USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=12 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 Single : C 98 SER OG : rot 91:sc= 1.28 USER MOD Single : C 103 MET CE :methyl -116:sc= -0.0469 (180deg=-1.06) USER MOD Single : C 106 LYS NZ :NH3+ 174:sc= -0.237 (180deg=-0.313) USER MOD Single : C 107 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.054) USER MOD Single : C 111 TYR OH : rot 180:sc= 0 USER MOD Single : C 118 LYS NZ :NH3+ 168:sc= 1.09 (180deg=0.686) USER MOD Single : C 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 122 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.2!) USER MOD Single : C 124 THR OG1 : rot 89:sc= 1.3 USER MOD Single : C 127 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : C 129 THR OG1 : rot 180:sc= 0.169 USER MOD Single : C 137 MET CE :methyl 150:sc= -3.95! (180deg=-7.33!) USER MOD Single : C 138 LYS NZ :NH3+ -173:sc= 2.19 (180deg=1.92) USER MOD Single : C 142 LYS NZ :NH3+ -160:sc= 1.81 (180deg=0.942) USER MOD Single : C 143 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : C 144 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.046) USER MOD Single : C 150 TYR OH : rot 180:sc= 0 USER MOD Single : C 157 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU C 94 7.842 -4.770 -9.190 1.00 0.00 N ATOM 61 CA GLU C 94 7.381 -4.585 -10.623 1.00 0.00 C ATOM 62 C GLU C 94 6.839 -3.142 -10.788 1.00 0.00 C ATOM 63 O GLU C 94 7.124 -2.457 -11.774 1.00 0.00 O ATOM 64 CB GLU C 94 6.193 -5.553 -10.759 1.00 0.00 C ATOM 65 CG GLU C 94 6.623 -7.005 -10.512 1.00 0.00 C ATOM 66 CD GLU C 94 5.406 -7.783 -10.073 1.00 0.00 C ATOM 67 OE1 GLU C 94 5.066 -7.700 -8.913 1.00 0.00 O ATOM 68 OE2 GLU C 94 4.801 -8.402 -10.887 1.00 0.00 O1- ATOM 0 HA GLU C 94 8.174 -4.759 -11.350 1.00 0.00 H new ATOM 0 HB2 GLU C 94 5.414 -5.277 -10.049 1.00 0.00 H new ATOM 0 HB3 GLU C 94 5.762 -5.464 -11.756 1.00 0.00 H new ATOM 0 HG2 GLU C 94 7.045 -7.437 -11.419 1.00 0.00 H new ATOM 0 HG3 GLU C 94 7.399 -7.048 -9.748 1.00 0.00 H new ATOM 75 N GLU C 95 6.112 -2.653 -9.796 1.00 0.00 N ATOM 76 CA GLU C 95 5.606 -1.244 -9.848 1.00 0.00 C ATOM 77 C GLU C 95 6.828 -0.303 -9.767 1.00 0.00 C ATOM 78 O GLU C 95 6.919 0.682 -10.500 1.00 0.00 O ATOM 79 CB GLU C 95 4.737 -1.093 -8.579 1.00 0.00 C ATOM 80 CG GLU C 95 3.508 -2.035 -8.628 1.00 0.00 C ATOM 81 CD GLU C 95 2.713 -1.895 -7.340 1.00 0.00 C ATOM 82 OE1 GLU C 95 3.154 -2.400 -6.346 1.00 0.00 O1- ATOM 83 OE2 GLU C 95 1.681 -1.277 -7.354 1.00 0.00 O ATOM 0 H GLU C 95 5.852 -3.173 -8.958 1.00 0.00 H new ATOM 0 HA GLU C 95 5.042 -1.012 -10.752 1.00 0.00 H new ATOM 0 HB2 GLU C 95 5.336 -1.317 -7.696 1.00 0.00 H new ATOM 0 HB3 GLU C 95 4.403 -0.060 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU C 95 2.880 -1.788 -9.484 1.00 0.00 H new ATOM 0 HG3 GLU C 95 3.832 -3.068 -8.758 1.00 0.00 H new ATOM 90 N GLU C 96 7.794 -0.640 -8.914 1.00 0.00 N ATOM 91 CA GLU C 96 9.048 0.198 -8.790 1.00 0.00 C ATOM 92 C GLU C 96 9.847 0.117 -10.105 1.00 0.00 C ATOM 93 O GLU C 96 10.319 1.111 -10.621 1.00 0.00 O ATOM 94 CB GLU C 96 9.872 -0.492 -7.672 1.00 0.00 C ATOM 95 CG GLU C 96 9.094 -0.501 -6.330 1.00 0.00 C ATOM 96 CD GLU C 96 9.903 -1.194 -5.219 1.00 0.00 C ATOM 97 OE1 GLU C 96 10.909 -1.827 -5.519 1.00 0.00 O ATOM 98 OE2 GLU C 96 9.499 -1.087 -4.091 1.00 0.00 O1- ATOM 0 H GLU C 96 7.763 -1.456 -8.303 1.00 0.00 H new ATOM 0 HA GLU C 96 8.828 1.244 -8.577 1.00 0.00 H new ATOM 0 HB2 GLU C 96 10.106 -1.515 -7.967 1.00 0.00 H new ATOM 0 HB3 GLU C 96 10.821 0.028 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU C 96 8.866 0.523 -6.032 1.00 0.00 H new ATOM 0 HG3 GLU C 96 8.141 -1.014 -6.463 1.00 0.00 H new ATOM 105 N LEU C 97 9.991 -1.076 -10.645 1.00 0.00 N ATOM 106 CA LEU C 97 10.767 -1.274 -11.918 1.00 0.00 C ATOM 107 C LEU C 97 10.214 -0.404 -13.022 1.00 0.00 C ATOM 108 O LEU C 97 10.964 0.223 -13.767 1.00 0.00 O ATOM 109 CB LEU C 97 10.544 -2.761 -12.283 1.00 0.00 C ATOM 110 CG LEU C 97 11.149 -3.066 -13.667 1.00 0.00 C ATOM 111 CD1 LEU C 97 12.658 -2.976 -13.617 1.00 0.00 C ATOM 112 CD2 LEU C 97 10.727 -4.461 -14.125 1.00 0.00 C ATOM 0 H LEU C 97 9.598 -1.931 -10.252 1.00 0.00 H new ATOM 0 HA LEU C 97 11.818 -1.014 -11.795 1.00 0.00 H new ATOM 0 HB2 LEU C 97 11.002 -3.401 -11.529 1.00 0.00 H new ATOM 0 HB3 LEU C 97 9.478 -2.986 -12.287 1.00 0.00 H new ATOM 0 HG LEU C 97 10.779 -2.328 -14.378 1.00 0.00 H new ATOM 0 HD11 LEU C 97 13.068 -3.194 -14.603 1.00 0.00 H new ATOM 0 HD12 LEU C 97 12.953 -1.971 -13.316 1.00 0.00 H new ATOM 0 HD13 LEU C 97 13.042 -3.698 -12.896 1.00 0.00 H new ATOM 0 HD21 LEU C 97 11.159 -4.669 -15.104 1.00 0.00 H new ATOM 0 HD22 LEU C 97 11.081 -5.202 -13.408 1.00 0.00 H new ATOM 0 HD23 LEU C 97 9.640 -4.509 -14.190 1.00 0.00 H new ATOM 124 N SER C 98 8.929 -0.406 -13.177 1.00 0.00 N ATOM 125 CA SER C 98 8.319 0.377 -14.276 1.00 0.00 C ATOM 126 C SER C 98 8.639 1.875 -14.088 1.00 0.00 C ATOM 127 O SER C 98 9.024 2.567 -15.043 1.00 0.00 O ATOM 128 CB SER C 98 6.819 0.119 -14.137 1.00 0.00 C ATOM 129 OG SER C 98 6.574 -1.303 -14.132 1.00 0.00 O ATOM 0 H SER C 98 8.271 -0.917 -12.589 1.00 0.00 H new ATOM 0 HA SER C 98 8.692 0.095 -15.261 1.00 0.00 H new ATOM 0 HB2 SER C 98 6.446 0.566 -13.216 1.00 0.00 H new ATOM 0 HB3 SER C 98 6.281 0.589 -14.960 1.00 0.00 H new ATOM 0 HG SER C 98 6.591 -1.635 -13.210 1.00 0.00 H new ATOM 135 N ASP C 99 8.531 2.375 -12.859 1.00 0.00 N ATOM 136 CA ASP C 99 8.860 3.817 -12.603 1.00 0.00 C ATOM 137 C ASP C 99 10.353 4.060 -12.799 1.00 0.00 C ATOM 138 O ASP C 99 10.760 5.024 -13.426 1.00 0.00 O ATOM 139 CB ASP C 99 8.451 4.112 -11.150 1.00 0.00 C ATOM 140 CG ASP C 99 7.783 5.467 -11.118 1.00 0.00 C ATOM 141 OD1 ASP C 99 8.482 6.452 -11.139 1.00 0.00 O ATOM 142 OD2 ASP C 99 6.562 5.507 -11.141 1.00 0.00 O1- ATOM 0 H ASP C 99 8.232 1.846 -12.040 1.00 0.00 H new ATOM 0 HA ASP C 99 8.330 4.471 -13.296 1.00 0.00 H new ATOM 0 HB2 ASP C 99 7.771 3.343 -10.782 1.00 0.00 H new ATOM 0 HB3 ASP C 99 9.325 4.103 -10.499 1.00 0.00 H new ATOM 147 N LEU C 100 11.185 3.166 -12.307 1.00 0.00 N ATOM 148 CA LEU C 100 12.669 3.328 -12.528 1.00 0.00 C ATOM 149 C LEU C 100 12.975 3.262 -14.026 1.00 0.00 C ATOM 150 O LEU C 100 13.829 3.964 -14.516 1.00 0.00 O ATOM 151 CB LEU C 100 13.353 2.148 -11.795 1.00 0.00 C ATOM 152 CG LEU C 100 13.116 2.229 -10.268 1.00 0.00 C ATOM 153 CD1 LEU C 100 13.728 1.002 -9.587 1.00 0.00 C ATOM 154 CD2 LEU C 100 13.783 3.492 -9.706 1.00 0.00 C ATOM 0 H LEU C 100 10.910 2.343 -11.770 1.00 0.00 H new ATOM 0 HA LEU C 100 13.028 4.286 -12.151 1.00 0.00 H new ATOM 0 HB2 LEU C 100 12.964 1.204 -12.177 1.00 0.00 H new ATOM 0 HB3 LEU C 100 14.423 2.159 -12.001 1.00 0.00 H new ATOM 0 HG LEU C 100 12.043 2.263 -10.077 1.00 0.00 H new ATOM 0 HD11 LEU C 100 13.560 1.061 -8.512 1.00 0.00 H new ATOM 0 HD12 LEU C 100 13.261 0.098 -9.978 1.00 0.00 H new ATOM 0 HD13 LEU C 100 14.799 0.972 -9.786 1.00 0.00 H new ATOM 0 HD21 LEU C 100 13.614 3.545 -8.631 1.00 0.00 H new ATOM 0 HD22 LEU C 100 14.854 3.456 -9.903 1.00 0.00 H new ATOM 0 HD23 LEU C 100 13.355 4.373 -10.185 1.00 0.00 H new ATOM 166 N PHE C 101 12.305 2.403 -14.757 1.00 0.00 N ATOM 167 CA PHE C 101 12.599 2.287 -16.218 1.00 0.00 C ATOM 168 C PHE C 101 12.269 3.600 -16.957 1.00 0.00 C ATOM 169 O PHE C 101 13.042 4.066 -17.780 1.00 0.00 O ATOM 170 CB PHE C 101 11.690 1.163 -16.742 1.00 0.00 C ATOM 171 CG PHE C 101 12.066 0.877 -18.153 1.00 0.00 C ATOM 172 CD1 PHE C 101 13.165 0.062 -18.424 1.00 0.00 C ATOM 173 CD2 PHE C 101 11.333 1.438 -19.191 1.00 0.00 C ATOM 174 CE1 PHE C 101 13.517 -0.196 -19.742 1.00 0.00 C ATOM 175 CE2 PHE C 101 11.685 1.180 -20.502 1.00 0.00 C ATOM 176 CZ PHE C 101 12.777 0.369 -20.783 1.00 0.00 C ATOM 0 H PHE C 101 11.574 1.783 -14.408 1.00 0.00 H new ATOM 0 HA PHE C 101 13.656 2.078 -16.384 1.00 0.00 H new ATOM 0 HB2 PHE C 101 11.802 0.268 -16.130 1.00 0.00 H new ATOM 0 HB3 PHE C 101 10.643 1.462 -16.681 1.00 0.00 H new ATOM 0 HD1 PHE C 101 13.738 -0.365 -17.614 1.00 0.00 H new ATOM 0 HD2 PHE C 101 10.489 2.075 -18.974 1.00 0.00 H new ATOM 0 HE1 PHE C 101 14.361 -0.832 -19.962 1.00 0.00 H new ATOM 0 HE2 PHE C 101 11.110 1.609 -21.309 1.00 0.00 H new ATOM 0 HZ PHE C 101 13.054 0.175 -21.809 1.00 0.00 H new ATOM 186 N ARG C 102 11.093 4.161 -16.724 1.00 0.00 N ATOM 187 CA ARG C 102 10.683 5.385 -17.509 1.00 0.00 C ATOM 188 C ARG C 102 11.648 6.565 -17.283 1.00 0.00 C ATOM 189 O ARG C 102 11.903 7.330 -18.196 1.00 0.00 O ATOM 190 CB ARG C 102 9.222 5.726 -17.103 1.00 0.00 C ATOM 191 CG ARG C 102 9.157 6.215 -15.656 1.00 0.00 C ATOM 192 CD ARG C 102 7.707 6.281 -15.181 1.00 0.00 C ATOM 193 NE ARG C 102 7.783 6.963 -13.850 1.00 0.00 N ATOM 194 CZ ARG C 102 6.942 7.921 -13.569 1.00 0.00 C ATOM 195 NH1 ARG C 102 6.988 9.046 -14.256 1.00 0.00 N1+ ATOM 196 NH2 ARG C 102 6.067 7.758 -12.603 1.00 0.00 N ATOM 0 H ARG C 102 10.413 3.832 -16.039 1.00 0.00 H new ATOM 0 HA ARG C 102 10.732 5.183 -18.579 1.00 0.00 H new ATOM 0 HB2 ARG C 102 8.825 6.493 -17.768 1.00 0.00 H new ATOM 0 HB3 ARG C 102 8.592 4.844 -17.222 1.00 0.00 H new ATOM 0 HG2 ARG C 102 9.727 5.544 -15.013 1.00 0.00 H new ATOM 0 HG3 ARG C 102 9.617 7.200 -15.577 1.00 0.00 H new ATOM 0 HD2 ARG C 102 7.085 6.841 -15.880 1.00 0.00 H new ATOM 0 HD3 ARG C 102 7.272 5.286 -15.093 1.00 0.00 H new ATOM 0 HE ARG C 102 8.487 6.681 -13.168 1.00 0.00 H new ATOM 0 HH11 ARG C 102 7.677 9.162 -15.000 1.00 0.00 H new ATOM 0 HH12 ARG C 102 6.335 9.800 -14.044 1.00 0.00 H new ATOM 0 HH21 ARG C 102 6.046 6.885 -12.075 1.00 0.00 H new ATOM 0 HH22 ARG C 102 5.408 8.504 -12.380 1.00 0.00 H new ATOM 210 N MET C 103 12.179 6.743 -16.075 1.00 0.00 N ATOM 211 CA MET C 103 13.125 7.912 -15.855 1.00 0.00 C ATOM 212 C MET C 103 14.395 7.746 -16.713 1.00 0.00 C ATOM 213 O MET C 103 14.926 8.717 -17.212 1.00 0.00 O ATOM 214 CB MET C 103 13.472 8.003 -14.336 1.00 0.00 C ATOM 215 CG MET C 103 13.881 6.647 -13.747 1.00 0.00 C ATOM 216 SD MET C 103 14.898 6.911 -12.270 1.00 0.00 S ATOM 217 CE MET C 103 16.486 7.152 -13.118 1.00 0.00 C ATOM 0 H MET C 103 12.006 6.153 -15.261 1.00 0.00 H new ATOM 0 HA MET C 103 12.644 8.840 -16.163 1.00 0.00 H new ATOM 0 HB2 MET C 103 14.283 8.717 -14.194 1.00 0.00 H new ATOM 0 HB3 MET C 103 12.609 8.387 -13.791 1.00 0.00 H new ATOM 0 HG2 MET C 103 12.994 6.067 -13.492 1.00 0.00 H new ATOM 0 HG3 MET C 103 14.437 6.070 -14.486 1.00 0.00 H new ATOM 0 HE1 MET C 103 17.172 6.351 -12.841 1.00 0.00 H new ATOM 0 HE2 MET C 103 16.328 7.138 -14.196 1.00 0.00 H new ATOM 0 HE3 MET C 103 16.912 8.112 -12.826 1.00 0.00 H new ATOM 227 N PHE C 104 14.877 6.520 -16.901 1.00 0.00 N ATOM 228 CA PHE C 104 16.098 6.310 -17.775 1.00 0.00 C ATOM 229 C PHE C 104 15.796 6.665 -19.247 1.00 0.00 C ATOM 230 O PHE C 104 16.656 7.199 -19.946 1.00 0.00 O ATOM 231 CB PHE C 104 16.497 4.816 -17.652 1.00 0.00 C ATOM 232 CG PHE C 104 17.330 4.592 -16.408 1.00 0.00 C ATOM 233 CD1 PHE C 104 18.676 4.979 -16.395 1.00 0.00 C ATOM 234 CD2 PHE C 104 16.765 4.002 -15.277 1.00 0.00 C ATOM 235 CE1 PHE C 104 19.455 4.772 -15.250 1.00 0.00 C ATOM 236 CE2 PHE C 104 17.542 3.796 -14.130 1.00 0.00 C ATOM 237 CZ PHE C 104 18.886 4.180 -14.117 1.00 0.00 C ATOM 0 H PHE C 104 14.484 5.672 -16.494 1.00 0.00 H new ATOM 0 HA PHE C 104 16.911 6.960 -17.450 1.00 0.00 H new ATOM 0 HB2 PHE C 104 15.601 4.196 -17.614 1.00 0.00 H new ATOM 0 HB3 PHE C 104 17.060 4.510 -18.534 1.00 0.00 H new ATOM 0 HD1 PHE C 104 19.114 5.438 -17.269 1.00 0.00 H new ATOM 0 HD2 PHE C 104 15.727 3.704 -15.286 1.00 0.00 H new ATOM 0 HE1 PHE C 104 20.493 5.069 -15.241 1.00 0.00 H new ATOM 0 HE2 PHE C 104 17.102 3.340 -13.255 1.00 0.00 H new ATOM 0 HZ PHE C 104 19.485 4.020 -13.233 1.00 0.00 H new ATOM 247 N ASP C 105 14.602 6.360 -19.732 1.00 0.00 N ATOM 248 CA ASP C 105 14.278 6.649 -21.181 1.00 0.00 C ATOM 249 C ASP C 105 14.010 8.149 -21.376 1.00 0.00 C ATOM 250 O ASP C 105 12.917 8.651 -21.106 1.00 0.00 O ATOM 251 CB ASP C 105 13.003 5.828 -21.490 1.00 0.00 C ATOM 252 CG ASP C 105 12.631 5.953 -22.954 1.00 0.00 C ATOM 253 OD1 ASP C 105 13.504 5.883 -23.784 1.00 0.00 O ATOM 254 OD2 ASP C 105 11.484 6.115 -23.230 1.00 0.00 O1- ATOM 0 H ASP C 105 13.848 5.930 -19.196 1.00 0.00 H new ATOM 0 HA ASP C 105 15.101 6.381 -21.844 1.00 0.00 H new ATOM 0 HB2 ASP C 105 13.169 4.780 -21.239 1.00 0.00 H new ATOM 0 HB3 ASP C 105 12.179 6.178 -20.868 1.00 0.00 H new ATOM 259 N LYS C 106 15.017 8.869 -21.818 1.00 0.00 N ATOM 260 CA LYS C 106 14.885 10.356 -22.028 1.00 0.00 C ATOM 261 C LYS C 106 14.086 10.706 -23.299 1.00 0.00 C ATOM 262 O LYS C 106 13.493 11.759 -23.371 1.00 0.00 O ATOM 263 CB LYS C 106 16.334 10.919 -22.078 1.00 0.00 C ATOM 264 CG LYS C 106 17.116 10.387 -23.306 1.00 0.00 C ATOM 265 CD LYS C 106 18.595 10.847 -23.193 1.00 0.00 C ATOM 266 CE LYS C 106 19.474 10.486 -24.448 1.00 0.00 C ATOM 267 NZ LYS C 106 18.586 10.390 -25.643 1.00 0.00 N1+ ATOM 0 H LYS C 106 15.936 8.489 -22.045 1.00 0.00 H new ATOM 0 HA LYS C 106 14.317 10.807 -21.214 1.00 0.00 H new ATOM 0 HB2 LYS C 106 16.300 12.008 -22.113 1.00 0.00 H new ATOM 0 HB3 LYS C 106 16.862 10.646 -21.164 1.00 0.00 H new ATOM 0 HG2 LYS C 106 17.061 9.299 -23.347 1.00 0.00 H new ATOM 0 HG3 LYS C 106 16.673 10.763 -24.228 1.00 0.00 H new ATOM 0 HD2 LYS C 106 18.619 11.926 -23.044 1.00 0.00 H new ATOM 0 HD3 LYS C 106 19.040 10.393 -22.308 1.00 0.00 H new ATOM 0 HE2 LYS C 106 20.238 11.247 -24.605 1.00 0.00 H new ATOM 0 HE3 LYS C 106 19.993 9.541 -24.286 1.00 0.00 H new ATOM 0 HZ1 LYS C 106 19.165 10.253 -26.496 1.00 0.00 H new ATOM 0 HZ2 LYS C 106 17.939 9.584 -25.531 1.00 0.00 H new ATOM 0 HZ3 LYS C 106 18.034 11.267 -25.737 1.00 0.00 H new ATOM 281 N ASN C 107 14.090 9.855 -24.315 1.00 0.00 N ATOM 282 CA ASN C 107 13.316 10.205 -25.578 1.00 0.00 C ATOM 283 C ASN C 107 11.825 9.813 -25.448 1.00 0.00 C ATOM 284 O ASN C 107 11.082 9.945 -26.409 1.00 0.00 O ATOM 285 CB ASN C 107 13.952 9.391 -26.715 1.00 0.00 C ATOM 286 CG ASN C 107 13.649 10.061 -28.062 1.00 0.00 C ATOM 287 OD1 ASN C 107 14.417 10.879 -28.528 1.00 0.00 O ATOM 288 ND2 ASN C 107 12.564 9.765 -28.704 1.00 0.00 N ATOM 0 H ASN C 107 14.578 8.960 -24.331 1.00 0.00 H new ATOM 0 HA ASN C 107 13.360 11.278 -25.762 1.00 0.00 H new ATOM 0 HB2 ASN C 107 15.030 9.321 -26.567 1.00 0.00 H new ATOM 0 HB3 ASN C 107 13.563 8.373 -26.708 1.00 0.00 H new ATOM 0 HD21 ASN C 107 12.359 10.218 -29.595 1.00 0.00 H new ATOM 0 HD22 ASN C 107 11.915 9.079 -28.319 1.00 0.00 H new ATOM 295 N ALA C 108 11.396 9.250 -24.312 1.00 0.00 N ATOM 296 CA ALA C 108 9.966 8.759 -24.167 1.00 0.00 C ATOM 297 C ALA C 108 9.645 7.759 -25.300 1.00 0.00 C ATOM 298 O ALA C 108 8.510 7.646 -25.747 1.00 0.00 O ATOM 299 CB ALA C 108 9.071 10.009 -24.272 1.00 0.00 C ATOM 0 H ALA C 108 11.978 9.113 -23.486 1.00 0.00 H new ATOM 0 HA ALA C 108 9.805 8.245 -23.220 1.00 0.00 H new ATOM 0 HB1 ALA C 108 8.025 9.717 -24.174 1.00 0.00 H new ATOM 0 HB2 ALA C 108 9.328 10.708 -23.477 1.00 0.00 H new ATOM 0 HB3 ALA C 108 9.225 10.487 -25.239 1.00 0.00 H new ATOM 305 N ASP C 109 10.639 7.017 -25.746 1.00 0.00 N ATOM 306 CA ASP C 109 10.414 5.998 -26.820 1.00 0.00 C ATOM 307 C ASP C 109 10.038 4.623 -26.224 1.00 0.00 C ATOM 308 O ASP C 109 9.744 3.695 -26.963 1.00 0.00 O ATOM 309 CB ASP C 109 11.743 5.913 -27.617 1.00 0.00 C ATOM 310 CG ASP C 109 12.898 5.503 -26.717 1.00 0.00 C ATOM 311 OD1 ASP C 109 12.970 4.401 -26.304 1.00 0.00 O ATOM 312 OD2 ASP C 109 13.702 6.312 -26.423 1.00 0.00 O1- ATOM 0 H ASP C 109 11.599 7.077 -25.408 1.00 0.00 H new ATOM 0 HA ASP C 109 9.582 6.286 -27.463 1.00 0.00 H new ATOM 0 HB2 ASP C 109 11.638 5.193 -28.429 1.00 0.00 H new ATOM 0 HB3 ASP C 109 11.959 6.879 -28.073 1.00 0.00 H new ATOM 317 N GLY C 110 10.022 4.482 -24.914 1.00 0.00 N ATOM 318 CA GLY C 110 9.604 3.184 -24.285 1.00 0.00 C ATOM 319 C GLY C 110 10.805 2.274 -23.970 1.00 0.00 C ATOM 320 O GLY C 110 10.639 1.266 -23.308 1.00 0.00 O ATOM 0 H GLY C 110 10.282 5.214 -24.253 1.00 0.00 H new ATOM 0 HA2 GLY C 110 9.055 3.388 -23.366 1.00 0.00 H new ATOM 0 HA3 GLY C 110 8.921 2.662 -24.955 1.00 0.00 H new ATOM 324 N TYR C 111 11.994 2.573 -24.458 1.00 0.00 N ATOM 325 CA TYR C 111 13.179 1.672 -24.182 1.00 0.00 C ATOM 326 C TYR C 111 14.396 2.500 -23.802 1.00 0.00 C ATOM 327 O TYR C 111 14.591 3.616 -24.320 1.00 0.00 O ATOM 328 CB TYR C 111 13.454 0.943 -25.498 1.00 0.00 C ATOM 329 CG TYR C 111 12.291 0.043 -25.853 1.00 0.00 C ATOM 330 CD1 TYR C 111 11.234 0.548 -26.607 1.00 0.00 C ATOM 331 CD2 TYR C 111 12.266 -1.283 -25.409 1.00 0.00 C ATOM 332 CE1 TYR C 111 10.155 -0.266 -26.930 1.00 0.00 C ATOM 333 CE2 TYR C 111 11.183 -2.101 -25.735 1.00 0.00 C ATOM 334 CZ TYR C 111 10.124 -1.589 -26.494 1.00 0.00 C ATOM 335 OH TYR C 111 9.057 -2.389 -26.819 1.00 0.00 O ATOM 0 H TYR C 111 12.198 3.393 -25.030 1.00 0.00 H new ATOM 0 HA TYR C 111 12.974 0.985 -23.361 1.00 0.00 H new ATOM 0 HB2 TYR C 111 13.618 1.668 -26.295 1.00 0.00 H new ATOM 0 HB3 TYR C 111 14.366 0.353 -25.411 1.00 0.00 H new ATOM 0 HD1 TYR C 111 11.253 1.575 -26.941 1.00 0.00 H new ATOM 0 HD2 TYR C 111 13.081 -1.672 -24.817 1.00 0.00 H new ATOM 0 HE1 TYR C 111 9.340 0.127 -27.519 1.00 0.00 H new ATOM 0 HE2 TYR C 111 11.162 -3.128 -25.402 1.00 0.00 H new ATOM 0 HH TYR C 111 9.190 -3.283 -26.439 1.00 0.00 H new ATOM 345 N ILE C 112 15.292 1.945 -23.022 1.00 0.00 N ATOM 346 CA ILE C 112 16.552 2.691 -22.709 1.00 0.00 C ATOM 347 C ILE C 112 17.505 2.400 -23.873 1.00 0.00 C ATOM 348 O ILE C 112 17.899 1.261 -24.103 1.00 0.00 O ATOM 349 CB ILE C 112 17.092 2.088 -21.378 1.00 0.00 C ATOM 350 CG1 ILE C 112 15.972 1.990 -20.313 1.00 0.00 C ATOM 351 CG2 ILE C 112 18.190 2.993 -20.824 1.00 0.00 C ATOM 352 CD1 ILE C 112 15.191 3.310 -20.227 1.00 0.00 C ATOM 0 H ILE C 112 15.209 1.023 -22.594 1.00 0.00 H new ATOM 0 HA ILE C 112 16.425 3.767 -22.595 1.00 0.00 H new ATOM 0 HB ILE C 112 17.474 1.090 -21.592 1.00 0.00 H new ATOM 0 HG12 ILE C 112 15.293 1.175 -20.565 1.00 0.00 H new ATOM 0 HG13 ILE C 112 16.406 1.754 -19.341 1.00 0.00 H new ATOM 0 HG21 ILE C 112 18.571 2.575 -19.892 1.00 0.00 H new ATOM 0 HG22 ILE C 112 19.002 3.065 -21.548 1.00 0.00 H new ATOM 0 HG23 ILE C 112 17.782 3.986 -20.636 1.00 0.00 H new ATOM 0 HD11 ILE C 112 14.408 3.221 -19.473 1.00 0.00 H new ATOM 0 HD12 ILE C 112 15.870 4.117 -19.952 1.00 0.00 H new ATOM 0 HD13 ILE C 112 14.740 3.529 -21.195 1.00 0.00 H new ATOM 364 N ASP C 113 17.777 3.384 -24.658 1.00 0.00 N ATOM 365 CA ASP C 113 18.584 3.182 -25.913 1.00 0.00 C ATOM 366 C ASP C 113 20.055 3.336 -25.629 1.00 0.00 C ATOM 367 O ASP C 113 20.445 3.951 -24.646 1.00 0.00 O ATOM 368 CB ASP C 113 18.110 4.278 -26.880 1.00 0.00 C ATOM 369 CG ASP C 113 16.632 4.086 -27.158 1.00 0.00 C ATOM 370 OD1 ASP C 113 16.307 3.353 -28.037 1.00 0.00 O1- ATOM 371 OD2 ASP C 113 15.843 4.679 -26.450 1.00 0.00 O ATOM 0 H ASP C 113 17.477 4.345 -24.496 1.00 0.00 H new ATOM 0 HA ASP C 113 18.445 2.183 -26.326 1.00 0.00 H new ATOM 0 HB2 ASP C 113 18.287 5.263 -26.448 1.00 0.00 H new ATOM 0 HB3 ASP C 113 18.677 4.231 -27.810 1.00 0.00 H new ATOM 376 N LEU C 114 20.898 2.831 -26.513 1.00 0.00 N ATOM 377 CA LEU C 114 22.388 2.998 -26.316 1.00 0.00 C ATOM 378 C LEU C 114 22.712 4.483 -26.175 1.00 0.00 C ATOM 379 O LEU C 114 23.517 4.862 -25.343 1.00 0.00 O ATOM 380 CB LEU C 114 23.068 2.452 -27.593 1.00 0.00 C ATOM 381 CG LEU C 114 22.763 0.959 -27.785 1.00 0.00 C ATOM 382 CD1 LEU C 114 23.477 0.455 -29.036 1.00 0.00 C ATOM 383 CD2 LEU C 114 23.264 0.165 -26.571 1.00 0.00 C ATOM 0 H LEU C 114 20.625 2.317 -27.351 1.00 0.00 H new ATOM 0 HA LEU C 114 22.732 2.473 -25.425 1.00 0.00 H new ATOM 0 HB2 LEU C 114 22.721 3.012 -28.461 1.00 0.00 H new ATOM 0 HB3 LEU C 114 24.146 2.601 -27.527 1.00 0.00 H new ATOM 0 HG LEU C 114 21.686 0.824 -27.889 1.00 0.00 H new ATOM 0 HD11 LEU C 114 23.263 -0.605 -29.175 1.00 0.00 H new ATOM 0 HD12 LEU C 114 23.127 1.013 -29.904 1.00 0.00 H new ATOM 0 HD13 LEU C 114 24.552 0.596 -28.923 1.00 0.00 H new ATOM 0 HD21 LEU C 114 23.045 -0.893 -26.713 1.00 0.00 H new ATOM 0 HD22 LEU C 114 24.340 0.302 -26.466 1.00 0.00 H new ATOM 0 HD23 LEU C 114 22.763 0.522 -25.671 1.00 0.00 H new ATOM 395 N ASP C 115 22.054 5.339 -26.947 1.00 0.00 N ATOM 396 CA ASP C 115 22.283 6.817 -26.793 1.00 0.00 C ATOM 397 C ASP C 115 21.887 7.254 -25.381 1.00 0.00 C ATOM 398 O ASP C 115 22.595 8.004 -24.727 1.00 0.00 O ATOM 399 CB ASP C 115 21.354 7.506 -27.812 1.00 0.00 C ATOM 400 CG ASP C 115 21.475 9.009 -27.649 1.00 0.00 C ATOM 401 OD1 ASP C 115 22.538 9.526 -27.929 1.00 0.00 O ATOM 402 OD2 ASP C 115 20.513 9.617 -27.228 1.00 0.00 O1- ATOM 0 H ASP C 115 21.379 5.076 -27.665 1.00 0.00 H new ATOM 0 HA ASP C 115 23.329 7.075 -26.957 1.00 0.00 H new ATOM 0 HB2 ASP C 115 21.625 7.214 -28.827 1.00 0.00 H new ATOM 0 HB3 ASP C 115 20.322 7.192 -27.654 1.00 0.00 H new ATOM 407 N GLU C 116 20.776 6.764 -24.900 1.00 0.00 N ATOM 408 CA GLU C 116 20.326 7.115 -23.521 1.00 0.00 C ATOM 409 C GLU C 116 21.324 6.543 -22.498 1.00 0.00 C ATOM 410 O GLU C 116 21.711 7.226 -21.557 1.00 0.00 O ATOM 411 CB GLU C 116 18.906 6.501 -23.404 1.00 0.00 C ATOM 412 CG GLU C 116 17.988 7.209 -24.446 1.00 0.00 C ATOM 413 CD GLU C 116 16.533 6.757 -24.369 1.00 0.00 C ATOM 414 OE1 GLU C 116 16.262 5.664 -23.971 1.00 0.00 O ATOM 415 OE2 GLU C 116 15.701 7.500 -24.738 1.00 0.00 O1- ATOM 0 H GLU C 116 20.157 6.131 -25.406 1.00 0.00 H new ATOM 0 HA GLU C 116 20.289 8.186 -23.324 1.00 0.00 H new ATOM 0 HB2 GLU C 116 18.938 5.428 -23.592 1.00 0.00 H new ATOM 0 HB3 GLU C 116 18.514 6.637 -22.396 1.00 0.00 H new ATOM 0 HG2 GLU C 116 18.036 8.287 -24.290 1.00 0.00 H new ATOM 0 HG3 GLU C 116 18.370 7.015 -25.448 1.00 0.00 H new ATOM 422 N LEU C 117 21.821 5.343 -22.726 1.00 0.00 N ATOM 423 CA LEU C 117 22.876 4.788 -21.806 1.00 0.00 C ATOM 424 C LEU C 117 24.197 5.569 -21.966 1.00 0.00 C ATOM 425 O LEU C 117 24.861 5.889 -20.983 1.00 0.00 O ATOM 426 CB LEU C 117 23.101 3.321 -22.243 1.00 0.00 C ATOM 427 CG LEU C 117 21.825 2.473 -22.071 1.00 0.00 C ATOM 428 CD1 LEU C 117 22.113 1.038 -22.517 1.00 0.00 C ATOM 429 CD2 LEU C 117 21.405 2.449 -20.595 1.00 0.00 C ATOM 0 H LEU C 117 21.547 4.733 -23.496 1.00 0.00 H new ATOM 0 HA LEU C 117 22.562 4.865 -20.765 1.00 0.00 H new ATOM 0 HB2 LEU C 117 23.417 3.296 -23.286 1.00 0.00 H new ATOM 0 HB3 LEU C 117 23.909 2.886 -21.655 1.00 0.00 H new ATOM 0 HG LEU C 117 21.026 2.907 -22.672 1.00 0.00 H new ATOM 0 HD11 LEU C 117 21.214 0.433 -22.398 1.00 0.00 H new ATOM 0 HD12 LEU C 117 22.416 1.036 -23.564 1.00 0.00 H new ATOM 0 HD13 LEU C 117 22.915 0.621 -21.907 1.00 0.00 H new ATOM 0 HD21 LEU C 117 20.503 1.848 -20.483 1.00 0.00 H new ATOM 0 HD22 LEU C 117 22.206 2.016 -19.996 1.00 0.00 H new ATOM 0 HD23 LEU C 117 21.207 3.466 -20.256 1.00 0.00 H new ATOM 441 N LYS C 118 24.622 5.831 -23.195 1.00 0.00 N ATOM 442 CA LYS C 118 25.943 6.508 -23.384 1.00 0.00 C ATOM 443 C LYS C 118 25.935 7.956 -22.899 1.00 0.00 C ATOM 444 O LYS C 118 26.872 8.376 -22.242 1.00 0.00 O ATOM 445 CB LYS C 118 26.349 6.362 -24.881 1.00 0.00 C ATOM 446 CG LYS C 118 25.496 7.248 -25.817 1.00 0.00 C ATOM 447 CD LYS C 118 26.225 8.572 -26.086 1.00 0.00 C ATOM 448 CE LYS C 118 26.057 8.975 -27.569 1.00 0.00 C ATOM 449 NZ LYS C 118 25.078 10.098 -27.576 1.00 0.00 N1+ ATOM 0 H LYS C 118 24.116 5.607 -24.052 1.00 0.00 H new ATOM 0 HA LYS C 118 26.697 6.025 -22.763 1.00 0.00 H new ATOM 0 HB2 LYS C 118 27.400 6.625 -24.996 1.00 0.00 H new ATOM 0 HB3 LYS C 118 26.247 5.319 -25.181 1.00 0.00 H new ATOM 0 HG2 LYS C 118 25.310 6.727 -26.756 1.00 0.00 H new ATOM 0 HG3 LYS C 118 24.524 7.443 -25.363 1.00 0.00 H new ATOM 0 HD2 LYS C 118 25.826 9.354 -25.440 1.00 0.00 H new ATOM 0 HD3 LYS C 118 27.283 8.470 -25.846 1.00 0.00 H new ATOM 0 HE2 LYS C 118 27.009 9.284 -28.001 1.00 0.00 H new ATOM 0 HE3 LYS C 118 25.694 8.136 -28.163 1.00 0.00 H new ATOM 0 HZ1 LYS C 118 25.073 10.548 -28.513 1.00 0.00 H new ATOM 0 HZ2 LYS C 118 24.128 9.732 -27.363 1.00 0.00 H new ATOM 0 HZ3 LYS C 118 25.349 10.799 -26.857 1.00 0.00 H new ATOM 463 N ILE C 119 24.890 8.724 -23.164 1.00 0.00 N ATOM 464 CA ILE C 119 24.892 10.137 -22.642 1.00 0.00 C ATOM 465 C ILE C 119 24.928 10.116 -21.107 1.00 0.00 C ATOM 466 O ILE C 119 25.680 10.858 -20.497 1.00 0.00 O ATOM 467 CB ILE C 119 23.629 10.845 -23.197 1.00 0.00 C ATOM 468 CG1 ILE C 119 23.713 10.886 -24.730 1.00 0.00 C ATOM 469 CG2 ILE C 119 23.561 12.290 -22.673 1.00 0.00 C ATOM 470 CD1 ILE C 119 22.503 11.608 -25.316 1.00 0.00 C ATOM 0 H ILE C 119 24.067 8.446 -23.698 1.00 0.00 H new ATOM 0 HA ILE C 119 25.773 10.688 -22.970 1.00 0.00 H new ATOM 0 HB ILE C 119 22.743 10.298 -22.875 1.00 0.00 H new ATOM 0 HG12 ILE C 119 24.628 11.392 -25.036 1.00 0.00 H new ATOM 0 HG13 ILE C 119 23.763 9.871 -25.124 1.00 0.00 H new ATOM 0 HG21 ILE C 119 22.671 12.779 -23.068 1.00 0.00 H new ATOM 0 HG22 ILE C 119 23.516 12.280 -21.584 1.00 0.00 H new ATOM 0 HG23 ILE C 119 24.448 12.836 -22.995 1.00 0.00 H new ATOM 0 HD11 ILE C 119 22.582 11.626 -26.403 1.00 0.00 H new ATOM 0 HD12 ILE C 119 21.592 11.085 -25.027 1.00 0.00 H new ATOM 0 HD13 ILE C 119 22.470 12.630 -24.937 1.00 0.00 H new ATOM 482 N MET C 120 24.195 9.209 -20.474 1.00 0.00 N ATOM 483 CA MET C 120 24.284 9.098 -18.974 1.00 0.00 C ATOM 484 C MET C 120 25.737 8.760 -18.596 1.00 0.00 C ATOM 485 O MET C 120 26.301 9.333 -17.671 1.00 0.00 O ATOM 486 CB MET C 120 23.347 7.934 -18.592 1.00 0.00 C ATOM 487 CG MET C 120 23.170 7.881 -17.067 1.00 0.00 C ATOM 488 SD MET C 120 22.230 6.400 -16.635 1.00 0.00 S ATOM 489 CE MET C 120 23.638 5.327 -16.253 1.00 0.00 C ATOM 0 H MET C 120 23.554 8.556 -20.924 1.00 0.00 H new ATOM 0 HA MET C 120 24.001 10.017 -18.461 1.00 0.00 H new ATOM 0 HB2 MET C 120 22.378 8.063 -19.075 1.00 0.00 H new ATOM 0 HB3 MET C 120 23.759 6.991 -18.952 1.00 0.00 H new ATOM 0 HG2 MET C 120 24.143 7.866 -16.575 1.00 0.00 H new ATOM 0 HG3 MET C 120 22.650 8.773 -16.717 1.00 0.00 H new ATOM 0 HE1 MET C 120 23.275 4.343 -15.957 1.00 0.00 H new ATOM 0 HE2 MET C 120 24.272 5.231 -17.135 1.00 0.00 H new ATOM 0 HE3 MET C 120 24.216 5.761 -15.437 1.00 0.00 H new ATOM 499 N LEU C 121 26.367 7.870 -19.332 1.00 0.00 N ATOM 500 CA LEU C 121 27.802 7.533 -19.050 1.00 0.00 C ATOM 501 C LEU C 121 28.667 8.802 -19.275 1.00 0.00 C ATOM 502 O LEU C 121 29.546 9.116 -18.483 1.00 0.00 O ATOM 503 CB LEU C 121 28.149 6.442 -20.085 1.00 0.00 C ATOM 504 CG LEU C 121 29.464 5.758 -19.713 1.00 0.00 C ATOM 505 CD1 LEU C 121 29.230 4.819 -18.530 1.00 0.00 C ATOM 506 CD2 LEU C 121 29.977 4.944 -20.905 1.00 0.00 C ATOM 0 H LEU C 121 25.950 7.364 -20.113 1.00 0.00 H new ATOM 0 HA LEU C 121 27.979 7.192 -18.030 1.00 0.00 H new ATOM 0 HB2 LEU C 121 27.347 5.705 -20.129 1.00 0.00 H new ATOM 0 HB3 LEU C 121 28.230 6.885 -21.078 1.00 0.00 H new ATOM 0 HG LEU C 121 30.200 6.515 -19.444 1.00 0.00 H new ATOM 0 HD11 LEU C 121 30.167 4.330 -18.263 1.00 0.00 H new ATOM 0 HD12 LEU C 121 28.864 5.392 -17.678 1.00 0.00 H new ATOM 0 HD13 LEU C 121 28.492 4.065 -18.804 1.00 0.00 H new ATOM 0 HD21 LEU C 121 30.915 4.457 -20.637 1.00 0.00 H new ATOM 0 HD22 LEU C 121 29.240 4.188 -21.173 1.00 0.00 H new ATOM 0 HD23 LEU C 121 30.142 5.607 -21.754 1.00 0.00 H new ATOM 518 N GLN C 122 28.383 9.565 -20.322 1.00 0.00 N ATOM 519 CA GLN C 122 29.134 10.861 -20.559 1.00 0.00 C ATOM 520 C GLN C 122 28.865 11.842 -19.404 1.00 0.00 C ATOM 521 O GLN C 122 29.766 12.520 -18.954 1.00 0.00 O ATOM 522 CB GLN C 122 28.592 11.449 -21.881 1.00 0.00 C ATOM 523 CG GLN C 122 28.963 10.554 -23.071 1.00 0.00 C ATOM 524 CD GLN C 122 28.432 11.194 -24.356 1.00 0.00 C ATOM 525 OE1 GLN C 122 27.293 10.999 -24.724 1.00 0.00 O ATOM 526 NE2 GLN C 122 29.199 11.968 -25.052 1.00 0.00 N ATOM 0 H GLN C 122 27.669 9.349 -21.018 1.00 0.00 H new ATOM 0 HA GLN C 122 30.209 10.689 -20.613 1.00 0.00 H new ATOM 0 HB2 GLN C 122 27.508 11.551 -21.821 1.00 0.00 H new ATOM 0 HB3 GLN C 122 28.998 12.449 -22.032 1.00 0.00 H new ATOM 0 HG2 GLN C 122 30.045 10.433 -23.129 1.00 0.00 H new ATOM 0 HG3 GLN C 122 28.537 9.559 -22.942 1.00 0.00 H new ATOM 0 HE21 GLN C 122 30.159 12.139 -24.752 1.00 0.00 H new ATOM 0 HE22 GLN C 122 28.844 12.408 -25.901 1.00 0.00 H new ATOM 535 N ALA C 123 27.643 11.868 -18.886 1.00 0.00 N ATOM 536 CA ALA C 123 27.312 12.771 -17.709 1.00 0.00 C ATOM 537 C ALA C 123 28.095 12.291 -16.506 1.00 0.00 C ATOM 538 O ALA C 123 28.610 13.068 -15.735 1.00 0.00 O ATOM 539 CB ALA C 123 25.807 12.587 -17.454 1.00 0.00 C ATOM 0 H ALA C 123 26.863 11.306 -19.225 1.00 0.00 H new ATOM 0 HA ALA C 123 27.559 13.816 -17.898 1.00 0.00 H new ATOM 0 HB1 ALA C 123 25.501 13.212 -16.615 1.00 0.00 H new ATOM 0 HB2 ALA C 123 25.249 12.876 -18.345 1.00 0.00 H new ATOM 0 HB3 ALA C 123 25.602 11.542 -17.221 1.00 0.00 H new ATOM 545 N THR C 124 28.220 11.000 -16.387 1.00 0.00 N ATOM 546 CA THR C 124 29.019 10.383 -15.303 1.00 0.00 C ATOM 547 C THR C 124 30.513 10.811 -15.439 1.00 0.00 C ATOM 548 O THR C 124 31.231 10.858 -14.461 1.00 0.00 O ATOM 549 CB THR C 124 28.831 8.856 -15.516 1.00 0.00 C ATOM 550 OG1 THR C 124 27.429 8.528 -15.501 1.00 0.00 O ATOM 551 CG2 THR C 124 29.511 8.089 -14.408 1.00 0.00 C ATOM 0 H THR C 124 27.785 10.328 -17.020 1.00 0.00 H new ATOM 0 HA THR C 124 28.708 10.688 -14.304 1.00 0.00 H new ATOM 0 HB THR C 124 29.269 8.587 -16.477 1.00 0.00 H new ATOM 0 HG1 THR C 124 27.066 8.602 -16.408 1.00 0.00 H new ATOM 0 HG21 THR C 124 29.373 7.020 -14.568 1.00 0.00 H new ATOM 0 HG22 THR C 124 30.576 8.321 -14.406 1.00 0.00 H new ATOM 0 HG23 THR C 124 29.076 8.372 -13.449 1.00 0.00 H new ATOM 559 N GLY C 125 30.991 11.057 -16.651 1.00 0.00 N ATOM 560 CA GLY C 125 32.442 11.401 -16.846 1.00 0.00 C ATOM 561 C GLY C 125 33.234 10.102 -16.891 1.00 0.00 C ATOM 562 O GLY C 125 34.282 9.984 -16.282 1.00 0.00 O ATOM 0 H GLY C 125 30.436 11.033 -17.507 1.00 0.00 H new ATOM 0 HA2 GLY C 125 32.579 11.963 -17.770 1.00 0.00 H new ATOM 0 HA3 GLY C 125 32.796 12.034 -16.033 1.00 0.00 H new ATOM 566 N GLU C 126 32.710 9.109 -17.572 1.00 0.00 N ATOM 567 CA GLU C 126 33.388 7.784 -17.650 1.00 0.00 C ATOM 568 C GLU C 126 34.331 7.748 -18.872 1.00 0.00 C ATOM 569 O GLU C 126 34.470 8.728 -19.603 1.00 0.00 O ATOM 570 CB GLU C 126 32.247 6.769 -17.842 1.00 0.00 C ATOM 571 CG GLU C 126 32.651 5.412 -17.244 1.00 0.00 C ATOM 572 CD GLU C 126 32.542 4.333 -18.315 1.00 0.00 C ATOM 573 OE1 GLU C 126 33.141 4.495 -19.361 1.00 0.00 O ATOM 574 OE2 GLU C 126 31.879 3.372 -18.072 1.00 0.00 O1- ATOM 0 H GLU C 126 31.829 9.166 -18.082 1.00 0.00 H new ATOM 0 HA GLU C 126 33.988 7.573 -16.765 1.00 0.00 H new ATOM 0 HB2 GLU C 126 31.339 7.133 -17.361 1.00 0.00 H new ATOM 0 HB3 GLU C 126 32.022 6.657 -18.903 1.00 0.00 H new ATOM 0 HG2 GLU C 126 33.671 5.460 -16.863 1.00 0.00 H new ATOM 0 HG3 GLU C 126 32.006 5.168 -16.400 1.00 0.00 H new ATOM 581 N THR C 127 34.927 6.610 -19.117 1.00 0.00 N ATOM 582 CA THR C 127 35.795 6.405 -20.322 1.00 0.00 C ATOM 583 C THR C 127 34.923 6.601 -21.595 1.00 0.00 C ATOM 584 O THR C 127 35.399 7.089 -22.614 1.00 0.00 O ATOM 585 CB THR C 127 36.245 4.919 -20.226 1.00 0.00 C ATOM 586 OG1 THR C 127 36.672 4.620 -18.889 1.00 0.00 O ATOM 587 CG2 THR C 127 37.414 4.666 -21.184 1.00 0.00 C ATOM 0 H THR C 127 34.847 5.790 -18.516 1.00 0.00 H new ATOM 0 HA THR C 127 36.639 7.093 -20.369 1.00 0.00 H new ATOM 0 HB THR C 127 35.402 4.283 -20.494 1.00 0.00 H new ATOM 0 HG1 THR C 127 36.952 3.682 -18.837 1.00 0.00 H new ATOM 0 HG21 THR C 127 37.724 3.624 -21.112 1.00 0.00 H new ATOM 0 HG22 THR C 127 37.101 4.881 -22.205 1.00 0.00 H new ATOM 0 HG23 THR C 127 38.250 5.313 -20.917 1.00 0.00 H new ATOM 595 N ILE C 128 33.668 6.152 -21.549 1.00 0.00 N ATOM 596 CA ILE C 128 32.729 6.208 -22.732 1.00 0.00 C ATOM 597 C ILE C 128 33.316 5.331 -23.862 1.00 0.00 C ATOM 598 O ILE C 128 33.449 5.758 -25.004 1.00 0.00 O ATOM 599 CB ILE C 128 32.627 7.716 -23.182 1.00 0.00 C ATOM 600 CG1 ILE C 128 32.373 8.649 -21.979 1.00 0.00 C ATOM 601 CG2 ILE C 128 31.466 7.894 -24.175 1.00 0.00 C ATOM 602 CD1 ILE C 128 31.158 8.175 -21.184 1.00 0.00 C ATOM 0 H ILE C 128 33.252 5.739 -20.714 1.00 0.00 H new ATOM 0 HA ILE C 128 31.735 5.834 -22.484 1.00 0.00 H new ATOM 0 HB ILE C 128 33.577 7.978 -23.648 1.00 0.00 H new ATOM 0 HG12 ILE C 128 33.252 8.669 -21.335 1.00 0.00 H new ATOM 0 HG13 ILE C 128 32.211 9.668 -22.329 1.00 0.00 H new ATOM 0 HG21 ILE C 128 31.404 8.939 -24.479 1.00 0.00 H new ATOM 0 HG22 ILE C 128 31.638 7.270 -25.052 1.00 0.00 H new ATOM 0 HG23 ILE C 128 30.531 7.599 -23.698 1.00 0.00 H new ATOM 0 HD11 ILE C 128 30.993 8.844 -20.339 1.00 0.00 H new ATOM 0 HD12 ILE C 128 30.278 8.179 -21.827 1.00 0.00 H new ATOM 0 HD13 ILE C 128 31.335 7.164 -20.817 1.00 0.00 H new ATOM 614 N THR C 129 33.654 4.110 -23.557 1.00 0.00 N ATOM 615 CA THR C 129 34.205 3.203 -24.605 1.00 0.00 C ATOM 616 C THR C 129 32.992 2.593 -25.336 1.00 0.00 C ATOM 617 O THR C 129 32.251 1.818 -24.758 1.00 0.00 O ATOM 618 CB THR C 129 34.988 2.097 -23.807 1.00 0.00 C ATOM 619 OG1 THR C 129 35.076 2.441 -22.401 1.00 0.00 O ATOM 620 CG2 THR C 129 36.406 1.966 -24.356 1.00 0.00 C ATOM 0 H THR C 129 33.573 3.699 -22.627 1.00 0.00 H new ATOM 0 HA THR C 129 34.856 3.688 -25.333 1.00 0.00 H new ATOM 0 HB THR C 129 34.447 1.157 -23.920 1.00 0.00 H new ATOM 0 HG1 THR C 129 35.565 1.739 -21.923 1.00 0.00 H new ATOM 0 HG21 THR C 129 36.943 1.198 -23.799 1.00 0.00 H new ATOM 0 HG22 THR C 129 36.364 1.687 -25.409 1.00 0.00 H new ATOM 0 HG23 THR C 129 36.925 2.919 -24.253 1.00 0.00 H new ATOM 628 N GLU C 130 32.743 2.966 -26.576 1.00 0.00 N ATOM 629 CA GLU C 130 31.528 2.401 -27.282 1.00 0.00 C ATOM 630 C GLU C 130 31.644 0.876 -27.426 1.00 0.00 C ATOM 631 O GLU C 130 30.665 0.163 -27.263 1.00 0.00 O ATOM 632 CB GLU C 130 31.429 3.103 -28.637 1.00 0.00 C ATOM 633 CG GLU C 130 31.071 4.592 -28.412 1.00 0.00 C ATOM 634 CD GLU C 130 30.852 5.314 -29.744 1.00 0.00 C ATOM 635 OE1 GLU C 130 31.367 4.863 -30.752 1.00 0.00 O ATOM 636 OE2 GLU C 130 30.140 6.299 -29.736 1.00 0.00 O1- ATOM 0 H GLU C 130 33.308 3.618 -27.121 1.00 0.00 H new ATOM 0 HA GLU C 130 30.619 2.581 -26.708 1.00 0.00 H new ATOM 0 HB2 GLU C 130 32.375 3.021 -29.173 1.00 0.00 H new ATOM 0 HB3 GLU C 130 30.670 2.623 -29.254 1.00 0.00 H new ATOM 0 HG2 GLU C 130 30.170 4.664 -27.803 1.00 0.00 H new ATOM 0 HG3 GLU C 130 31.871 5.082 -27.857 1.00 0.00 H new ATOM 643 N ASP C 131 32.847 0.374 -27.604 1.00 0.00 N ATOM 644 CA ASP C 131 33.073 -1.119 -27.612 1.00 0.00 C ATOM 645 C ASP C 131 32.658 -1.705 -26.242 1.00 0.00 C ATOM 646 O ASP C 131 31.978 -2.713 -26.175 1.00 0.00 O ATOM 647 CB ASP C 131 34.604 -1.304 -27.874 1.00 0.00 C ATOM 648 CG ASP C 131 35.441 -0.506 -26.873 1.00 0.00 C ATOM 649 OD1 ASP C 131 35.627 0.675 -27.108 1.00 0.00 O ATOM 650 OD2 ASP C 131 35.889 -1.063 -25.907 1.00 0.00 O1- ATOM 0 H ASP C 131 33.688 0.934 -27.745 1.00 0.00 H new ATOM 0 HA ASP C 131 32.485 -1.635 -28.371 1.00 0.00 H new ATOM 0 HB2 ASP C 131 34.861 -2.361 -27.805 1.00 0.00 H new ATOM 0 HB3 ASP C 131 34.843 -0.983 -28.888 1.00 0.00 H new ATOM 655 N ASP C 132 32.953 -1.014 -25.157 1.00 0.00 N ATOM 656 CA ASP C 132 32.441 -1.475 -23.819 1.00 0.00 C ATOM 657 C ASP C 132 30.906 -1.377 -23.820 1.00 0.00 C ATOM 658 O ASP C 132 30.200 -2.312 -23.448 1.00 0.00 O ATOM 659 CB ASP C 132 33.037 -0.503 -22.782 1.00 0.00 C ATOM 660 CG ASP C 132 32.560 -0.893 -21.399 1.00 0.00 C ATOM 661 OD1 ASP C 132 33.126 -1.797 -20.825 1.00 0.00 O ATOM 662 OD2 ASP C 132 31.641 -0.269 -20.931 1.00 0.00 O1- ATOM 0 H ASP C 132 33.517 -0.164 -25.140 1.00 0.00 H new ATOM 0 HA ASP C 132 32.720 -2.505 -23.596 1.00 0.00 H new ATOM 0 HB2 ASP C 132 34.126 -0.530 -22.825 1.00 0.00 H new ATOM 0 HB3 ASP C 132 32.734 0.519 -23.009 1.00 0.00 H new ATOM 667 N ILE C 133 30.380 -0.271 -24.313 1.00 0.00 N ATOM 668 CA ILE C 133 28.892 -0.092 -24.383 1.00 0.00 C ATOM 669 C ILE C 133 28.243 -1.224 -25.199 1.00 0.00 C ATOM 670 O ILE C 133 27.194 -1.741 -24.802 1.00 0.00 O ATOM 671 CB ILE C 133 28.650 1.300 -25.044 1.00 0.00 C ATOM 672 CG1 ILE C 133 29.256 2.411 -24.167 1.00 0.00 C ATOM 673 CG2 ILE C 133 27.146 1.567 -25.190 1.00 0.00 C ATOM 674 CD1 ILE C 133 29.126 3.766 -24.873 1.00 0.00 C ATOM 0 H ILE C 133 30.923 0.515 -24.670 1.00 0.00 H new ATOM 0 HA ILE C 133 28.439 -0.133 -23.392 1.00 0.00 H new ATOM 0 HB ILE C 133 29.122 1.297 -26.027 1.00 0.00 H new ATOM 0 HG12 ILE C 133 28.747 2.443 -23.204 1.00 0.00 H new ATOM 0 HG13 ILE C 133 30.305 2.195 -23.966 1.00 0.00 H new ATOM 0 HG21 ILE C 133 26.993 2.542 -25.653 1.00 0.00 H new ATOM 0 HG22 ILE C 133 26.698 0.794 -25.815 1.00 0.00 H new ATOM 0 HG23 ILE C 133 26.677 1.555 -24.206 1.00 0.00 H new ATOM 0 HD11 ILE C 133 29.557 4.546 -24.246 1.00 0.00 H new ATOM 0 HD12 ILE C 133 29.655 3.732 -25.825 1.00 0.00 H new ATOM 0 HD13 ILE C 133 28.073 3.984 -25.051 1.00 0.00 H new ATOM 686 N GLU C 134 28.825 -1.638 -26.319 1.00 0.00 N ATOM 687 CA GLU C 134 28.166 -2.751 -27.066 1.00 0.00 C ATOM 688 C GLU C 134 28.238 -4.051 -26.244 1.00 0.00 C ATOM 689 O GLU C 134 27.260 -4.775 -26.173 1.00 0.00 O ATOM 690 CB GLU C 134 28.830 -2.876 -28.467 1.00 0.00 C ATOM 691 CG GLU C 134 30.254 -3.431 -28.392 1.00 0.00 C ATOM 692 CD GLU C 134 30.683 -3.852 -29.777 1.00 0.00 C ATOM 693 OE1 GLU C 134 31.168 -3.027 -30.504 1.00 0.00 O ATOM 694 OE2 GLU C 134 30.484 -5.008 -30.094 1.00 0.00 O1- ATOM 0 H GLU C 134 29.685 -1.267 -26.722 1.00 0.00 H new ATOM 0 HA GLU C 134 27.107 -2.543 -27.220 1.00 0.00 H new ATOM 0 HB2 GLU C 134 28.223 -3.526 -29.097 1.00 0.00 H new ATOM 0 HB3 GLU C 134 28.850 -1.897 -28.945 1.00 0.00 H new ATOM 0 HG2 GLU C 134 30.934 -2.675 -27.999 1.00 0.00 H new ATOM 0 HG3 GLU C 134 30.293 -4.280 -27.710 1.00 0.00 H new ATOM 701 N GLU C 135 29.327 -4.302 -25.523 1.00 0.00 N ATOM 702 CA GLU C 135 29.345 -5.518 -24.615 1.00 0.00 C ATOM 703 C GLU C 135 28.286 -5.346 -23.550 1.00 0.00 C ATOM 704 O GLU C 135 27.520 -6.262 -23.284 1.00 0.00 O ATOM 705 CB GLU C 135 30.719 -5.535 -23.953 1.00 0.00 C ATOM 706 CG GLU C 135 31.781 -5.898 -24.980 1.00 0.00 C ATOM 707 CD GLU C 135 31.542 -7.302 -25.505 1.00 0.00 C ATOM 708 OE1 GLU C 135 31.586 -8.217 -24.719 1.00 0.00 O ATOM 709 OE2 GLU C 135 31.278 -7.448 -26.669 1.00 0.00 O1- ATOM 0 H GLU C 135 30.177 -3.738 -25.523 1.00 0.00 H new ATOM 0 HA GLU C 135 29.153 -6.439 -25.165 1.00 0.00 H new ATOM 0 HB2 GLU C 135 30.937 -4.558 -23.521 1.00 0.00 H new ATOM 0 HB3 GLU C 135 30.730 -6.255 -23.135 1.00 0.00 H new ATOM 0 HG2 GLU C 135 31.760 -5.185 -25.804 1.00 0.00 H new ATOM 0 HG3 GLU C 135 32.771 -5.834 -24.529 1.00 0.00 H new ATOM 716 N LEU C 136 28.168 -4.155 -22.988 1.00 0.00 N ATOM 717 CA LEU C 136 27.079 -3.941 -21.994 1.00 0.00 C ATOM 718 C LEU C 136 25.725 -4.158 -22.675 1.00 0.00 C ATOM 719 O LEU C 136 24.834 -4.763 -22.105 1.00 0.00 O ATOM 720 CB LEU C 136 27.208 -2.506 -21.457 1.00 0.00 C ATOM 721 CG LEU C 136 28.124 -2.481 -20.217 1.00 0.00 C ATOM 722 CD1 LEU C 136 29.582 -2.699 -20.609 1.00 0.00 C ATOM 723 CD2 LEU C 136 28.003 -1.128 -19.520 1.00 0.00 C ATOM 0 H LEU C 136 28.765 -3.350 -23.174 1.00 0.00 H new ATOM 0 HA LEU C 136 27.155 -4.645 -21.165 1.00 0.00 H new ATOM 0 HB2 LEU C 136 27.614 -1.855 -22.231 1.00 0.00 H new ATOM 0 HB3 LEU C 136 26.223 -2.117 -21.198 1.00 0.00 H new ATOM 0 HG LEU C 136 27.812 -3.284 -19.549 1.00 0.00 H new ATOM 0 HD11 LEU C 136 30.206 -2.677 -19.716 1.00 0.00 H new ATOM 0 HD12 LEU C 136 29.686 -3.666 -21.100 1.00 0.00 H new ATOM 0 HD13 LEU C 136 29.897 -1.910 -21.292 1.00 0.00 H new ATOM 0 HD21 LEU C 136 28.651 -1.111 -18.644 1.00 0.00 H new ATOM 0 HD22 LEU C 136 28.302 -0.337 -20.207 1.00 0.00 H new ATOM 0 HD23 LEU C 136 26.970 -0.969 -19.211 1.00 0.00 H new ATOM 735 N MET C 137 25.578 -3.722 -23.920 1.00 0.00 N ATOM 736 CA MET C 137 24.296 -3.983 -24.650 1.00 0.00 C ATOM 737 C MET C 137 24.041 -5.489 -24.724 1.00 0.00 C ATOM 738 O MET C 137 22.935 -5.934 -24.540 1.00 0.00 O ATOM 739 CB MET C 137 24.480 -3.388 -26.077 1.00 0.00 C ATOM 740 CG MET C 137 23.524 -4.082 -27.079 1.00 0.00 C ATOM 741 SD MET C 137 22.927 -2.896 -28.299 1.00 0.00 S ATOM 742 CE MET C 137 21.440 -2.390 -27.395 1.00 0.00 C ATOM 0 H MET C 137 26.283 -3.206 -24.446 1.00 0.00 H new ATOM 0 HA MET C 137 23.443 -3.530 -24.145 1.00 0.00 H new ATOM 0 HB2 MET C 137 24.283 -2.316 -26.059 1.00 0.00 H new ATOM 0 HB3 MET C 137 25.513 -3.517 -26.401 1.00 0.00 H new ATOM 0 HG2 MET C 137 24.042 -4.899 -27.580 1.00 0.00 H new ATOM 0 HG3 MET C 137 22.681 -4.519 -26.544 1.00 0.00 H new ATOM 0 HE1 MET C 137 21.199 -1.356 -27.641 1.00 0.00 H new ATOM 0 HE2 MET C 137 20.607 -3.034 -27.676 1.00 0.00 H new ATOM 0 HE3 MET C 137 21.619 -2.476 -26.323 1.00 0.00 H new ATOM 752 N LYS C 138 25.051 -6.257 -25.008 1.00 0.00 N ATOM 753 CA LYS C 138 24.871 -7.753 -25.127 1.00 0.00 C ATOM 754 C LYS C 138 24.406 -8.328 -23.772 1.00 0.00 C ATOM 755 O LYS C 138 23.486 -9.137 -23.716 1.00 0.00 O ATOM 756 CB LYS C 138 26.264 -8.258 -25.546 1.00 0.00 C ATOM 757 CG LYS C 138 26.585 -7.614 -26.916 1.00 0.00 C ATOM 758 CD LYS C 138 27.994 -7.937 -27.392 1.00 0.00 C ATOM 759 CE LYS C 138 28.340 -6.914 -28.500 1.00 0.00 C ATOM 760 NZ LYS C 138 29.799 -7.049 -28.742 1.00 0.00 N1+ ATOM 0 H LYS C 138 26.002 -5.925 -25.166 1.00 0.00 H new ATOM 0 HA LYS C 138 24.111 -8.057 -25.847 1.00 0.00 H new ATOM 0 HB2 LYS C 138 27.014 -7.981 -24.805 1.00 0.00 H new ATOM 0 HB3 LYS C 138 26.274 -9.345 -25.619 1.00 0.00 H new ATOM 0 HG2 LYS C 138 25.865 -7.963 -27.656 1.00 0.00 H new ATOM 0 HG3 LYS C 138 26.468 -6.533 -26.843 1.00 0.00 H new ATOM 0 HD2 LYS C 138 28.705 -7.869 -26.568 1.00 0.00 H new ATOM 0 HD3 LYS C 138 28.048 -8.956 -27.776 1.00 0.00 H new ATOM 0 HE2 LYS C 138 27.774 -7.117 -29.409 1.00 0.00 H new ATOM 0 HE3 LYS C 138 28.089 -5.901 -28.187 1.00 0.00 H new ATOM 0 HZ1 LYS C 138 30.113 -6.303 -29.395 1.00 0.00 H new ATOM 0 HZ2 LYS C 138 30.310 -6.959 -27.841 1.00 0.00 H new ATOM 0 HZ3 LYS C 138 29.997 -7.980 -29.160 1.00 0.00 H new ATOM 774 N ASP C 139 24.972 -7.860 -22.673 1.00 0.00 N ATOM 775 CA ASP C 139 24.457 -8.311 -21.330 1.00 0.00 C ATOM 776 C ASP C 139 23.063 -7.716 -21.082 1.00 0.00 C ATOM 777 O ASP C 139 22.192 -8.360 -20.529 1.00 0.00 O ATOM 778 CB ASP C 139 25.442 -7.780 -20.276 1.00 0.00 C ATOM 779 CG ASP C 139 25.101 -8.382 -18.914 1.00 0.00 C ATOM 780 OD1 ASP C 139 24.824 -9.579 -18.846 1.00 0.00 O ATOM 781 OD2 ASP C 139 25.104 -7.649 -17.951 1.00 0.00 O1- ATOM 0 H ASP C 139 25.750 -7.201 -22.647 1.00 0.00 H new ATOM 0 HA ASP C 139 24.378 -9.397 -21.284 1.00 0.00 H new ATOM 0 HB2 ASP C 139 26.464 -8.038 -20.554 1.00 0.00 H new ATOM 0 HB3 ASP C 139 25.390 -6.692 -20.229 1.00 0.00 H new ATOM 786 N GLY C 140 22.872 -6.469 -21.417 1.00 0.00 N ATOM 787 CA GLY C 140 21.572 -5.787 -21.138 1.00 0.00 C ATOM 788 C GLY C 140 20.448 -6.238 -22.071 1.00 0.00 C ATOM 789 O GLY C 140 19.294 -6.248 -21.675 1.00 0.00 O ATOM 0 H GLY C 140 23.570 -5.885 -21.878 1.00 0.00 H new ATOM 0 HA2 GLY C 140 21.280 -5.982 -20.106 1.00 0.00 H new ATOM 0 HA3 GLY C 140 21.706 -4.709 -21.234 1.00 0.00 H new ATOM 793 N ASP C 141 20.728 -6.468 -23.334 1.00 0.00 N ATOM 794 CA ASP C 141 19.611 -6.748 -24.293 1.00 0.00 C ATOM 795 C ASP C 141 19.465 -8.221 -24.595 1.00 0.00 C ATOM 796 O ASP C 141 20.335 -8.829 -25.188 1.00 0.00 O ATOM 797 CB ASP C 141 19.964 -5.997 -25.575 1.00 0.00 C ATOM 798 CG ASP C 141 18.704 -5.499 -26.173 1.00 0.00 C ATOM 799 OD1 ASP C 141 18.194 -4.551 -25.671 1.00 0.00 O1- ATOM 800 OD2 ASP C 141 18.204 -6.079 -27.088 1.00 0.00 O ATOM 0 H ASP C 141 21.665 -6.474 -23.736 1.00 0.00 H new ATOM 0 HA ASP C 141 18.662 -6.428 -23.862 1.00 0.00 H new ATOM 0 HB2 ASP C 141 20.637 -5.168 -25.358 1.00 0.00 H new ATOM 0 HB3 ASP C 141 20.483 -6.655 -26.272 1.00 0.00 H new ATOM 805 N LYS C 142 18.349 -8.793 -24.262 1.00 0.00 N ATOM 806 CA LYS C 142 18.112 -10.226 -24.637 1.00 0.00 C ATOM 807 C LYS C 142 17.243 -10.329 -25.913 1.00 0.00 C ATOM 808 O LYS C 142 17.115 -11.401 -26.480 1.00 0.00 O ATOM 809 CB LYS C 142 17.403 -10.861 -23.432 1.00 0.00 C ATOM 810 CG LYS C 142 18.267 -10.688 -22.166 1.00 0.00 C ATOM 811 CD LYS C 142 19.631 -11.399 -22.335 1.00 0.00 C ATOM 812 CE LYS C 142 20.779 -10.416 -21.983 1.00 0.00 C ATOM 813 NZ LYS C 142 20.876 -10.424 -20.492 1.00 0.00 N1+ ATOM 0 H LYS C 142 17.590 -8.343 -23.750 1.00 0.00 H new ATOM 0 HA LYS C 142 19.047 -10.739 -24.864 1.00 0.00 H new ATOM 0 HB2 LYS C 142 16.429 -10.395 -23.285 1.00 0.00 H new ATOM 0 HB3 LYS C 142 17.225 -11.920 -23.620 1.00 0.00 H new ATOM 0 HG2 LYS C 142 18.426 -9.628 -21.970 1.00 0.00 H new ATOM 0 HG3 LYS C 142 17.742 -11.097 -21.303 1.00 0.00 H new ATOM 0 HD2 LYS C 142 19.678 -12.275 -21.688 1.00 0.00 H new ATOM 0 HD3 LYS C 142 19.743 -11.753 -23.360 1.00 0.00 H new ATOM 0 HE2 LYS C 142 21.718 -10.732 -22.438 1.00 0.00 H new ATOM 0 HE3 LYS C 142 20.565 -9.414 -22.356 1.00 0.00 H new ATOM 0 HZ1 LYS C 142 21.369 -9.566 -20.172 1.00 0.00 H new ATOM 0 HZ2 LYS C 142 19.920 -10.448 -20.082 1.00 0.00 H new ATOM 0 HZ3 LYS C 142 21.406 -11.264 -20.183 1.00 0.00 H new ATOM 827 N ASN C 143 16.618 -9.245 -26.356 1.00 0.00 N ATOM 828 CA ASN C 143 15.744 -9.336 -27.590 1.00 0.00 C ATOM 829 C ASN C 143 16.462 -8.835 -28.856 1.00 0.00 C ATOM 830 O ASN C 143 15.851 -8.754 -29.906 1.00 0.00 O ATOM 831 CB ASN C 143 14.498 -8.468 -27.300 1.00 0.00 C ATOM 832 CG ASN C 143 13.701 -9.063 -26.128 1.00 0.00 C ATOM 833 OD1 ASN C 143 13.676 -10.274 -25.942 1.00 0.00 O ATOM 834 ND2 ASN C 143 13.049 -8.282 -25.329 1.00 0.00 N ATOM 0 H ASN C 143 16.673 -8.321 -25.927 1.00 0.00 H new ATOM 0 HA ASN C 143 15.483 -10.376 -27.787 1.00 0.00 H new ATOM 0 HB2 ASN C 143 14.803 -7.449 -27.063 1.00 0.00 H new ATOM 0 HB3 ASN C 143 13.868 -8.414 -28.188 1.00 0.00 H new ATOM 0 HD21 ASN C 143 12.519 -8.675 -24.551 1.00 0.00 H new ATOM 0 HD22 ASN C 143 13.065 -7.273 -25.477 1.00 0.00 H new ATOM 841 N ASN C 144 17.738 -8.444 -28.763 1.00 0.00 N ATOM 842 CA ASN C 144 18.496 -7.893 -29.973 1.00 0.00 C ATOM 843 C ASN C 144 17.671 -6.744 -30.614 1.00 0.00 C ATOM 844 O ASN C 144 17.542 -6.648 -31.830 1.00 0.00 O ATOM 845 CB ASN C 144 18.619 -9.073 -30.960 1.00 0.00 C ATOM 846 CG ASN C 144 19.717 -8.779 -31.990 1.00 0.00 C ATOM 847 OD1 ASN C 144 20.874 -9.070 -31.762 1.00 0.00 O ATOM 848 ND2 ASN C 144 19.414 -8.190 -33.103 1.00 0.00 N ATOM 0 H ASN C 144 18.285 -8.483 -27.903 1.00 0.00 H new ATOM 0 HA ASN C 144 19.474 -7.495 -29.703 1.00 0.00 H new ATOM 0 HB2 ASN C 144 18.853 -9.989 -30.418 1.00 0.00 H new ATOM 0 HB3 ASN C 144 17.667 -9.236 -31.466 1.00 0.00 H new ATOM 0 HD21 ASN C 144 20.145 -7.974 -33.781 1.00 0.00 H new ATOM 0 HD22 ASN C 144 18.445 -7.943 -33.302 1.00 0.00 H new ATOM 855 N ASP C 145 17.087 -5.900 -29.799 1.00 0.00 N ATOM 856 CA ASP C 145 16.215 -4.770 -30.329 1.00 0.00 C ATOM 857 C ASP C 145 16.984 -3.415 -30.393 1.00 0.00 C ATOM 858 O ASP C 145 16.460 -2.435 -30.913 1.00 0.00 O ATOM 859 CB ASP C 145 15.002 -4.698 -29.327 1.00 0.00 C ATOM 860 CG ASP C 145 15.456 -4.396 -27.902 1.00 0.00 C ATOM 861 OD1 ASP C 145 16.485 -3.923 -27.716 1.00 0.00 O ATOM 862 OD2 ASP C 145 14.800 -4.717 -26.985 1.00 0.00 O1- ATOM 0 H ASP C 145 17.169 -5.934 -28.783 1.00 0.00 H new ATOM 0 HA ASP C 145 15.894 -4.957 -31.354 1.00 0.00 H new ATOM 0 HB2 ASP C 145 14.305 -3.928 -29.656 1.00 0.00 H new ATOM 0 HB3 ASP C 145 14.462 -5.645 -29.343 1.00 0.00 H new ATOM 867 N GLY C 146 18.197 -3.343 -29.862 1.00 0.00 N ATOM 868 CA GLY C 146 18.989 -2.054 -29.904 1.00 0.00 C ATOM 869 C GLY C 146 18.755 -1.172 -28.644 1.00 0.00 C ATOM 870 O GLY C 146 19.393 -0.143 -28.488 1.00 0.00 O ATOM 0 H GLY C 146 18.671 -4.121 -29.402 1.00 0.00 H new ATOM 0 HA2 GLY C 146 20.051 -2.286 -29.990 1.00 0.00 H new ATOM 0 HA3 GLY C 146 18.713 -1.490 -30.795 1.00 0.00 H new ATOM 874 N ARG C 147 17.870 -1.562 -27.745 1.00 0.00 N ATOM 875 CA ARG C 147 17.598 -0.734 -26.504 1.00 0.00 C ATOM 876 C ARG C 147 17.097 -1.616 -25.350 1.00 0.00 C ATOM 877 O ARG C 147 16.476 -2.670 -25.562 1.00 0.00 O ATOM 878 CB ARG C 147 16.550 0.314 -26.936 1.00 0.00 C ATOM 879 CG ARG C 147 15.384 -0.346 -27.685 1.00 0.00 C ATOM 880 CD ARG C 147 14.725 0.707 -28.587 1.00 0.00 C ATOM 881 NE ARG C 147 14.144 -0.067 -29.717 1.00 0.00 N ATOM 882 CZ ARG C 147 13.087 0.387 -30.325 1.00 0.00 C ATOM 883 NH1 ARG C 147 11.902 0.103 -29.853 1.00 0.00 N ATOM 884 NH2 ARG C 147 13.227 1.146 -31.376 1.00 0.00 N1+ ATOM 0 H ARG C 147 17.321 -2.419 -27.814 1.00 0.00 H new ATOM 0 HA ARG C 147 18.499 -0.252 -26.125 1.00 0.00 H new ATOM 0 HB2 ARG C 147 16.172 0.838 -26.058 1.00 0.00 H new ATOM 0 HB3 ARG C 147 17.020 1.061 -27.575 1.00 0.00 H new ATOM 0 HG2 ARG C 147 15.743 -1.184 -28.282 1.00 0.00 H new ATOM 0 HG3 ARG C 147 14.658 -0.747 -26.978 1.00 0.00 H new ATOM 0 HD2 ARG C 147 13.955 1.261 -28.050 1.00 0.00 H new ATOM 0 HD3 ARG C 147 15.454 1.436 -28.941 1.00 0.00 H new ATOM 0 HE ARG C 147 14.570 -0.945 -30.012 1.00 0.00 H new ATOM 0 HH11 ARG C 147 11.811 -0.470 -29.014 1.00 0.00 H new ATOM 0 HH12 ARG C 147 11.068 0.455 -30.323 1.00 0.00 H new ATOM 0 HH21 ARG C 147 14.160 1.380 -31.716 1.00 0.00 H new ATOM 0 HH22 ARG C 147 12.404 1.506 -31.858 1.00 0.00 H new ATOM 898 N ILE C 148 17.327 -1.221 -24.145 1.00 0.00 N ATOM 899 CA ILE C 148 16.917 -2.080 -23.004 1.00 0.00 C ATOM 900 C ILE C 148 15.459 -1.794 -22.628 1.00 0.00 C ATOM 901 O ILE C 148 15.092 -0.670 -22.313 1.00 0.00 O ATOM 902 CB ILE C 148 17.877 -1.710 -21.832 1.00 0.00 C ATOM 903 CG1 ILE C 148 19.360 -1.776 -22.282 1.00 0.00 C ATOM 904 CG2 ILE C 148 17.685 -2.705 -20.677 1.00 0.00 C ATOM 905 CD1 ILE C 148 19.663 -3.140 -22.912 1.00 0.00 C ATOM 0 H ILE C 148 17.780 -0.343 -23.892 1.00 0.00 H new ATOM 0 HA ILE C 148 16.980 -3.141 -23.246 1.00 0.00 H new ATOM 0 HB ILE C 148 17.641 -0.694 -21.514 1.00 0.00 H new ATOM 0 HG12 ILE C 148 19.565 -0.982 -23.000 1.00 0.00 H new ATOM 0 HG13 ILE C 148 20.015 -1.609 -21.427 1.00 0.00 H new ATOM 0 HG21 ILE C 148 18.356 -2.446 -19.858 1.00 0.00 H new ATOM 0 HG22 ILE C 148 16.653 -2.662 -20.328 1.00 0.00 H new ATOM 0 HG23 ILE C 148 17.909 -3.714 -21.025 1.00 0.00 H new ATOM 0 HD11 ILE C 148 20.707 -3.173 -23.223 1.00 0.00 H new ATOM 0 HD12 ILE C 148 19.477 -3.927 -22.182 1.00 0.00 H new ATOM 0 HD13 ILE C 148 19.021 -3.291 -23.780 1.00 0.00 H new ATOM 917 N ASP C 149 14.667 -2.827 -22.596 1.00 0.00 N ATOM 918 CA ASP C 149 13.238 -2.754 -22.140 1.00 0.00 C ATOM 919 C ASP C 149 13.221 -3.115 -20.661 1.00 0.00 C ATOM 920 O ASP C 149 14.181 -3.695 -20.169 1.00 0.00 O ATOM 921 CB ASP C 149 12.520 -3.850 -22.932 1.00 0.00 C ATOM 922 CG ASP C 149 11.076 -3.926 -22.492 1.00 0.00 C ATOM 923 OD1 ASP C 149 10.326 -3.045 -22.838 1.00 0.00 O1- ATOM 924 OD2 ASP C 149 10.751 -4.860 -21.787 1.00 0.00 O ATOM 0 H ASP C 149 14.959 -3.763 -22.879 1.00 0.00 H new ATOM 0 HA ASP C 149 12.778 -1.777 -22.287 1.00 0.00 H new ATOM 0 HB2 ASP C 149 12.575 -3.637 -24.000 1.00 0.00 H new ATOM 0 HB3 ASP C 149 13.011 -4.810 -22.772 1.00 0.00 H new ATOM 929 N TYR C 150 12.181 -2.781 -19.928 1.00 0.00 N ATOM 930 CA TYR C 150 12.185 -3.134 -18.444 1.00 0.00 C ATOM 931 C TYR C 150 12.395 -4.613 -18.249 1.00 0.00 C ATOM 932 O TYR C 150 13.074 -5.017 -17.327 1.00 0.00 O ATOM 933 CB TYR C 150 10.846 -2.716 -17.767 1.00 0.00 C ATOM 934 CG TYR C 150 9.689 -2.588 -18.720 1.00 0.00 C ATOM 935 CD1 TYR C 150 8.979 -3.714 -19.136 1.00 0.00 C ATOM 936 CD2 TYR C 150 9.330 -1.330 -19.176 1.00 0.00 C ATOM 937 CE1 TYR C 150 7.899 -3.570 -20.001 1.00 0.00 C ATOM 938 CE2 TYR C 150 8.260 -1.178 -20.030 1.00 0.00 C ATOM 939 CZ TYR C 150 7.537 -2.306 -20.457 1.00 0.00 C ATOM 940 OH TYR C 150 6.449 -2.169 -21.310 1.00 0.00 O ATOM 0 H TYR C 150 11.350 -2.296 -20.266 1.00 0.00 H new ATOM 0 HA TYR C 150 13.006 -2.587 -17.980 1.00 0.00 H new ATOM 0 HB2 TYR C 150 10.593 -3.451 -17.002 1.00 0.00 H new ATOM 0 HB3 TYR C 150 10.991 -1.763 -17.258 1.00 0.00 H new ATOM 0 HD1 TYR C 150 9.267 -4.695 -18.788 1.00 0.00 H new ATOM 0 HD2 TYR C 150 9.892 -0.464 -18.860 1.00 0.00 H new ATOM 0 HE1 TYR C 150 7.342 -4.439 -20.319 1.00 0.00 H new ATOM 0 HE2 TYR C 150 7.977 -0.193 -20.371 1.00 0.00 H new ATOM 0 HH TYR C 150 6.327 -1.223 -21.535 1.00 0.00 H new ATOM 950 N ASP C 151 11.830 -5.424 -19.096 1.00 0.00 N ATOM 951 CA ASP C 151 12.023 -6.905 -18.964 1.00 0.00 C ATOM 952 C ASP C 151 13.517 -7.245 -19.157 1.00 0.00 C ATOM 953 O ASP C 151 14.124 -7.872 -18.305 1.00 0.00 O ATOM 954 CB ASP C 151 11.183 -7.459 -20.104 1.00 0.00 C ATOM 955 CG ASP C 151 11.003 -8.969 -20.018 1.00 0.00 C ATOM 956 OD1 ASP C 151 11.120 -9.525 -18.953 1.00 0.00 O1- ATOM 957 OD2 ASP C 151 10.693 -9.542 -21.026 1.00 0.00 O ATOM 0 H ASP C 151 11.242 -5.132 -19.876 1.00 0.00 H new ATOM 0 HA ASP C 151 11.735 -7.311 -17.994 1.00 0.00 H new ATOM 0 HB2 ASP C 151 10.204 -6.979 -20.096 1.00 0.00 H new ATOM 0 HB3 ASP C 151 11.654 -7.206 -21.054 1.00 0.00 H new ATOM 962 N GLU C 152 14.148 -6.697 -20.198 1.00 0.00 N ATOM 963 CA GLU C 152 15.656 -6.873 -20.368 1.00 0.00 C ATOM 964 C GLU C 152 16.351 -6.193 -19.161 1.00 0.00 C ATOM 965 O GLU C 152 17.332 -6.681 -18.620 1.00 0.00 O ATOM 966 CB GLU C 152 16.015 -6.088 -21.663 1.00 0.00 C ATOM 967 CG GLU C 152 15.398 -6.749 -22.933 1.00 0.00 C ATOM 968 CD GLU C 152 15.769 -5.950 -24.184 1.00 0.00 C ATOM 969 OE1 GLU C 152 15.805 -4.768 -24.140 1.00 0.00 O ATOM 970 OE2 GLU C 152 16.054 -6.503 -25.189 1.00 0.00 O1- ATOM 0 H GLU C 152 13.694 -6.145 -20.925 1.00 0.00 H new ATOM 0 HA GLU C 152 15.960 -7.918 -20.425 1.00 0.00 H new ATOM 0 HB2 GLU C 152 15.656 -5.062 -21.577 1.00 0.00 H new ATOM 0 HB3 GLU C 152 17.099 -6.039 -21.769 1.00 0.00 H new ATOM 0 HG2 GLU C 152 15.757 -7.774 -23.028 1.00 0.00 H new ATOM 0 HG3 GLU C 152 14.314 -6.799 -22.834 1.00 0.00 H new ATOM 977 N PHE C 153 15.830 -5.059 -18.740 1.00 0.00 N ATOM 978 CA PHE C 153 16.414 -4.337 -17.578 1.00 0.00 C ATOM 979 C PHE C 153 16.284 -5.184 -16.300 1.00 0.00 C ATOM 980 O PHE C 153 17.182 -5.213 -15.506 1.00 0.00 O ATOM 981 CB PHE C 153 15.620 -3.021 -17.450 1.00 0.00 C ATOM 982 CG PHE C 153 16.255 -2.149 -16.391 1.00 0.00 C ATOM 983 CD1 PHE C 153 17.360 -1.352 -16.708 1.00 0.00 C ATOM 984 CD2 PHE C 153 15.741 -2.145 -15.093 1.00 0.00 C ATOM 985 CE1 PHE C 153 17.952 -0.552 -15.726 1.00 0.00 C ATOM 986 CE2 PHE C 153 16.331 -1.346 -14.111 1.00 0.00 C ATOM 987 CZ PHE C 153 17.438 -0.548 -14.427 1.00 0.00 C ATOM 0 H PHE C 153 15.019 -4.607 -19.161 1.00 0.00 H new ATOM 0 HA PHE C 153 17.477 -4.141 -17.720 1.00 0.00 H new ATOM 0 HB2 PHE C 153 15.606 -2.498 -18.406 1.00 0.00 H new ATOM 0 HB3 PHE C 153 14.584 -3.233 -17.188 1.00 0.00 H new ATOM 0 HD1 PHE C 153 17.756 -1.355 -17.713 1.00 0.00 H new ATOM 0 HD2 PHE C 153 14.887 -2.760 -14.848 1.00 0.00 H new ATOM 0 HE1 PHE C 153 18.806 0.062 -15.971 1.00 0.00 H new ATOM 0 HE2 PHE C 153 15.933 -1.343 -13.107 1.00 0.00 H new ATOM 0 HZ PHE C 153 17.894 0.070 -13.667 1.00 0.00 H new ATOM 997 N LEU C 154 15.145 -5.826 -16.087 1.00 0.00 N ATOM 998 CA LEU C 154 14.892 -6.623 -14.813 1.00 0.00 C ATOM 999 C LEU C 154 16.036 -7.628 -14.560 1.00 0.00 C ATOM 1000 O LEU C 154 16.457 -7.829 -13.411 1.00 0.00 O ATOM 1001 CB LEU C 154 13.547 -7.356 -15.064 1.00 0.00 C ATOM 1002 CG LEU C 154 13.074 -8.086 -13.786 1.00 0.00 C ATOM 1003 CD1 LEU C 154 12.661 -7.061 -12.718 1.00 0.00 C ATOM 1004 CD2 LEU C 154 11.861 -8.970 -14.118 1.00 0.00 C ATOM 0 H LEU C 154 14.367 -5.835 -16.747 1.00 0.00 H new ATOM 0 HA LEU C 154 14.849 -5.987 -13.929 1.00 0.00 H new ATOM 0 HB2 LEU C 154 12.790 -6.638 -15.380 1.00 0.00 H new ATOM 0 HB3 LEU C 154 13.665 -8.074 -15.876 1.00 0.00 H new ATOM 0 HG LEU C 154 13.892 -8.700 -13.408 1.00 0.00 H new ATOM 0 HD11 LEU C 154 12.329 -7.584 -11.821 1.00 0.00 H new ATOM 0 HD12 LEU C 154 13.513 -6.427 -12.474 1.00 0.00 H new ATOM 0 HD13 LEU C 154 11.847 -6.445 -13.101 1.00 0.00 H new ATOM 0 HD21 LEU C 154 11.528 -9.484 -13.217 1.00 0.00 H new ATOM 0 HD22 LEU C 154 11.052 -8.348 -14.501 1.00 0.00 H new ATOM 0 HD23 LEU C 154 12.142 -9.705 -14.872 1.00 0.00 H new ATOM 1016 N GLU C 155 16.569 -8.238 -15.579 1.00 0.00 N ATOM 1017 CA GLU C 155 17.763 -9.124 -15.356 1.00 0.00 C ATOM 1018 C GLU C 155 19.044 -8.258 -15.296 1.00 0.00 C ATOM 1019 O GLU C 155 19.885 -8.445 -14.432 1.00 0.00 O ATOM 1020 CB GLU C 155 17.799 -10.163 -16.500 1.00 0.00 C ATOM 1021 CG GLU C 155 17.750 -9.510 -17.888 1.00 0.00 C ATOM 1022 CD GLU C 155 17.717 -10.604 -18.913 1.00 0.00 C ATOM 1023 OE1 GLU C 155 18.772 -11.096 -19.240 1.00 0.00 O ATOM 1024 OE2 GLU C 155 16.647 -10.957 -19.336 1.00 0.00 O1- ATOM 0 H GLU C 155 16.243 -8.170 -16.543 1.00 0.00 H new ATOM 0 HA GLU C 155 17.699 -9.657 -14.407 1.00 0.00 H new ATOM 0 HB2 GLU C 155 18.706 -10.761 -16.415 1.00 0.00 H new ATOM 0 HB3 GLU C 155 16.956 -10.846 -16.393 1.00 0.00 H new ATOM 0 HG2 GLU C 155 16.869 -8.875 -17.980 1.00 0.00 H new ATOM 0 HG3 GLU C 155 18.620 -8.871 -18.040 1.00 0.00 H new ATOM 1031 N PHE C 156 19.145 -7.266 -16.167 1.00 0.00 N ATOM 1032 CA PHE C 156 20.339 -6.332 -16.180 1.00 0.00 C ATOM 1033 C PHE C 156 20.500 -5.630 -14.820 1.00 0.00 C ATOM 1034 O PHE C 156 21.586 -5.582 -14.284 1.00 0.00 O ATOM 1035 CB PHE C 156 20.008 -5.314 -17.291 1.00 0.00 C ATOM 1036 CG PHE C 156 21.144 -4.338 -17.516 1.00 0.00 C ATOM 1037 CD1 PHE C 156 22.291 -4.733 -18.217 1.00 0.00 C ATOM 1038 CD2 PHE C 156 21.021 -3.017 -17.063 1.00 0.00 C ATOM 1039 CE1 PHE C 156 23.311 -3.809 -18.461 1.00 0.00 C ATOM 1040 CE2 PHE C 156 22.044 -2.097 -17.302 1.00 0.00 C ATOM 1041 CZ PHE C 156 23.189 -2.487 -18.003 1.00 0.00 C ATOM 0 H PHE C 156 18.443 -7.061 -16.878 1.00 0.00 H new ATOM 0 HA PHE C 156 21.278 -6.855 -16.360 1.00 0.00 H new ATOM 0 HB2 PHE C 156 19.796 -5.845 -18.219 1.00 0.00 H new ATOM 0 HB3 PHE C 156 19.105 -4.765 -17.024 1.00 0.00 H new ATOM 0 HD1 PHE C 156 22.387 -5.750 -18.568 1.00 0.00 H new ATOM 0 HD2 PHE C 156 20.134 -2.710 -16.529 1.00 0.00 H new ATOM 0 HE1 PHE C 156 24.195 -4.112 -19.003 1.00 0.00 H new ATOM 0 HE2 PHE C 156 21.950 -1.082 -16.945 1.00 0.00 H new ATOM 0 HZ PHE C 156 23.978 -1.774 -18.192 1.00 0.00 H new ATOM 1051 N MET C 157 19.427 -5.115 -14.247 1.00 0.00 N ATOM 1052 CA MET C 157 19.535 -4.412 -12.903 1.00 0.00 C ATOM 1053 C MET C 157 20.129 -5.359 -11.835 1.00 0.00 C ATOM 1054 O MET C 157 20.847 -4.939 -10.964 1.00 0.00 O ATOM 1055 CB MET C 157 18.106 -3.948 -12.515 1.00 0.00 C ATOM 1056 CG MET C 157 17.117 -5.126 -12.501 1.00 0.00 C ATOM 1057 SD MET C 157 15.517 -4.571 -11.890 1.00 0.00 S ATOM 1058 CE MET C 157 15.872 -4.869 -10.151 1.00 0.00 C ATOM 0 H MET C 157 18.487 -5.147 -14.643 1.00 0.00 H new ATOM 0 HA MET C 157 20.206 -3.555 -12.966 1.00 0.00 H new ATOM 0 HB2 MET C 157 18.129 -3.479 -11.531 1.00 0.00 H new ATOM 0 HB3 MET C 157 17.763 -3.192 -13.221 1.00 0.00 H new ATOM 0 HG2 MET C 157 17.011 -5.536 -13.505 1.00 0.00 H new ATOM 0 HG3 MET C 157 17.500 -5.927 -11.869 1.00 0.00 H new ATOM 0 HE1 MET C 157 15.005 -4.593 -9.550 1.00 0.00 H new ATOM 0 HE2 MET C 157 16.096 -5.925 -10.001 1.00 0.00 H new ATOM 0 HE3 MET C 157 16.730 -4.269 -9.847 1.00 0.00 H new