USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 500 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 133 THR OG1 : rot -89:sc= -0.0326 USER MOD Set 1.2: A 172 GLN : amide:sc= -0.0985 K(o=-0.13,f=-1.4) USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 140 ASN : amide:sc= -0.0174 K(o=-0.017,f=-0.86) USER MOD Single : A 144 ASN : amide:sc= -0.0994 K(o=-0.099,f=-0.8) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 ASN : amide:sc= -0.0829 X(o=-0.083,f=-0.083) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot -160:sc= -0.75 USER MOD Single : A 152 SER OG : rot -98:sc= 1.27 USER MOD Single : A 154 MET CE :methyl -160:sc= -1.2 (180deg=-2.47!) USER MOD Single : A 155 MET CE :methyl 180:sc=-0.000965 (180deg=-0.000965) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.5) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 53:sc= -2.01 USER MOD Single : A 168 LYS NZ :NH3+ 172:sc= -0.325 (180deg=-0.474) USER MOD Single : A 169 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 170 ASN : amide:sc=-0.00215 X(o=-0.0021,f=0) USER MOD Single : A 176 GLN : amide:sc= -0.568 K(o=-0.57,f=-1.9!) USER MOD Single : A 180 THR OG1 : rot -35:sc= 1.03 USER MOD Single : A 185 MET CE :methyl -151:sc= -1.68 (180deg=-2.6!) USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 MET CE :methyl 138:sc= -5.87! (180deg=-9.96!) USER MOD Single : A 190 THR OG1 : rot 47:sc= 0.969 USER MOD Single : A 192 MET CE :methyl -148:sc= -0.228 (180deg=-1.16) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 133 63.088 -1.154 -4.883 1.00 0.00 N ATOM 92 CA THR A 133 62.066 -0.789 -5.868 1.00 0.00 C ATOM 93 C THR A 133 61.346 -2.011 -6.411 1.00 0.00 C ATOM 94 O THR A 133 60.133 -1.989 -6.561 1.00 0.00 O ATOM 95 CB THR A 133 62.717 -0.023 -7.030 1.00 0.00 C ATOM 96 OG1 THR A 133 63.531 -0.913 -7.782 1.00 0.00 O ATOM 97 CG2 THR A 133 63.581 1.128 -6.496 1.00 0.00 C ATOM 0 HA THR A 133 61.332 -0.159 -5.367 1.00 0.00 H new ATOM 0 HB THR A 133 61.932 0.390 -7.664 1.00 0.00 H new ATOM 0 HG1 THR A 133 64.436 -0.924 -7.407 1.00 0.00 H new ATOM 0 HG21 THR A 133 64.035 1.660 -7.332 1.00 0.00 H new ATOM 0 HG22 THR A 133 62.958 1.815 -5.923 1.00 0.00 H new ATOM 0 HG23 THR A 133 64.364 0.727 -5.853 1.00 0.00 H new ATOM 105 N GLN A 134 62.084 -3.093 -6.640 1.00 0.00 N ATOM 106 CA GLN A 134 61.510 -4.284 -7.271 1.00 0.00 C ATOM 107 C GLN A 134 60.263 -4.772 -6.526 1.00 0.00 C ATOM 108 O GLN A 134 59.236 -5.050 -7.148 1.00 0.00 O ATOM 109 CB GLN A 134 62.551 -5.402 -7.319 1.00 0.00 C ATOM 110 CG GLN A 134 63.681 -5.009 -8.273 1.00 0.00 C ATOM 111 CD GLN A 134 64.697 -6.142 -8.374 1.00 0.00 C ATOM 112 OE1 GLN A 134 64.325 -7.315 -8.356 1.00 0.00 O ATOM 113 NE2 GLN A 134 65.967 -5.859 -8.477 1.00 0.00 N ATOM 0 H GLN A 134 63.073 -3.173 -6.402 1.00 0.00 H new ATOM 0 HA GLN A 134 61.213 -4.013 -8.284 1.00 0.00 H new ATOM 0 HB2 GLN A 134 62.950 -5.584 -6.321 1.00 0.00 H new ATOM 0 HB3 GLN A 134 62.087 -6.331 -7.651 1.00 0.00 H new ATOM 0 HG2 GLN A 134 63.274 -4.786 -9.259 1.00 0.00 H new ATOM 0 HG3 GLN A 134 64.170 -4.102 -7.917 1.00 0.00 H new ATOM 0 HE21 GLN A 134 66.273 -4.886 -8.492 1.00 0.00 H new ATOM 0 HE22 GLN A 134 66.653 -6.611 -8.543 1.00 0.00 H new ATOM 122 N LEU A 135 60.328 -4.796 -5.194 1.00 0.00 N ATOM 123 CA LEU A 135 59.219 -5.324 -4.400 1.00 0.00 C ATOM 124 C LEU A 135 57.931 -4.534 -4.625 1.00 0.00 C ATOM 125 O LEU A 135 56.912 -5.105 -5.018 1.00 0.00 O ATOM 126 CB LEU A 135 59.574 -5.256 -2.920 1.00 0.00 C ATOM 127 CG LEU A 135 60.717 -6.215 -2.613 1.00 0.00 C ATOM 128 CD1 LEU A 135 61.216 -5.947 -1.196 1.00 0.00 C ATOM 129 CD2 LEU A 135 60.206 -7.653 -2.715 1.00 0.00 C ATOM 0 H LEU A 135 61.123 -4.462 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 135 59.054 -6.355 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 135 59.860 -4.239 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 135 58.703 -5.511 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 135 61.531 -6.070 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 135 62.035 -6.628 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 135 61.568 -4.918 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 135 60.402 -6.104 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 135 61.020 -8.345 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 135 59.399 -7.804 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 135 59.835 -7.837 -3.723 1.00 0.00 H new ATOM 141 N PHE A 136 57.987 -3.219 -4.404 1.00 0.00 N ATOM 142 CA PHE A 136 56.836 -2.363 -4.699 1.00 0.00 C ATOM 143 C PHE A 136 56.661 -2.015 -6.176 1.00 0.00 C ATOM 144 O PHE A 136 55.527 -1.863 -6.634 1.00 0.00 O ATOM 145 CB PHE A 136 56.720 -1.145 -3.771 1.00 0.00 C ATOM 146 CG PHE A 136 57.994 -0.594 -3.189 1.00 0.00 C ATOM 147 CD1 PHE A 136 58.957 0.071 -3.978 1.00 0.00 C ATOM 148 CD2 PHE A 136 58.178 -0.711 -1.795 1.00 0.00 C ATOM 149 CE1 PHE A 136 60.114 0.611 -3.357 1.00 0.00 C ATOM 150 CE2 PHE A 136 59.328 -0.176 -1.181 1.00 0.00 C ATOM 151 CZ PHE A 136 60.297 0.487 -1.961 1.00 0.00 C ATOM 0 H PHE A 136 58.800 -2.731 -4.029 1.00 0.00 H new ATOM 0 HA PHE A 136 55.977 -2.992 -4.467 1.00 0.00 H new ATOM 0 HB2 PHE A 136 56.229 -0.345 -4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 136 56.060 -1.412 -2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 136 58.815 0.168 -5.044 1.00 0.00 H new ATOM 0 HD2 PHE A 136 57.433 -1.213 -1.195 1.00 0.00 H new ATOM 0 HE1 PHE A 136 60.857 1.119 -3.954 1.00 0.00 H new ATOM 0 HE2 PHE A 136 59.467 -0.274 -0.114 1.00 0.00 H new ATOM 0 HZ PHE A 136 61.178 0.900 -1.492 1.00 0.00 H new ATOM 161 N ALA A 137 57.743 -1.994 -6.947 1.00 0.00 N ATOM 162 CA ALA A 137 57.629 -1.725 -8.389 1.00 0.00 C ATOM 163 C ALA A 137 56.702 -2.750 -9.057 1.00 0.00 C ATOM 164 O ALA A 137 56.109 -2.476 -10.100 1.00 0.00 O ATOM 165 CB ALA A 137 59.004 -1.764 -9.057 1.00 0.00 C ATOM 0 H ALA A 137 58.693 -2.155 -6.614 1.00 0.00 H new ATOM 0 HA ALA A 137 57.205 -0.728 -8.512 1.00 0.00 H new ATOM 0 HB1 ALA A 137 58.897 -1.563 -10.123 1.00 0.00 H new ATOM 0 HB2 ALA A 137 59.648 -1.008 -8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 137 59.449 -2.749 -8.917 1.00 0.00 H new ATOM 171 N ASP A 138 56.586 -3.931 -8.441 1.00 0.00 N ATOM 172 CA ASP A 138 55.552 -4.906 -8.813 1.00 0.00 C ATOM 173 C ASP A 138 54.153 -4.265 -8.731 1.00 0.00 C ATOM 174 O ASP A 138 53.916 -3.410 -7.877 1.00 0.00 O ATOM 175 CB ASP A 138 55.624 -6.101 -7.843 1.00 0.00 C ATOM 176 CG ASP A 138 55.180 -7.407 -8.508 1.00 0.00 C ATOM 177 OD1 ASP A 138 55.011 -7.424 -9.714 1.00 0.00 O ATOM 178 OD2 ASP A 138 55.015 -8.379 -7.790 1.00 0.00 O ATOM 0 H ASP A 138 57.195 -4.236 -7.682 1.00 0.00 H new ATOM 0 HA ASP A 138 55.724 -5.239 -9.837 1.00 0.00 H new ATOM 0 HB2 ASP A 138 56.645 -6.210 -7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 138 54.994 -5.903 -6.976 1.00 0.00 H new ATOM 183 N PRO A 139 53.239 -4.646 -9.598 1.00 0.00 N ATOM 184 CA PRO A 139 51.786 -4.344 -9.393 1.00 0.00 C ATOM 185 C PRO A 139 51.226 -5.047 -8.159 1.00 0.00 C ATOM 186 O PRO A 139 51.836 -5.985 -7.644 1.00 0.00 O ATOM 187 CB PRO A 139 51.095 -4.843 -10.673 1.00 0.00 C ATOM 188 CG PRO A 139 52.102 -5.688 -11.370 1.00 0.00 C ATOM 189 CD PRO A 139 53.465 -5.133 -10.970 1.00 0.00 C ATOM 0 HA PRO A 139 51.620 -3.281 -9.220 1.00 0.00 H new ATOM 0 HB2 PRO A 139 50.199 -5.417 -10.436 1.00 0.00 H new ATOM 0 HB3 PRO A 139 50.783 -4.008 -11.300 1.00 0.00 H new ATOM 0 HG2 PRO A 139 52.005 -6.733 -11.076 1.00 0.00 H new ATOM 0 HG3 PRO A 139 51.966 -5.646 -12.451 1.00 0.00 H new ATOM 0 HD2 PRO A 139 54.238 -5.901 -11.003 1.00 0.00 H new ATOM 0 HD3 PRO A 139 53.784 -4.331 -11.635 1.00 0.00 H new ATOM 197 N ASN A 140 50.026 -4.622 -7.745 1.00 0.00 N ATOM 198 CA ASN A 140 49.468 -4.893 -6.400 1.00 0.00 C ATOM 199 C ASN A 140 50.464 -5.478 -5.386 1.00 0.00 C ATOM 200 O ASN A 140 50.454 -6.683 -5.119 1.00 0.00 O ATOM 201 CB ASN A 140 48.277 -5.857 -6.535 1.00 0.00 C ATOM 202 CG ASN A 140 47.259 -5.318 -7.539 1.00 0.00 C ATOM 203 OD1 ASN A 140 47.120 -4.106 -7.698 1.00 0.00 O ATOM 204 ND2 ASN A 140 46.549 -6.156 -8.242 1.00 0.00 N ATOM 0 H ASN A 140 49.402 -4.073 -8.336 1.00 0.00 H new ATOM 0 HA ASN A 140 49.173 -3.921 -6.004 1.00 0.00 H new ATOM 0 HB2 ASN A 140 48.630 -6.837 -6.857 1.00 0.00 H new ATOM 0 HB3 ASN A 140 47.801 -5.993 -5.564 1.00 0.00 H new ATOM 0 HD21 ASN A 140 45.877 -5.807 -8.925 1.00 0.00 H new ATOM 0 HD22 ASN A 140 46.666 -7.160 -8.109 1.00 0.00 H new ATOM 211 N LEU A 141 51.342 -4.635 -4.845 1.00 0.00 N ATOM 212 CA LEU A 141 51.985 -4.958 -3.573 1.00 0.00 C ATOM 213 C LEU A 141 51.457 -4.060 -2.443 1.00 0.00 C ATOM 214 O LEU A 141 51.579 -4.408 -1.269 1.00 0.00 O ATOM 215 CB LEU A 141 53.501 -4.788 -3.699 1.00 0.00 C ATOM 216 CG LEU A 141 54.197 -5.413 -2.483 1.00 0.00 C ATOM 217 CD1 LEU A 141 54.015 -6.939 -2.508 1.00 0.00 C ATOM 218 CD2 LEU A 141 55.692 -5.067 -2.507 1.00 0.00 C ATOM 0 H LEU A 141 51.620 -3.744 -5.256 1.00 0.00 H new ATOM 0 HA LEU A 141 51.751 -5.994 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 141 53.854 -5.262 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 141 53.753 -3.730 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 141 53.752 -5.015 -1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 141 54.511 -7.379 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 141 52.952 -7.179 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 141 54.453 -7.343 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 141 56.183 -5.513 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 141 56.141 -5.458 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 141 55.815 -3.984 -2.476 1.00 0.00 H new ATOM 230 N ILE A 142 50.768 -2.966 -2.799 1.00 0.00 N ATOM 231 CA ILE A 142 50.199 -2.079 -1.788 1.00 0.00 C ATOM 232 C ILE A 142 49.087 -2.780 -1.000 1.00 0.00 C ATOM 233 O ILE A 142 48.905 -2.496 0.181 1.00 0.00 O ATOM 234 CB ILE A 142 49.704 -0.757 -2.433 1.00 0.00 C ATOM 235 CG1 ILE A 142 50.917 0.170 -2.680 1.00 0.00 C ATOM 236 CG2 ILE A 142 48.707 -0.031 -1.503 1.00 0.00 C ATOM 237 CD1 ILE A 142 50.475 1.430 -3.444 1.00 0.00 C ATOM 0 H ILE A 142 50.596 -2.682 -3.763 1.00 0.00 H new ATOM 0 HA ILE A 142 50.984 -1.824 -1.076 1.00 0.00 H new ATOM 0 HB ILE A 142 49.203 -0.995 -3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 142 51.368 0.452 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 142 51.680 -0.361 -3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 142 48.374 0.893 -1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 142 47.847 -0.675 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 142 49.196 0.202 -0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 142 51.338 2.075 -3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 142 50.045 1.142 -4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 142 49.729 1.967 -2.859 1.00 0.00 H new ATOM 249 N GLU A 143 48.363 -3.714 -1.622 1.00 0.00 N ATOM 250 CA GLU A 143 47.193 -4.307 -0.958 1.00 0.00 C ATOM 251 C GLU A 143 47.606 -5.093 0.286 1.00 0.00 C ATOM 252 O GLU A 143 47.108 -4.848 1.385 1.00 0.00 O ATOM 253 CB GLU A 143 46.482 -5.253 -1.926 1.00 0.00 C ATOM 254 CG GLU A 143 45.784 -4.438 -3.014 1.00 0.00 C ATOM 255 CD GLU A 143 45.016 -5.362 -3.955 1.00 0.00 C ATOM 256 OE1 GLU A 143 44.401 -6.296 -3.467 1.00 0.00 O ATOM 257 OE2 GLU A 143 45.057 -5.123 -5.150 1.00 0.00 O ATOM 0 H GLU A 143 48.556 -4.070 -2.558 1.00 0.00 H new ATOM 0 HA GLU A 143 46.527 -3.498 -0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 143 47.201 -5.939 -2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 143 45.754 -5.861 -1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 143 45.101 -3.721 -2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 143 46.520 -3.864 -3.577 1.00 0.00 H new ATOM 264 N ASN A 144 48.608 -5.953 0.133 1.00 0.00 N ATOM 265 CA ASN A 144 49.210 -6.642 1.278 1.00 0.00 C ATOM 266 C ASN A 144 49.698 -5.625 2.315 1.00 0.00 C ATOM 267 O ASN A 144 49.565 -5.829 3.523 1.00 0.00 O ATOM 268 CB ASN A 144 50.391 -7.485 0.790 1.00 0.00 C ATOM 269 CG ASN A 144 49.930 -8.477 -0.278 1.00 0.00 C ATOM 270 OD1 ASN A 144 48.783 -8.925 -0.260 1.00 0.00 O ATOM 271 ND2 ASN A 144 50.742 -8.800 -1.248 1.00 0.00 N ATOM 0 H ASN A 144 49.022 -6.191 -0.768 1.00 0.00 H new ATOM 0 HA ASN A 144 48.462 -7.284 1.744 1.00 0.00 H new ATOM 0 HB2 ASN A 144 51.166 -6.836 0.383 1.00 0.00 H new ATOM 0 HB3 ASN A 144 50.834 -8.023 1.628 1.00 0.00 H new ATOM 0 HD21 ASN A 144 50.426 -9.423 -1.991 1.00 0.00 H new ATOM 0 HD22 ASN A 144 51.692 -8.429 -1.263 1.00 0.00 H new ATOM 278 N LEU A 145 50.260 -4.537 1.811 1.00 0.00 N ATOM 279 CA LEU A 145 50.718 -3.435 2.652 1.00 0.00 C ATOM 280 C LEU A 145 49.557 -2.740 3.372 1.00 0.00 C ATOM 281 O LEU A 145 49.775 -2.043 4.360 1.00 0.00 O ATOM 282 CB LEU A 145 51.531 -2.446 1.816 1.00 0.00 C ATOM 283 CG LEU A 145 52.737 -3.185 1.224 1.00 0.00 C ATOM 284 CD1 LEU A 145 53.429 -2.300 0.187 1.00 0.00 C ATOM 285 CD2 LEU A 145 53.724 -3.538 2.345 1.00 0.00 C ATOM 0 H LEU A 145 50.412 -4.391 0.813 1.00 0.00 H new ATOM 0 HA LEU A 145 51.361 -3.847 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 145 50.915 -2.027 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 145 51.864 -1.612 2.434 1.00 0.00 H new ATOM 0 HG LEU A 145 52.396 -4.101 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 145 54.285 -2.830 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 145 52.727 -2.058 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 145 53.769 -1.380 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 145 54.581 -4.063 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 145 54.063 -2.624 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 145 53.230 -4.178 3.076 1.00 0.00 H new ATOM 297 N LYS A 146 48.351 -2.804 2.803 1.00 0.00 N ATOM 298 CA LYS A 146 47.177 -2.243 3.477 1.00 0.00 C ATOM 299 C LYS A 146 46.911 -2.949 4.814 1.00 0.00 C ATOM 300 O LYS A 146 46.701 -2.297 5.837 1.00 0.00 O ATOM 301 CB LYS A 146 45.927 -2.368 2.598 1.00 0.00 C ATOM 302 CG LYS A 146 46.048 -1.435 1.390 1.00 0.00 C ATOM 303 CD LYS A 146 44.822 -1.603 0.490 1.00 0.00 C ATOM 304 CE LYS A 146 43.603 -0.966 1.160 1.00 0.00 C ATOM 305 NZ LYS A 146 42.408 -1.146 0.289 1.00 0.00 N ATOM 0 H LYS A 146 48.163 -3.230 1.895 1.00 0.00 H new ATOM 0 HA LYS A 146 47.390 -1.190 3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 146 45.808 -3.398 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 146 45.038 -2.116 3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 146 46.129 -0.400 1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 146 46.956 -1.662 0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 146 45.003 -1.137 -0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 146 44.636 -2.661 0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 146 43.429 -1.424 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 146 43.783 0.095 1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 41.579 -0.713 0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 42.576 -0.690 -0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 42.233 -2.161 0.145 1.00 0.00 H new ATOM 319 N LYS A 147 46.878 -4.286 4.790 1.00 0.00 N ATOM 320 CA LYS A 147 46.311 -5.030 5.921 1.00 0.00 C ATOM 321 C LYS A 147 47.287 -5.266 7.091 1.00 0.00 C ATOM 322 O LYS A 147 46.908 -5.055 8.246 1.00 0.00 O ATOM 323 CB LYS A 147 45.796 -6.382 5.428 1.00 0.00 C ATOM 324 CG LYS A 147 44.619 -6.162 4.473 1.00 0.00 C ATOM 325 CD LYS A 147 44.023 -7.515 4.078 1.00 0.00 C ATOM 326 CE LYS A 147 42.922 -7.303 3.038 1.00 0.00 C ATOM 327 NZ LYS A 147 41.667 -6.878 3.721 1.00 0.00 N ATOM 0 H LYS A 147 47.226 -4.862 4.024 1.00 0.00 H new ATOM 0 HA LYS A 147 45.508 -4.406 6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 147 46.594 -6.924 4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 147 45.483 -6.994 6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 147 43.859 -5.544 4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 147 44.953 -5.626 3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 147 44.801 -8.163 3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 147 43.617 -8.016 4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 147 43.230 -6.546 2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 147 42.751 -8.224 2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 40.918 -6.734 3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 41.371 -7.614 4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 41.835 -5.989 4.234 1.00 0.00 H new ATOM 341 N ASN A 148 48.534 -5.688 6.817 1.00 0.00 N ATOM 342 CA ASN A 148 49.385 -6.181 7.922 1.00 0.00 C ATOM 343 C ASN A 148 50.437 -5.177 8.439 1.00 0.00 C ATOM 344 O ASN A 148 50.936 -5.353 9.553 1.00 0.00 O ATOM 345 CB ASN A 148 50.110 -7.446 7.445 1.00 0.00 C ATOM 346 CG ASN A 148 50.816 -8.137 8.610 1.00 0.00 C ATOM 347 OD1 ASN A 148 50.181 -8.843 9.393 1.00 0.00 O ATOM 348 ND2 ASN A 148 52.102 -7.973 8.768 1.00 0.00 N ATOM 0 H ASN A 148 48.962 -5.701 5.891 1.00 0.00 H new ATOM 0 HA ASN A 148 48.714 -6.366 8.761 1.00 0.00 H new ATOM 0 HB2 ASN A 148 49.395 -8.131 6.989 1.00 0.00 H new ATOM 0 HB3 ASN A 148 50.837 -7.186 6.676 1.00 0.00 H new ATOM 0 HD21 ASN A 148 52.583 -8.431 9.542 1.00 0.00 H new ATOM 0 HD22 ASN A 148 52.625 -7.387 8.117 1.00 0.00 H new ATOM 355 N PRO A 149 50.792 -4.154 7.696 1.00 0.00 N ATOM 356 CA PRO A 149 51.793 -3.162 8.177 1.00 0.00 C ATOM 357 C PRO A 149 51.187 -1.802 8.510 1.00 0.00 C ATOM 358 O PRO A 149 50.236 -1.358 7.867 1.00 0.00 O ATOM 359 CB PRO A 149 52.760 -3.056 7.005 1.00 0.00 C ATOM 360 CG PRO A 149 51.940 -3.330 5.787 1.00 0.00 C ATOM 361 CD PRO A 149 50.644 -4.024 6.242 1.00 0.00 C ATOM 0 HA PRO A 149 52.257 -3.477 9.111 1.00 0.00 H new ATOM 0 HB2 PRO A 149 53.214 -2.066 6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 149 53.573 -3.775 7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 149 51.713 -2.402 5.262 1.00 0.00 H new ATOM 0 HG3 PRO A 149 52.489 -3.964 5.091 1.00 0.00 H new ATOM 0 HD2 PRO A 149 49.765 -3.434 5.983 1.00 0.00 H new ATOM 0 HD3 PRO A 149 50.526 -4.997 5.766 1.00 0.00 H new ATOM 369 N LYS A 150 51.801 -1.114 9.477 1.00 0.00 N ATOM 370 CA LYS A 150 51.397 0.256 9.825 1.00 0.00 C ATOM 371 C LYS A 150 51.521 1.195 8.612 1.00 0.00 C ATOM 372 O LYS A 150 50.890 2.250 8.571 1.00 0.00 O ATOM 373 CB LYS A 150 52.264 0.807 10.968 1.00 0.00 C ATOM 374 CG LYS A 150 52.354 -0.210 12.111 1.00 0.00 C ATOM 375 CD LYS A 150 53.002 0.447 13.333 1.00 0.00 C ATOM 376 CE LYS A 150 54.492 0.674 13.063 1.00 0.00 C ATOM 377 NZ LYS A 150 55.184 1.000 14.342 1.00 0.00 N ATOM 0 H LYS A 150 52.576 -1.479 10.031 1.00 0.00 H new ATOM 0 HA LYS A 150 50.355 0.214 10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 150 53.263 1.035 10.597 1.00 0.00 H new ATOM 0 HB3 LYS A 150 51.840 1.741 11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 150 51.359 -0.574 12.366 1.00 0.00 H new ATOM 0 HG3 LYS A 150 52.939 -1.074 11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 150 52.513 1.396 13.551 1.00 0.00 H new ATOM 0 HD3 LYS A 150 52.873 -0.187 14.211 1.00 0.00 H new ATOM 0 HE2 LYS A 150 54.932 -0.218 12.616 1.00 0.00 H new ATOM 0 HE3 LYS A 150 54.624 1.487 12.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 56.196 1.154 14.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 54.770 1.862 14.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 55.069 0.211 15.010 1.00 0.00 H new ATOM 391 N THR A 151 52.302 0.779 7.610 1.00 0.00 N ATOM 392 CA THR A 151 52.522 1.587 6.405 1.00 0.00 C ATOM 393 C THR A 151 51.191 1.923 5.703 1.00 0.00 C ATOM 394 O THR A 151 51.072 2.930 4.989 1.00 0.00 O ATOM 395 CB THR A 151 53.428 0.805 5.445 1.00 0.00 C ATOM 396 OG1 THR A 151 52.776 -0.397 5.060 1.00 0.00 O ATOM 397 CG2 THR A 151 54.752 0.465 6.134 1.00 0.00 C ATOM 0 H THR A 151 52.794 -0.115 7.609 1.00 0.00 H new ATOM 0 HA THR A 151 52.993 2.526 6.695 1.00 0.00 H new ATOM 0 HB THR A 151 53.630 1.416 4.565 1.00 0.00 H new ATOM 0 HG1 THR A 151 53.439 -1.035 4.722 1.00 0.00 H new ATOM 0 HG21 THR A 151 55.389 -0.090 5.445 1.00 0.00 H new ATOM 0 HG22 THR A 151 55.255 1.386 6.431 1.00 0.00 H new ATOM 0 HG23 THR A 151 54.557 -0.143 7.017 1.00 0.00 H new ATOM 405 N SER A 152 50.161 1.126 5.980 1.00 0.00 N ATOM 406 CA SER A 152 48.866 1.301 5.327 1.00 0.00 C ATOM 407 C SER A 152 48.228 2.656 5.640 1.00 0.00 C ATOM 408 O SER A 152 47.314 3.090 4.932 1.00 0.00 O ATOM 409 CB SER A 152 47.930 0.191 5.782 1.00 0.00 C ATOM 410 OG SER A 152 48.116 -0.042 7.171 1.00 0.00 O ATOM 0 H SER A 152 50.197 0.357 6.649 1.00 0.00 H new ATOM 0 HA SER A 152 49.031 1.260 4.250 1.00 0.00 H new ATOM 0 HB2 SER A 152 46.895 0.469 5.584 1.00 0.00 H new ATOM 0 HB3 SER A 152 48.129 -0.721 5.219 1.00 0.00 H new ATOM 0 HG SER A 152 48.712 -0.810 7.297 1.00 0.00 H new ATOM 416 N GLU A 153 48.741 3.358 6.655 1.00 0.00 N ATOM 417 CA GLU A 153 48.229 4.687 6.975 1.00 0.00 C ATOM 418 C GLU A 153 48.343 5.602 5.756 1.00 0.00 C ATOM 419 O GLU A 153 47.338 6.150 5.288 1.00 0.00 O ATOM 420 CB GLU A 153 49.014 5.277 8.146 1.00 0.00 C ATOM 421 CG GLU A 153 48.586 4.585 9.445 1.00 0.00 C ATOM 422 CD GLU A 153 49.202 5.292 10.651 1.00 0.00 C ATOM 423 OE1 GLU A 153 50.353 5.691 10.562 1.00 0.00 O ATOM 424 OE2 GLU A 153 48.512 5.423 11.649 1.00 0.00 O ATOM 0 H GLU A 153 49.497 3.033 7.258 1.00 0.00 H new ATOM 0 HA GLU A 153 47.179 4.604 7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 153 50.084 5.144 7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 153 48.833 6.350 8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 153 47.499 4.591 9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 153 48.898 3.541 9.429 1.00 0.00 H new ATOM 431 N MET A 154 49.518 5.594 5.121 1.00 0.00 N ATOM 432 CA MET A 154 49.757 6.500 4.004 1.00 0.00 C ATOM 433 C MET A 154 48.866 6.143 2.827 1.00 0.00 C ATOM 434 O MET A 154 48.558 7.003 2.000 1.00 0.00 O ATOM 435 CB MET A 154 51.204 6.446 3.527 1.00 0.00 C ATOM 436 CG MET A 154 52.142 6.881 4.650 1.00 0.00 C ATOM 437 SD MET A 154 53.828 7.029 4.002 1.00 0.00 S ATOM 438 CE MET A 154 54.011 5.325 3.413 1.00 0.00 C ATOM 0 H MET A 154 50.300 4.983 5.357 1.00 0.00 H new ATOM 0 HA MET A 154 49.534 7.504 4.366 1.00 0.00 H new ATOM 0 HB2 MET A 154 51.452 5.434 3.207 1.00 0.00 H new ATOM 0 HB3 MET A 154 51.334 7.095 2.661 1.00 0.00 H new ATOM 0 HG2 MET A 154 51.814 7.835 5.063 1.00 0.00 H new ATOM 0 HG3 MET A 154 52.115 6.155 5.463 1.00 0.00 H new ATOM 0 HE1 MET A 154 55.070 5.090 3.302 1.00 0.00 H new ATOM 0 HE2 MET A 154 53.561 4.641 4.133 1.00 0.00 H new ATOM 0 HE3 MET A 154 53.512 5.217 2.450 1.00 0.00 H new ATOM 448 N MET A 155 48.510 4.858 2.694 1.00 0.00 N ATOM 449 CA MET A 155 47.723 4.419 1.543 1.00 0.00 C ATOM 450 C MET A 155 46.311 5.009 1.575 1.00 0.00 C ATOM 451 O MET A 155 45.775 5.409 0.541 1.00 0.00 O ATOM 452 CB MET A 155 47.624 2.886 1.533 1.00 0.00 C ATOM 453 CG MET A 155 49.029 2.267 1.517 1.00 0.00 C ATOM 454 SD MET A 155 49.850 2.634 -0.057 1.00 0.00 S ATOM 455 CE MET A 155 51.539 2.262 0.476 1.00 0.00 C ATOM 0 H MET A 155 48.750 4.121 3.356 1.00 0.00 H new ATOM 0 HA MET A 155 48.227 4.770 0.642 1.00 0.00 H new ATOM 0 HB2 MET A 155 47.077 2.543 2.411 1.00 0.00 H new ATOM 0 HB3 MET A 155 47.063 2.556 0.659 1.00 0.00 H new ATOM 0 HG2 MET A 155 49.619 2.661 2.345 1.00 0.00 H new ATOM 0 HG3 MET A 155 48.962 1.188 1.659 1.00 0.00 H new ATOM 0 HE1 MET A 155 52.226 2.424 -0.354 1.00 0.00 H new ATOM 0 HE2 MET A 155 51.811 2.915 1.305 1.00 0.00 H new ATOM 0 HE3 MET A 155 51.598 1.223 0.799 1.00 0.00 H new ATOM 465 N LYS A 156 45.712 5.056 2.769 1.00 0.00 N ATOM 466 CA LYS A 156 44.281 5.332 2.879 1.00 0.00 C ATOM 467 C LYS A 156 43.976 6.832 2.957 1.00 0.00 C ATOM 468 O LYS A 156 42.837 7.244 2.726 1.00 0.00 O ATOM 469 CB LYS A 156 43.743 4.652 4.137 1.00 0.00 C ATOM 470 CG LYS A 156 43.782 3.134 3.955 1.00 0.00 C ATOM 471 CD LYS A 156 43.148 2.456 5.172 1.00 0.00 C ATOM 472 CE LYS A 156 43.283 0.938 5.041 1.00 0.00 C ATOM 473 NZ LYS A 156 42.346 0.272 5.989 1.00 0.00 N ATOM 0 H LYS A 156 46.189 4.909 3.659 1.00 0.00 H new ATOM 0 HA LYS A 156 43.800 4.944 1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 156 44.340 4.940 5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 156 42.722 4.979 4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 156 43.246 2.852 3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 156 44.812 2.798 3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 156 43.635 2.797 6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 156 42.096 2.733 5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 156 43.063 0.630 4.019 1.00 0.00 H new ATOM 0 HE3 LYS A 156 44.308 0.634 5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 42.438 -0.760 5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 42.576 0.557 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 41.370 0.553 5.767 1.00 0.00 H new ATOM 487 N ASP A 157 44.988 7.644 3.279 1.00 0.00 N ATOM 488 CA ASP A 157 44.789 9.096 3.335 1.00 0.00 C ATOM 489 C ASP A 157 45.667 9.838 2.312 1.00 0.00 C ATOM 490 O ASP A 157 45.176 10.234 1.253 1.00 0.00 O ATOM 491 CB ASP A 157 45.053 9.607 4.761 1.00 0.00 C ATOM 492 CG ASP A 157 43.738 9.781 5.518 1.00 0.00 C ATOM 493 OD1 ASP A 157 42.851 10.429 4.985 1.00 0.00 O ATOM 494 OD2 ASP A 157 43.636 9.263 6.618 1.00 0.00 O ATOM 0 H ASP A 157 45.933 7.330 3.500 1.00 0.00 H new ATOM 0 HA ASP A 157 43.752 9.303 3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 157 45.695 8.905 5.292 1.00 0.00 H new ATOM 0 HB3 ASP A 157 45.585 10.558 4.721 1.00 0.00 H new ATOM 499 N PRO A 158 46.937 10.026 2.589 1.00 0.00 N ATOM 500 CA PRO A 158 47.750 11.084 1.905 1.00 0.00 C ATOM 501 C PRO A 158 47.929 10.859 0.402 1.00 0.00 C ATOM 502 O PRO A 158 47.957 9.728 -0.079 1.00 0.00 O ATOM 503 CB PRO A 158 49.105 11.040 2.621 1.00 0.00 C ATOM 504 CG PRO A 158 49.182 9.678 3.212 1.00 0.00 C ATOM 505 CD PRO A 158 47.751 9.308 3.586 1.00 0.00 C ATOM 0 HA PRO A 158 47.248 12.049 1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 158 49.925 11.216 1.925 1.00 0.00 H new ATOM 0 HB3 PRO A 158 49.170 11.809 3.391 1.00 0.00 H new ATOM 0 HG2 PRO A 158 49.597 8.965 2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 158 49.831 9.668 4.088 1.00 0.00 H new ATOM 0 HD2 PRO A 158 47.589 8.231 3.536 1.00 0.00 H new ATOM 0 HD3 PRO A 158 47.508 9.620 4.602 1.00 0.00 H new ATOM 513 N GLN A 159 48.198 11.961 -0.305 1.00 0.00 N ATOM 514 CA GLN A 159 48.505 11.918 -1.740 1.00 0.00 C ATOM 515 C GLN A 159 49.748 11.062 -2.031 1.00 0.00 C ATOM 516 O GLN A 159 49.953 10.622 -3.168 1.00 0.00 O ATOM 517 CB GLN A 159 48.728 13.335 -2.271 1.00 0.00 C ATOM 518 CG GLN A 159 47.377 14.012 -2.520 1.00 0.00 C ATOM 519 CD GLN A 159 46.678 13.369 -3.713 1.00 0.00 C ATOM 520 OE1 GLN A 159 47.284 13.198 -4.770 1.00 0.00 O ATOM 521 NE2 GLN A 159 45.431 12.999 -3.606 1.00 0.00 N ATOM 0 H GLN A 159 48.210 12.899 0.095 1.00 0.00 H new ATOM 0 HA GLN A 159 47.653 11.462 -2.244 1.00 0.00 H new ATOM 0 HB2 GLN A 159 49.310 13.915 -1.554 1.00 0.00 H new ATOM 0 HB3 GLN A 159 49.304 13.301 -3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 159 46.750 13.927 -1.632 1.00 0.00 H new ATOM 0 HG3 GLN A 159 47.524 15.076 -2.705 1.00 0.00 H new ATOM 0 HE21 GLN A 159 44.930 13.142 -2.729 1.00 0.00 H new ATOM 0 HE22 GLN A 159 44.957 12.567 -4.399 1.00 0.00 H new ATOM 530 N LEU A 160 50.548 10.792 -0.995 1.00 0.00 N ATOM 531 CA LEU A 160 51.856 10.167 -1.185 1.00 0.00 C ATOM 532 C LEU A 160 51.724 8.842 -1.949 1.00 0.00 C ATOM 533 O LEU A 160 52.672 8.400 -2.594 1.00 0.00 O ATOM 534 CB LEU A 160 52.514 9.908 0.173 1.00 0.00 C ATOM 535 CG LEU A 160 53.994 9.569 -0.025 1.00 0.00 C ATOM 536 CD1 LEU A 160 54.753 10.818 -0.479 1.00 0.00 C ATOM 537 CD2 LEU A 160 54.582 9.069 1.297 1.00 0.00 C ATOM 0 H LEU A 160 50.313 10.996 -0.023 1.00 0.00 H new ATOM 0 HA LEU A 160 52.476 10.847 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 160 52.415 10.787 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 160 52.008 9.087 0.682 1.00 0.00 H new ATOM 0 HG LEU A 160 54.088 8.793 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 160 55.806 10.573 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 160 54.335 11.175 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 160 54.659 11.596 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 160 55.636 8.827 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 160 54.485 9.846 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 160 54.045 8.177 1.620 1.00 0.00 H new ATOM 549 N VAL A 161 50.537 8.220 -1.884 1.00 0.00 N ATOM 550 CA VAL A 161 50.286 6.963 -2.597 1.00 0.00 C ATOM 551 C VAL A 161 50.532 7.135 -4.095 1.00 0.00 C ATOM 552 O VAL A 161 51.373 6.454 -4.676 1.00 0.00 O ATOM 553 CB VAL A 161 48.833 6.505 -2.391 1.00 0.00 C ATOM 554 CG1 VAL A 161 48.685 5.053 -2.858 1.00 0.00 C ATOM 555 CG2 VAL A 161 48.443 6.596 -0.911 1.00 0.00 C ATOM 0 H VAL A 161 49.741 8.566 -1.348 1.00 0.00 H new ATOM 0 HA VAL A 161 50.969 6.215 -2.195 1.00 0.00 H new ATOM 0 HB VAL A 161 48.178 7.155 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 161 47.655 4.727 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 161 48.942 4.983 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 161 49.353 4.415 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 161 47.411 6.268 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 161 49.101 5.958 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 161 48.539 7.628 -0.572 1.00 0.00 H new ATOM 565 N ALA A 162 49.842 8.107 -4.699 1.00 0.00 N ATOM 566 CA ALA A 162 49.923 8.308 -6.147 1.00 0.00 C ATOM 567 C ALA A 162 51.365 8.602 -6.546 1.00 0.00 C ATOM 568 O ALA A 162 51.952 7.904 -7.377 1.00 0.00 O ATOM 569 CB ALA A 162 49.038 9.488 -6.556 1.00 0.00 C ATOM 0 H ALA A 162 49.228 8.760 -4.213 1.00 0.00 H new ATOM 0 HA ALA A 162 49.581 7.404 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 162 49.101 9.634 -7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 162 48.005 9.281 -6.278 1.00 0.00 H new ATOM 0 HB3 ALA A 162 49.377 10.390 -6.047 1.00 0.00 H new ATOM 575 N LYS A 163 51.974 9.529 -5.805 1.00 0.00 N ATOM 576 CA LYS A 163 53.351 9.943 -6.081 1.00 0.00 C ATOM 577 C LYS A 163 54.281 8.726 -6.092 1.00 0.00 C ATOM 578 O LYS A 163 54.907 8.427 -7.109 1.00 0.00 O ATOM 579 CB LYS A 163 53.822 10.937 -5.016 1.00 0.00 C ATOM 580 CG LYS A 163 52.940 12.189 -5.051 1.00 0.00 C ATOM 581 CD LYS A 163 53.220 12.981 -6.332 1.00 0.00 C ATOM 582 CE LYS A 163 52.449 14.301 -6.295 1.00 0.00 C ATOM 583 NZ LYS A 163 52.943 15.197 -7.379 1.00 0.00 N ATOM 0 H LYS A 163 51.539 10.005 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 163 53.380 10.421 -7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 163 53.777 10.476 -4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 163 54.863 11.209 -5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 163 51.888 11.906 -5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 163 53.138 12.810 -4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 163 54.289 13.174 -6.426 1.00 0.00 H new ATOM 0 HD3 LYS A 163 52.923 12.399 -7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 163 51.382 14.115 -6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 163 52.577 14.782 -5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 52.418 16.095 -7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 53.956 15.384 -7.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 52.799 14.738 -8.301 1.00 0.00 H new ATOM 597 N LEU A 164 54.203 7.923 -5.030 1.00 0.00 N ATOM 598 CA LEU A 164 55.055 6.746 -4.893 1.00 0.00 C ATOM 599 C LEU A 164 54.829 5.752 -6.031 1.00 0.00 C ATOM 600 O LEU A 164 55.773 5.147 -6.519 1.00 0.00 O ATOM 601 CB LEU A 164 54.767 6.054 -3.558 1.00 0.00 C ATOM 602 CG LEU A 164 55.281 6.919 -2.405 1.00 0.00 C ATOM 603 CD1 LEU A 164 54.773 6.352 -1.078 1.00 0.00 C ATOM 604 CD2 LEU A 164 56.813 6.912 -2.403 1.00 0.00 C ATOM 0 H LEU A 164 53.558 8.068 -4.253 1.00 0.00 H new ATOM 0 HA LEU A 164 56.092 7.080 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 164 53.696 5.885 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 164 55.248 5.076 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 164 54.920 7.940 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 164 55.138 6.967 -0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 164 53.683 6.353 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 164 55.135 5.331 -0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 164 57.179 7.528 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 164 57.172 5.890 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 164 57.180 7.312 -3.348 1.00 0.00 H new ATOM 616 N ILE A 165 53.578 5.622 -6.477 1.00 0.00 N ATOM 617 CA ILE A 165 53.226 4.591 -7.455 1.00 0.00 C ATOM 618 C ILE A 165 53.986 4.815 -8.765 1.00 0.00 C ATOM 619 O ILE A 165 54.509 3.864 -9.355 1.00 0.00 O ATOM 620 CB ILE A 165 51.697 4.572 -7.667 1.00 0.00 C ATOM 621 CG1 ILE A 165 51.059 3.926 -6.430 1.00 0.00 C ATOM 622 CG2 ILE A 165 51.324 3.749 -8.912 1.00 0.00 C ATOM 623 CD1 ILE A 165 49.542 4.099 -6.461 1.00 0.00 C ATOM 0 H ILE A 165 52.800 6.211 -6.181 1.00 0.00 H new ATOM 0 HA ILE A 165 53.522 3.613 -7.076 1.00 0.00 H new ATOM 0 HB ILE A 165 51.338 5.591 -7.812 1.00 0.00 H new ATOM 0 HG12 ILE A 165 51.310 2.866 -6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 165 51.465 4.379 -5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 165 50.241 3.751 -9.039 1.00 0.00 H new ATOM 0 HG22 ILE A 165 51.794 4.188 -9.792 1.00 0.00 H new ATOM 0 HG23 ILE A 165 51.672 2.724 -8.788 1.00 0.00 H new ATOM 0 HD11 ILE A 165 49.105 3.635 -5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 165 49.297 5.161 -6.472 1.00 0.00 H new ATOM 0 HD13 ILE A 165 49.140 3.624 -7.356 1.00 0.00 H new ATOM 635 N GLY A 166 54.143 6.077 -9.161 1.00 0.00 N ATOM 636 CA GLY A 166 54.952 6.388 -10.334 1.00 0.00 C ATOM 637 C GLY A 166 56.420 6.154 -10.003 1.00 0.00 C ATOM 638 O GLY A 166 57.138 5.450 -10.721 1.00 0.00 O ATOM 0 H GLY A 166 53.729 6.885 -8.696 1.00 0.00 H new ATOM 0 HA2 GLY A 166 54.652 5.762 -11.175 1.00 0.00 H new ATOM 0 HA3 GLY A 166 54.795 7.424 -10.635 1.00 0.00 H new ATOM 642 N TYR A 167 56.841 6.738 -8.884 1.00 0.00 N ATOM 643 CA TYR A 167 58.193 6.553 -8.362 1.00 0.00 C ATOM 644 C TYR A 167 58.491 5.086 -8.026 1.00 0.00 C ATOM 645 O TYR A 167 59.647 4.712 -7.854 1.00 0.00 O ATOM 646 CB TYR A 167 58.355 7.451 -7.125 1.00 0.00 C ATOM 647 CG TYR A 167 59.733 7.503 -6.521 1.00 0.00 C ATOM 648 CD1 TYR A 167 60.785 8.143 -7.217 1.00 0.00 C ATOM 649 CD2 TYR A 167 59.955 6.976 -5.226 1.00 0.00 C ATOM 650 CE1 TYR A 167 62.065 8.244 -6.627 1.00 0.00 C ATOM 651 CE2 TYR A 167 61.236 7.073 -4.634 1.00 0.00 C ATOM 652 CZ TYR A 167 62.295 7.707 -5.336 1.00 0.00 C ATOM 653 OH TYR A 167 63.550 7.800 -4.767 1.00 0.00 O ATOM 0 H TYR A 167 56.257 7.351 -8.315 1.00 0.00 H new ATOM 0 HA TYR A 167 58.914 6.836 -9.129 1.00 0.00 H new ATOM 0 HB2 TYR A 167 58.061 8.465 -7.396 1.00 0.00 H new ATOM 0 HB3 TYR A 167 57.657 7.110 -6.360 1.00 0.00 H new ATOM 0 HD1 TYR A 167 60.610 8.555 -8.200 1.00 0.00 H new ATOM 0 HD2 TYR A 167 59.147 6.500 -4.690 1.00 0.00 H new ATOM 0 HE1 TYR A 167 62.868 8.731 -7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 167 61.408 6.665 -3.649 1.00 0.00 H new ATOM 0 HH TYR A 167 63.848 8.733 -4.783 1.00 0.00 H new ATOM 663 N LYS A 168 57.442 4.274 -7.889 1.00 0.00 N ATOM 664 CA LYS A 168 57.608 2.837 -7.659 1.00 0.00 C ATOM 665 C LYS A 168 58.019 2.104 -8.939 1.00 0.00 C ATOM 666 O LYS A 168 58.962 1.311 -8.934 1.00 0.00 O ATOM 667 CB LYS A 168 56.294 2.251 -7.129 1.00 0.00 C ATOM 668 CG LYS A 168 56.241 2.394 -5.596 1.00 0.00 C ATOM 669 CD LYS A 168 54.837 2.053 -5.056 1.00 0.00 C ATOM 670 CE LYS A 168 54.357 0.686 -5.566 1.00 0.00 C ATOM 671 NZ LYS A 168 53.221 0.878 -6.510 1.00 0.00 N ATOM 0 H LYS A 168 56.471 4.585 -7.933 1.00 0.00 H new ATOM 0 HA LYS A 168 58.403 2.701 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 168 55.447 2.766 -7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 168 56.214 1.200 -7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 168 56.980 1.735 -5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 168 56.506 3.413 -5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 168 54.855 2.050 -3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 168 54.131 2.825 -5.361 1.00 0.00 H new ATOM 0 HE2 LYS A 168 55.174 0.165 -6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 168 54.046 0.062 -4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 52.985 -0.030 -6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 52.393 1.233 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 53.491 1.565 -7.242 1.00 0.00 H new ATOM 685 N GLN A 169 57.305 2.380 -10.030 1.00 0.00 N ATOM 686 CA GLN A 169 57.409 1.547 -11.232 1.00 0.00 C ATOM 687 C GLN A 169 58.729 1.767 -11.988 1.00 0.00 C ATOM 688 O GLN A 169 59.423 0.807 -12.325 1.00 0.00 O ATOM 689 CB GLN A 169 56.237 1.847 -12.168 1.00 0.00 C ATOM 690 CG GLN A 169 54.931 1.400 -11.510 1.00 0.00 C ATOM 691 CD GLN A 169 53.757 1.655 -12.450 1.00 0.00 C ATOM 692 OE1 GLN A 169 53.885 1.491 -13.663 1.00 0.00 O ATOM 693 NE2 GLN A 169 52.614 2.050 -11.960 1.00 0.00 N ATOM 0 H GLN A 169 56.656 3.163 -10.109 1.00 0.00 H new ATOM 0 HA GLN A 169 57.384 0.507 -10.907 1.00 0.00 H new ATOM 0 HB2 GLN A 169 56.199 2.914 -12.389 1.00 0.00 H new ATOM 0 HB3 GLN A 169 56.374 1.329 -13.117 1.00 0.00 H new ATOM 0 HG2 GLN A 169 54.984 0.340 -11.261 1.00 0.00 H new ATOM 0 HG3 GLN A 169 54.782 1.940 -10.575 1.00 0.00 H new ATOM 0 HE21 GLN A 169 52.510 2.185 -10.954 1.00 0.00 H new ATOM 0 HE22 GLN A 169 51.825 2.223 -12.583 1.00 0.00 H new ATOM 702 N ASN A 170 59.067 3.033 -12.245 1.00 0.00 N ATOM 703 CA ASN A 170 60.148 3.348 -13.198 1.00 0.00 C ATOM 704 C ASN A 170 61.510 3.650 -12.534 1.00 0.00 C ATOM 705 O ASN A 170 62.544 3.218 -13.045 1.00 0.00 O ATOM 706 CB ASN A 170 59.735 4.551 -14.047 1.00 0.00 C ATOM 707 CG ASN A 170 60.600 4.627 -15.302 1.00 0.00 C ATOM 708 OD1 ASN A 170 61.380 5.564 -15.464 1.00 0.00 O ATOM 709 ND2 ASN A 170 60.506 3.689 -16.203 1.00 0.00 N ATOM 0 H ASN A 170 58.622 3.846 -11.819 1.00 0.00 H new ATOM 0 HA ASN A 170 60.289 2.453 -13.804 1.00 0.00 H new ATOM 0 HB2 ASN A 170 58.684 4.467 -14.324 1.00 0.00 H new ATOM 0 HB3 ASN A 170 59.839 5.468 -13.468 1.00 0.00 H new ATOM 0 HD21 ASN A 170 61.080 3.731 -17.045 1.00 0.00 H new ATOM 0 HD22 ASN A 170 59.858 2.913 -16.066 1.00 0.00 H new ATOM 716 N PRO A 171 61.543 4.354 -11.421 1.00 0.00 N ATOM 717 CA PRO A 171 62.806 4.969 -10.916 1.00 0.00 C ATOM 718 C PRO A 171 63.470 4.196 -9.778 1.00 0.00 C ATOM 719 O PRO A 171 63.128 4.369 -8.609 1.00 0.00 O ATOM 720 CB PRO A 171 62.381 6.358 -10.464 1.00 0.00 C ATOM 721 CG PRO A 171 60.961 6.222 -10.054 1.00 0.00 C ATOM 722 CD PRO A 171 60.397 4.956 -10.720 1.00 0.00 C ATOM 0 HA PRO A 171 63.569 4.974 -11.694 1.00 0.00 H new ATOM 0 HB2 PRO A 171 62.997 6.707 -9.636 1.00 0.00 H new ATOM 0 HB3 PRO A 171 62.489 7.084 -11.270 1.00 0.00 H new ATOM 0 HG2 PRO A 171 60.882 6.150 -8.969 1.00 0.00 H new ATOM 0 HG3 PRO A 171 60.390 7.100 -10.358 1.00 0.00 H new ATOM 0 HD2 PRO A 171 59.983 4.271 -9.980 1.00 0.00 H new ATOM 0 HD3 PRO A 171 59.593 5.200 -11.414 1.00 0.00 H new ATOM 730 N GLN A 172 64.462 3.370 -10.126 1.00 0.00 N ATOM 731 CA GLN A 172 65.276 2.650 -9.122 1.00 0.00 C ATOM 732 C GLN A 172 65.766 3.562 -7.969 1.00 0.00 C ATOM 733 O GLN A 172 66.178 3.070 -6.915 1.00 0.00 O ATOM 734 CB GLN A 172 66.489 2.008 -9.802 1.00 0.00 C ATOM 735 CG GLN A 172 66.018 0.996 -10.850 1.00 0.00 C ATOM 736 CD GLN A 172 65.400 -0.220 -10.166 1.00 0.00 C ATOM 737 OE1 GLN A 172 65.936 -0.713 -9.173 1.00 0.00 O ATOM 738 NE2 GLN A 172 64.298 -0.733 -10.640 1.00 0.00 N ATOM 0 H GLN A 172 64.726 3.179 -11.092 1.00 0.00 H new ATOM 0 HA GLN A 172 64.629 1.890 -8.683 1.00 0.00 H new ATOM 0 HB2 GLN A 172 67.102 2.776 -10.274 1.00 0.00 H new ATOM 0 HB3 GLN A 172 67.114 1.513 -9.059 1.00 0.00 H new ATOM 0 HG2 GLN A 172 65.287 1.460 -11.512 1.00 0.00 H new ATOM 0 HG3 GLN A 172 66.859 0.686 -11.470 1.00 0.00 H new ATOM 0 HE21 GLN A 172 63.857 -0.322 -11.463 1.00 0.00 H new ATOM 0 HE22 GLN A 172 63.878 -1.545 -10.188 1.00 0.00 H new ATOM 747 N ALA A 173 65.646 4.884 -8.142 1.00 0.00 N ATOM 748 CA ALA A 173 66.159 5.847 -7.170 1.00 0.00 C ATOM 749 C ALA A 173 65.522 5.674 -5.776 1.00 0.00 C ATOM 750 O ALA A 173 65.998 6.265 -4.808 1.00 0.00 O ATOM 751 CB ALA A 173 65.862 7.260 -7.669 1.00 0.00 C ATOM 0 H ALA A 173 65.195 5.309 -8.952 1.00 0.00 H new ATOM 0 HA ALA A 173 67.231 5.675 -7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 173 66.241 7.987 -6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 173 66.348 7.415 -8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 173 64.785 7.388 -7.781 1.00 0.00 H new ATOM 757 N ILE A 174 64.480 4.829 -5.658 1.00 0.00 N ATOM 758 CA ILE A 174 63.728 4.725 -4.401 1.00 0.00 C ATOM 759 C ILE A 174 64.647 4.324 -3.243 1.00 0.00 C ATOM 760 O ILE A 174 64.407 4.700 -2.097 1.00 0.00 O ATOM 761 CB ILE A 174 62.601 3.687 -4.525 1.00 0.00 C ATOM 762 CG1 ILE A 174 61.758 3.992 -5.784 1.00 0.00 C ATOM 763 CG2 ILE A 174 61.724 3.746 -3.262 1.00 0.00 C ATOM 764 CD1 ILE A 174 60.512 3.105 -5.847 1.00 0.00 C ATOM 0 H ILE A 174 64.147 4.220 -6.405 1.00 0.00 H new ATOM 0 HA ILE A 174 63.299 5.706 -4.196 1.00 0.00 H new ATOM 0 HB ILE A 174 63.021 2.686 -4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 174 61.461 5.041 -5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 174 62.364 3.836 -6.677 1.00 0.00 H new ATOM 0 HG21 ILE A 174 60.922 3.013 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 174 62.333 3.524 -2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 174 61.295 4.743 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 174 59.940 3.344 -6.744 1.00 0.00 H new ATOM 0 HD12 ILE A 174 60.812 2.058 -5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 174 59.895 3.281 -4.966 1.00 0.00 H new ATOM 776 N GLY A 175 65.714 3.580 -3.559 1.00 0.00 N ATOM 777 CA GLY A 175 66.613 3.057 -2.528 1.00 0.00 C ATOM 778 C GLY A 175 67.168 4.178 -1.644 1.00 0.00 C ATOM 779 O GLY A 175 67.473 3.960 -0.470 1.00 0.00 O ATOM 0 H GLY A 175 65.973 3.329 -4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 175 66.078 2.336 -1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 175 67.438 2.523 -3.000 1.00 0.00 H new ATOM 783 N GLN A 176 67.294 5.378 -2.217 1.00 0.00 N ATOM 784 CA GLN A 176 67.832 6.521 -1.487 1.00 0.00 C ATOM 785 C GLN A 176 66.733 7.261 -0.726 1.00 0.00 C ATOM 786 O GLN A 176 66.984 7.834 0.336 1.00 0.00 O ATOM 787 CB GLN A 176 68.510 7.486 -2.462 1.00 0.00 C ATOM 788 CG GLN A 176 69.665 6.773 -3.172 1.00 0.00 C ATOM 789 CD GLN A 176 70.813 6.536 -2.196 1.00 0.00 C ATOM 790 OE1 GLN A 176 70.736 5.647 -1.349 1.00 0.00 O ATOM 791 NE2 GLN A 176 71.881 7.284 -2.266 1.00 0.00 N ATOM 0 H GLN A 176 67.031 5.579 -3.182 1.00 0.00 H new ATOM 0 HA GLN A 176 68.559 6.147 -0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 176 67.787 7.847 -3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 176 68.883 8.358 -1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 176 69.321 5.822 -3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 176 70.011 7.373 -4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 176 71.943 8.020 -2.969 1.00 0.00 H new ATOM 0 HE22 GLN A 176 72.654 7.132 -1.618 1.00 0.00 H new ATOM 800 N ASP A 177 65.520 7.244 -1.277 1.00 0.00 N ATOM 801 CA ASP A 177 64.430 8.024 -0.707 1.00 0.00 C ATOM 802 C ASP A 177 63.884 7.371 0.559 1.00 0.00 C ATOM 803 O ASP A 177 63.221 8.037 1.352 1.00 0.00 O ATOM 804 CB ASP A 177 63.301 8.240 -1.727 1.00 0.00 C ATOM 805 CG ASP A 177 63.527 9.528 -2.535 1.00 0.00 C ATOM 806 OD1 ASP A 177 64.410 10.296 -2.180 1.00 0.00 O ATOM 807 OD2 ASP A 177 62.787 9.745 -3.480 1.00 0.00 O ATOM 0 H ASP A 177 65.272 6.705 -2.107 1.00 0.00 H new ATOM 0 HA ASP A 177 64.838 8.999 -0.440 1.00 0.00 H new ATOM 0 HB2 ASP A 177 63.249 7.387 -2.403 1.00 0.00 H new ATOM 0 HB3 ASP A 177 62.344 8.295 -1.209 1.00 0.00 H new ATOM 812 N LEU A 178 64.136 6.066 0.753 1.00 0.00 N ATOM 813 CA LEU A 178 63.744 5.412 2.009 1.00 0.00 C ATOM 814 C LEU A 178 64.335 6.189 3.197 1.00 0.00 C ATOM 815 O LEU A 178 63.662 6.449 4.193 1.00 0.00 O ATOM 816 CB LEU A 178 64.258 3.960 2.077 1.00 0.00 C ATOM 817 CG LEU A 178 63.962 3.159 0.797 1.00 0.00 C ATOM 818 CD1 LEU A 178 64.725 1.837 0.874 1.00 0.00 C ATOM 819 CD2 LEU A 178 62.466 2.845 0.689 1.00 0.00 C ATOM 0 H LEU A 178 64.597 5.458 0.076 1.00 0.00 H new ATOM 0 HA LEU A 178 62.655 5.402 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 178 65.334 3.969 2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 178 63.799 3.457 2.928 1.00 0.00 H new ATOM 0 HG LEU A 178 64.266 3.746 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 178 64.530 1.251 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 178 65.794 2.038 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 178 64.396 1.278 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 178 62.278 2.278 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 178 62.154 2.257 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 178 61.900 3.776 0.661 1.00 0.00 H new ATOM 831 N PHE A 179 65.615 6.545 3.058 1.00 0.00 N ATOM 832 CA PHE A 179 66.312 7.374 4.044 1.00 0.00 C ATOM 833 C PHE A 179 65.529 8.658 4.361 1.00 0.00 C ATOM 834 O PHE A 179 65.548 9.140 5.494 1.00 0.00 O ATOM 835 CB PHE A 179 67.696 7.740 3.513 1.00 0.00 C ATOM 836 CG PHE A 179 68.643 6.565 3.440 1.00 0.00 C ATOM 837 CD1 PHE A 179 69.386 6.182 4.584 1.00 0.00 C ATOM 838 CD2 PHE A 179 68.788 5.846 2.229 1.00 0.00 C ATOM 839 CE1 PHE A 179 70.273 5.080 4.516 1.00 0.00 C ATOM 840 CE2 PHE A 179 69.676 4.744 2.161 1.00 0.00 C ATOM 841 CZ PHE A 179 70.418 4.362 3.305 1.00 0.00 C ATOM 0 H PHE A 179 66.194 6.269 2.265 1.00 0.00 H new ATOM 0 HA PHE A 179 66.401 6.798 4.965 1.00 0.00 H new ATOM 0 HB2 PHE A 179 67.592 8.175 2.519 1.00 0.00 H new ATOM 0 HB3 PHE A 179 68.131 8.508 4.153 1.00 0.00 H new ATOM 0 HD1 PHE A 179 69.276 6.730 5.508 1.00 0.00 H new ATOM 0 HD2 PHE A 179 68.222 6.138 1.357 1.00 0.00 H new ATOM 0 HE1 PHE A 179 70.839 4.788 5.388 1.00 0.00 H new ATOM 0 HE2 PHE A 179 69.787 4.196 1.237 1.00 0.00 H new ATOM 0 HZ PHE A 179 71.095 3.522 3.253 1.00 0.00 H new ATOM 851 N THR A 180 64.847 9.198 3.352 1.00 0.00 N ATOM 852 CA THR A 180 64.059 10.426 3.530 1.00 0.00 C ATOM 853 C THR A 180 62.616 10.105 3.948 1.00 0.00 C ATOM 854 O THR A 180 61.956 10.919 4.596 1.00 0.00 O ATOM 855 CB THR A 180 64.044 11.242 2.230 1.00 0.00 C ATOM 856 OG1 THR A 180 63.275 10.559 1.250 1.00 0.00 O ATOM 857 CG2 THR A 180 65.474 11.435 1.716 1.00 0.00 C ATOM 0 H THR A 180 64.821 8.812 2.408 1.00 0.00 H new ATOM 0 HA THR A 180 64.529 11.009 4.322 1.00 0.00 H new ATOM 0 HB THR A 180 63.601 12.218 2.427 1.00 0.00 H new ATOM 0 HG1 THR A 180 63.402 9.592 1.350 1.00 0.00 H new ATOM 0 HG21 THR A 180 65.454 12.015 0.793 1.00 0.00 H new ATOM 0 HG22 THR A 180 66.061 11.966 2.465 1.00 0.00 H new ATOM 0 HG23 THR A 180 65.926 10.462 1.523 1.00 0.00 H new ATOM 865 N ASP A 181 62.139 8.916 3.573 1.00 0.00 N ATOM 866 CA ASP A 181 60.763 8.516 3.867 1.00 0.00 C ATOM 867 C ASP A 181 60.735 7.437 4.956 1.00 0.00 C ATOM 868 O ASP A 181 61.189 6.315 4.721 1.00 0.00 O ATOM 869 CB ASP A 181 60.084 7.985 2.601 1.00 0.00 C ATOM 870 CG ASP A 181 58.569 8.224 2.650 1.00 0.00 C ATOM 871 OD1 ASP A 181 58.115 8.935 3.534 1.00 0.00 O ATOM 872 OD2 ASP A 181 57.882 7.688 1.798 1.00 0.00 O ATOM 0 H ASP A 181 62.683 8.217 3.067 1.00 0.00 H new ATOM 0 HA ASP A 181 60.223 9.392 4.225 1.00 0.00 H new ATOM 0 HB2 ASP A 181 60.505 8.477 1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 181 60.285 6.919 2.496 1.00 0.00 H new ATOM 877 N PRO A 182 60.181 7.728 6.117 1.00 0.00 N ATOM 878 CA PRO A 182 60.210 6.761 7.259 1.00 0.00 C ATOM 879 C PRO A 182 59.404 5.494 6.971 1.00 0.00 C ATOM 880 O PRO A 182 59.930 4.384 7.069 1.00 0.00 O ATOM 881 CB PRO A 182 59.606 7.542 8.431 1.00 0.00 C ATOM 882 CG PRO A 182 58.781 8.615 7.810 1.00 0.00 C ATOM 883 CD PRO A 182 59.453 8.960 6.484 1.00 0.00 C ATOM 0 HA PRO A 182 61.222 6.409 7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 182 58.997 6.894 9.062 1.00 0.00 H new ATOM 0 HB3 PRO A 182 60.386 7.964 9.065 1.00 0.00 H new ATOM 0 HG2 PRO A 182 57.758 8.275 7.650 1.00 0.00 H new ATOM 0 HG3 PRO A 182 58.729 9.490 8.458 1.00 0.00 H new ATOM 0 HD2 PRO A 182 58.720 9.231 5.724 1.00 0.00 H new ATOM 0 HD3 PRO A 182 60.131 9.807 6.589 1.00 0.00 H new ATOM 891 N ARG A 183 58.130 5.666 6.614 1.00 0.00 N ATOM 892 CA ARG A 183 57.226 4.525 6.468 1.00 0.00 C ATOM 893 C ARG A 183 57.653 3.599 5.329 1.00 0.00 C ATOM 894 O ARG A 183 57.538 2.382 5.460 1.00 0.00 O ATOM 895 CB ARG A 183 55.787 4.992 6.237 1.00 0.00 C ATOM 896 CG ARG A 183 55.347 5.879 7.406 1.00 0.00 C ATOM 897 CD ARG A 183 53.853 6.188 7.284 1.00 0.00 C ATOM 898 NE ARG A 183 53.252 6.357 8.607 1.00 0.00 N ATOM 899 CZ ARG A 183 53.503 7.422 9.383 1.00 0.00 C ATOM 900 NH1 ARG A 183 54.327 8.368 9.000 1.00 0.00 N ATOM 901 NH2 ARG A 183 52.908 7.519 10.539 1.00 0.00 N ATOM 0 H ARG A 183 57.705 6.573 6.423 1.00 0.00 H new ATOM 0 HA ARG A 183 57.276 3.963 7.401 1.00 0.00 H new ATOM 0 HB2 ARG A 183 55.718 5.545 5.300 1.00 0.00 H new ATOM 0 HB3 ARG A 183 55.123 4.132 6.149 1.00 0.00 H new ATOM 0 HG2 ARG A 183 55.548 5.377 8.352 1.00 0.00 H new ATOM 0 HG3 ARG A 183 55.921 6.806 7.408 1.00 0.00 H new ATOM 0 HD2 ARG A 183 53.711 7.094 6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 183 53.351 5.380 6.751 1.00 0.00 H new ATOM 0 HE ARG A 183 52.618 5.637 8.953 1.00 0.00 H new ATOM 0 HH11 ARG A 183 54.793 8.303 8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 183 54.502 9.169 9.607 1.00 0.00 H new ATOM 0 HH21 ARG A 183 52.262 6.791 10.843 1.00 0.00 H new ATOM 0 HH22 ARG A 183 53.089 8.323 11.140 1.00 0.00 H new ATOM 915 N LEU A 184 58.205 4.160 4.241 1.00 0.00 N ATOM 916 CA LEU A 184 58.628 3.337 3.090 1.00 0.00 C ATOM 917 C LEU A 184 59.515 2.177 3.554 1.00 0.00 C ATOM 918 O LEU A 184 59.407 1.057 3.052 1.00 0.00 O ATOM 919 CB LEU A 184 59.404 4.183 2.062 1.00 0.00 C ATOM 920 CG LEU A 184 58.435 4.851 1.076 1.00 0.00 C ATOM 921 CD1 LEU A 184 59.207 5.830 0.182 1.00 0.00 C ATOM 922 CD2 LEU A 184 57.777 3.784 0.191 1.00 0.00 C ATOM 0 H LEU A 184 58.368 5.161 4.132 1.00 0.00 H new ATOM 0 HA LEU A 184 57.727 2.942 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 184 59.991 4.944 2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 184 60.107 3.552 1.519 1.00 0.00 H new ATOM 0 HG LEU A 184 57.669 5.386 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 184 58.519 6.304 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 184 59.678 6.594 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 184 59.973 5.289 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 184 57.090 4.263 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 184 58.546 3.249 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 184 57.227 3.081 0.817 1.00 0.00 H new ATOM 934 N MET A 185 60.339 2.443 4.566 1.00 0.00 N ATOM 935 CA MET A 185 61.217 1.415 5.109 1.00 0.00 C ATOM 936 C MET A 185 60.409 0.310 5.794 1.00 0.00 C ATOM 937 O MET A 185 60.620 -0.867 5.526 1.00 0.00 O ATOM 938 CB MET A 185 62.207 2.032 6.092 1.00 0.00 C ATOM 939 CG MET A 185 63.237 2.855 5.321 1.00 0.00 C ATOM 940 SD MET A 185 64.556 3.378 6.443 1.00 0.00 S ATOM 941 CE MET A 185 65.796 3.737 5.174 1.00 0.00 C ATOM 0 H MET A 185 60.415 3.353 5.021 1.00 0.00 H new ATOM 0 HA MET A 185 61.770 0.969 4.283 1.00 0.00 H new ATOM 0 HB2 MET A 185 61.681 2.664 6.807 1.00 0.00 H new ATOM 0 HB3 MET A 185 62.705 1.249 6.664 1.00 0.00 H new ATOM 0 HG2 MET A 185 63.653 2.264 4.505 1.00 0.00 H new ATOM 0 HG3 MET A 185 62.760 3.726 4.873 1.00 0.00 H new ATOM 0 HE1 MET A 185 66.793 3.579 5.585 1.00 0.00 H new ATOM 0 HE2 MET A 185 65.646 3.075 4.321 1.00 0.00 H new ATOM 0 HE3 MET A 185 65.697 4.773 4.851 1.00 0.00 H new ATOM 951 N THR A 186 59.391 0.692 6.571 1.00 0.00 N ATOM 952 CA THR A 186 58.567 -0.293 7.290 1.00 0.00 C ATOM 953 C THR A 186 57.899 -1.252 6.293 1.00 0.00 C ATOM 954 O THR A 186 57.790 -2.456 6.541 1.00 0.00 O ATOM 955 CB THR A 186 57.500 0.439 8.122 1.00 0.00 C ATOM 956 OG1 THR A 186 58.139 1.377 8.977 1.00 0.00 O ATOM 957 CG2 THR A 186 56.704 -0.560 8.971 1.00 0.00 C ATOM 0 H THR A 186 59.117 1.663 6.719 1.00 0.00 H new ATOM 0 HA THR A 186 59.203 -0.875 7.957 1.00 0.00 H new ATOM 0 HB THR A 186 56.814 0.952 7.447 1.00 0.00 H new ATOM 0 HG1 THR A 186 57.464 1.848 9.509 1.00 0.00 H new ATOM 0 HG21 THR A 186 55.953 -0.026 9.553 1.00 0.00 H new ATOM 0 HG22 THR A 186 56.211 -1.281 8.318 1.00 0.00 H new ATOM 0 HG23 THR A 186 57.381 -1.085 9.645 1.00 0.00 H new ATOM 965 N ILE A 187 57.486 -0.700 5.151 1.00 0.00 N ATOM 966 CA ILE A 187 56.954 -1.507 4.044 1.00 0.00 C ATOM 967 C ILE A 187 57.976 -2.576 3.637 1.00 0.00 C ATOM 968 O ILE A 187 57.640 -3.748 3.450 1.00 0.00 O ATOM 969 CB ILE A 187 56.655 -0.606 2.827 1.00 0.00 C ATOM 970 CG1 ILE A 187 55.748 0.566 3.229 1.00 0.00 C ATOM 971 CG2 ILE A 187 55.936 -1.418 1.750 1.00 0.00 C ATOM 972 CD1 ILE A 187 55.667 1.577 2.080 1.00 0.00 C ATOM 0 H ILE A 187 57.508 0.303 4.965 1.00 0.00 H new ATOM 0 HA ILE A 187 56.034 -1.988 4.375 1.00 0.00 H new ATOM 0 HB ILE A 187 57.603 -0.222 2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 187 54.751 0.199 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 187 56.138 1.050 4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 187 55.726 -0.779 0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 187 56.569 -2.249 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 187 55.000 -1.806 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 187 55.022 2.407 2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 187 56.665 1.954 1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 187 55.256 1.090 1.195 1.00 0.00 H new ATOM 984 N MET A 188 59.229 -2.150 3.537 1.00 0.00 N ATOM 985 CA MET A 188 60.317 -3.044 3.146 1.00 0.00 C ATOM 986 C MET A 188 60.446 -4.207 4.130 1.00 0.00 C ATOM 987 O MET A 188 60.635 -5.352 3.734 1.00 0.00 O ATOM 988 CB MET A 188 61.632 -2.272 3.113 1.00 0.00 C ATOM 989 CG MET A 188 61.504 -1.042 2.194 1.00 0.00 C ATOM 990 SD MET A 188 62.648 -1.170 0.798 1.00 0.00 S ATOM 991 CE MET A 188 61.530 -2.038 -0.331 1.00 0.00 C ATOM 0 H MET A 188 59.519 -1.190 3.721 1.00 0.00 H new ATOM 0 HA MET A 188 60.092 -3.441 2.156 1.00 0.00 H new ATOM 0 HB2 MET A 188 61.902 -1.956 4.121 1.00 0.00 H new ATOM 0 HB3 MET A 188 62.433 -2.919 2.757 1.00 0.00 H new ATOM 0 HG2 MET A 188 60.481 -0.960 1.827 1.00 0.00 H new ATOM 0 HG3 MET A 188 61.713 -0.134 2.760 1.00 0.00 H new ATOM 0 HE1 MET A 188 61.625 -1.618 -1.332 1.00 0.00 H new ATOM 0 HE2 MET A 188 61.788 -3.097 -0.356 1.00 0.00 H new ATOM 0 HE3 MET A 188 60.503 -1.923 0.014 1.00 0.00 H new ATOM 1001 N ALA A 189 60.338 -3.888 5.417 1.00 0.00 N ATOM 1002 CA ALA A 189 60.426 -4.893 6.487 1.00 0.00 C ATOM 1003 C ALA A 189 59.440 -6.051 6.280 1.00 0.00 C ATOM 1004 O ALA A 189 59.844 -7.210 6.231 1.00 0.00 O ATOM 1005 CB ALA A 189 60.146 -4.231 7.838 1.00 0.00 C ATOM 0 H ALA A 189 60.188 -2.936 5.752 1.00 0.00 H new ATOM 0 HA ALA A 189 61.435 -5.305 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 189 60.212 -4.977 8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 189 60.881 -3.446 8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 189 59.146 -3.797 7.830 1.00 0.00 H new ATOM 1011 N THR A 190 58.151 -5.731 6.116 1.00 0.00 N ATOM 1012 CA THR A 190 57.123 -6.770 5.914 1.00 0.00 C ATOM 1013 C THR A 190 57.492 -7.680 4.735 1.00 0.00 C ATOM 1014 O THR A 190 57.414 -8.906 4.832 1.00 0.00 O ATOM 1015 CB THR A 190 55.758 -6.116 5.625 1.00 0.00 C ATOM 1016 OG1 THR A 190 55.957 -4.872 4.970 1.00 0.00 O ATOM 1017 CG2 THR A 190 54.981 -5.888 6.923 1.00 0.00 C ATOM 0 H THR A 190 57.794 -4.776 6.118 1.00 0.00 H new ATOM 0 HA THR A 190 57.066 -7.366 6.825 1.00 0.00 H new ATOM 0 HB THR A 190 55.181 -6.784 4.986 1.00 0.00 H new ATOM 0 HG1 THR A 190 56.605 -4.985 4.244 1.00 0.00 H new ATOM 0 HG21 THR A 190 54.021 -5.425 6.696 1.00 0.00 H new ATOM 0 HG22 THR A 190 54.815 -6.844 7.420 1.00 0.00 H new ATOM 0 HG23 THR A 190 55.553 -5.232 7.579 1.00 0.00 H new ATOM 1025 N LEU A 191 57.891 -7.058 3.631 1.00 0.00 N ATOM 1026 CA LEU A 191 58.268 -7.798 2.422 1.00 0.00 C ATOM 1027 C LEU A 191 59.447 -8.741 2.682 1.00 0.00 C ATOM 1028 O LEU A 191 59.362 -9.944 2.429 1.00 0.00 O ATOM 1029 CB LEU A 191 58.652 -6.806 1.326 1.00 0.00 C ATOM 1030 CG LEU A 191 57.396 -6.101 0.808 1.00 0.00 C ATOM 1031 CD1 LEU A 191 57.760 -4.691 0.333 1.00 0.00 C ATOM 1032 CD2 LEU A 191 56.811 -6.902 -0.356 1.00 0.00 C ATOM 0 H LEU A 191 57.963 -6.044 3.544 1.00 0.00 H new ATOM 0 HA LEU A 191 57.414 -8.400 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 191 59.358 -6.073 1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 191 59.152 -7.327 0.509 1.00 0.00 H new ATOM 0 HG LEU A 191 56.659 -6.031 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 191 56.866 -4.189 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 191 58.178 -4.123 1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 191 58.496 -4.756 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 191 55.916 -6.403 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 191 57.547 -6.971 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 191 56.552 -7.904 -0.014 1.00 0.00 H new ATOM 1044 N MET A 192 60.539 -8.178 3.186 1.00 0.00 N ATOM 1045 CA MET A 192 61.775 -8.931 3.392 1.00 0.00 C ATOM 1046 C MET A 192 61.674 -9.910 4.563 1.00 0.00 C ATOM 1047 O MET A 192 62.396 -10.906 4.606 1.00 0.00 O ATOM 1048 CB MET A 192 62.915 -7.960 3.652 1.00 0.00 C ATOM 1049 CG MET A 192 63.306 -7.279 2.339 1.00 0.00 C ATOM 1050 SD MET A 192 64.404 -8.365 1.394 1.00 0.00 S ATOM 1051 CE MET A 192 65.860 -8.204 2.459 1.00 0.00 C ATOM 0 H MET A 192 60.595 -7.198 3.461 1.00 0.00 H new ATOM 0 HA MET A 192 61.958 -9.514 2.489 1.00 0.00 H new ATOM 0 HB2 MET A 192 62.612 -7.214 4.386 1.00 0.00 H new ATOM 0 HB3 MET A 192 63.771 -8.489 4.070 1.00 0.00 H new ATOM 0 HG2 MET A 192 62.414 -7.051 1.756 1.00 0.00 H new ATOM 0 HG3 MET A 192 63.804 -6.331 2.544 1.00 0.00 H new ATOM 0 HE1 MET A 192 66.764 -8.282 1.854 1.00 0.00 H new ATOM 0 HE2 MET A 192 65.840 -7.235 2.958 1.00 0.00 H new ATOM 0 HE3 MET A 192 65.854 -8.997 3.206 1.00 0.00 H new ATOM 1061 N GLY A 193 60.777 -9.624 5.502 1.00 0.00 N ATOM 1062 CA GLY A 193 60.733 -10.358 6.761 1.00 0.00 C ATOM 1063 C GLY A 193 59.918 -11.645 6.621 1.00 0.00 C ATOM 1064 O GLY A 193 59.870 -12.460 7.542 1.00 0.00 O ATOM 0 H GLY A 193 60.073 -8.891 5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 193 61.747 -10.599 7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 193 60.295 -9.730 7.537 1.00 0.00 H new