USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=14 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 -142:sc= 0.572 USER MOD Set 1.2: A 172 GLN : amide:sc= 0.448 K(o=1,f=-1.5) USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 140 ASN : amide:sc= -0.0267 K(o=-0.027,f=-0.91) USER MOD Single : A 144 ASN : amide:sc= -0.151 K(o=-0.15,f=-0.81) 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= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 150 LYS NZ :NH3+ -163:sc= -0.0206 (180deg=-0.372) USER MOD Single : A 151 THR OG1 : rot -170:sc= -0.922 USER MOD Single : A 152 SER OG : rot -94:sc= 1.34 USER MOD Single : A 154 MET CE :methyl -159:sc= -0.676 (180deg=-1.91!) USER MOD Single : A 155 MET CE :methyl 180:sc= -0.0226 (180deg=-0.0226) USER MOD Single : A 156 LYS NZ :NH3+ -173:sc= -1.06 (180deg=-1.11) USER MOD Single : A 159 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.54) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 52:sc= -1.81 USER MOD Single : A 168 LYS NZ :NH3+ -112:sc= -0.263 (180deg=-0.549) USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 ASN : amide:sc= -0.812 K(o=-0.81,f=-2.3!) USER MOD Single : A 176 GLN : amide:sc= -0.609 K(o=-0.61,f=-1.9!) USER MOD Single : A 180 THR OG1 : rot -34:sc= 1.15 USER MOD Single : A 185 MET CE :methyl -153:sc= -2.7! (180deg=-3.64!) USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 MET CE :methyl 138:sc= -5.8! (180deg=-9.56!) USER MOD Single : A 190 THR OG1 : rot 41:sc= 1.02 USER MOD Single : A 192 MET CE :methyl -131:sc= -0.247 (180deg=-1.21) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 133 63.073 -1.191 -4.880 1.00 0.00 N ATOM 92 CA THR A 133 62.063 -0.828 -5.875 1.00 0.00 C ATOM 93 C THR A 133 61.344 -2.048 -6.421 1.00 0.00 C ATOM 94 O THR A 133 60.135 -2.018 -6.594 1.00 0.00 O ATOM 95 CB THR A 133 62.727 -0.070 -7.032 1.00 0.00 C ATOM 96 OG1 THR A 133 63.581 -0.955 -7.743 1.00 0.00 O ATOM 97 CG2 THR A 133 63.548 1.110 -6.494 1.00 0.00 C ATOM 0 HA THR A 133 61.326 -0.194 -5.382 1.00 0.00 H new ATOM 0 HB THR A 133 61.953 0.313 -7.697 1.00 0.00 H new ATOM 0 HG1 THR A 133 64.391 -0.477 -8.018 1.00 0.00 H new ATOM 0 HG21 THR A 133 64.013 1.639 -7.326 1.00 0.00 H new ATOM 0 HG22 THR A 133 62.893 1.792 -5.952 1.00 0.00 H new ATOM 0 HG23 THR A 133 64.322 0.739 -5.822 1.00 0.00 H new ATOM 105 N GLN A 134 62.077 -3.137 -6.632 1.00 0.00 N ATOM 106 CA GLN A 134 61.500 -4.332 -7.255 1.00 0.00 C ATOM 107 C GLN A 134 60.243 -4.801 -6.515 1.00 0.00 C ATOM 108 O GLN A 134 59.222 -5.089 -7.144 1.00 0.00 O ATOM 109 CB GLN A 134 62.533 -5.457 -7.284 1.00 0.00 C ATOM 110 CG GLN A 134 63.670 -5.083 -8.237 1.00 0.00 C ATOM 111 CD GLN A 134 64.681 -6.223 -8.317 1.00 0.00 C ATOM 112 OE1 GLN A 134 64.303 -7.394 -8.276 1.00 0.00 O ATOM 113 NE2 GLN A 134 65.951 -5.948 -8.430 1.00 0.00 N ATOM 0 H GLN A 134 63.063 -3.221 -6.385 1.00 0.00 H new ATOM 0 HA GLN A 134 61.214 -4.071 -8.274 1.00 0.00 H new ATOM 0 HB2 GLN A 134 62.926 -5.630 -6.282 1.00 0.00 H new ATOM 0 HB3 GLN A 134 62.065 -6.387 -7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 134 63.270 -4.871 -9.228 1.00 0.00 H new ATOM 0 HG3 GLN A 134 64.162 -4.174 -7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 134 66.262 -4.977 -8.464 1.00 0.00 H new ATOM 0 HE22 GLN A 134 66.634 -6.704 -8.485 1.00 0.00 H new ATOM 122 N LEU A 135 60.292 -4.799 -5.183 1.00 0.00 N ATOM 123 CA LEU A 135 59.172 -5.305 -4.390 1.00 0.00 C ATOM 124 C LEU A 135 57.892 -4.508 -4.634 1.00 0.00 C ATOM 125 O LEU A 135 56.865 -5.078 -5.005 1.00 0.00 O ATOM 126 CB LEU A 135 59.515 -5.223 -2.912 1.00 0.00 C ATOM 127 CG LEU A 135 60.631 -6.206 -2.580 1.00 0.00 C ATOM 128 CD1 LEU A 135 61.123 -5.926 -1.163 1.00 0.00 C ATOM 129 CD2 LEU A 135 60.088 -7.632 -2.663 1.00 0.00 C ATOM 0 H LEU A 135 61.083 -4.458 -4.637 1.00 0.00 H new ATOM 0 HA LEU A 135 59.000 -6.338 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 135 59.825 -4.209 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 135 58.632 -5.446 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 135 61.454 -6.094 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 135 61.923 -6.623 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 135 61.499 -4.905 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 135 60.299 -6.050 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 135 60.883 -8.339 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 135 59.272 -7.753 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 135 59.721 -7.823 -3.671 1.00 0.00 H new ATOM 141 N PHE A 136 57.957 -3.189 -4.432 1.00 0.00 N ATOM 142 CA PHE A 136 56.816 -2.331 -4.747 1.00 0.00 C ATOM 143 C PHE A 136 56.653 -2.006 -6.232 1.00 0.00 C ATOM 144 O PHE A 136 55.523 -1.861 -6.702 1.00 0.00 O ATOM 145 CB PHE A 136 56.703 -1.096 -3.839 1.00 0.00 C ATOM 146 CG PHE A 136 57.976 -0.542 -3.257 1.00 0.00 C ATOM 147 CD1 PHE A 136 58.951 0.105 -4.048 1.00 0.00 C ATOM 148 CD2 PHE A 136 58.149 -0.640 -1.860 1.00 0.00 C ATOM 149 CE1 PHE A 136 60.106 0.646 -3.424 1.00 0.00 C ATOM 150 CE2 PHE A 136 59.297 -0.105 -1.244 1.00 0.00 C ATOM 151 CZ PHE A 136 60.277 0.541 -2.025 1.00 0.00 C ATOM 0 H PHE A 136 58.771 -2.701 -4.059 1.00 0.00 H new ATOM 0 HA PHE A 136 55.951 -2.950 -4.509 1.00 0.00 H new ATOM 0 HB2 PHE A 136 56.221 -0.302 -4.409 1.00 0.00 H new ATOM 0 HB3 PHE A 136 56.036 -1.345 -3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 136 58.819 0.187 -5.117 1.00 0.00 H new ATOM 0 HD2 PHE A 136 57.396 -1.128 -1.259 1.00 0.00 H new ATOM 0 HE1 PHE A 136 60.858 1.140 -4.022 1.00 0.00 H new ATOM 0 HE2 PHE A 136 59.426 -0.189 -0.175 1.00 0.00 H new ATOM 0 HZ PHE A 136 61.157 0.955 -1.555 1.00 0.00 H new ATOM 161 N ALA A 137 57.741 -2.006 -6.995 1.00 0.00 N ATOM 162 CA ALA A 137 57.639 -1.765 -8.444 1.00 0.00 C ATOM 163 C ALA A 137 56.715 -2.802 -9.099 1.00 0.00 C ATOM 164 O ALA A 137 56.130 -2.547 -10.152 1.00 0.00 O ATOM 165 CB ALA A 137 59.020 -1.820 -9.100 1.00 0.00 C ATOM 0 H ALA A 137 58.688 -2.166 -6.651 1.00 0.00 H new ATOM 0 HA ALA A 137 57.218 -0.770 -8.590 1.00 0.00 H new ATOM 0 HB1 ALA A 137 58.922 -1.639 -10.170 1.00 0.00 H new ATOM 0 HB2 ALA A 137 59.662 -1.057 -8.661 1.00 0.00 H new ATOM 0 HB3 ALA A 137 59.461 -2.803 -8.937 1.00 0.00 H new ATOM 171 N ASP A 138 56.594 -3.971 -8.463 1.00 0.00 N ATOM 172 CA ASP A 138 55.565 -4.955 -8.825 1.00 0.00 C ATOM 173 C ASP A 138 54.167 -4.311 -8.782 1.00 0.00 C ATOM 174 O ASP A 138 53.930 -3.402 -7.985 1.00 0.00 O ATOM 175 CB ASP A 138 55.621 -6.122 -7.818 1.00 0.00 C ATOM 176 CG ASP A 138 55.188 -7.448 -8.451 1.00 0.00 C ATOM 177 OD1 ASP A 138 55.038 -7.502 -9.657 1.00 0.00 O ATOM 178 OD2 ASP A 138 55.012 -8.398 -7.706 1.00 0.00 O ATOM 0 H ASP A 138 57.197 -4.261 -7.693 1.00 0.00 H new ATOM 0 HA ASP A 138 55.752 -5.316 -9.836 1.00 0.00 H new ATOM 0 HB2 ASP A 138 56.636 -6.219 -7.432 1.00 0.00 H new ATOM 0 HB3 ASP A 138 54.976 -5.899 -6.968 1.00 0.00 H new ATOM 183 N PRO A 139 53.252 -4.749 -9.620 1.00 0.00 N ATOM 184 CA PRO A 139 51.797 -4.454 -9.419 1.00 0.00 C ATOM 185 C PRO A 139 51.256 -5.093 -8.144 1.00 0.00 C ATOM 186 O PRO A 139 51.878 -5.995 -7.583 1.00 0.00 O ATOM 187 CB PRO A 139 51.103 -5.032 -10.664 1.00 0.00 C ATOM 188 CG PRO A 139 52.122 -5.886 -11.334 1.00 0.00 C ATOM 189 CD PRO A 139 53.475 -5.286 -10.972 1.00 0.00 C ATOM 0 HA PRO A 139 51.619 -3.385 -9.303 1.00 0.00 H new ATOM 0 HB2 PRO A 139 50.225 -5.615 -10.387 1.00 0.00 H new ATOM 0 HB3 PRO A 139 50.762 -4.237 -11.327 1.00 0.00 H new ATOM 0 HG2 PRO A 139 52.050 -6.919 -10.994 1.00 0.00 H new ATOM 0 HG3 PRO A 139 51.975 -5.894 -12.414 1.00 0.00 H new ATOM 0 HD2 PRO A 139 54.265 -6.037 -10.982 1.00 0.00 H new ATOM 0 HD3 PRO A 139 53.770 -4.505 -11.672 1.00 0.00 H new ATOM 197 N ASN A 140 50.054 -4.656 -7.744 1.00 0.00 N ATOM 198 CA ASN A 140 49.498 -4.871 -6.387 1.00 0.00 C ATOM 199 C ASN A 140 50.487 -5.443 -5.360 1.00 0.00 C ATOM 200 O ASN A 140 50.494 -6.650 -5.102 1.00 0.00 O ATOM 201 CB ASN A 140 48.288 -5.814 -6.483 1.00 0.00 C ATOM 202 CG ASN A 140 47.286 -5.305 -7.518 1.00 0.00 C ATOM 203 OD1 ASN A 140 47.173 -4.098 -7.737 1.00 0.00 O ATOM 204 ND2 ASN A 140 46.563 -6.162 -8.185 1.00 0.00 N ATOM 0 H ASN A 140 49.427 -4.135 -8.357 1.00 0.00 H new ATOM 0 HA ASN A 140 49.225 -3.881 -6.022 1.00 0.00 H new ATOM 0 HB2 ASN A 140 48.622 -6.815 -6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 140 47.804 -5.893 -5.509 1.00 0.00 H new ATOM 0 HD21 ASN A 140 45.903 -5.833 -8.889 1.00 0.00 H new ATOM 0 HD22 ASN A 140 46.658 -7.161 -8.002 1.00 0.00 H new ATOM 211 N LEU A 141 51.340 -4.589 -4.798 1.00 0.00 N ATOM 212 CA LEU A 141 51.969 -4.911 -3.518 1.00 0.00 C ATOM 213 C LEU A 141 51.405 -4.032 -2.387 1.00 0.00 C ATOM 214 O LEU A 141 51.495 -4.395 -1.214 1.00 0.00 O ATOM 215 CB LEU A 141 53.482 -4.697 -3.624 1.00 0.00 C ATOM 216 CG LEU A 141 54.178 -5.260 -2.379 1.00 0.00 C ATOM 217 CD1 LEU A 141 54.106 -6.798 -2.387 1.00 0.00 C ATOM 218 CD2 LEU A 141 55.641 -4.803 -2.363 1.00 0.00 C ATOM 0 H LEU A 141 51.607 -3.689 -5.197 1.00 0.00 H new ATOM 0 HA LEU A 141 51.755 -5.954 -3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 141 53.865 -5.188 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 141 53.701 -3.634 -3.724 1.00 0.00 H new ATOM 0 HG LEU A 141 53.675 -4.890 -1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 141 54.603 -7.190 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 141 53.063 -7.113 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 141 54.602 -7.181 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 141 56.137 -5.202 -1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 141 56.146 -5.167 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 141 55.682 -3.714 -2.341 1.00 0.00 H new ATOM 230 N ILE A 142 50.706 -2.948 -2.750 1.00 0.00 N ATOM 231 CA ILE A 142 50.139 -2.053 -1.743 1.00 0.00 C ATOM 232 C ILE A 142 49.038 -2.749 -0.935 1.00 0.00 C ATOM 233 O ILE A 142 48.865 -2.451 0.245 1.00 0.00 O ATOM 234 CB ILE A 142 49.639 -0.741 -2.406 1.00 0.00 C ATOM 235 CG1 ILE A 142 50.845 0.195 -2.639 1.00 0.00 C ATOM 236 CG2 ILE A 142 48.620 -0.019 -1.501 1.00 0.00 C ATOM 237 CD1 ILE A 142 50.412 1.427 -3.453 1.00 0.00 C ATOM 0 H ILE A 142 50.524 -2.676 -3.716 1.00 0.00 H new ATOM 0 HA ILE A 142 50.924 -1.787 -1.035 1.00 0.00 H new ATOM 0 HB ILE A 142 49.155 -0.992 -3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 142 51.260 0.510 -1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 142 51.633 -0.341 -3.168 1.00 0.00 H new ATOM 0 HG21 ILE A 142 48.285 0.897 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 142 47.764 -0.670 -1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 142 49.090 0.227 -0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 142 51.271 2.079 -3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 142 50.018 1.106 -4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 142 49.639 1.970 -2.908 1.00 0.00 H new ATOM 249 N GLU A 143 48.321 -3.700 -1.538 1.00 0.00 N ATOM 250 CA GLU A 143 47.171 -4.308 -0.856 1.00 0.00 C ATOM 251 C GLU A 143 47.616 -5.071 0.392 1.00 0.00 C ATOM 252 O GLU A 143 47.118 -4.833 1.495 1.00 0.00 O ATOM 253 CB GLU A 143 46.470 -5.281 -1.805 1.00 0.00 C ATOM 254 CG GLU A 143 45.782 -4.496 -2.920 1.00 0.00 C ATOM 255 CD GLU A 143 45.016 -5.447 -3.833 1.00 0.00 C ATOM 256 OE1 GLU A 143 45.656 -6.125 -4.621 1.00 0.00 O ATOM 257 OE2 GLU A 143 43.801 -5.486 -3.731 1.00 0.00 O ATOM 0 H GLU A 143 48.507 -4.060 -2.474 1.00 0.00 H new ATOM 0 HA GLU A 143 46.490 -3.510 -0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 143 47.193 -5.978 -2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 143 45.738 -5.875 -1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 143 45.100 -3.762 -2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 143 46.523 -3.943 -3.497 1.00 0.00 H new ATOM 264 N ASN A 144 48.638 -5.909 0.235 1.00 0.00 N ATOM 265 CA ASN A 144 49.259 -6.586 1.377 1.00 0.00 C ATOM 266 C ASN A 144 49.697 -5.568 2.432 1.00 0.00 C ATOM 267 O ASN A 144 49.568 -5.803 3.635 1.00 0.00 O ATOM 268 CB ASN A 144 50.477 -7.379 0.893 1.00 0.00 C ATOM 269 CG ASN A 144 50.068 -8.376 -0.190 1.00 0.00 C ATOM 270 OD1 ASN A 144 48.940 -8.870 -0.191 1.00 0.00 O ATOM 271 ND2 ASN A 144 50.911 -8.669 -1.145 1.00 0.00 N ATOM 0 H ASN A 144 49.055 -6.137 -0.668 1.00 0.00 H new ATOM 0 HA ASN A 144 48.531 -7.261 1.826 1.00 0.00 H new ATOM 0 HB2 ASN A 144 51.231 -6.696 0.502 1.00 0.00 H new ATOM 0 HB3 ASN A 144 50.931 -7.908 1.731 1.00 0.00 H new ATOM 0 HD21 ASN A 144 50.635 -9.307 -1.891 1.00 0.00 H new ATOM 0 HD22 ASN A 144 51.845 -8.260 -1.144 1.00 0.00 H new ATOM 278 N LEU A 145 50.215 -4.442 1.957 1.00 0.00 N ATOM 279 CA LEU A 145 50.625 -3.354 2.839 1.00 0.00 C ATOM 280 C LEU A 145 49.442 -2.731 3.578 1.00 0.00 C ATOM 281 O LEU A 145 49.637 -2.069 4.595 1.00 0.00 O ATOM 282 CB LEU A 145 51.401 -2.291 2.059 1.00 0.00 C ATOM 283 CG LEU A 145 52.618 -2.939 1.385 1.00 0.00 C ATOM 284 CD1 LEU A 145 53.379 -1.881 0.587 1.00 0.00 C ATOM 285 CD2 LEU A 145 53.551 -3.551 2.442 1.00 0.00 C ATOM 0 H LEU A 145 50.362 -4.257 0.965 1.00 0.00 H new ATOM 0 HA LEU A 145 51.283 -3.782 3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 145 50.757 -1.833 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 145 51.724 -1.495 2.730 1.00 0.00 H new ATOM 0 HG LEU A 145 52.274 -3.729 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 145 54.244 -2.339 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 145 52.724 -1.458 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 145 53.713 -1.090 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 145 54.410 -4.007 1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 145 53.894 -2.770 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 145 53.011 -4.311 3.007 1.00 0.00 H new ATOM 297 N LYS A 146 48.244 -2.820 3.004 1.00 0.00 N ATOM 298 CA LYS A 146 47.052 -2.304 3.679 1.00 0.00 C ATOM 299 C LYS A 146 46.812 -3.021 5.016 1.00 0.00 C ATOM 300 O LYS A 146 46.597 -2.375 6.042 1.00 0.00 O ATOM 301 CB LYS A 146 45.811 -2.483 2.798 1.00 0.00 C ATOM 302 CG LYS A 146 45.950 -1.638 1.531 1.00 0.00 C ATOM 303 CD LYS A 146 44.660 -1.729 0.711 1.00 0.00 C ATOM 304 CE LYS A 146 43.589 -0.834 1.337 1.00 0.00 C ATOM 305 NZ LYS A 146 42.239 -1.312 0.925 1.00 0.00 N ATOM 0 H LYS A 146 48.072 -3.237 2.089 1.00 0.00 H new ATOM 0 HA LYS A 146 47.224 -1.244 3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 146 45.689 -3.534 2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 146 44.918 -2.187 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 146 46.154 -0.600 1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 146 46.795 -1.988 0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 146 44.849 -1.422 -0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 146 44.311 -2.761 0.677 1.00 0.00 H new ATOM 0 HE2 LYS A 146 43.676 -0.850 2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 146 43.733 0.199 1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 41.511 -0.704 1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 42.159 -1.275 -0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 42.104 -2.291 1.248 1.00 0.00 H new ATOM 319 N LYS A 147 46.822 -4.358 4.991 1.00 0.00 N ATOM 320 CA LYS A 147 46.265 -5.121 6.117 1.00 0.00 C ATOM 321 C LYS A 147 47.231 -5.334 7.305 1.00 0.00 C ATOM 322 O LYS A 147 46.825 -5.131 8.452 1.00 0.00 O ATOM 323 CB LYS A 147 45.793 -6.486 5.616 1.00 0.00 C ATOM 324 CG LYS A 147 44.638 -6.297 4.632 1.00 0.00 C ATOM 325 CD LYS A 147 44.087 -7.665 4.221 1.00 0.00 C ATOM 326 CE LYS A 147 43.017 -7.482 3.144 1.00 0.00 C ATOM 327 NZ LYS A 147 41.732 -7.080 3.785 1.00 0.00 N ATOM 0 H LYS A 147 47.197 -4.922 4.229 1.00 0.00 H new ATOM 0 HA LYS A 147 45.444 -4.516 6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 147 46.616 -7.011 5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 147 45.472 -7.102 6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 147 43.850 -5.699 5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 147 44.981 -5.752 3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 147 44.893 -8.295 3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 147 43.663 -8.173 5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 147 43.332 -6.723 2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 147 42.884 -8.409 2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 41.003 -6.955 3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 41.430 -7.819 4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 41.865 -6.185 4.298 1.00 0.00 H new ATOM 341 N ASN A 148 48.494 -5.725 7.054 1.00 0.00 N ATOM 342 CA ASN A 148 49.340 -6.175 8.183 1.00 0.00 C ATOM 343 C ASN A 148 50.404 -5.157 8.650 1.00 0.00 C ATOM 344 O ASN A 148 50.900 -5.279 9.771 1.00 0.00 O ATOM 345 CB ASN A 148 50.056 -7.467 7.756 1.00 0.00 C ATOM 346 CG ASN A 148 50.827 -8.075 8.928 1.00 0.00 C ATOM 347 OD1 ASN A 148 50.240 -8.732 9.787 1.00 0.00 O ATOM 348 ND2 ASN A 148 52.118 -7.891 9.007 1.00 0.00 N ATOM 0 H ASN A 148 48.936 -5.741 6.135 1.00 0.00 H new ATOM 0 HA ASN A 148 48.670 -6.316 9.031 1.00 0.00 H new ATOM 0 HB2 ASN A 148 49.326 -8.186 7.383 1.00 0.00 H new ATOM 0 HB3 ASN A 148 50.741 -7.254 6.936 1.00 0.00 H new ATOM 0 HD21 ASN A 148 52.644 -8.293 9.783 1.00 0.00 H new ATOM 0 HD22 ASN A 148 52.600 -7.346 8.292 1.00 0.00 H new ATOM 355 N PRO A 149 50.764 -4.180 7.852 1.00 0.00 N ATOM 356 CA PRO A 149 51.778 -3.174 8.276 1.00 0.00 C ATOM 357 C PRO A 149 51.190 -1.795 8.554 1.00 0.00 C ATOM 358 O PRO A 149 50.232 -1.371 7.909 1.00 0.00 O ATOM 359 CB PRO A 149 52.739 -3.128 7.095 1.00 0.00 C ATOM 360 CG PRO A 149 51.916 -3.476 5.899 1.00 0.00 C ATOM 361 CD PRO A 149 50.625 -4.146 6.392 1.00 0.00 C ATOM 0 HA PRO A 149 52.246 -3.453 9.220 1.00 0.00 H new ATOM 0 HB2 PRO A 149 53.185 -2.139 6.990 1.00 0.00 H new ATOM 0 HB3 PRO A 149 53.558 -3.835 7.227 1.00 0.00 H new ATOM 0 HG2 PRO A 149 51.685 -2.581 5.322 1.00 0.00 H new ATOM 0 HG3 PRO A 149 52.466 -4.147 5.240 1.00 0.00 H new ATOM 0 HD2 PRO A 149 49.744 -3.580 6.090 1.00 0.00 H new ATOM 0 HD3 PRO A 149 50.516 -5.149 5.980 1.00 0.00 H new ATOM 369 N LYS A 150 51.827 -1.072 9.480 1.00 0.00 N ATOM 370 CA LYS A 150 51.456 0.322 9.763 1.00 0.00 C ATOM 371 C LYS A 150 51.565 1.192 8.500 1.00 0.00 C ATOM 372 O LYS A 150 50.961 2.262 8.427 1.00 0.00 O ATOM 373 CB LYS A 150 52.363 0.911 10.854 1.00 0.00 C ATOM 374 CG LYS A 150 52.400 -0.019 12.070 1.00 0.00 C ATOM 375 CD LYS A 150 53.096 0.692 13.233 1.00 0.00 C ATOM 376 CE LYS A 150 53.244 -0.276 14.408 1.00 0.00 C ATOM 377 NZ LYS A 150 51.894 -0.704 14.872 1.00 0.00 N ATOM 0 H LYS A 150 52.599 -1.425 10.045 1.00 0.00 H new ATOM 0 HA LYS A 150 50.422 0.321 10.107 1.00 0.00 H new ATOM 0 HB2 LYS A 150 53.371 1.051 10.463 1.00 0.00 H new ATOM 0 HB3 LYS A 150 51.997 1.894 11.150 1.00 0.00 H new ATOM 0 HG2 LYS A 150 51.387 -0.302 12.356 1.00 0.00 H new ATOM 0 HG3 LYS A 150 52.930 -0.939 11.822 1.00 0.00 H new ATOM 0 HD2 LYS A 150 54.076 1.052 12.919 1.00 0.00 H new ATOM 0 HD3 LYS A 150 52.518 1.565 13.538 1.00 0.00 H new ATOM 0 HE2 LYS A 150 53.829 -1.145 14.106 1.00 0.00 H new ATOM 0 HE3 LYS A 150 53.785 0.205 15.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 51.969 -1.117 15.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 51.260 0.120 14.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 51.510 -1.414 14.216 1.00 0.00 H new ATOM 391 N THR A 151 52.310 0.713 7.497 1.00 0.00 N ATOM 392 CA THR A 151 52.500 1.454 6.243 1.00 0.00 C ATOM 393 C THR A 151 51.145 1.788 5.582 1.00 0.00 C ATOM 394 O THR A 151 51.015 2.770 4.834 1.00 0.00 O ATOM 395 CB THR A 151 53.355 0.606 5.286 1.00 0.00 C ATOM 396 OG1 THR A 151 52.661 -0.592 4.974 1.00 0.00 O ATOM 397 CG2 THR A 151 54.693 0.264 5.949 1.00 0.00 C ATOM 0 H THR A 151 52.792 -0.185 7.529 1.00 0.00 H new ATOM 0 HA THR A 151 53.005 2.394 6.463 1.00 0.00 H new ATOM 0 HB THR A 151 53.543 1.170 4.373 1.00 0.00 H new ATOM 0 HG1 THR A 151 53.261 -1.203 4.496 1.00 0.00 H new ATOM 0 HG21 THR A 151 55.294 -0.337 5.267 1.00 0.00 H new ATOM 0 HG22 THR A 151 55.226 1.184 6.188 1.00 0.00 H new ATOM 0 HG23 THR A 151 54.512 -0.299 6.865 1.00 0.00 H new ATOM 405 N SER A 152 50.108 1.035 5.951 1.00 0.00 N ATOM 406 CA SER A 152 48.783 1.223 5.364 1.00 0.00 C ATOM 407 C SER A 152 48.207 2.611 5.649 1.00 0.00 C ATOM 408 O SER A 152 47.292 3.060 4.952 1.00 0.00 O ATOM 409 CB SER A 152 47.839 0.170 5.932 1.00 0.00 C ATOM 410 OG SER A 152 48.073 0.033 7.325 1.00 0.00 O ATOM 0 H SER A 152 50.160 0.294 6.650 1.00 0.00 H new ATOM 0 HA SER A 152 48.883 1.124 4.283 1.00 0.00 H new ATOM 0 HB2 SER A 152 46.803 0.459 5.752 1.00 0.00 H new ATOM 0 HB3 SER A 152 47.996 -0.785 5.430 1.00 0.00 H new ATOM 0 HG SER A 152 48.704 -0.701 7.480 1.00 0.00 H new ATOM 416 N GLU A 153 48.776 3.322 6.628 1.00 0.00 N ATOM 417 CA GLU A 153 48.318 4.673 6.932 1.00 0.00 C ATOM 418 C GLU A 153 48.413 5.556 5.688 1.00 0.00 C ATOM 419 O GLU A 153 47.403 6.093 5.221 1.00 0.00 O ATOM 420 CB GLU A 153 49.161 5.269 8.060 1.00 0.00 C ATOM 421 CG GLU A 153 48.790 4.593 9.385 1.00 0.00 C ATOM 422 CD GLU A 153 49.368 5.376 10.562 1.00 0.00 C ATOM 423 OE1 GLU A 153 50.480 5.868 10.441 1.00 0.00 O ATOM 424 OE2 GLU A 153 48.690 5.470 11.571 1.00 0.00 O ATOM 0 H GLU A 153 49.542 2.988 7.213 1.00 0.00 H new ATOM 0 HA GLU A 153 47.277 4.627 7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 153 50.221 5.127 7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 153 48.991 6.344 8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 153 47.706 4.532 9.478 1.00 0.00 H new ATOM 0 HG3 GLU A 153 49.169 3.571 9.398 1.00 0.00 H new ATOM 431 N MET A 154 49.579 5.531 5.038 1.00 0.00 N ATOM 432 CA MET A 154 49.817 6.430 3.915 1.00 0.00 C ATOM 433 C MET A 154 48.892 6.100 2.758 1.00 0.00 C ATOM 434 O MET A 154 48.590 6.969 1.939 1.00 0.00 O ATOM 435 CB MET A 154 51.253 6.339 3.412 1.00 0.00 C ATOM 436 CG MET A 154 52.216 6.789 4.506 1.00 0.00 C ATOM 437 SD MET A 154 53.886 6.935 3.819 1.00 0.00 S ATOM 438 CE MET A 154 54.058 5.228 3.237 1.00 0.00 C ATOM 0 H MET A 154 50.356 4.911 5.266 1.00 0.00 H new ATOM 0 HA MET A 154 49.626 7.439 4.279 1.00 0.00 H new ATOM 0 HB2 MET A 154 51.479 5.315 3.115 1.00 0.00 H new ATOM 0 HB3 MET A 154 51.378 6.963 2.527 1.00 0.00 H new ATOM 0 HG2 MET A 154 51.895 7.747 4.916 1.00 0.00 H new ATOM 0 HG3 MET A 154 52.211 6.072 5.327 1.00 0.00 H new ATOM 0 HE1 MET A 154 55.115 4.988 3.120 1.00 0.00 H new ATOM 0 HE2 MET A 154 53.610 4.549 3.963 1.00 0.00 H new ATOM 0 HE3 MET A 154 53.553 5.118 2.277 1.00 0.00 H new ATOM 448 N MET A 155 48.499 4.826 2.628 1.00 0.00 N ATOM 449 CA MET A 155 47.687 4.413 1.487 1.00 0.00 C ATOM 450 C MET A 155 46.287 5.027 1.546 1.00 0.00 C ATOM 451 O MET A 155 45.759 5.480 0.529 1.00 0.00 O ATOM 452 CB MET A 155 47.563 2.882 1.456 1.00 0.00 C ATOM 453 CG MET A 155 48.956 2.233 1.444 1.00 0.00 C ATOM 454 SD MET A 155 49.822 2.641 -0.095 1.00 0.00 S ATOM 455 CE MET A 155 51.499 2.298 0.490 1.00 0.00 C ATOM 0 H MET A 155 48.727 4.081 3.286 1.00 0.00 H new ATOM 0 HA MET A 155 48.184 4.766 0.583 1.00 0.00 H new ATOM 0 HB2 MET A 155 47.002 2.538 2.325 1.00 0.00 H new ATOM 0 HB3 MET A 155 47.003 2.574 0.573 1.00 0.00 H new ATOM 0 HG2 MET A 155 49.535 2.581 2.299 1.00 0.00 H new ATOM 0 HG3 MET A 155 48.862 1.151 1.542 1.00 0.00 H new ATOM 0 HE1 MET A 155 52.211 2.487 -0.314 1.00 0.00 H new ATOM 0 HE2 MET A 155 51.728 2.945 1.337 1.00 0.00 H new ATOM 0 HE3 MET A 155 51.570 1.255 0.800 1.00 0.00 H new ATOM 465 N LYS A 156 45.687 5.038 2.741 1.00 0.00 N ATOM 466 CA LYS A 156 44.259 5.331 2.858 1.00 0.00 C ATOM 467 C LYS A 156 43.976 6.833 2.964 1.00 0.00 C ATOM 468 O LYS A 156 42.842 7.265 2.744 1.00 0.00 O ATOM 469 CB LYS A 156 43.698 4.630 4.094 1.00 0.00 C ATOM 470 CG LYS A 156 43.507 3.141 3.794 1.00 0.00 C ATOM 471 CD LYS A 156 42.719 2.481 4.929 1.00 0.00 C ATOM 472 CE LYS A 156 43.605 2.363 6.172 1.00 0.00 C ATOM 473 NZ LYS A 156 44.544 1.219 6.006 1.00 0.00 N ATOM 0 H LYS A 156 46.160 4.851 3.625 1.00 0.00 H new ATOM 0 HA LYS A 156 43.777 4.966 1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 156 44.377 4.758 4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 156 42.747 5.079 4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 156 42.977 3.016 2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 156 44.477 2.656 3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 156 41.831 3.070 5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 156 42.376 1.494 4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 156 44.164 3.287 6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 156 42.988 2.215 7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 45.063 1.064 6.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 44.007 0.362 5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 45.218 1.431 5.243 1.00 0.00 H new ATOM 487 N ASP A 157 44.999 7.625 3.299 1.00 0.00 N ATOM 488 CA ASP A 157 44.820 9.078 3.386 1.00 0.00 C ATOM 489 C ASP A 157 45.678 9.827 2.353 1.00 0.00 C ATOM 490 O ASP A 157 45.166 10.240 1.310 1.00 0.00 O ATOM 491 CB ASP A 157 45.127 9.560 4.815 1.00 0.00 C ATOM 492 CG ASP A 157 43.835 9.737 5.609 1.00 0.00 C ATOM 493 OD1 ASP A 157 43.109 8.767 5.744 1.00 0.00 O ATOM 494 OD2 ASP A 157 43.594 10.841 6.070 1.00 0.00 O ATOM 0 H ASP A 157 45.941 7.294 3.510 1.00 0.00 H new ATOM 0 HA ASP A 157 43.779 9.303 3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 157 45.773 8.840 5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 157 45.670 10.504 4.778 1.00 0.00 H new ATOM 499 N PRO A 158 46.956 10.003 2.601 1.00 0.00 N ATOM 500 CA PRO A 158 47.761 11.062 1.908 1.00 0.00 C ATOM 501 C PRO A 158 47.906 10.849 0.398 1.00 0.00 C ATOM 502 O PRO A 158 47.919 9.721 -0.093 1.00 0.00 O ATOM 503 CB PRO A 158 49.132 11.002 2.593 1.00 0.00 C ATOM 504 CG PRO A 158 49.216 9.633 3.165 1.00 0.00 C ATOM 505 CD PRO A 158 47.792 9.260 3.562 1.00 0.00 C ATOM 0 HA PRO A 158 47.266 12.030 1.992 1.00 0.00 H new ATOM 0 HB2 PRO A 158 49.937 11.182 1.881 1.00 0.00 H new ATOM 0 HB3 PRO A 158 49.218 11.761 3.371 1.00 0.00 H new ATOM 0 HG2 PRO A 158 49.616 8.928 2.436 1.00 0.00 H new ATOM 0 HG3 PRO A 158 49.881 9.610 4.028 1.00 0.00 H new ATOM 0 HD2 PRO A 158 47.625 8.185 3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 158 47.574 9.549 4.590 1.00 0.00 H new ATOM 513 N GLN A 159 48.165 11.954 -0.305 1.00 0.00 N ATOM 514 CA GLN A 159 48.458 11.921 -1.744 1.00 0.00 C ATOM 515 C GLN A 159 49.705 11.077 -2.050 1.00 0.00 C ATOM 516 O GLN A 159 49.908 10.645 -3.190 1.00 0.00 O ATOM 517 CB GLN A 159 48.664 13.342 -2.271 1.00 0.00 C ATOM 518 CG GLN A 159 47.305 14.007 -2.508 1.00 0.00 C ATOM 519 CD GLN A 159 46.604 13.362 -3.699 1.00 0.00 C ATOM 520 OE1 GLN A 159 47.212 13.181 -4.755 1.00 0.00 O ATOM 521 NE2 GLN A 159 45.355 13.000 -3.593 1.00 0.00 N ATOM 0 H GLN A 159 48.178 12.890 0.100 1.00 0.00 H new ATOM 0 HA GLN A 159 47.604 11.461 -2.242 1.00 0.00 H new ATOM 0 HB2 GLN A 159 49.245 13.925 -1.556 1.00 0.00 H new ATOM 0 HB3 GLN A 159 49.234 13.317 -3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 159 46.685 13.912 -1.617 1.00 0.00 H new ATOM 0 HG3 GLN A 159 47.440 15.073 -2.690 1.00 0.00 H new ATOM 0 HE21 GLN A 159 44.853 13.150 -2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 159 44.881 12.566 -4.385 1.00 0.00 H new ATOM 530 N LEU A 160 50.517 10.810 -1.020 1.00 0.00 N ATOM 531 CA LEU A 160 51.828 10.197 -1.224 1.00 0.00 C ATOM 532 C LEU A 160 51.701 8.873 -1.991 1.00 0.00 C ATOM 533 O LEU A 160 52.647 8.443 -2.646 1.00 0.00 O ATOM 534 CB LEU A 160 52.498 9.937 0.128 1.00 0.00 C ATOM 535 CG LEU A 160 53.980 9.616 -0.081 1.00 0.00 C ATOM 536 CD1 LEU A 160 54.722 10.875 -0.534 1.00 0.00 C ATOM 537 CD2 LEU A 160 54.582 9.117 1.234 1.00 0.00 C ATOM 0 H LEU A 160 50.289 11.008 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 160 52.437 10.885 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 160 52.393 10.811 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 160 52.005 9.108 0.635 1.00 0.00 H new ATOM 0 HG LEU A 160 54.078 8.845 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 160 55.777 10.642 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 160 54.294 11.232 -1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 160 54.624 11.649 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 160 55.637 8.888 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 160 54.481 9.889 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 160 54.057 8.218 1.556 1.00 0.00 H new ATOM 549 N VAL A 161 50.519 8.242 -1.922 1.00 0.00 N ATOM 550 CA VAL A 161 50.272 6.987 -2.640 1.00 0.00 C ATOM 551 C VAL A 161 50.527 7.163 -4.136 1.00 0.00 C ATOM 552 O VAL A 161 51.378 6.491 -4.713 1.00 0.00 O ATOM 553 CB VAL A 161 48.819 6.528 -2.440 1.00 0.00 C ATOM 554 CG1 VAL A 161 48.667 5.083 -2.923 1.00 0.00 C ATOM 555 CG2 VAL A 161 48.427 6.604 -0.959 1.00 0.00 C ATOM 0 H VAL A 161 49.724 8.580 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 161 50.953 6.237 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 161 48.167 7.186 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 161 47.636 4.758 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 161 48.923 5.024 -3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 161 49.333 4.436 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 161 47.395 6.275 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 161 49.084 5.959 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 161 48.523 7.632 -0.609 1.00 0.00 H new ATOM 565 N ALA A 162 49.837 8.133 -4.742 1.00 0.00 N ATOM 566 CA ALA A 162 49.923 8.336 -6.189 1.00 0.00 C ATOM 567 C ALA A 162 51.366 8.626 -6.585 1.00 0.00 C ATOM 568 O ALA A 162 51.955 7.928 -7.415 1.00 0.00 O ATOM 569 CB ALA A 162 49.041 9.520 -6.598 1.00 0.00 C ATOM 0 H ALA A 162 49.219 8.784 -4.258 1.00 0.00 H new ATOM 0 HA ALA A 162 49.581 7.433 -6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 162 49.108 9.668 -7.676 1.00 0.00 H new ATOM 0 HB2 ALA A 162 48.006 9.315 -6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 162 49.381 10.421 -6.086 1.00 0.00 H new ATOM 575 N LYS A 163 51.977 9.549 -5.839 1.00 0.00 N ATOM 576 CA LYS A 163 53.354 9.962 -6.114 1.00 0.00 C ATOM 577 C LYS A 163 54.283 8.745 -6.134 1.00 0.00 C ATOM 578 O LYS A 163 54.912 8.452 -7.152 1.00 0.00 O ATOM 579 CB LYS A 163 53.828 10.950 -5.044 1.00 0.00 C ATOM 580 CG LYS A 163 52.947 12.202 -5.069 1.00 0.00 C ATOM 581 CD LYS A 163 53.225 13.002 -6.345 1.00 0.00 C ATOM 582 CE LYS A 163 52.471 14.332 -6.289 1.00 0.00 C ATOM 583 NZ LYS A 163 52.951 15.220 -7.385 1.00 0.00 N ATOM 0 H LYS A 163 51.544 10.021 -5.046 1.00 0.00 H new ATOM 0 HA LYS A 163 53.381 10.445 -7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 163 53.785 10.483 -4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 163 54.868 11.222 -5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 163 51.895 11.919 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 163 53.147 12.817 -4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 163 54.295 13.183 -6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 163 52.913 12.431 -7.220 1.00 0.00 H new ATOM 0 HE2 LYS A 163 51.399 14.160 -6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 163 52.628 14.811 -5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 52.439 16.125 -7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 53.970 15.394 -7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 52.779 14.762 -8.303 1.00 0.00 H new ATOM 597 N LEU A 164 54.204 7.936 -5.077 1.00 0.00 N ATOM 598 CA LEU A 164 55.062 6.762 -4.940 1.00 0.00 C ATOM 599 C LEU A 164 54.851 5.774 -6.088 1.00 0.00 C ATOM 600 O LEU A 164 55.806 5.193 -6.585 1.00 0.00 O ATOM 601 CB LEU A 164 54.764 6.062 -3.612 1.00 0.00 C ATOM 602 CG LEU A 164 55.251 6.929 -2.449 1.00 0.00 C ATOM 603 CD1 LEU A 164 54.733 6.352 -1.131 1.00 0.00 C ATOM 604 CD2 LEU A 164 56.782 6.946 -2.425 1.00 0.00 C ATOM 0 H LEU A 164 53.554 8.074 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 164 56.098 7.099 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 164 53.693 5.880 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 164 55.256 5.090 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 164 54.878 7.945 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 164 55.080 6.969 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 164 53.643 6.339 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 164 55.106 5.335 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 164 57.126 7.564 -1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 164 57.155 5.930 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 164 57.156 7.356 -3.363 1.00 0.00 H new ATOM 616 N ILE A 165 53.604 5.629 -6.534 1.00 0.00 N ATOM 617 CA ILE A 165 53.267 4.596 -7.516 1.00 0.00 C ATOM 618 C ILE A 165 54.027 4.833 -8.824 1.00 0.00 C ATOM 619 O ILE A 165 54.552 3.890 -9.424 1.00 0.00 O ATOM 620 CB ILE A 165 51.742 4.557 -7.733 1.00 0.00 C ATOM 621 CG1 ILE A 165 51.105 3.953 -6.475 1.00 0.00 C ATOM 622 CG2 ILE A 165 51.388 3.679 -8.946 1.00 0.00 C ATOM 623 CD1 ILE A 165 49.582 4.110 -6.509 1.00 0.00 C ATOM 0 H ILE A 165 52.817 6.206 -6.236 1.00 0.00 H new ATOM 0 HA ILE A 165 53.574 3.621 -7.137 1.00 0.00 H new ATOM 0 HB ILE A 165 51.372 5.565 -7.918 1.00 0.00 H new ATOM 0 HG12 ILE A 165 51.365 2.897 -6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 165 51.506 4.443 -5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 165 50.307 3.665 -9.082 1.00 0.00 H new ATOM 0 HG22 ILE A 165 51.861 4.086 -9.840 1.00 0.00 H new ATOM 0 HG23 ILE A 165 51.746 2.663 -8.777 1.00 0.00 H new ATOM 0 HD11 ILE A 165 49.151 3.675 -5.607 1.00 0.00 H new ATOM 0 HD12 ILE A 165 49.326 5.168 -6.559 1.00 0.00 H new ATOM 0 HD13 ILE A 165 49.183 3.599 -7.385 1.00 0.00 H new ATOM 635 N GLY A 166 54.178 6.099 -9.209 1.00 0.00 N ATOM 636 CA GLY A 166 54.986 6.424 -10.379 1.00 0.00 C ATOM 637 C GLY A 166 56.456 6.193 -10.054 1.00 0.00 C ATOM 638 O GLY A 166 57.175 5.496 -10.777 1.00 0.00 O ATOM 0 H GLY A 166 53.760 6.901 -8.738 1.00 0.00 H new ATOM 0 HA2 GLY A 166 54.687 5.805 -11.225 1.00 0.00 H new ATOM 0 HA3 GLY A 166 54.825 7.462 -10.670 1.00 0.00 H new ATOM 642 N TYR A 167 56.878 6.775 -8.933 1.00 0.00 N ATOM 643 CA TYR A 167 58.235 6.595 -8.418 1.00 0.00 C ATOM 644 C TYR A 167 58.542 5.128 -8.091 1.00 0.00 C ATOM 645 O TYR A 167 59.698 4.764 -7.898 1.00 0.00 O ATOM 646 CB TYR A 167 58.395 7.486 -7.176 1.00 0.00 C ATOM 647 CG TYR A 167 59.773 7.534 -6.570 1.00 0.00 C ATOM 648 CD1 TYR A 167 60.825 8.179 -7.262 1.00 0.00 C ATOM 649 CD2 TYR A 167 59.993 7.001 -5.279 1.00 0.00 C ATOM 650 CE1 TYR A 167 62.105 8.278 -6.669 1.00 0.00 C ATOM 651 CE2 TYR A 167 61.273 7.096 -4.684 1.00 0.00 C ATOM 652 CZ TYR A 167 62.332 7.735 -5.382 1.00 0.00 C ATOM 653 OH TYR A 167 63.585 7.828 -4.809 1.00 0.00 O ATOM 0 H TYR A 167 56.293 7.382 -8.358 1.00 0.00 H new ATOM 0 HA TYR A 167 58.951 6.886 -9.186 1.00 0.00 H new ATOM 0 HB2 TYR A 167 58.101 8.501 -7.442 1.00 0.00 H new ATOM 0 HB3 TYR A 167 57.696 7.141 -6.414 1.00 0.00 H new ATOM 0 HD1 TYR A 167 60.651 8.596 -8.243 1.00 0.00 H new ATOM 0 HD2 TYR A 167 59.184 6.522 -4.747 1.00 0.00 H new ATOM 0 HE1 TYR A 167 62.909 8.768 -7.198 1.00 0.00 H new ATOM 0 HE2 TYR A 167 61.445 6.683 -3.701 1.00 0.00 H new ATOM 0 HH TYR A 167 63.888 8.760 -4.834 1.00 0.00 H new ATOM 663 N LYS A 168 57.499 4.307 -7.974 1.00 0.00 N ATOM 664 CA LYS A 168 57.674 2.872 -7.754 1.00 0.00 C ATOM 665 C LYS A 168 58.086 2.147 -9.040 1.00 0.00 C ATOM 666 O LYS A 168 59.024 1.349 -9.037 1.00 0.00 O ATOM 667 CB LYS A 168 56.366 2.277 -7.225 1.00 0.00 C ATOM 668 CG LYS A 168 56.311 2.427 -5.693 1.00 0.00 C ATOM 669 CD LYS A 168 54.909 2.077 -5.158 1.00 0.00 C ATOM 670 CE LYS A 168 54.399 0.767 -5.770 1.00 0.00 C ATOM 671 NZ LYS A 168 53.602 0.015 -4.761 1.00 0.00 N ATOM 0 H LYS A 168 56.527 4.610 -8.028 1.00 0.00 H new ATOM 0 HA LYS A 168 58.473 2.736 -7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 168 55.515 2.783 -7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 168 56.296 1.225 -7.500 1.00 0.00 H new ATOM 0 HG2 LYS A 168 57.054 1.776 -5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 168 56.567 3.449 -5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 168 54.942 1.987 -4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 168 54.215 2.885 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 168 53.786 0.979 -6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 168 55.240 0.161 -6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 54.111 -0.851 -4.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 53.459 0.609 -3.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 52.679 -0.238 -5.167 1.00 0.00 H new ATOM 685 N GLN A 169 57.379 2.437 -10.131 1.00 0.00 N ATOM 686 CA GLN A 169 57.492 1.620 -11.342 1.00 0.00 C ATOM 687 C GLN A 169 58.816 1.851 -12.085 1.00 0.00 C ATOM 688 O GLN A 169 59.514 0.896 -12.430 1.00 0.00 O ATOM 689 CB GLN A 169 56.326 1.930 -12.282 1.00 0.00 C ATOM 690 CG GLN A 169 55.014 1.479 -11.637 1.00 0.00 C ATOM 691 CD GLN A 169 53.847 1.758 -12.578 1.00 0.00 C ATOM 692 OE1 GLN A 169 53.363 2.887 -12.649 1.00 0.00 O ATOM 693 NE2 GLN A 169 53.364 0.791 -13.308 1.00 0.00 N ATOM 0 H GLN A 169 56.730 3.220 -10.204 1.00 0.00 H new ATOM 0 HA GLN A 169 57.466 0.576 -11.030 1.00 0.00 H new ATOM 0 HB2 GLN A 169 56.290 2.999 -12.494 1.00 0.00 H new ATOM 0 HB3 GLN A 169 56.469 1.421 -13.235 1.00 0.00 H new ATOM 0 HG2 GLN A 169 55.060 0.415 -11.407 1.00 0.00 H new ATOM 0 HG3 GLN A 169 54.864 2.003 -10.693 1.00 0.00 H new ATOM 0 HE21 GLN A 169 53.767 -0.144 -13.247 1.00 0.00 H new ATOM 0 HE22 GLN A 169 52.583 0.970 -13.940 1.00 0.00 H new ATOM 702 N ASN A 170 59.155 3.120 -12.323 1.00 0.00 N ATOM 703 CA ASN A 170 60.247 3.449 -13.260 1.00 0.00 C ATOM 704 C ASN A 170 61.602 3.743 -12.578 1.00 0.00 C ATOM 705 O ASN A 170 62.641 3.318 -13.085 1.00 0.00 O ATOM 706 CB ASN A 170 59.842 4.663 -14.098 1.00 0.00 C ATOM 707 CG ASN A 170 60.709 4.744 -15.350 1.00 0.00 C ATOM 708 OD1 ASN A 170 61.910 4.481 -15.293 1.00 0.00 O ATOM 709 ND2 ASN A 170 60.169 5.096 -16.484 1.00 0.00 N ATOM 0 H ASN A 170 58.703 3.927 -11.893 1.00 0.00 H new ATOM 0 HA ASN A 170 60.396 2.562 -13.876 1.00 0.00 H new ATOM 0 HB2 ASN A 170 58.791 4.588 -14.377 1.00 0.00 H new ATOM 0 HB3 ASN A 170 59.952 5.574 -13.510 1.00 0.00 H new ATOM 0 HD21 ASN A 170 60.742 5.154 -17.326 1.00 0.00 H new ATOM 0 HD22 ASN A 170 59.173 5.314 -16.529 1.00 0.00 H new ATOM 716 N PRO A 171 61.623 4.433 -11.457 1.00 0.00 N ATOM 717 CA PRO A 171 62.880 5.046 -10.934 1.00 0.00 C ATOM 718 C PRO A 171 63.539 4.261 -9.800 1.00 0.00 C ATOM 719 O PRO A 171 63.187 4.418 -8.633 1.00 0.00 O ATOM 720 CB PRO A 171 62.449 6.427 -10.469 1.00 0.00 C ATOM 721 CG PRO A 171 61.024 6.285 -10.075 1.00 0.00 C ATOM 722 CD PRO A 171 60.469 5.024 -10.756 1.00 0.00 C ATOM 0 HA PRO A 171 63.649 5.063 -11.706 1.00 0.00 H new ATOM 0 HB2 PRO A 171 63.056 6.766 -9.630 1.00 0.00 H new ATOM 0 HB3 PRO A 171 62.565 7.163 -11.264 1.00 0.00 H new ATOM 0 HG2 PRO A 171 60.934 6.205 -8.992 1.00 0.00 H new ATOM 0 HG3 PRO A 171 60.455 7.164 -10.378 1.00 0.00 H new ATOM 0 HD2 PRO A 171 60.053 4.331 -10.025 1.00 0.00 H new ATOM 0 HD3 PRO A 171 59.668 5.271 -11.452 1.00 0.00 H new ATOM 730 N GLN A 172 64.537 3.443 -10.151 1.00 0.00 N ATOM 731 CA GLN A 172 65.349 2.717 -9.148 1.00 0.00 C ATOM 732 C GLN A 172 65.825 3.621 -7.982 1.00 0.00 C ATOM 733 O GLN A 172 66.231 3.121 -6.928 1.00 0.00 O ATOM 734 CB GLN A 172 66.574 2.093 -9.826 1.00 0.00 C ATOM 735 CG GLN A 172 66.124 1.109 -10.911 1.00 0.00 C ATOM 736 CD GLN A 172 65.494 -0.127 -10.275 1.00 0.00 C ATOM 737 OE1 GLN A 172 65.923 -0.565 -9.207 1.00 0.00 O ATOM 738 NE2 GLN A 172 64.497 -0.720 -10.874 1.00 0.00 N ATOM 0 H GLN A 172 64.807 3.262 -11.118 1.00 0.00 H new ATOM 0 HA GLN A 172 64.705 1.947 -8.723 1.00 0.00 H new ATOM 0 HB2 GLN A 172 67.195 2.874 -10.266 1.00 0.00 H new ATOM 0 HB3 GLN A 172 67.187 1.577 -9.087 1.00 0.00 H new ATOM 0 HG2 GLN A 172 65.406 1.591 -11.574 1.00 0.00 H new ATOM 0 HG3 GLN A 172 66.977 0.817 -11.523 1.00 0.00 H new ATOM 0 HE21 GLN A 172 64.144 -0.355 -11.759 1.00 0.00 H new ATOM 0 HE22 GLN A 172 64.071 -1.548 -10.457 1.00 0.00 H new ATOM 747 N ALA A 173 65.698 4.945 -8.143 1.00 0.00 N ATOM 748 CA ALA A 173 66.201 5.901 -7.160 1.00 0.00 C ATOM 749 C ALA A 173 65.552 5.718 -5.773 1.00 0.00 C ATOM 750 O ALA A 173 66.013 6.312 -4.799 1.00 0.00 O ATOM 751 CB ALA A 173 65.903 7.317 -7.652 1.00 0.00 C ATOM 0 H ALA A 173 65.248 5.375 -8.951 1.00 0.00 H new ATOM 0 HA ALA A 173 67.272 5.730 -7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 173 66.274 8.040 -6.926 1.00 0.00 H new ATOM 0 HB2 ALA A 173 66.395 7.480 -8.611 1.00 0.00 H new ATOM 0 HB3 ALA A 173 64.827 7.442 -7.771 1.00 0.00 H new ATOM 757 N ILE A 174 64.517 4.863 -5.667 1.00 0.00 N ATOM 758 CA ILE A 174 63.751 4.751 -4.417 1.00 0.00 C ATOM 759 C ILE A 174 64.662 4.354 -3.251 1.00 0.00 C ATOM 760 O ILE A 174 64.401 4.716 -2.105 1.00 0.00 O ATOM 761 CB ILE A 174 62.633 3.708 -4.557 1.00 0.00 C ATOM 762 CG1 ILE A 174 61.798 4.019 -5.821 1.00 0.00 C ATOM 763 CG2 ILE A 174 61.746 3.750 -3.299 1.00 0.00 C ATOM 764 CD1 ILE A 174 60.560 3.123 -5.908 1.00 0.00 C ATOM 0 H ILE A 174 64.198 4.251 -6.418 1.00 0.00 H new ATOM 0 HA ILE A 174 63.312 5.728 -4.213 1.00 0.00 H new ATOM 0 HB ILE A 174 63.059 2.710 -4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 174 61.492 5.065 -5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 174 62.414 3.878 -6.709 1.00 0.00 H new ATOM 0 HG21 ILE A 174 60.949 3.012 -3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 174 62.350 3.525 -2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 174 61.310 4.743 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 174 59.996 3.368 -6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 174 60.869 2.078 -5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 174 59.932 3.284 -5.031 1.00 0.00 H new ATOM 776 N GLY A 175 65.740 3.623 -3.559 1.00 0.00 N ATOM 777 CA GLY A 175 66.637 3.111 -2.521 1.00 0.00 C ATOM 778 C GLY A 175 67.172 4.240 -1.632 1.00 0.00 C ATOM 779 O GLY A 175 67.472 4.024 -0.457 1.00 0.00 O ATOM 0 H GLY A 175 66.009 3.375 -4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 175 66.106 2.384 -1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 175 67.472 2.587 -2.986 1.00 0.00 H new ATOM 783 N GLN A 176 67.285 5.441 -2.205 1.00 0.00 N ATOM 784 CA GLN A 176 67.805 6.591 -1.473 1.00 0.00 C ATOM 785 C GLN A 176 66.696 7.318 -0.714 1.00 0.00 C ATOM 786 O GLN A 176 66.938 7.900 0.344 1.00 0.00 O ATOM 787 CB GLN A 176 68.474 7.565 -2.445 1.00 0.00 C ATOM 788 CG GLN A 176 69.645 6.870 -3.144 1.00 0.00 C ATOM 789 CD GLN A 176 70.795 6.670 -2.162 1.00 0.00 C ATOM 790 OE1 GLN A 176 70.733 5.790 -1.303 1.00 0.00 O ATOM 791 NE2 GLN A 176 71.847 7.439 -2.238 1.00 0.00 N ATOM 0 H GLN A 176 67.023 5.639 -3.171 1.00 0.00 H new ATOM 0 HA GLN A 176 68.534 6.225 -0.750 1.00 0.00 H new ATOM 0 HB2 GLN A 176 67.751 7.912 -3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 176 68.828 8.445 -1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 176 69.323 5.907 -3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 176 69.980 7.468 -3.992 1.00 0.00 H new ATOM 0 HE21 GLN A 176 71.896 8.167 -2.950 1.00 0.00 H new ATOM 0 HE22 GLN A 176 72.620 7.312 -1.585 1.00 0.00 H new ATOM 800 N ASP A 177 65.482 7.278 -1.263 1.00 0.00 N ATOM 801 CA ASP A 177 64.380 8.043 -0.693 1.00 0.00 C ATOM 802 C ASP A 177 63.849 7.389 0.578 1.00 0.00 C ATOM 803 O ASP A 177 63.178 8.048 1.369 1.00 0.00 O ATOM 804 CB ASP A 177 63.243 8.232 -1.709 1.00 0.00 C ATOM 805 CG ASP A 177 63.443 9.518 -2.526 1.00 0.00 C ATOM 806 OD1 ASP A 177 64.314 10.304 -2.180 1.00 0.00 O ATOM 807 OD2 ASP A 177 62.697 9.716 -3.469 1.00 0.00 O ATOM 0 H ASP A 177 65.241 6.731 -2.090 1.00 0.00 H new ATOM 0 HA ASP A 177 64.773 9.026 -0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 177 63.203 7.373 -2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 177 62.287 8.273 -1.187 1.00 0.00 H new ATOM 812 N LEU A 178 64.123 6.090 0.777 1.00 0.00 N ATOM 813 CA LEU A 178 63.740 5.434 2.034 1.00 0.00 C ATOM 814 C LEU A 178 64.345 6.203 3.221 1.00 0.00 C ATOM 815 O LEU A 178 63.684 6.443 4.232 1.00 0.00 O ATOM 816 CB LEU A 178 64.241 3.978 2.090 1.00 0.00 C ATOM 817 CG LEU A 178 63.943 3.191 0.802 1.00 0.00 C ATOM 818 CD1 LEU A 178 64.694 1.862 0.869 1.00 0.00 C ATOM 819 CD2 LEU A 178 62.446 2.892 0.689 1.00 0.00 C ATOM 0 H LEU A 178 64.596 5.488 0.103 1.00 0.00 H new ATOM 0 HA LEU A 178 62.651 5.432 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 178 65.316 3.976 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 178 63.775 3.471 2.935 1.00 0.00 H new ATOM 0 HG LEU A 178 64.255 3.782 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 178 64.497 1.287 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 178 65.764 2.053 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 178 64.358 1.297 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 178 62.254 2.335 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 178 62.128 2.300 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 178 61.889 3.828 0.668 1.00 0.00 H new ATOM 831 N PHE A 179 65.618 6.576 3.068 1.00 0.00 N ATOM 832 CA PHE A 179 66.318 7.403 4.055 1.00 0.00 C ATOM 833 C PHE A 179 65.530 8.678 4.387 1.00 0.00 C ATOM 834 O PHE A 179 65.552 9.151 5.524 1.00 0.00 O ATOM 835 CB PHE A 179 67.696 7.782 3.514 1.00 0.00 C ATOM 836 CG PHE A 179 68.655 6.618 3.438 1.00 0.00 C ATOM 837 CD1 PHE A 179 69.406 6.244 4.580 1.00 0.00 C ATOM 838 CD2 PHE A 179 68.803 5.900 2.227 1.00 0.00 C ATOM 839 CE1 PHE A 179 70.305 5.151 4.509 1.00 0.00 C ATOM 840 CE2 PHE A 179 69.703 4.808 2.156 1.00 0.00 C ATOM 841 CZ PHE A 179 70.453 4.434 3.298 1.00 0.00 C ATOM 0 H PHE A 179 66.189 6.316 2.264 1.00 0.00 H new ATOM 0 HA PHE A 179 66.419 6.822 4.972 1.00 0.00 H new ATOM 0 HB2 PHE A 179 67.581 8.213 2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 179 68.126 8.556 4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 179 69.293 6.792 5.504 1.00 0.00 H new ATOM 0 HD2 PHE A 179 68.230 6.185 1.357 1.00 0.00 H new ATOM 0 HE1 PHE A 179 70.877 4.865 5.379 1.00 0.00 H new ATOM 0 HE2 PHE A 179 69.817 4.261 1.232 1.00 0.00 H new ATOM 0 HZ PHE A 179 71.138 3.601 3.244 1.00 0.00 H new ATOM 851 N THR A 180 64.840 9.222 3.386 1.00 0.00 N ATOM 852 CA THR A 180 64.039 10.438 3.578 1.00 0.00 C ATOM 853 C THR A 180 62.602 10.097 3.996 1.00 0.00 C ATOM 854 O THR A 180 61.933 10.897 4.653 1.00 0.00 O ATOM 855 CB THR A 180 64.012 11.265 2.284 1.00 0.00 C ATOM 856 OG1 THR A 180 63.255 10.577 1.300 1.00 0.00 O ATOM 857 CG2 THR A 180 65.439 11.484 1.773 1.00 0.00 C ATOM 0 H THR A 180 64.817 8.846 2.438 1.00 0.00 H new ATOM 0 HA THR A 180 64.503 11.020 4.375 1.00 0.00 H new ATOM 0 HB THR A 180 63.554 12.233 2.487 1.00 0.00 H new ATOM 0 HG1 THR A 180 63.384 9.611 1.404 1.00 0.00 H new ATOM 0 HG21 THR A 180 65.411 12.071 0.855 1.00 0.00 H new ATOM 0 HG22 THR A 180 66.018 12.017 2.527 1.00 0.00 H new ATOM 0 HG23 THR A 180 65.906 10.520 1.572 1.00 0.00 H new ATOM 865 N ASP A 181 62.140 8.905 3.610 1.00 0.00 N ATOM 866 CA ASP A 181 60.769 8.486 3.894 1.00 0.00 C ATOM 867 C ASP A 181 60.748 7.398 4.974 1.00 0.00 C ATOM 868 O ASP A 181 61.203 6.279 4.728 1.00 0.00 O ATOM 869 CB ASP A 181 60.110 7.956 2.619 1.00 0.00 C ATOM 870 CG ASP A 181 58.593 8.173 2.657 1.00 0.00 C ATOM 871 OD1 ASP A 181 58.081 8.538 3.707 1.00 0.00 O ATOM 872 OD2 ASP A 181 57.964 7.975 1.632 1.00 0.00 O ATOM 0 H ASP A 181 62.695 8.216 3.102 1.00 0.00 H new ATOM 0 HA ASP A 181 60.214 9.351 4.257 1.00 0.00 H new ATOM 0 HB2 ASP A 181 60.532 8.461 1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 181 60.327 6.894 2.507 1.00 0.00 H new ATOM 877 N PRO A 182 60.202 7.677 6.142 1.00 0.00 N ATOM 878 CA PRO A 182 60.225 6.693 7.270 1.00 0.00 C ATOM 879 C PRO A 182 59.408 5.437 6.965 1.00 0.00 C ATOM 880 O PRO A 182 59.916 4.319 7.070 1.00 0.00 O ATOM 881 CB PRO A 182 59.630 7.461 8.456 1.00 0.00 C ATOM 882 CG PRO A 182 58.816 8.553 7.853 1.00 0.00 C ATOM 883 CD PRO A 182 59.494 8.915 6.535 1.00 0.00 C ATOM 0 HA PRO A 182 61.235 6.330 7.463 1.00 0.00 H new ATOM 0 HB2 PRO A 182 59.015 6.810 9.077 1.00 0.00 H new ATOM 0 HB3 PRO A 182 60.415 7.864 9.096 1.00 0.00 H new ATOM 0 HG2 PRO A 182 57.790 8.226 7.685 1.00 0.00 H new ATOM 0 HG3 PRO A 182 58.771 9.416 8.517 1.00 0.00 H new ATOM 0 HD2 PRO A 182 58.766 9.214 5.781 1.00 0.00 H new ATOM 0 HD3 PRO A 182 60.186 9.748 6.658 1.00 0.00 H new ATOM 891 N ARG A 183 58.142 5.627 6.586 1.00 0.00 N ATOM 892 CA ARG A 183 57.223 4.497 6.430 1.00 0.00 C ATOM 893 C ARG A 183 57.648 3.569 5.293 1.00 0.00 C ATOM 894 O ARG A 183 57.533 2.352 5.426 1.00 0.00 O ATOM 895 CB ARG A 183 55.795 4.985 6.180 1.00 0.00 C ATOM 896 CG ARG A 183 55.352 5.884 7.337 1.00 0.00 C ATOM 897 CD ARG A 183 53.866 6.205 7.191 1.00 0.00 C ATOM 898 NE ARG A 183 53.270 6.502 8.495 1.00 0.00 N ATOM 899 CZ ARG A 183 53.516 7.640 9.157 1.00 0.00 C ATOM 900 NH1 ARG A 183 54.332 8.549 8.679 1.00 0.00 N ATOM 901 NH2 ARG A 183 52.926 7.848 10.301 1.00 0.00 N ATOM 0 H ARG A 183 57.734 6.540 6.384 1.00 0.00 H new ATOM 0 HA ARG A 183 57.256 3.934 7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 183 55.747 5.534 5.240 1.00 0.00 H new ATOM 0 HB3 ARG A 183 55.120 4.134 6.087 1.00 0.00 H new ATOM 0 HG2 ARG A 183 55.536 5.387 8.289 1.00 0.00 H new ATOM 0 HG3 ARG A 183 55.935 6.805 7.340 1.00 0.00 H new ATOM 0 HD2 ARG A 183 53.737 7.057 6.524 1.00 0.00 H new ATOM 0 HD3 ARG A 183 53.350 5.361 6.733 1.00 0.00 H new ATOM 0 HE ARG A 183 52.643 5.816 8.915 1.00 0.00 H new ATOM 0 HH11 ARG A 183 54.796 8.397 7.783 1.00 0.00 H new ATOM 0 HH12 ARG A 183 54.502 9.407 9.203 1.00 0.00 H new ATOM 0 HH21 ARG A 183 52.287 7.149 10.680 1.00 0.00 H new ATOM 0 HH22 ARG A 183 53.103 8.710 10.817 1.00 0.00 H new ATOM 915 N LEU A 184 58.187 4.128 4.198 1.00 0.00 N ATOM 916 CA LEU A 184 58.604 3.303 3.049 1.00 0.00 C ATOM 917 C LEU A 184 59.517 2.161 3.510 1.00 0.00 C ATOM 918 O LEU A 184 59.456 1.048 2.984 1.00 0.00 O ATOM 919 CB LEU A 184 59.345 4.153 2.002 1.00 0.00 C ATOM 920 CG LEU A 184 58.343 4.807 1.041 1.00 0.00 C ATOM 921 CD1 LEU A 184 59.068 5.840 0.168 1.00 0.00 C ATOM 922 CD2 LEU A 184 57.715 3.737 0.134 1.00 0.00 C ATOM 0 H LEU A 184 58.343 5.129 4.082 1.00 0.00 H new ATOM 0 HA LEU A 184 57.704 2.887 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 184 59.936 4.921 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 184 60.041 3.528 1.443 1.00 0.00 H new ATOM 0 HG LEU A 184 57.562 5.297 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 184 58.356 6.304 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 184 59.513 6.605 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 184 59.851 5.345 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 184 57.005 4.208 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 184 58.498 3.244 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 184 57.197 2.999 0.747 1.00 0.00 H new ATOM 934 N MET A 185 60.321 2.433 4.535 1.00 0.00 N ATOM 935 CA MET A 185 61.196 1.409 5.092 1.00 0.00 C ATOM 936 C MET A 185 60.382 0.302 5.769 1.00 0.00 C ATOM 937 O MET A 185 60.616 -0.876 5.522 1.00 0.00 O ATOM 938 CB MET A 185 62.171 2.032 6.086 1.00 0.00 C ATOM 939 CG MET A 185 63.198 2.870 5.325 1.00 0.00 C ATOM 940 SD MET A 185 64.497 3.413 6.461 1.00 0.00 S ATOM 941 CE MET A 185 65.720 3.849 5.202 1.00 0.00 C ATOM 0 H MET A 185 60.384 3.343 4.991 1.00 0.00 H new ATOM 0 HA MET A 185 61.762 0.963 4.274 1.00 0.00 H new ATOM 0 HB2 MET A 185 61.632 2.655 6.800 1.00 0.00 H new ATOM 0 HB3 MET A 185 62.673 1.252 6.659 1.00 0.00 H new ATOM 0 HG2 MET A 185 63.631 2.285 4.514 1.00 0.00 H new ATOM 0 HG3 MET A 185 62.713 3.734 4.871 1.00 0.00 H new ATOM 0 HE1 MET A 185 66.722 3.752 5.619 1.00 0.00 H new ATOM 0 HE2 MET A 185 65.617 3.180 4.347 1.00 0.00 H new ATOM 0 HE3 MET A 185 65.559 4.878 4.879 1.00 0.00 H new ATOM 951 N THR A 186 59.341 0.681 6.514 1.00 0.00 N ATOM 952 CA THR A 186 58.507 -0.303 7.221 1.00 0.00 C ATOM 953 C THR A 186 57.869 -1.278 6.223 1.00 0.00 C ATOM 954 O THR A 186 57.755 -2.477 6.488 1.00 0.00 O ATOM 955 CB THR A 186 57.413 0.424 8.017 1.00 0.00 C ATOM 956 OG1 THR A 186 58.013 1.417 8.838 1.00 0.00 O ATOM 957 CG2 THR A 186 56.648 -0.569 8.898 1.00 0.00 C ATOM 0 H THR A 186 59.055 1.651 6.645 1.00 0.00 H new ATOM 0 HA THR A 186 59.135 -0.871 7.907 1.00 0.00 H new ATOM 0 HB THR A 186 56.715 0.888 7.320 1.00 0.00 H new ATOM 0 HG1 THR A 186 57.318 1.885 9.347 1.00 0.00 H new ATOM 0 HG21 THR A 186 55.876 -0.040 9.456 1.00 0.00 H new ATOM 0 HG22 THR A 186 56.185 -1.330 8.270 1.00 0.00 H new ATOM 0 HG23 THR A 186 57.339 -1.044 9.595 1.00 0.00 H new ATOM 965 N ILE A 187 57.487 -0.748 5.059 1.00 0.00 N ATOM 966 CA ILE A 187 57.007 -1.580 3.948 1.00 0.00 C ATOM 967 C ILE A 187 58.058 -2.641 3.594 1.00 0.00 C ATOM 968 O ILE A 187 57.747 -3.824 3.439 1.00 0.00 O ATOM 969 CB ILE A 187 56.739 -0.699 2.713 1.00 0.00 C ATOM 970 CG1 ILE A 187 55.674 0.359 3.045 1.00 0.00 C ATOM 971 CG2 ILE A 187 56.255 -1.570 1.551 1.00 0.00 C ATOM 972 CD1 ILE A 187 55.514 1.331 1.870 1.00 0.00 C ATOM 0 H ILE A 187 57.500 0.252 4.859 1.00 0.00 H new ATOM 0 HA ILE A 187 56.084 -2.073 4.252 1.00 0.00 H new ATOM 0 HB ILE A 187 57.664 -0.198 2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 187 54.722 -0.127 3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 187 55.961 0.906 3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 187 56.067 -0.943 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 187 57.018 -2.309 1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 187 55.335 -2.079 1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 187 54.757 2.076 2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 187 56.465 1.828 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 187 55.206 0.780 0.981 1.00 0.00 H new ATOM 984 N MET A 188 59.304 -2.194 3.509 1.00 0.00 N ATOM 985 CA MET A 188 60.415 -3.072 3.149 1.00 0.00 C ATOM 986 C MET A 188 60.536 -4.230 4.139 1.00 0.00 C ATOM 987 O MET A 188 60.751 -5.375 3.751 1.00 0.00 O ATOM 988 CB MET A 188 61.717 -2.275 3.143 1.00 0.00 C ATOM 989 CG MET A 188 61.582 -1.044 2.222 1.00 0.00 C ATOM 990 SD MET A 188 62.668 -1.196 0.785 1.00 0.00 S ATOM 991 CE MET A 188 61.478 -1.980 -0.332 1.00 0.00 C ATOM 0 H MET A 188 59.574 -1.226 3.685 1.00 0.00 H new ATOM 0 HA MET A 188 60.224 -3.479 2.156 1.00 0.00 H new ATOM 0 HB2 MET A 188 61.961 -1.956 4.156 1.00 0.00 H new ATOM 0 HB3 MET A 188 62.537 -2.906 2.801 1.00 0.00 H new ATOM 0 HG2 MET A 188 60.548 -0.942 1.893 1.00 0.00 H new ATOM 0 HG3 MET A 188 61.830 -0.140 2.777 1.00 0.00 H new ATOM 0 HE1 MET A 188 61.566 -1.539 -1.325 1.00 0.00 H new ATOM 0 HE2 MET A 188 61.683 -3.049 -0.390 1.00 0.00 H new ATOM 0 HE3 MET A 188 60.467 -1.825 0.046 1.00 0.00 H new ATOM 1001 N ALA A 189 60.383 -3.910 5.421 1.00 0.00 N ATOM 1002 CA ALA A 189 60.453 -4.913 6.494 1.00 0.00 C ATOM 1003 C ALA A 189 59.461 -6.067 6.282 1.00 0.00 C ATOM 1004 O ALA A 189 59.863 -7.228 6.222 1.00 0.00 O ATOM 1005 CB ALA A 189 60.164 -4.244 7.840 1.00 0.00 C ATOM 0 H ALA A 189 60.209 -2.960 5.749 1.00 0.00 H new ATOM 0 HA ALA A 189 61.459 -5.333 6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 189 60.216 -4.988 8.635 1.00 0.00 H new ATOM 0 HB2 ALA A 189 60.902 -3.464 8.024 1.00 0.00 H new ATOM 0 HB3 ALA A 189 59.167 -3.803 7.821 1.00 0.00 H new ATOM 1011 N THR A 190 58.172 -5.743 6.124 1.00 0.00 N ATOM 1012 CA THR A 190 57.141 -6.781 5.923 1.00 0.00 C ATOM 1013 C THR A 190 57.498 -7.691 4.739 1.00 0.00 C ATOM 1014 O THR A 190 57.436 -8.917 4.841 1.00 0.00 O ATOM 1015 CB THR A 190 55.774 -6.124 5.647 1.00 0.00 C ATOM 1016 OG1 THR A 190 55.970 -4.875 4.998 1.00 0.00 O ATOM 1017 CG2 THR A 190 55.003 -5.909 6.952 1.00 0.00 C ATOM 0 H THR A 190 57.817 -4.787 6.130 1.00 0.00 H new ATOM 0 HA THR A 190 57.092 -7.380 6.832 1.00 0.00 H new ATOM 0 HB THR A 190 55.192 -6.786 5.005 1.00 0.00 H new ATOM 0 HG1 THR A 190 56.681 -4.962 4.329 1.00 0.00 H new ATOM 0 HG21 THR A 190 54.041 -5.444 6.734 1.00 0.00 H new ATOM 0 HG22 THR A 190 54.839 -6.870 7.440 1.00 0.00 H new ATOM 0 HG23 THR A 190 55.578 -5.260 7.612 1.00 0.00 H new ATOM 1025 N LEU A 191 57.871 -7.069 3.626 1.00 0.00 N ATOM 1026 CA LEU A 191 58.233 -7.807 2.410 1.00 0.00 C ATOM 1027 C LEU A 191 59.400 -8.768 2.663 1.00 0.00 C ATOM 1028 O LEU A 191 59.298 -9.969 2.406 1.00 0.00 O ATOM 1029 CB LEU A 191 58.635 -6.813 1.322 1.00 0.00 C ATOM 1030 CG LEU A 191 57.397 -6.059 0.824 1.00 0.00 C ATOM 1031 CD1 LEU A 191 57.806 -4.656 0.366 1.00 0.00 C ATOM 1032 CD2 LEU A 191 56.778 -6.822 -0.350 1.00 0.00 C ATOM 0 H LEU A 191 57.932 -6.055 3.535 1.00 0.00 H new ATOM 0 HA LEU A 191 57.368 -8.392 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 191 59.368 -6.108 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 191 59.109 -7.339 0.493 1.00 0.00 H new ATOM 0 HG LEU A 191 56.668 -5.978 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 191 56.927 -4.118 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 191 58.249 -4.115 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 191 58.533 -4.735 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 191 55.897 -6.288 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 191 57.506 -6.901 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 191 56.489 -7.821 -0.023 1.00 0.00 H new ATOM 1044 N MET A 192 60.500 -8.223 3.169 1.00 0.00 N ATOM 1045 CA MET A 192 61.724 -8.994 3.381 1.00 0.00 C ATOM 1046 C MET A 192 61.605 -9.966 4.555 1.00 0.00 C ATOM 1047 O MET A 192 62.319 -10.968 4.611 1.00 0.00 O ATOM 1048 CB MET A 192 62.877 -8.041 3.641 1.00 0.00 C ATOM 1049 CG MET A 192 63.263 -7.351 2.330 1.00 0.00 C ATOM 1050 SD MET A 192 64.328 -8.447 1.358 1.00 0.00 S ATOM 1051 CE MET A 192 65.797 -8.338 2.411 1.00 0.00 C ATOM 0 H MET A 192 60.571 -7.243 3.443 1.00 0.00 H new ATOM 0 HA MET A 192 61.900 -9.583 2.481 1.00 0.00 H new ATOM 0 HB2 MET A 192 62.591 -7.299 4.386 1.00 0.00 H new ATOM 0 HB3 MET A 192 63.731 -8.585 4.045 1.00 0.00 H new ATOM 0 HG2 MET A 192 62.367 -7.100 1.762 1.00 0.00 H new ATOM 0 HG3 MET A 192 63.781 -6.415 2.539 1.00 0.00 H new ATOM 0 HE1 MET A 192 66.671 -8.125 1.795 1.00 0.00 H new ATOM 0 HE2 MET A 192 65.663 -7.539 3.140 1.00 0.00 H new ATOM 0 HE3 MET A 192 65.942 -9.284 2.932 1.00 0.00 H new ATOM 1061 N GLY A 193 60.701 -9.670 5.485 1.00 0.00 N ATOM 1062 CA GLY A 193 60.641 -10.396 6.747 1.00 0.00 C ATOM 1063 C GLY A 193 59.818 -11.678 6.608 1.00 0.00 C ATOM 1064 O GLY A 193 59.739 -12.476 7.543 1.00 0.00 O ATOM 0 H GLY A 193 60.002 -8.934 5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 193 61.650 -10.642 7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 193 60.201 -9.760 7.515 1.00 0.00 H new