM 330 CD1 TYR C 111 11.630 -0.811 -25.367 1.00 0.00 C ATOM 331 CD2 TYR C 111 11.427 0.626 -27.308 1.00 0.00 C ATOM 332 CE1 TYR C 111 10.441 -1.433 -25.691 1.00 0.00 C ATOM 333 CE2 TYR C 111 10.224 -0.002 -27.637 1.00 0.00 C ATOM 334 CZ TYR C 111 9.732 -1.036 -26.820 1.00 0.00 C ATOM 335 OH TYR C 111 8.557 -1.677 -27.137 1.00 0.00 O ATOM 0 H TYR C 111 12.522 3.337 -25.112 1.00 0.00 H new ATOM 0 HA TYR C 111 13.028 0.723 -23.661 1.00 0.00 H new ATOM 0 HB2 TYR C 111 13.672 1.656 -26.521 1.00 0.00 H new ATOM 0 HB3 TYR C 111 14.240 0.153 -25.820 1.00 0.00 H new ATOM 0 HD1 TYR C 111 12.176 -1.119 -24.488 1.00 0.00 H new ATOM 0 HD2 TYR C 111 11.812 1.423 -27.927 1.00 0.00 H new ATOM 0 HE1 TYR C 111 10.061 -2.229 -25.067 1.00 0.00 H new ATOM 0 HE2 TYR C 111 9.674 0.305 -28.514 1.00 0.00 H new ATOM 0 HH TYR C 111 8.180 -1.285 -27.952 1.00 0.00 H new ATOM 345 N ILE C 112 15.421 1.420 -23.260 1.00 0.00 N ATOM 346 CA ILE C 112 16.725 2.027 -22.908 1.00 0.00 C ATOM 347 C ILE C 112 17.632 1.779 -24.112 1.00 0.00 C ATOM 348 O ILE C 112 17.826 0.641 -24.556 1.00 0.00 O ATOM 349 CB ILE C 112 17.226 1.286 -21.632 1.00 0.00 C ATOM 350 CG1 ILE C 112 16.122 1.271 -20.537 1.00 0.00 C ATOM 351 CG2 ILE C 112 18.450 2.014 -21.068 1.00 0.00 C ATOM 352 CD1 ILE C 112 15.527 2.678 -20.352 1.00 0.00 C ATOM 0 H ILE C 112 15.249 0.482 -22.899 1.00 0.00 H new ATOM 0 HA ILE C 112 16.690 3.096 -22.697 1.00 0.00 H new ATOM 0 HB ILE C 112 17.479 0.262 -21.908 1.00 0.00 H new ATOM 0 HG12 ILE C 112 15.335 0.571 -20.816 1.00 0.00 H new ATOM 0 HG13 ILE C 112 16.542 0.920 -19.594 1.00 0.00 H new ATOM 0 HG21 ILE C 112 18.802 1.497 -20.175 1.00 0.00 H new ATOM 0 HG22 ILE C 112 19.243 2.026 -21.816 1.00 0.00 H new ATOM 0 HG23 ILE C 112 18.178 3.038 -20.811 1.00 0.00 H new ATOM 0 HD11 ILE C 112 14.756 2.649 -19.582 1.00 0.00 H new ATOM 0 HD12 ILE C 112 16.314 3.369 -20.051 1.00 0.00 H new ATOM 0 HD13 ILE C 112 15.089 3.014 -21.292 1.00 0.00 H new ATOM 364 N ASP C 113 18.055 2.845 -24.724 1.00 0.00 N ATOM 365 CA ASP C 113 18.839 2.772 -26.001 1.00 0.00 C ATOM 366 C ASP C 113 20.311 2.848 -25.698 1.00 0.00 C ATOM 367 O ASP C 113 20.722 3.425 -24.690 1.00 0.00 O ATOM 368 CB ASP C 113 18.442 4.033 -26.795 1.00 0.00 C ATOM 369 CG ASP C 113 16.981 3.977 -27.166 1.00 0.00 C ATOM 370 OD1 ASP C 113 16.669 3.388 -28.150 1.00 0.00 O ATOM 371 OD2 ASP C 113 16.188 4.527 -26.442 1.00 0.00 O1- ATOM 0 H ASP C 113 17.889 3.794 -24.389 1.00 0.00 H new ATOM 0 HA ASP C 113 18.639 1.848 -26.543 1.00 0.00 H new ATOM 0 HB2 ASP C 113 18.639 4.924 -26.199 1.00 0.00 H new ATOM 0 HB3 ASP C 113 19.051 4.111 -27.696 1.00 0.00 H new ATOM 376 N LEU C 114 21.132 2.373 -26.613 1.00 0.00 N ATOM 377 CA LEU C 114 22.621 2.508 -26.443 1.00 0.00 C ATOM 378 C LEU C 114 22.947 3.982 -26.176 1.00 0.00 C ATOM 379 O LEU C 114 23.715 4.298 -25.275 1.00 0.00 O ATOM 380 CB LEU C 114 23.228 2.085 -27.809 1.00 0.00 C ATOM 381 CG LEU C 114 24.768 2.227 -27.787 1.00 0.00 C ATOM 382 CD1 LEU C 114 25.386 1.132 -26.941 1.00 0.00 C ATOM 383 CD2 LEU C 114 25.317 2.115 -29.213 1.00 0.00 C ATOM 0 H LEU C 114 20.836 1.900 -27.467 1.00 0.00 H new ATOM 0 HA LEU C 114 23.009 1.906 -25.621 1.00 0.00 H new ATOM 0 HB2 LEU C 114 22.956 1.053 -28.030 1.00 0.00 H new ATOM 0 HB3 LEU C 114 22.812 2.702 -28.605 1.00 0.00 H new ATOM 0 HG LEU C 114 25.020 3.199 -27.363 1.00 0.00 H new ATOM 0 HD11 LEU C 114 26.470 1.245 -26.935 1.00 0.00 H new ATOM 0 HD12 LEU C 114 25.008 1.203 -25.921 1.00 0.00 H new ATOM 0 HD13 LEU C 114 25.125 0.159 -27.358 1.00 0.00 H new ATOM 0 HD21 LEU C 114 26.402 2.215 -29.194 1.00 0.00 H new ATOM 0 HD22 LEU C 114 25.050 1.144 -29.631 1.00 0.00 H new ATOM 0 HD23 LEU C 114 24.890 2.905 -29.830 1.00 0.00 H new ATOM 395 N ASP C 115 22.332 4.895 -26.929 1.00 0.00 N ATOM 396 CA ASP C 115 22.596 6.345 -26.690 1.00 0.00 C ATOM 397 C ASP C 115 22.146 6.744 -25.292 1.00 0.00 C ATOM 398 O ASP C 115 22.877 7.357 -24.556 1.00 0.00 O ATOM 399 CB ASP C 115 21.779 7.126 -27.724 1.00 0.00 C ATOM 400 CG ASP C 115 22.185 8.586 -27.631 1.00 0.00 C ATOM 401 OD1 ASP C 115 23.243 8.913 -28.127 1.00 0.00 O1- ATOM 402 OD2 ASP C 115 21.453 9.348 -27.027 1.00 0.00 O ATOM 0 H ASP C 115 21.674 4.688 -27.680 1.00 0.00 H new ATOM 0 HA ASP C 115 23.662 6.556 -26.779 1.00 0.00 H new ATOM 0 HB2 ASP C 115 21.965 6.741 -28.727 1.00 0.00 H new ATOM 0 HB3 ASP C 115 20.712 7.013 -27.532 1.00 0.00 H new ATOM 407 N GLU C 116 20.981 6.331 -24.883 1.00 0.00 N ATOM 408 CA GLU C 116 20.528 6.673 -23.499 1.00 0.00 C ATOM 409 C GLU C 116 21.488 6.050 -22.474 1.00 0.00 C ATOM 410 O GLU C 116 21.778 6.659 -21.444 1.00 0.00 O ATOM 411 CB GLU C 116 19.126 6.081 -23.370 1.00 0.00 C ATOM 412 CG GLU C 116 18.162 6.817 -24.337 1.00 0.00 C ATOM 413 CD GLU C 116 16.761 6.239 -24.265 1.00 0.00 C ATOM 414 OE1 GLU C 116 16.579 5.163 -23.813 1.00 0.00 O ATOM 415 OE2 GLU C 116 15.879 6.860 -24.708 1.00 0.00 O1- ATOM 0 H GLU C 116 20.326 5.778 -25.436 1.00 0.00 H new ATOM 0 HA GLU C 116 20.518 7.748 -23.316 1.00 0.00 H new ATOM 0 HB2 GLU C 116 19.147 5.016 -23.601 1.00 0.00 H new ATOM 0 HB3 GLU C 116 18.772 6.177 -22.344 1.00 0.00 H new ATOM 0 HG2 GLU C 116 18.133 7.878 -24.088 1.00 0.00 H new ATOM 0 HG3 GLU C 116 18.538 6.739 -25.357 1.00 0.00 H new ATOM 422 N LEU C 117 22.007 4.865 -22.747 1.00 0.00 N ATOM 423 CA LEU C 117 22.977 4.255 -21.787 1.00 0.00 C ATOM 424 C LEU C 117 24.287 5.070 -21.824 1.00 0.00 C ATOM 425 O LEU C 117 24.812 5.437 -20.779 1.00 0.00 O ATOM 426 CB LEU C 117 23.210 2.817 -22.289 1.00 0.00 C ATOM 427 CG LEU C 117 23.688 1.920 -21.127 1.00 0.00 C ATOM 428 CD1 LEU C 117 23.411 0.458 -21.460 1.00 0.00 C ATOM 429 CD2 LEU C 117 25.188 2.093 -20.883 1.00 0.00 C ATOM 0 H LEU C 117 21.801 4.310 -23.578 1.00 0.00 H new ATOM 0 HA LEU C 117 22.613 4.252 -20.759 1.00 0.00 H new ATOM 0 HB2 LEU C 117 22.288 2.417 -22.712 1.00 0.00 H new ATOM 0 HB3 LEU C 117 23.952 2.818 -23.087 1.00 0.00 H new ATOM 0 HG LEU C 117 23.146 2.213 -20.228 1.00 0.00 H new ATOM 0 HD11 LEU C 117 23.749 -0.173 -20.638 1.00 0.00 H new ATOM 0 HD12 LEU C 117 22.341 0.315 -21.610 1.00 0.00 H new ATOM 0 HD13 LEU C 117 23.944 0.185 -22.370 1.00 0.00 H new ATOM 0 HD21 LEU C 117 25.499 1.450 -20.060 1.00 0.00 H new ATOM 0 HD22 LEU C 117 25.737 1.820 -21.784 1.00 0.00 H new ATOM 0 HD23 LEU C 117 25.398 3.132 -20.631 1.00 0.00 H new ATOM 441 N LYS C 118 24.806 5.422 -23.017 1.00 0.00 N ATOM 442 CA LYS C 118 26.068 6.260 -23.029 1.00 0.00 C ATOM 443 C LYS C 118 25.805 7.610 -22.373 1.00 0.00 C ATOM 444 O LYS C 118 26.617 8.082 -21.608 1.00 0.00 O ATOM 445 CB LYS C 118 26.624 6.419 -24.493 1.00 0.00 C ATOM 446 CG LYS C 118 25.551 6.823 -25.522 1.00 0.00 C ATOM 447 CD LYS C 118 25.368 8.360 -25.558 1.00 0.00 C ATOM 448 CE LYS C 118 26.334 9.007 -26.567 1.00 0.00 C ATOM 449 NZ LYS C 118 25.832 8.616 -27.911 1.00 0.00 N1+ ATOM 0 H LYS C 118 24.424 5.174 -23.930 1.00 0.00 H new ATOM 0 HA LYS C 118 26.837 5.749 -22.450 1.00 0.00 H new ATOM 0 HB2 LYS C 118 27.415 7.169 -24.492 1.00 0.00 H new ATOM 0 HB3 LYS C 118 27.077 5.478 -24.804 1.00 0.00 H new ATOM 0 HG2 LYS C 118 25.837 6.464 -26.511 1.00 0.00 H new ATOM 0 HG3 LYS C 118 24.604 6.346 -25.271 1.00 0.00 H new ATOM 0 HD2 LYS C 118 24.340 8.601 -25.828 1.00 0.00 H new ATOM 0 HD3 LYS C 118 25.543 8.774 -24.565 1.00 0.00 H new ATOM 0 HE2 LYS C 118 26.349 10.091 -26.455 1.00 0.00 H new ATOM 0 HE3 LYS C 118 27.354 8.656 -26.413 1.00 0.00 H new ATOM 0 HZ1 LYS C 118 26.082 9.351 -28.603 1.00 0.00 H new ATOM 0 HZ2 LYS C 118 26.264 7.713 -28.194 1.00 0.00 H new ATOM 0 HZ3 LYS C 118 24.798 8.509 -27.878 1.00 0.00 H new ATOM 463 N ILE C 119 24.639 8.200 -22.591 1.00 0.00 N ATOM 464 CA ILE C 119 24.313 9.503 -21.900 1.00 0.00 C ATOM 465 C ILE C 119 24.423 9.290 -20.378 1.00 0.00 C ATOM 466 O ILE C 119 25.037 10.084 -19.675 1.00 0.00 O ATOM 467 CB ILE C 119 22.847 9.841 -22.309 1.00 0.00 C ATOM 468 CG1 ILE C 119 22.746 10.019 -23.852 1.00 0.00 C ATOM 469 CG2 ILE C 119 22.369 11.129 -21.609 1.00 0.00 C ATOM 470 CD1 ILE C 119 23.152 11.427 -24.290 1.00 0.00 C ATOM 0 H ILE C 119 23.911 7.841 -23.208 1.00 0.00 H new ATOM 0 HA ILE C 119 24.988 10.313 -22.177 1.00 0.00 H new ATOM 0 HB ILE C 119 22.209 9.014 -21.999 1.00 0.00 H new ATOM 0 HG12 ILE C 119 23.385 9.287 -24.345 1.00 0.00 H new ATOM 0 HG13 ILE C 119 21.724 9.819 -24.175 1.00 0.00 H new ATOM 0 HG21 ILE C 119 21.344 11.347 -21.908 1.00 0.00 H new ATOM 0 HG22 ILE C 119 22.410 10.993 -20.528 1.00 0.00 H new ATOM 0 HG23 ILE C 119 23.015 11.959 -21.895 1.00 0.00 H new ATOM 0 HD11 ILE C 119 23.067 11.510 -25.374 1.00 0.00 H new ATOM 0 HD12 ILE C 119 22.496 12.158 -23.818 1.00 0.00 H new ATOM 0 HD13 ILE C 119 24.183 11.618 -23.991 1.00 0.00 H new ATOM 482 N MET C 120 23.890 8.187 -19.867 1.00 0.00 N ATOM 483 CA MET C 120 24.037 7.910 -18.398 1.00 0.00 C ATOM 484 C MET C 120 25.529 7.767 -18.055 1.00 0.00 C ATOM 485 O MET C 120 26.000 8.333 -17.074 1.00 0.00 O ATOM 486 CB MET C 120 23.298 6.583 -18.133 1.00 0.00 C ATOM 487 CG MET C 120 22.060 6.840 -17.256 1.00 0.00 C ATOM 488 SD MET C 120 22.319 6.111 -15.612 1.00 0.00 S ATOM 489 CE MET C 120 23.669 7.190 -15.064 1.00 0.00 C ATOM 0 H MET C 120 23.372 7.486 -20.396 1.00 0.00 H new ATOM 0 HA MET C 120 23.626 8.715 -17.788 1.00 0.00 H new ATOM 0 HB2 MET C 120 22.998 6.129 -19.077 1.00 0.00 H new ATOM 0 HB3 MET C 120 23.965 5.877 -17.638 1.00 0.00 H new ATOM 0 HG2 MET C 120 21.881 7.911 -17.166 1.00 0.00 H new ATOM 0 HG3 MET C 120 21.175 6.407 -17.722 1.00 0.00 H new ATOM 0 HE1 MET C 120 23.742 7.157 -13.977 1.00 0.00 H new ATOM 0 HE2 MET C 120 24.607 6.849 -15.502 1.00 0.00 H new ATOM 0 HE3 MET C 120 23.470 8.213 -15.384 1.00 0.00 H new ATOM 499 N LEU C 121 26.290 7.055 -18.867 1.00 0.00 N ATOM 500 CA LEU C 121 27.765 6.936 -18.586 1.00 0.00 C ATOM 501 C LEU C 121 28.451 8.291 -18.738 1.00 0.00 C ATOM 502 O LEU C 121 29.258 8.656 -17.915 1.00 0.00 O ATOM 503 CB LEU C 121 28.337 5.905 -19.584 1.00 0.00 C ATOM 504 CG LEU C 121 28.262 4.475 -18.983 1.00 0.00 C ATOM 505 CD1 LEU C 121 29.228 4.348 -17.806 1.00 0.00 C ATOM 506 CD2 LEU C 121 26.838 4.145 -18.509 1.00 0.00 C ATOM 0 H LEU C 121 25.960 6.561 -19.696 1.00 0.00 H new ATOM 0 HA LEU C 121 27.940 6.607 -17.562 1.00 0.00 H new ATOM 0 HB2 LEU C 121 27.777 5.944 -20.519 1.00 0.00 H new ATOM 0 HB3 LEU C 121 29.371 6.153 -19.821 1.00 0.00 H new ATOM 0 HG LEU C 121 28.541 3.770 -19.766 1.00 0.00 H new ATOM 0 HD11 LEU C 121 29.167 3.341 -17.392 1.00 0.00 H new ATOM 0 HD12 LEU C 121 30.245 4.539 -18.148 1.00 0.00 H new ATOM 0 HD13 LEU C 121 28.962 5.073 -17.037 1.00 0.00 H new ATOM 0 HD21 LEU C 121 26.817 3.138 -18.093 1.00 0.00 H new ATOM 0 HD22 LEU C 121 26.534 4.860 -17.744 1.00 0.00 H new ATOM 0 HD23 LEU C 121 26.151 4.203 -19.353 1.00 0.00 H new ATOM 518 N GLN C 122 28.089 9.074 -19.737 1.00 0.00 N ATOM 519 CA GLN C 122 28.696 10.447 -19.876 1.00 0.00 C ATOM 520 C GLN C 122 28.366 11.306 -18.651 1.00 0.00 C ATOM 521 O GLN C 122 29.204 12.065 -18.193 1.00 0.00 O ATOM 522 CB GLN C 122 28.091 11.075 -21.146 1.00 0.00 C ATOM 523 CG GLN C 122 28.571 10.329 -22.408 1.00 0.00 C ATOM 524 CD GLN C 122 27.995 11.018 -23.649 1.00 0.00 C ATOM 525 OE1 GLN C 122 26.924 10.681 -24.104 1.00 0.00 O ATOM 526 NE2 GLN C 122 28.658 11.983 -24.215 1.00 0.00 N ATOM 0 H GLN C 122 27.408 8.826 -20.454 1.00 0.00 H new ATOM 0 HA GLN C 122 29.782 10.385 -19.948 1.00 0.00 H new ATOM 0 HB2 GLN C 122 27.003 11.042 -21.090 1.00 0.00 H new ATOM 0 HB3 GLN C 122 28.375 12.125 -21.209 1.00 0.00 H new ATOM 0 HG2 GLN C 122 29.660 10.326 -22.451 1.00 0.00 H new ATOM 0 HG3 GLN C 122 28.251 9.288 -22.374 1.00 0.00 H new ATOM 0 HE21 GLN C 122 29.560 12.272 -23.837 1.00 0.00 H new ATOM 0 HE22 GLN C 122 28.276 12.451 -25.037 1.00 0.00 H new ATOM 535 N ALA C 123 27.172 11.169 -18.089 1.00 0.00 N ATOM 536 CA ALA C 123 26.829 11.960 -16.847 1.00 0.00 C ATOM 537 C ALA C 123 27.680 11.426 -15.703 1.00 0.00 C ATOM 538 O ALA C 123 28.256 12.171 -14.938 1.00 0.00 O ATOM 539 CB ALA C 123 25.345 11.676 -16.568 1.00 0.00 C ATOM 0 H ALA C 123 26.434 10.554 -18.431 1.00 0.00 H new ATOM 0 HA ALA C 123 27.011 13.029 -16.960 1.00 0.00 H new ATOM 0 HB1 ALA C 123 25.031 12.221 -15.678 1.00 0.00 H new ATOM 0 HB2 ALA C 123 24.746 11.998 -17.420 1.00 0.00 H new ATOM 0 HB3 ALA C 123 25.203 10.607 -16.408 1.00 0.00 H new ATOM 545 N THR C 124 27.781 10.126 -15.621 1.00 0.00 N ATOM 546 CA THR C 124 28.628 9.472 -14.587 1.00 0.00 C ATOM 547 C THR C 124 30.122 9.865 -14.836 1.00 0.00 C ATOM 548 O THR C 124 30.868 10.160 -13.910 1.00 0.00 O ATOM 549 CB THR C 124 28.381 7.959 -14.822 1.00 0.00 C ATOM 550 OG1 THR C 124 26.967 7.688 -14.826 1.00 0.00 O ATOM 551 CG2 THR C 124 29.003 7.164 -13.709 1.00 0.00 C ATOM 0 H THR C 124 27.299 9.477 -16.243 1.00 0.00 H new ATOM 0 HA THR C 124 28.397 9.762 -13.562 1.00 0.00 H new ATOM 0 HB THR C 124 28.821 7.681 -15.780 1.00 0.00 H new ATOM 0 HG1 THR C 124 26.660 7.565 -15.749 1.00 0.00 H new ATOM 0 HG21 THR C 124 28.827 6.102 -13.878 1.00 0.00 H new ATOM 0 HG22 THR C 124 30.076 7.354 -13.682 1.00 0.00 H new ATOM 0 HG23 THR C 124 28.558 7.459 -12.759 1.00 0.00 H new ATOM 559 N GLY C 125 30.541 9.885 -16.085 1.00 0.00 N ATOM 560 CA GLY C 125 31.930 10.293 -16.431 1.00 0.00 C ATOM 561 C GLY C 125 32.900 9.099 -16.406 1.00 0.00 C ATOM 562 O GLY C 125 34.085 9.285 -16.632 1.00 0.00 O ATOM 0 H GLY C 125 29.963 9.630 -16.886 1.00 0.00 H new ATOM 0 HA2 GLY C 125 31.939 10.748 -17.422 1.00 0.00 H new ATOM 0 HA3 GLY C 125 32.271 11.053 -15.728 1.00 0.00 H new ATOM 566 N GLU C 126 32.439 7.877 -16.127 1.00 0.00 N ATOM 567 CA GLU C 126 33.414 6.717 -16.062 1.00 0.00 C ATOM 568 C GLU C 126 33.982 6.423 -17.464 1.00 0.00 C ATOM 569 O GLU C 126 35.188 6.364 -17.652 1.00 0.00 O ATOM 570 CB GLU C 126 32.601 5.499 -15.569 1.00 0.00 C ATOM 571 CG GLU C 126 31.957 5.781 -14.187 1.00 0.00 C ATOM 572 CD GLU C 126 32.998 6.140 -13.133 1.00 0.00 C ATOM 573 OE1 GLU C 126 34.075 5.602 -13.158 1.00 0.00 O1- ATOM 574 OE2 GLU C 126 32.686 6.929 -12.292 1.00 0.00 O ATOM 0 H GLU C 126 31.463 7.643 -15.948 1.00 0.00 H new ATOM 0 HA GLU C 126 34.250 6.941 -15.400 1.00 0.00 H new ATOM 0 HB2 GLU C 126 31.823 5.259 -16.294 1.00 0.00 H new ATOM 0 HB3 GLU C 126 33.252 4.627 -15.500 1.00 0.00 H new ATOM 0 HG2 GLU C 126 31.240 6.597 -14.281 1.00 0.00 H new ATOM 0 HG3 GLU C 126 31.399 4.903 -13.861 1.00 0.00 H new ATOM 581 N THR C 127 33.134 6.269 -18.457 1.00 0.00 N ATOM 582 CA THR C 127 33.641 6.011 -19.838 1.00 0.00 C ATOM 583 C THR C 127 32.913 6.921 -20.855 1.00 0.00 C ATOM 584 O THR C 127 31.736 7.241 -20.689 1.00 0.00 O ATOM 585 CB THR C 127 33.327 4.512 -20.089 1.00 0.00 C ATOM 586 OG1 THR C 127 31.936 4.260 -19.875 1.00 0.00 O ATOM 587 CG2 THR C 127 34.154 3.636 -19.133 1.00 0.00 C ATOM 0 H THR C 127 32.119 6.311 -18.368 1.00 0.00 H new ATOM 0 HA THR C 127 34.704 6.226 -19.949 1.00 0.00 H new ATOM 0 HB THR C 127 33.584 4.269 -21.120 1.00 0.00 H new ATOM 0 HG1 THR C 127 31.607 3.639 -20.558 1.00 0.00 H new ATOM 0 HG21 THR C 127 33.928 2.585 -19.315 1.00 0.00 H new ATOM 0 HG22 THR C 127 35.216 3.814 -19.303 1.00 0.00 H new ATOM 0 HG23 THR C 127 33.905 3.887 -18.102 1.00 0.00 H new ATOM 595 N ILE C 128 33.574 7.286 -21.929 1.00 0.00 N ATOM 596 CA ILE C 128 32.909 8.116 -22.999 1.00 0.00 C ATOM 597 C ILE C 128 33.236 7.478 -24.391 1.00 0.00 C ATOM 598 O ILE C 128 33.390 8.176 -25.380 1.00 0.00 O ATOM 599 CB ILE C 128 33.553 9.546 -22.883 1.00 0.00 C ATOM 600 CG1 ILE C 128 33.577 10.059 -21.412 1.00 0.00 C ATOM 601 CG2 ILE C 128 32.741 10.544 -23.715 1.00 0.00 C ATOM 602 CD1 ILE C 128 32.152 10.165 -20.843 1.00 0.00 C ATOM 0 H ILE C 128 34.548 7.047 -22.116 1.00 0.00 H new ATOM 0 HA ILE C 128 31.826 8.165 -22.891 1.00 0.00 H new ATOM 0 HB ILE C 128 34.578 9.467 -23.246 1.00 0.00 H new ATOM 0 HG12 ILE C 128 34.169 9.382 -20.796 1.00 0.00 H new ATOM 0 HG13 ILE C 128 34.063 11.034 -21.371 1.00 0.00 H new ATOM 0 HG21 ILE C 128 33.189 11.535 -23.634 1.00 0.00 H new ATOM 0 HG22 ILE C 128 32.740 10.231 -24.759 1.00 0.00 H new ATOM 0 HG23 ILE C 128 31.716 10.577 -23.345 1.00 0.00 H new ATOM 0 HD11 ILE C 128 32.196 10.525 -19.815 1.00 0.00 H new ATOM 0 HD12 ILE C 128 31.570 10.861 -21.447 1.00 0.00 H new ATOM 0 HD13 ILE C 128 31.678 9.184 -20.863 1.00 0.00 H new ATOM 614 N THR C 129 33.419 6.173 -24.453 1.00 0.00 N ATOM 615 CA THR C 129 33.816 5.518 -25.747 1.00 0.00 C ATOM 616 C THR C 129 32.584 4.964 -26.530 1.00 0.00 C ATOM 617 O THR C 129 32.671 4.703 -27.735 1.00 0.00 O ATOM 618 CB THR C 129 34.756 4.378 -25.305 1.00 0.00 C ATOM 619 OG1 THR C 129 34.302 3.825 -24.053 1.00 0.00 O ATOM 620 CG2 THR C 129 36.167 4.923 -25.104 1.00 0.00 C ATOM 0 H THR C 129 33.310 5.536 -23.664 1.00 0.00 H new ATOM 0 HA THR C 129 34.288 6.219 -26.435 1.00 0.00 H new ATOM 0 HB THR C 129 34.756 3.608 -26.076 1.00 0.00 H new ATOM 0 HG1 THR C 129 33.334 3.677 -24.093 1.00 0.00 H new ATOM 0 HG21 THR C 129 36.828 4.115 -24.792 1.00 0.00 H new ATOM 0 HG22 THR C 129 36.530 5.348 -26.040 1.00 0.00 H new ATOM 0 HG23 THR C 129 36.152 5.697 -24.336 1.00 0.00 H new ATOM 628 N GLU C 130 31.477 4.735 -25.851 1.00 0.00 N ATOM 629 CA GLU C 130 30.212 4.156 -26.458 1.00 0.00 C ATOM 630 C GLU C 130 30.336 2.669 -26.890 1.00 0.00 C ATOM 631 O GLU C 130 29.415 1.909 -26.664 1.00 0.00 O ATOM 632 CB GLU C 130 29.772 5.064 -27.616 1.00 0.00 C ATOM 633 CG GLU C 130 29.543 6.496 -27.085 1.00 0.00 C ATOM 634 CD GLU C 130 28.609 7.257 -28.009 1.00 0.00 C ATOM 635 OE1 GLU C 130 27.584 6.709 -28.384 1.00 0.00 O1- ATOM 636 OE2 GLU C 130 28.882 8.400 -28.277 1.00 0.00 O ATOM 0 H GLU C 130 31.391 4.934 -24.854 1.00 0.00 H new ATOM 0 HA GLU C 130 29.445 4.137 -25.684 1.00 0.00 H new ATOM 0 HB2 GLU C 130 30.533 5.071 -28.397 1.00 0.00 H new ATOM 0 HB3 GLU C 130 28.856 4.680 -28.066 1.00 0.00 H new ATOM 0 HG2 GLU C 130 29.120 6.456 -26.081 1.00 0.00 H new ATOM 0 HG3 GLU C 130 30.496 7.020 -27.008 1.00 0.00 H new ATOM 643 N ASP C 131 31.458 2.212 -27.424 1.00 0.00 N ATOM 644 CA ASP C 131 31.561 0.720 -27.738 1.00 0.00 C ATOM 645 C ASP C 131 31.476 -0.064 -26.412 1.00 0.00 C ATOM 646 O ASP C 131 30.824 -1.093 -26.333 1.00 0.00 O ATOM 647 CB ASP C 131 32.915 0.470 -28.448 1.00 0.00 C ATOM 648 CG ASP C 131 34.077 0.660 -27.497 1.00 0.00 C ATOM 649 OD1 ASP C 131 34.299 1.774 -27.090 1.00 0.00 O ATOM 650 OD2 ASP C 131 34.737 -0.304 -27.210 1.00 0.00 O1- ATOM 0 H ASP C 131 32.279 2.773 -27.651 1.00 0.00 H new ATOM 0 HA ASP C 131 30.753 0.390 -28.391 1.00 0.00 H new ATOM 0 HB2 ASP C 131 32.935 -0.542 -28.852 1.00 0.00 H new ATOM 0 HB3 ASP C 131 33.017 1.152 -29.292 1.00 0.00 H new ATOM 655 N ASP C 132 32.033 0.489 -25.343 1.00 0.00 N ATOM 656 CA ASP C 132 31.869 -0.142 -23.987 1.00 0.00 C ATOM 657 C ASP C 132 30.353 -0.167 -23.655 1.00 0.00 C ATOM 658 O ASP C 132 29.828 -1.165 -23.191 1.00 0.00 O ATOM 659 CB ASP C 132 32.649 0.790 -22.989 1.00 0.00 C ATOM 660 CG ASP C 132 31.945 2.126 -22.789 1.00 0.00 C ATOM 661 OD1 ASP C 132 31.829 2.863 -23.755 1.00 0.00 O1- ATOM 662 OD2 ASP C 132 31.577 2.412 -21.683 1.00 0.00 O ATOM 0 H ASP C 132 32.589 1.344 -25.356 1.00 0.00 H new ATOM 0 HA ASP C 132 32.250 -1.162 -23.933 1.00 0.00 H new ATOM 0 HB2 ASP C 132 32.752 0.287 -22.028 1.00 0.00 H new ATOM 0 HB3 ASP C 132 33.656 0.964 -23.367 1.00 0.00 H new ATOM 667 N ILE C 133 29.639 0.884 -24.011 1.00 0.00 N ATOM 668 CA ILE C 133 28.146 0.915 -23.831 1.00 0.00 C ATOM 669 C ILE C 133 27.526 -0.165 -24.745 1.00 0.00 C ATOM 670 O ILE C 133 26.598 -0.855 -24.361 1.00 0.00 O ATOM 671 CB ILE C 133 27.688 2.346 -24.276 1.00 0.00 C ATOM 672 CG1 ILE C 133 28.492 3.443 -23.537 1.00 0.00 C ATOM 673 CG2 ILE C 133 26.205 2.543 -23.959 1.00 0.00 C ATOM 674 CD1 ILE C 133 28.501 3.176 -22.038 1.00 0.00 C ATOM 0 H ILE C 133 30.033 1.730 -24.423 1.00 0.00 H new ATOM 0 HA ILE C 133 27.838 0.716 -22.805 1.00 0.00 H new ATOM 0 HB ILE C 133 27.863 2.430 -25.349 1.00 0.00 H new ATOM 0 HG12 ILE C 133 29.514 3.470 -23.914 1.00 0.00 H new ATOM 0 HG13 ILE C 133 28.053 4.421 -23.736 1.00 0.00 H new ATOM 0 HG21 ILE C 133 25.895 3.540 -24.272 1.00 0.00 H new ATOM 0 HG22 ILE C 133 25.617 1.796 -24.492 1.00 0.00 H new ATOM 0 HG23 ILE C 133 26.044 2.433 -22.887 1.00 0.00 H new ATOM 0 HD11 ILE C 133 29.070 3.956 -21.533 1.00 0.00 H new ATOM 0 HD12 ILE C 133 27.478 3.173 -21.663 1.00 0.00 H new ATOM 0 HD13 ILE C 133 28.961 2.207 -21.844 1.00 0.00 H new ATOM 686 N GLU C 134 28.044 -0.321 -25.949 1.00 0.00 N ATOM 687 CA GLU C 134 27.510 -1.374 -26.870 1.00 0.00 C ATOM 688 C GLU C 134 27.760 -2.763 -26.245 1.00 0.00 C ATOM 689 O GLU C 134 26.871 -3.606 -26.220 1.00 0.00 O ATOM 690 CB GLU C 134 28.282 -1.197 -28.192 1.00 0.00 C ATOM 691 CG GLU C 134 27.317 -1.361 -29.380 1.00 0.00 C ATOM 692 CD GLU C 134 26.776 -2.757 -29.405 1.00 0.00 C ATOM 693 OE1 GLU C 134 27.567 -3.676 -29.547 1.00 0.00 O ATOM 694 OE2 GLU C 134 25.589 -2.911 -29.275 1.00 0.00 O1- ATOM 0 H GLU C 134 28.810 0.236 -26.327 1.00 0.00 H new ATOM 0 HA GLU C 134 26.437 -1.288 -27.041 1.00 0.00 H new ATOM 0 HB2 GLU C 134 28.749 -0.213 -28.223 1.00 0.00 H new ATOM 0 HB3 GLU C 134 29.084 -1.932 -28.258 1.00 0.00 H new ATOM 0 HG2 GLU C 134 26.499 -0.646 -29.297 1.00 0.00 H new ATOM 0 HG3 GLU C 134 27.836 -1.145 -30.314 1.00 0.00 H new ATOM 701 N GLU C 135 28.915 -2.970 -25.624 1.00 0.00 N ATOM 702 CA GLU C 135 29.149 -4.266 -24.895 1.00 0.00 C ATOM 703 C GLU C 135 28.045 -4.390 -23.819 1.00 0.00 C ATOM 704 O GLU C 135 27.443 -5.446 -23.648 1.00 0.00 O ATOM 705 CB GLU C 135 30.526 -4.104 -24.220 1.00 0.00 C ATOM 706 CG GLU C 135 30.990 -5.444 -23.621 1.00 0.00 C ATOM 707 CD GLU C 135 32.256 -5.230 -22.824 1.00 0.00 C ATOM 708 OE1 GLU C 135 33.235 -4.820 -23.400 1.00 0.00 O1- ATOM 709 OE2 GLU C 135 32.236 -5.475 -21.644 1.00 0.00 O ATOM 0 H GLU C 135 29.689 -2.306 -25.594 1.00 0.00 H new ATOM 0 HA GLU C 135 29.126 -5.145 -25.539 1.00 0.00 H new ATOM 0 HB2 GLU C 135 31.256 -3.752 -24.949 1.00 0.00 H new ATOM 0 HB3 GLU C 135 30.468 -3.349 -23.436 1.00 0.00 H new ATOM 0 HG2 GLU C 135 30.211 -5.857 -22.981 1.00 0.00 H new ATOM 0 HG3 GLU C 135 31.167 -6.168 -24.416 1.00 0.00 H new ATOM 716 N LEU C 136 27.714 -3.290 -23.156 1.00 0.00 N ATOM 717 CA LEU C 136 26.590 -3.318 -22.161 1.00 0.00 C ATOM 718 C LEU C 136 25.270 -3.666 -22.867 1.00 0.00 C ATOM 719 O LEU C 136 24.459 -4.389 -22.322 1.00 0.00 O ATOM 720 CB LEU C 136 26.531 -1.914 -21.516 1.00 0.00 C ATOM 721 CG LEU C 136 27.848 -1.613 -20.769 1.00 0.00 C ATOM 722 CD1 LEU C 136 27.802 -0.211 -20.167 1.00 0.00 C ATOM 723 CD2 LEU C 136 28.050 -2.631 -19.642 1.00 0.00 C ATOM 0 H LEU C 136 28.173 -2.386 -23.265 1.00 0.00 H new ATOM 0 HA LEU C 136 26.751 -4.078 -21.396 1.00 0.00 H new ATOM 0 HB2 LEU C 136 26.360 -1.160 -22.284 1.00 0.00 H new ATOM 0 HB3 LEU C 136 25.691 -1.859 -20.823 1.00 0.00 H new ATOM 0 HG LEU C 136 28.673 -1.678 -21.478 1.00 0.00 H new ATOM 0 HD11 LEU C 136 28.736 -0.009 -19.642 1.00 0.00 H new ATOM 0 HD12 LEU C 136 27.667 0.522 -20.962 1.00 0.00 H new ATOM 0 HD13 LEU C 136 26.970 -0.143 -19.466 1.00 0.00 H new ATOM 0 HD21 LEU C 136 28.981 -2.414 -19.118 1.00 0.00 H new ATOM 0 HD22 LEU C 136 27.217 -2.569 -18.942 1.00 0.00 H new ATOM 0 HD23 LEU C 136 28.096 -3.635 -20.063 1.00 0.00 H new ATOM 735 N MET C 137 25.058 -3.204 -24.100 1.00 0.00 N ATOM 736 CA MET C 137 23.785 -3.599 -24.829 1.00 0.00 C ATOM 737 C MET C 137 23.747 -5.099 -24.966 1.00 0.00 C ATOM 738 O MET C 137 22.724 -5.695 -24.823 1.00 0.00 O ATOM 739 CB MET C 137 23.868 -3.049 -26.258 1.00 0.00 C ATOM 740 CG MET C 137 23.863 -1.544 -26.284 1.00 0.00 C ATOM 741 SD MET C 137 22.396 -0.884 -25.431 1.00 0.00 S ATOM 742 CE MET C 137 21.137 -1.572 -26.539 1.00 0.00 C ATOM 0 H MET C 137 25.690 -2.591 -24.616 1.00 0.00 H new ATOM 0 HA MET C 137 22.918 -3.222 -24.286 1.00 0.00 H new ATOM 0 HB2 MET C 137 24.776 -3.417 -26.736 1.00 0.00 H new ATOM 0 HB3 MET C 137 23.027 -3.424 -26.840 1.00 0.00 H new ATOM 0 HG2 MET C 137 24.767 -1.165 -25.807 1.00 0.00 H new ATOM 0 HG3 MET C 137 23.876 -1.194 -27.316 1.00 0.00 H new ATOM 0 HE1 MET C 137 20.201 -1.028 -26.409 1.00 0.00 H new ATOM 0 HE2 MET C 137 21.471 -1.478 -27.572 1.00 0.00 H new ATOM 0 HE3 MET C 137 20.980 -2.625 -26.303 1.00 0.00 H new ATOM 752 N LYS C 138 24.861 -5.709 -25.284 1.00 0.00 N ATOM 753 CA LYS C 138 24.867 -7.196 -25.463 1.00 0.00 C ATOM 754 C LYS C 138 24.524 -7.870 -24.142 1.00 0.00 C ATOM 755 O LYS C 138 23.726 -8.782 -24.104 1.00 0.00 O ATOM 756 CB LYS C 138 26.280 -7.552 -25.968 1.00 0.00 C ATOM 757 CG LYS C 138 26.580 -6.755 -27.274 1.00 0.00 C ATOM 758 CD LYS C 138 25.498 -7.046 -28.339 1.00 0.00 C ATOM 759 CE LYS C 138 25.525 -5.973 -29.440 1.00 0.00 C ATOM 760 NZ LYS C 138 26.882 -6.026 -30.047 1.00 0.00 N1+ ATOM 0 H LYS C 138 25.760 -5.248 -25.427 1.00 0.00 H new ATOM 0 HA LYS C 138 24.122 -7.542 -26.179 1.00 0.00 H new ATOM 0 HB2 LYS C 138 27.021 -7.314 -25.205 1.00 0.00 H new ATOM 0 HB3 LYS C 138 26.351 -8.623 -26.158 1.00 0.00 H new ATOM 0 HG2 LYS C 138 26.610 -5.687 -27.058 1.00 0.00 H new ATOM 0 HG3 LYS C 138 27.562 -7.030 -27.659 1.00 0.00 H new ATOM 0 HD2 LYS C 138 25.666 -8.030 -28.777 1.00 0.00 H new ATOM 0 HD3 LYS C 138 24.514 -7.070 -27.870 1.00 0.00 H new ATOM 0 HE2 LYS C 138 24.757 -6.166 -30.189 1.00 0.00 H new ATOM 0 HE3 LYS C 138 25.324 -4.986 -29.025 1.00 0.00 H new ATOM 0 HZ1 LYS C 138 26.801 -5.977 -31.083 1.00 0.00 H new ATOM 0 HZ2 LYS C 138 27.447 -5.223 -29.705 1.00 0.00 H new ATOM 0 HZ3 LYS C 138 27.348 -6.916 -29.778 1.00 0.00 H new ATOM 774 N ASP C 139 25.052 -7.370 -23.046 1.00 0.00 N ATOM 775 CA ASP C 139 24.647 -7.926 -21.713 1.00 0.00 C ATOM 776 C ASP C 139 23.181 -7.550 -21.421 1.00 0.00 C ATOM 777 O ASP C 139 22.444 -8.310 -20.824 1.00 0.00 O ATOM 778 CB ASP C 139 25.572 -7.272 -20.679 1.00 0.00 C ATOM 779 CG ASP C 139 25.388 -7.977 -19.353 1.00 0.00 C ATOM 780 OD1 ASP C 139 25.945 -9.044 -19.196 1.00 0.00 O1- ATOM 781 OD2 ASP C 139 24.682 -7.457 -18.516 1.00 0.00 O ATOM 0 H ASP C 139 25.735 -6.613 -23.016 1.00 0.00 H new ATOM 0 HA ASP C 139 24.728 -9.013 -21.687 1.00 0.00 H new ATOM 0 HB2 ASP C 139 26.610 -7.341 -21.003 1.00 0.00 H new ATOM 0 HB3 ASP C 139 25.339 -6.212 -20.580 1.00 0.00 H new ATOM 786 N GLY C 140 22.789 -6.338 -21.768 1.00 0.00 N ATOM 787 CA GLY C 140 21.408 -5.834 -21.467 1.00 0.00 C ATOM 788 C GLY C 140 20.354 -6.384 -22.434 1.00 0.00 C ATOM 789 O GLY C 140 19.207 -6.547 -22.052 1.00 0.00 O ATOM 0 H GLY C 140 23.383 -5.668 -22.256 1.00 0.00 H new ATOM 0 HA2 GLY C 140 21.139 -6.110 -20.447 1.00 0.00 H new ATOM 0 HA3 GLY C 140 21.405 -4.745 -21.514 1.00 0.00 H new ATOM 793 N ASP C 141 20.685 -6.595 -23.694 1.00 0.00 N ATOM 794 CA ASP C 141 19.647 -7.057 -24.673 1.00 0.00 C ATOM 795 C ASP C 141 19.558 -8.591 -24.650 1.00 0.00 C ATOM 796 O ASP C 141 20.549 -9.279 -24.750 1.00 0.00 O ATOM 797 CB ASP C 141 20.054 -6.527 -26.063 1.00 0.00 C ATOM 798 CG ASP C 141 18.873 -6.692 -26.989 1.00 0.00 C ATOM 799 OD1 ASP C 141 17.964 -5.896 -26.893 1.00 0.00 O ATOM 800 OD2 ASP C 141 18.852 -7.597 -27.742 1.00 0.00 O1- ATOM 0 H ASP C 141 21.621 -6.468 -24.080 1.00 0.00 H new ATOM 0 HA ASP C 141 18.659 -6.676 -24.416 1.00 0.00 H new ATOM 0 HB2 ASP C 141 20.346 -5.479 -26.001 1.00 0.00 H new ATOM 0 HB3 ASP C 141 20.916 -7.076 -26.443 1.00 0.00 H new ATOM 805 N LYS C 142 18.394 -9.117 -24.367 1.00 0.00 N ATOM 806 CA LYS C 142 18.246 -10.607 -24.165 1.00 0.00 C ATOM 807 C LYS C 142 17.863 -11.353 -25.452 1.00 0.00 C ATOM 808 O LYS C 142 18.209 -12.516 -25.604 1.00 0.00 O ATOM 809 CB LYS C 142 17.146 -10.767 -23.089 1.00 0.00 C ATOM 810 CG LYS C 142 17.756 -10.643 -21.657 1.00 0.00 C ATOM 811 CD LYS C 142 18.537 -9.329 -21.485 1.00 0.00 C ATOM 812 CE LYS C 142 20.053 -9.584 -21.713 1.00 0.00 C ATOM 813 NZ LYS C 142 20.627 -9.959 -20.394 1.00 0.00 N1+ ATOM 0 H LYS C 142 17.531 -8.584 -24.265 1.00 0.00 H new ATOM 0 HA LYS C 142 19.197 -11.045 -23.861 1.00 0.00 H new ATOM 0 HB2 LYS C 142 16.378 -10.006 -23.230 1.00 0.00 H new ATOM 0 HB3 LYS C 142 16.659 -11.736 -23.200 1.00 0.00 H new ATOM 0 HG2 LYS C 142 16.958 -10.692 -20.916 1.00 0.00 H new ATOM 0 HG3 LYS C 142 18.419 -11.488 -21.469 1.00 0.00 H new ATOM 0 HD2 LYS C 142 18.174 -8.584 -22.193 1.00 0.00 H new ATOM 0 HD3 LYS C 142 18.373 -8.926 -20.486 1.00 0.00 H new ATOM 0 HE2 LYS C 142 20.206 -10.380 -22.442 1.00 0.00 H new ATOM 0 HE3 LYS C 142 20.540 -8.692 -22.108 1.00 0.00 H new ATOM 0 HZ1 LYS C 142 21.492 -9.408 -20.222 1.00 0.00 H new ATOM 0 HZ2 LYS C 142 19.934 -9.759 -19.644 1.00 0.00 H new ATOM 0 HZ3 LYS C 142 20.857 -10.973 -20.391 1.00 0.00 H new ATOM 827 N ASN C 143 17.097 -10.759 -26.344 1.00 0.00 N ATOM 828 CA ASN C 143 16.661 -11.546 -27.564 1.00 0.00 C ATOM 829 C ASN C 143 17.062 -10.851 -28.866 1.00 0.00 C ATOM 830 O ASN C 143 16.310 -10.873 -29.834 1.00 0.00 O ATOM 831 CB ASN C 143 15.130 -11.663 -27.460 1.00 0.00 C ATOM 832 CG ASN C 143 14.655 -12.819 -28.352 1.00 0.00 C ATOM 833 OD1 ASN C 143 15.225 -13.897 -28.324 1.00 0.00 O ATOM 834 ND2 ASN C 143 13.642 -12.654 -29.135 1.00 0.00 N ATOM 0 H ASN C 143 16.761 -9.797 -26.291 1.00 0.00 H new ATOM 0 HA ASN C 143 17.145 -12.522 -27.587 1.00 0.00 H new ATOM 0 HB2 ASN C 143 14.835 -11.840 -26.426 1.00 0.00 H new ATOM 0 HB3 ASN C 143 14.659 -10.730 -27.770 1.00 0.00 H new ATOM 0 HD21 ASN C 143 13.323 -13.422 -29.725 1.00 0.00 H new ATOM 0 HD22 ASN C 143 13.161 -11.755 -29.164 1.00 0.00 H new ATOM 841 N ASN C 144 18.225 -10.215 -28.902 1.00 0.00 N ATOM 842 CA ASN C 144 18.705 -9.496 -30.156 1.00 0.00 C ATOM 843 C ASN C 144 17.591 -8.576 -30.699 1.00 0.00 C ATOM 844 O ASN C 144 17.362 -8.485 -31.911 1.00 0.00 O ATOM 845 CB ASN C 144 19.043 -10.618 -31.162 1.00 0.00 C ATOM 846 CG ASN C 144 19.747 -10.033 -32.394 1.00 0.00 C ATOM 847 OD1 ASN C 144 20.612 -9.181 -32.276 1.00 0.00 O ATOM 848 ND2 ASN C 144 19.416 -10.444 -33.578 1.00 0.00 N ATOM 0 H ASN C 144 18.869 -10.161 -28.113 1.00 0.00 H new ATOM 0 HA ASN C 144 19.569 -8.860 -29.966 1.00 0.00 H new ATOM 0 HB2 ASN C 144 19.684 -11.361 -30.687 1.00 0.00 H new ATOM 0 HB3 ASN C 144 18.130 -11.131 -31.465 1.00 0.00 H new ATOM 0 HD21 ASN C 144 19.878 -10.055 -34.400 1.00 0.00 H new ATOM 0 HD22 ASN C 144 18.694 -11.156 -33.687 1.00 0.00 H new ATOM 855 N ASP C 145 16.901 -7.889 -29.820 1.00 0.00 N ATOM 856 CA ASP C 145 15.787 -6.972 -30.256 1.00 0.00 C ATOM 857 C ASP C 145 16.274 -5.505 -30.441 1.00 0.00 C ATOM 858 O ASP C 145 15.491 -4.629 -30.739 1.00 0.00 O ATOM 859 CB ASP C 145 14.671 -7.095 -29.175 1.00 0.00 C ATOM 860 CG ASP C 145 15.178 -6.698 -27.830 1.00 0.00 C ATOM 861 OD1 ASP C 145 15.729 -7.477 -27.150 1.00 0.00 O ATOM 862 OD2 ASP C 145 15.039 -5.603 -27.466 1.00 0.00 O1- ATOM 0 H ASP C 145 17.059 -7.921 -28.813 1.00 0.00 H new ATOM 0 HA ASP C 145 15.406 -7.261 -31.236 1.00 0.00 H new ATOM 0 HB2 ASP C 145 13.825 -6.465 -29.448 1.00 0.00 H new ATOM 0 HB3 ASP C 145 14.306 -8.121 -29.141 1.00 0.00 H new ATOM 867 N GLY C 146 17.572 -5.248 -30.326 1.00 0.00 N ATOM 868 CA GLY C 146 18.136 -3.869 -30.622 1.00 0.00 C ATOM 869 C GLY C 146 17.741 -2.804 -29.575 1.00 0.00 C ATOM 870 O GLY C 146 18.022 -1.639 -29.761 1.00 0.00 O ATOM 0 H GLY C 146 18.267 -5.937 -30.039 1.00 0.00 H new ATOM 0 HA2 GLY C 146 19.223 -3.933 -30.672 1.00 0.00 H new ATOM 0 HA3 GLY C 146 17.790 -3.547 -31.604 1.00 0.00 H new ATOM 874 N ARG C 147 17.125 -3.176 -28.479 1.00 0.00 N ATOM 875 CA ARG C 147 16.735 -2.157 -27.427 1.00 0.00 C ATOM 876 C ARG C 147 16.687 -2.845 -26.063 1.00 0.00 C ATOM 877 O ARG C 147 16.479 -4.067 -25.986 1.00 0.00 O ATOM 878 CB ARG C 147 15.300 -1.666 -27.846 1.00 0.00 C ATOM 879 CG ARG C 147 14.315 -2.859 -27.885 1.00 0.00 C ATOM 880 CD ARG C 147 12.929 -2.445 -28.428 1.00 0.00 C ATOM 881 NE ARG C 147 12.132 -3.737 -28.472 1.00 0.00 N ATOM 882 CZ ARG C 147 11.690 -4.316 -27.364 1.00 0.00 C ATOM 883 NH1 ARG C 147 12.476 -5.111 -26.705 1.00 0.00 N ATOM 884 NH2 ARG C 147 10.463 -4.091 -26.941 1.00 0.00 N1+ ATOM 0 H ARG C 147 16.871 -4.139 -28.258 1.00 0.00 H new ATOM 0 HA ARG C 147 17.438 -1.327 -27.357 1.00 0.00 H new ATOM 0 HB2 ARG C 147 14.945 -0.915 -27.140 1.00 0.00 H new ATOM 0 HB3 ARG C 147 15.343 -1.189 -28.825 1.00 0.00 H new ATOM 0 HG2 ARG C 147 14.728 -3.650 -28.510 1.00 0.00 H new ATOM 0 HG3 ARG C 147 14.204 -3.271 -26.882 1.00 0.00 H new ATOM 0 HD2 ARG C 147 12.454 -1.708 -27.780 1.00 0.00 H new ATOM 0 HD3 ARG C 147 13.009 -1.995 -29.418 1.00 0.00 H new ATOM 0 HE ARG C 147 11.932 -4.169 -29.374 1.00 0.00 H new ATOM 0 HH11 ARG C 147 13.423 -5.285 -27.041 1.00 0.00 H new ATOM 0 HH12 ARG C 147 12.146 -5.562 -25.851 1.00 0.00 H new ATOM 0 HH21 ARG C 147 9.848 -3.469 -27.466 1.00 0.00 H new ATOM 0 HH22 ARG C 147 10.127 -4.539 -26.088 1.00 0.00 H new ATOM 898 N ILE C 148 16.758 -2.120 -24.993 1.00 0.00 N ATOM 899 CA ILE C 148 16.565 -2.799 -23.680 1.00 0.00 C ATOM 900 C ILE C 148 15.186 -2.361 -23.210 1.00 0.00 C ATOM 901 O ILE C 148 14.925 -1.168 -23.028 1.00 0.00 O ATOM 902 CB ILE C 148 17.687 -2.270 -22.727 1.00 0.00 C ATOM 903 CG1 ILE C 148 19.078 -2.332 -23.413 1.00 0.00 C ATOM 904 CG2 ILE C 148 17.738 -3.151 -21.475 1.00 0.00 C ATOM 905 CD1 ILE C 148 19.340 -3.734 -23.973 1.00 0.00 C ATOM 0 H ILE C 148 16.935 -1.116 -24.960 1.00 0.00 H new ATOM 0 HA ILE C 148 16.625 -3.887 -23.718 1.00 0.00 H new ATOM 0 HB ILE C 148 17.457 -1.235 -22.473 1.00 0.00 H new ATOM 0 HG12 ILE C 148 19.126 -1.598 -24.218 1.00 0.00 H new ATOM 0 HG13 ILE C 148 19.856 -2.070 -22.696 1.00 0.00 H new ATOM 0 HG21 ILE C 148 18.518 -2.788 -20.806 1.00 0.00 H new ATOM 0 HG22 ILE C 148 16.776 -3.114 -20.964 1.00 0.00 H new ATOM 0 HG23 ILE C 148 17.956 -4.179 -21.762 1.00 0.00 H new ATOM 0 HD11 ILE C 148 20.320 -3.758 -24.450 1.00 0.00 H new ATOM 0 HD12 ILE C 148 19.314 -4.461 -23.161 1.00 0.00 H new ATOM 0 HD13 ILE C 148 18.573 -3.982 -24.707 1.00 0.00 H new ATOM 917 N ASP C 149 14.276 -3.284 -23.088 1.00 0.00 N ATOM 918 CA ASP C 149 12.894 -2.909 -22.682 1.00 0.00 C ATOM 919 C ASP C 149 12.684 -3.204 -21.211 1.00 0.00 C ATOM 920 O ASP C 149 13.634 -3.426 -20.468 1.00 0.00 O ATOM 921 CB ASP C 149 11.909 -3.684 -23.611 1.00 0.00 C ATOM 922 CG ASP C 149 11.973 -5.209 -23.438 1.00 0.00 C ATOM 923 OD1 ASP C 149 12.339 -5.678 -22.396 1.00 0.00 O1- ATOM 924 OD2 ASP C 149 11.604 -5.876 -24.381 1.00 0.00 O ATOM 0 H ASP C 149 14.428 -4.279 -23.251 1.00 0.00 H new ATOM 0 HA ASP C 149 12.714 -1.840 -22.798 1.00 0.00 H new ATOM 0 HB2 ASP C 149 10.892 -3.346 -23.411 1.00 0.00 H new ATOM 0 HB3 ASP C 149 12.129 -3.435 -24.649 1.00 0.00 H new ATOM 929 N TYR C 150 11.470 -3.105 -20.763 1.00 0.00 N ATOM 930 CA TYR C 150 11.169 -3.265 -19.307 1.00 0.00 C ATOM 931 C TYR C 150 11.660 -4.649 -18.804 1.00 0.00 C ATOM 932 O TYR C 150 12.312 -4.737 -17.762 1.00 0.00 O ATOM 933 CB TYR C 150 9.633 -3.186 -19.244 1.00 0.00 C ATOM 934 CG TYR C 150 9.163 -3.005 -17.829 1.00 0.00 C ATOM 935 CD1 TYR C 150 8.886 -4.112 -17.019 1.00 0.00 C ATOM 936 CD2 TYR C 150 8.995 -1.714 -17.331 1.00 0.00 C ATOM 937 CE1 TYR C 150 8.427 -3.918 -15.710 1.00 0.00 C ATOM 938 CE2 TYR C 150 8.542 -1.521 -16.036 1.00 0.00 C ATOM 939 CZ TYR C 150 8.260 -2.620 -15.215 1.00 0.00 C ATOM 940 OH TYR C 150 7.810 -2.428 -13.921 1.00 0.00 O ATOM 0 H TYR C 150 10.656 -2.917 -21.348 1.00 0.00 H new ATOM 0 HA TYR C 150 11.660 -2.516 -18.685 1.00 0.00 H new ATOM 0 HB2 TYR C 150 9.282 -2.356 -19.857 1.00 0.00 H new ATOM 0 HB3 TYR C 150 9.201 -4.095 -19.661 1.00 0.00 H new ATOM 0 HD1 TYR C 150 9.026 -5.112 -17.402 1.00 0.00 H new ATOM 0 HD2 TYR C 150 9.218 -0.862 -17.956 1.00 0.00 H new ATOM 0 HE1 TYR C 150 8.202 -4.769 -15.084 1.00 0.00 H new ATOM 0 HE2 TYR C 150 8.406 -0.519 -15.658 1.00 0.00 H new ATOM 0 HH TYR C 150 7.433 -3.265 -13.578 1.00 0.00 H new ATOM 950 N ASP C 151 11.374 -5.718 -19.536 1.00 0.00 N ATOM 951 CA ASP C 151 11.822 -7.093 -19.090 1.00 0.00 C ATOM 952 C ASP C 151 13.342 -7.193 -19.109 1.00 0.00 C ATOM 953 O ASP C 151 13.953 -7.672 -18.151 1.00 0.00 O ATOM 954 CB ASP C 151 11.232 -8.091 -20.116 1.00 0.00 C ATOM 955 CG ASP C 151 9.711 -8.074 -20.074 1.00 0.00 C ATOM 956 OD1 ASP C 151 9.157 -8.388 -19.043 1.00 0.00 O ATOM 957 OD2 ASP C 151 9.117 -7.759 -21.083 1.00 0.00 O1- ATOM 0 H ASP C 151 10.855 -5.697 -20.414 1.00 0.00 H new ATOM 0 HA ASP C 151 11.486 -7.301 -18.074 1.00 0.00 H new ATOM 0 HB2 ASP C 151 11.575 -7.835 -21.118 1.00 0.00 H new ATOM 0 HB3 ASP C 151 11.595 -9.096 -19.902 1.00 0.00 H new ATOM 962 N GLU C 152 13.973 -6.745 -20.183 1.00 0.00 N ATOM 963 CA GLU C 152 15.480 -6.822 -20.258 1.00 0.00 C ATOM 964 C GLU C 152 16.088 -5.883 -19.206 1.00 0.00 C ATOM 965 O GLU C 152 17.104 -6.179 -18.603 1.00 0.00 O ATOM 966 CB GLU C 152 15.863 -6.297 -21.659 1.00 0.00 C ATOM 967 CG GLU C 152 15.237 -7.152 -22.771 1.00 0.00 C ATOM 968 CD GLU C 152 15.670 -6.615 -24.102 1.00 0.00 C ATOM 969 OE1 GLU C 152 15.049 -5.770 -24.640 1.00 0.00 O ATOM 970 OE2 GLU C 152 16.646 -7.020 -24.600 1.00 0.00 O1- ATOM 0 H GLU C 152 13.517 -6.336 -20.999 1.00 0.00 H new ATOM 0 HA GLU C 152 15.838 -7.837 -20.083 1.00 0.00 H new ATOM 0 HB2 GLU C 152 15.533 -5.263 -21.764 1.00 0.00 H new ATOM 0 HB3 GLU C 152 16.948 -6.298 -21.765 1.00 0.00 H new ATOM 0 HG2 GLU C 152 15.547 -8.192 -22.666 1.00 0.00 H new ATOM 0 HG3 GLU C 152 14.150 -7.134 -22.693 1.00 0.00 H new ATOM 977 N PHE C 153 15.513 -4.715 -19.031 1.00 0.00 N ATOM 978 CA PHE C 153 16.111 -3.741 -18.078 1.00 0.00 C ATOM 979 C PHE C 153 15.973 -4.233 -16.636 1.00 0.00 C ATOM 980 O PHE C 153 16.894 -4.087 -15.847 1.00 0.00 O ATOM 981 CB PHE C 153 15.401 -2.399 -18.304 1.00 0.00 C ATOM 982 CG PHE C 153 16.280 -1.277 -17.800 1.00 0.00 C ATOM 983 CD1 PHE C 153 17.584 -1.138 -18.299 1.00 0.00 C ATOM 984 CD2 PHE C 153 15.803 -0.371 -16.852 1.00 0.00 C ATOM 985 CE1 PHE C 153 18.403 -0.111 -17.846 1.00 0.00 C ATOM 986 CE2 PHE C 153 16.627 0.663 -16.401 1.00 0.00 C ATOM 987 CZ PHE C 153 17.927 0.790 -16.902 1.00 0.00 C ATOM 0 H PHE C 153 14.665 -4.402 -19.504 1.00 0.00 H new ATOM 0 HA PHE C 153 17.181 -3.627 -18.252 1.00 0.00 H new ATOM 0 HB2 PHE C 153 15.188 -2.261 -19.364 1.00 0.00 H new ATOM 0 HB3 PHE C 153 14.444 -2.389 -17.783 1.00 0.00 H new ATOM 0 HD1 PHE C 153 17.953 -1.833 -19.039 1.00 0.00 H new ATOM 0 HD2 PHE C 153 14.798 -0.469 -16.468 1.00 0.00 H new ATOM 0 HE1 PHE C 153 19.409 -0.013 -18.227 1.00 0.00 H new ATOM 0 HE2 PHE C 153 16.261 1.364 -15.666 1.00 0.00 H new ATOM 0 HZ PHE C 153 18.562 1.591 -16.554 1.00 0.00 H new ATOM 997 N LEU C 154 14.838 -4.811 -16.274 1.00 0.00 N ATOM 998 CA LEU C 154 14.666 -5.327 -14.859 1.00 0.00 C ATOM 999 C LEU C 154 15.797 -6.292 -14.499 1.00 0.00 C ATOM 1000 O LEU C 154 16.460 -6.114 -13.487 1.00 0.00 O ATOM 1001 CB LEU C 154 13.304 -6.075 -14.865 1.00 0.00 C ATOM 1002 CG LEU C 154 13.109 -6.884 -13.558 1.00 0.00 C ATOM 1003 CD1 LEU C 154 13.283 -5.993 -12.327 1.00 0.00 C ATOM 1004 CD2 LEU C 154 11.706 -7.494 -13.538 1.00 0.00 C ATOM 0 H LEU C 154 14.034 -4.947 -16.886 1.00 0.00 H new ATOM 0 HA LEU C 154 14.691 -4.521 -14.126 1.00 0.00 H new ATOM 0 HB2 LEU C 154 12.491 -5.357 -14.977 1.00 0.00 H new ATOM 0 HB3 LEU C 154 13.257 -6.746 -15.723 1.00 0.00 H new ATOM 0 HG LEU C 154 13.863 -7.670 -13.529 1.00 0.00 H new ATOM 0 HD11 LEU C 154 13.141 -6.587 -11.425 1.00 0.00 H new ATOM 0 HD12 LEU C 154 14.286 -5.566 -12.326 1.00 0.00 H new ATOM 0 HD13 LEU C 154 12.547 -5.190 -12.352 1.00 0.00 H new ATOM 0 HD21 LEU C 154 11.570 -8.063 -12.618 1.00 0.00 H new ATOM 0 HD22 LEU C 154 10.963 -6.698 -13.586 1.00 0.00 H new ATOM 0 HD23 LEU C 154 11.585 -8.156 -14.395 1.00 0.00 H new ATOM 1016 N GLU C 155 16.059 -7.285 -15.326 1.00 0.00 N ATOM 1017 CA GLU C 155 17.177 -8.224 -14.988 1.00 0.00 C ATOM 1018 C GLU C 155 18.537 -7.509 -15.116 1.00 0.00 C ATOM 1019 O GLU C 155 19.430 -7.721 -14.310 1.00 0.00 O ATOM 1020 CB GLU C 155 17.051 -9.448 -15.920 1.00 0.00 C ATOM 1021 CG GLU C 155 17.072 -9.052 -17.401 1.00 0.00 C ATOM 1022 CD GLU C 155 17.895 -10.053 -18.142 1.00 0.00 C ATOM 1023 OE1 GLU C 155 17.402 -11.121 -18.399 1.00 0.00 O1- ATOM 1024 OE2 GLU C 155 19.022 -9.762 -18.414 1.00 0.00 O ATOM 0 H GLU C 155 15.561 -7.480 -16.195 1.00 0.00 H new ATOM 0 HA GLU C 155 17.115 -8.561 -13.953 1.00 0.00 H new ATOM 0 HB2 GLU C 155 17.868 -10.141 -15.719 1.00 0.00 H new ATOM 0 HB3 GLU C 155 16.123 -9.976 -15.700 1.00 0.00 H new ATOM 0 HG2 GLU C 155 16.058 -9.023 -17.801 1.00 0.00 H new ATOM 0 HG3 GLU C 155 17.491 -8.053 -17.521 1.00 0.00 H new ATOM 1031 N PHE C 156 18.666 -6.606 -16.068 1.00 0.00 N ATOM 1032 CA PHE C 156 19.931 -5.810 -16.216 1.00 0.00 C ATOM 1033 C PHE C 156 20.174 -5.022 -14.919 1.00 0.00 C ATOM 1034 O PHE C 156 21.227 -5.133 -14.311 1.00 0.00 O ATOM 1035 CB PHE C 156 19.621 -4.862 -17.405 1.00 0.00 C ATOM 1036 CG PHE C 156 20.819 -4.034 -17.805 1.00 0.00 C ATOM 1037 CD1 PHE C 156 21.903 -4.630 -18.457 1.00 0.00 C ATOM 1038 CD2 PHE C 156 20.833 -2.658 -17.540 1.00 0.00 C ATOM 1039 CE1 PHE C 156 22.998 -3.857 -18.841 1.00 0.00 C ATOM 1040 CE2 PHE C 156 21.929 -1.883 -17.928 1.00 0.00 C ATOM 1041 CZ PHE C 156 23.014 -2.479 -18.579 1.00 0.00 C ATOM 0 H PHE C 156 17.942 -6.387 -16.753 1.00 0.00 H new ATOM 0 HA PHE C 156 20.824 -6.410 -16.394 1.00 0.00 H new ATOM 0 HB2 PHE C 156 19.288 -5.451 -18.259 1.00 0.00 H new ATOM 0 HB3 PHE C 156 18.799 -4.200 -17.134 1.00 0.00 H new ATOM 0 HD1 PHE C 156 21.892 -5.690 -18.663 1.00 0.00 H new ATOM 0 HD2 PHE C 156 19.997 -2.197 -17.036 1.00 0.00 H new ATOM 0 HE1 PHE C 156 23.836 -4.320 -19.341 1.00 0.00 H new ATOM 0 HE2 PHE C 156 21.938 -0.822 -17.725 1.00 0.00 H new ATOM 0 HZ PHE C 156 23.861 -1.880 -18.879 1.00 0.00 H new ATOM 1051 N MET C 157 19.171 -4.305 -14.429 1.00 0.00 N ATOM 1052 CA MET C 157 19.336 -3.604 -13.108 1.00 0.00 C ATOM 1053 C MET C 157 19.485 -4.636 -11.984 1.00 0.00 C ATOM 1054 O MET C 157 20.272 -4.455 -11.095 1.00 0.00 O ATOM 1055 CB MET C 157 18.082 -2.745 -12.898 1.00 0.00 C ATOM 1056 CG MET C 157 18.071 -1.586 -13.907 1.00 0.00 C ATOM 1057 SD MET C 157 16.727 -0.449 -13.498 1.00 0.00 S ATOM 1058 CE MET C 157 15.372 -1.602 -13.788 1.00 0.00 C ATOM 0 H MET C 157 18.265 -4.180 -14.881 1.00 0.00 H new ATOM 0 HA MET C 157 20.230 -2.980 -13.099 1.00 0.00 H new ATOM 0 HB2 MET C 157 17.187 -3.355 -13.021 1.00 0.00 H new ATOM 0 HB3 MET C 157 18.064 -2.354 -11.881 1.00 0.00 H new ATOM 0 HG2 MET C 157 19.026 -1.061 -13.885 1.00 0.00 H new ATOM 0 HG3 MET C 157 17.942 -1.971 -14.919 1.00 0.00 H new ATOM 0 HE1 MET C 157 14.471 -1.047 -14.048 1.00 0.00 H new ATOM 0 HE2 MET C 157 15.634 -2.273 -14.606 1.00 0.00 H new ATOM 0 HE3 MET C 157 15.191 -2.185 -12.885 1.00 0.00 H new