USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 590 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 98 HIS : no HD1:sc= 0.785 K(o=1.9,f=-2.2) USER MOD Set 1.2: A 144 SER OG : rot 88:sc= 1.14 USER MOD Single : A 96 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.18) USER MOD Single : A 105 SER OG : rot 180:sc= -0.138 USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.0125 USER MOD Single : A 110 THR OG1 : rot 180:sc=-0.00475 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1.07) USER MOD Single : A 132 MET CE :methyl 168:sc= 0 (180deg=-0.128) USER MOD Single : A 134 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 136 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0428) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 ASN : amide:sc=-0.00808 K(o=-0.0081,f=-1.4) USER MOD Single : A 156 GLN : amide:sc= -0.657 K(o=-0.66,f=0) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 MET CE :methyl -153:sc= -1.54 (180deg=-3.33!) USER MOD Single : A 161 GLN : amide:sc= -0.397 K(o=-0.4,f=-3.7!) USER MOD Single : A 167 GLN : amide:sc= 0.991 K(o=0.99,f=0) USER MOD Single : A 170 THR OG1 : rot 125:sc= 0.695 USER MOD Single : A 171 ASN : amide:sc= -2.55! K(o=-2.5!,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 1.109 13.653 -6.310 1.00 0.00 N ATOM 179 CA HIS A 96 0.498 12.425 -6.811 1.00 0.00 C ATOM 180 C HIS A 96 -0.732 12.033 -5.999 1.00 0.00 C ATOM 181 O HIS A 96 -1.049 12.661 -4.990 1.00 0.00 O ATOM 182 CB HIS A 96 1.560 11.317 -6.787 1.00 0.00 C ATOM 183 CG HIS A 96 2.596 11.444 -7.876 1.00 0.00 C ATOM 184 ND1 HIS A 96 3.872 10.900 -7.809 1.00 0.00 N ATOM 185 CD2 HIS A 96 2.445 12.042 -9.095 1.00 0.00 C ATOM 186 CE1 HIS A 96 4.449 11.114 -8.999 1.00 0.00 C ATOM 187 NE2 HIS A 96 3.634 11.858 -9.767 1.00 0.00 N ATOM 0 HA HIS A 96 0.150 12.583 -7.832 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.061 11.327 -5.819 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.065 10.350 -6.880 1.00 0.00 H new ATOM 0 HD2 HIS A 96 1.568 12.557 -9.460 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.420 10.745 -9.296 1.00 0.00 H new ATOM 0 HE2 HIS A 96 3.858 12.225 -10.692 1.00 0.00 H new ATOM 195 N PHE A 97 -1.421 10.979 -6.430 1.00 0.00 N ATOM 196 CA PHE A 97 -2.622 10.479 -5.787 1.00 0.00 C ATOM 197 C PHE A 97 -2.344 9.059 -5.329 1.00 0.00 C ATOM 198 O PHE A 97 -2.329 8.127 -6.134 1.00 0.00 O ATOM 199 CB PHE A 97 -3.806 10.603 -6.758 1.00 0.00 C ATOM 200 CG PHE A 97 -4.025 12.039 -7.194 1.00 0.00 C ATOM 201 CD1 PHE A 97 -3.338 12.532 -8.321 1.00 0.00 C ATOM 202 CD2 PHE A 97 -4.820 12.907 -6.418 1.00 0.00 C ATOM 203 CE1 PHE A 97 -3.446 13.885 -8.678 1.00 0.00 C ATOM 204 CE2 PHE A 97 -4.912 14.268 -6.763 1.00 0.00 C ATOM 205 CZ PHE A 97 -4.229 14.749 -7.894 1.00 0.00 C ATOM 0 H PHE A 97 -1.150 10.441 -7.253 1.00 0.00 H new ATOM 0 HA PHE A 97 -2.895 11.060 -4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.625 9.980 -7.634 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.710 10.226 -6.280 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.726 11.867 -8.912 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.357 12.528 -5.561 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.930 14.260 -9.550 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.505 14.941 -6.161 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.307 15.792 -8.163 1.00 0.00 H new ATOM 215 N HIS A 98 -2.056 8.913 -4.037 1.00 0.00 N ATOM 216 CA HIS A 98 -1.779 7.624 -3.423 1.00 0.00 C ATOM 217 C HIS A 98 -3.110 6.943 -3.108 1.00 0.00 C ATOM 218 O HIS A 98 -4.104 7.642 -2.874 1.00 0.00 O ATOM 219 CB HIS A 98 -0.886 7.760 -2.182 1.00 0.00 C ATOM 220 CG HIS A 98 0.241 8.758 -2.310 1.00 0.00 C ATOM 221 ND1 HIS A 98 1.542 8.458 -2.712 1.00 0.00 N ATOM 222 CD2 HIS A 98 0.149 10.103 -2.083 1.00 0.00 C ATOM 223 CE1 HIS A 98 2.191 9.634 -2.725 1.00 0.00 C ATOM 224 NE2 HIS A 98 1.391 10.635 -2.329 1.00 0.00 N ATOM 0 H HIS A 98 -2.009 9.696 -3.385 1.00 0.00 H new ATOM 0 HA HIS A 98 -1.215 7.002 -4.119 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -1.509 8.046 -1.335 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -0.461 6.783 -1.950 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -0.732 10.644 -1.770 1.00 0.00 H new ATOM 0 HE1 HIS A 98 3.224 9.758 -3.017 1.00 0.00 H new ATOM 0 HE2 HIS A 98 1.657 11.615 -2.229 1.00 0.00 H new ATOM 232 N VAL A 99 -3.126 5.612 -3.051 1.00 0.00 N ATOM 233 CA VAL A 99 -4.272 4.752 -2.791 1.00 0.00 C ATOM 234 C VAL A 99 -3.894 3.686 -1.773 1.00 0.00 C ATOM 235 O VAL A 99 -2.810 3.105 -1.851 1.00 0.00 O ATOM 236 CB VAL A 99 -4.721 4.079 -4.114 1.00 0.00 C ATOM 237 CG1 VAL A 99 -5.830 3.036 -3.904 1.00 0.00 C ATOM 238 CG2 VAL A 99 -5.212 5.076 -5.169 1.00 0.00 C ATOM 0 H VAL A 99 -2.274 5.070 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.092 5.350 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.816 3.591 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.104 2.598 -4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.471 2.252 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.703 3.517 -3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.510 4.537 -6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.066 5.629 -4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.410 5.772 -5.413 1.00 0.00 H new ATOM 248 N PHE A 100 -4.762 3.491 -0.782 1.00 0.00 N ATOM 249 CA PHE A 100 -4.623 2.485 0.254 1.00 0.00 C ATOM 250 C PHE A 100 -5.192 1.185 -0.297 1.00 0.00 C ATOM 251 O PHE A 100 -6.202 1.212 -1.005 1.00 0.00 O ATOM 252 CB PHE A 100 -5.403 2.902 1.514 1.00 0.00 C ATOM 253 CG PHE A 100 -5.770 1.739 2.423 1.00 0.00 C ATOM 254 CD1 PHE A 100 -4.844 1.153 3.305 1.00 0.00 C ATOM 255 CD2 PHE A 100 -7.057 1.181 2.307 1.00 0.00 C ATOM 256 CE1 PHE A 100 -5.198 0.001 4.036 1.00 0.00 C ATOM 257 CE2 PHE A 100 -7.411 0.034 3.031 1.00 0.00 C ATOM 258 CZ PHE A 100 -6.479 -0.567 3.891 1.00 0.00 C ATOM 0 H PHE A 100 -5.608 4.051 -0.680 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.575 2.367 0.530 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.806 3.618 2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.315 3.416 1.211 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.862 1.586 3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.781 1.642 1.652 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.484 -0.448 4.710 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.400 -0.387 2.927 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.742 -1.460 4.439 1.00 0.00 H new ATOM 268 N VAL A 101 -4.566 0.061 0.042 1.00 0.00 N ATOM 269 CA VAL A 101 -4.983 -1.272 -0.353 1.00 0.00 C ATOM 270 C VAL A 101 -4.784 -2.140 0.893 1.00 0.00 C ATOM 271 O VAL A 101 -3.745 -2.039 1.552 1.00 0.00 O ATOM 272 CB VAL A 101 -4.192 -1.798 -1.570 1.00 0.00 C ATOM 273 CG1 VAL A 101 -4.937 -3.002 -2.169 1.00 0.00 C ATOM 274 CG2 VAL A 101 -3.999 -0.751 -2.679 1.00 0.00 C ATOM 0 H VAL A 101 -3.725 0.059 0.620 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.021 -1.284 -0.685 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.202 -2.069 -1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.385 -3.380 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.021 -3.788 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.934 -2.693 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.435 -1.192 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.973 -0.422 -3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.452 0.104 -2.281 1.00 0.00 H new ATOM 284 N GLY A 102 -5.737 -3.001 1.237 1.00 0.00 N ATOM 285 CA GLY A 102 -5.639 -3.867 2.402 1.00 0.00 C ATOM 286 C GLY A 102 -6.371 -5.177 2.183 1.00 0.00 C ATOM 287 O GLY A 102 -7.036 -5.354 1.166 1.00 0.00 O ATOM 0 H GLY A 102 -6.603 -3.116 0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.590 -4.067 2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.054 -3.358 3.271 1.00 0.00 H new ATOM 291 N ASP A 103 -6.271 -6.060 3.179 1.00 0.00 N ATOM 292 CA ASP A 103 -6.869 -7.404 3.256 1.00 0.00 C ATOM 293 C ASP A 103 -6.208 -8.430 2.322 1.00 0.00 C ATOM 294 O ASP A 103 -6.671 -9.563 2.218 1.00 0.00 O ATOM 295 CB ASP A 103 -8.400 -7.350 3.078 1.00 0.00 C ATOM 296 CG ASP A 103 -9.144 -8.405 3.895 1.00 0.00 C ATOM 297 OD1 ASP A 103 -8.826 -8.519 5.107 1.00 0.00 O ATOM 298 OD2 ASP A 103 -10.154 -8.953 3.406 1.00 0.00 O ATOM 0 H ASP A 103 -5.731 -5.843 4.017 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.666 -7.767 4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.757 -6.361 3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.640 -7.482 2.023 1.00 0.00 H new ATOM 303 N LEU A 104 -5.099 -8.037 1.684 1.00 0.00 N ATOM 304 CA LEU A 104 -4.301 -8.809 0.736 1.00 0.00 C ATOM 305 C LEU A 104 -3.897 -10.174 1.291 1.00 0.00 C ATOM 306 O LEU A 104 -3.653 -10.312 2.499 1.00 0.00 O ATOM 307 CB LEU A 104 -2.989 -8.054 0.425 1.00 0.00 C ATOM 308 CG LEU A 104 -3.101 -6.594 -0.061 1.00 0.00 C ATOM 309 CD1 LEU A 104 -1.731 -5.905 -0.038 1.00 0.00 C ATOM 310 CD2 LEU A 104 -3.660 -6.523 -1.477 1.00 0.00 C ATOM 0 H LEU A 104 -4.712 -7.105 1.830 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.920 -8.944 -0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.376 -8.062 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.448 -8.620 -0.334 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.782 -6.082 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.835 -4.877 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.340 -5.907 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.043 -6.441 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.727 -5.481 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.001 -7.065 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.653 -6.973 -1.499 1.00 0.00 H new ATOM 322 N SER A 105 -3.755 -11.161 0.402 1.00 0.00 N ATOM 323 CA SER A 105 -3.332 -12.507 0.765 1.00 0.00 C ATOM 324 C SER A 105 -1.887 -12.390 1.300 1.00 0.00 C ATOM 325 O SER A 105 -1.134 -11.527 0.827 1.00 0.00 O ATOM 326 CB SER A 105 -3.443 -13.457 -0.444 1.00 0.00 C ATOM 327 OG SER A 105 -4.454 -13.077 -1.348 1.00 0.00 O ATOM 0 H SER A 105 -3.933 -11.043 -0.595 1.00 0.00 H new ATOM 0 HA SER A 105 -3.973 -12.936 1.535 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.487 -13.485 -0.967 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.642 -14.468 -0.088 1.00 0.00 H new ATOM 0 HG SER A 105 -4.480 -13.711 -2.095 1.00 0.00 H new ATOM 333 N PRO A 106 -1.430 -13.259 2.218 1.00 0.00 N ATOM 334 CA PRO A 106 -0.081 -13.161 2.779 1.00 0.00 C ATOM 335 C PRO A 106 1.049 -13.379 1.767 1.00 0.00 C ATOM 336 O PRO A 106 2.206 -13.057 2.052 1.00 0.00 O ATOM 337 CB PRO A 106 -0.042 -14.157 3.942 1.00 0.00 C ATOM 338 CG PRO A 106 -1.137 -15.165 3.599 1.00 0.00 C ATOM 339 CD PRO A 106 -2.178 -14.331 2.855 1.00 0.00 C ATOM 0 HA PRO A 106 0.107 -12.142 3.116 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.933 -14.638 4.023 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.236 -13.666 4.896 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.755 -15.975 2.978 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.556 -15.621 4.496 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -2.709 -14.932 2.117 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -2.927 -13.934 3.541 1.00 0.00 H new ATOM 347 N GLU A 107 0.740 -13.907 0.586 1.00 0.00 N ATOM 348 CA GLU A 107 1.679 -14.174 -0.496 1.00 0.00 C ATOM 349 C GLU A 107 1.729 -13.035 -1.522 1.00 0.00 C ATOM 350 O GLU A 107 2.633 -13.045 -2.354 1.00 0.00 O ATOM 351 CB GLU A 107 1.282 -15.493 -1.172 1.00 0.00 C ATOM 352 CG GLU A 107 -0.064 -15.373 -1.908 1.00 0.00 C ATOM 353 CD GLU A 107 -0.716 -16.726 -2.155 1.00 0.00 C ATOM 354 OE1 GLU A 107 -0.877 -17.500 -1.190 1.00 0.00 O ATOM 355 OE2 GLU A 107 -1.191 -16.981 -3.286 1.00 0.00 O ATOM 0 H GLU A 107 -0.216 -14.172 0.348 1.00 0.00 H new ATOM 0 HA GLU A 107 2.681 -14.250 -0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.058 -15.788 -1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.218 -16.281 -0.422 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.740 -14.749 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.091 -14.868 -2.862 1.00 0.00 H new ATOM 362 N ILE A 108 0.810 -12.060 -1.474 1.00 0.00 N ATOM 363 CA ILE A 108 0.799 -10.961 -2.439 1.00 0.00 C ATOM 364 C ILE A 108 2.092 -10.164 -2.339 1.00 0.00 C ATOM 365 O ILE A 108 2.641 -9.996 -1.243 1.00 0.00 O ATOM 366 CB ILE A 108 -0.452 -10.077 -2.276 1.00 0.00 C ATOM 367 CG1 ILE A 108 -1.751 -10.841 -2.592 1.00 0.00 C ATOM 368 CG2 ILE A 108 -0.409 -8.859 -3.204 1.00 0.00 C ATOM 369 CD1 ILE A 108 -1.866 -11.365 -4.031 1.00 0.00 C ATOM 0 H ILE A 108 0.067 -12.014 -0.777 1.00 0.00 H new ATOM 0 HA ILE A 108 0.745 -11.379 -3.444 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.448 -9.764 -1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.833 -11.685 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.598 -10.184 -2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.308 -8.260 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.469 -8.256 -2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.358 -9.193 -4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.815 -11.888 -4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.821 -10.528 -4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.044 -12.052 -4.235 1.00 0.00 H new ATOM 381 N THR A 109 2.583 -9.702 -3.485 1.00 0.00 N ATOM 382 CA THR A 109 3.814 -8.931 -3.579 1.00 0.00 C ATOM 383 C THR A 109 3.571 -7.564 -4.225 1.00 0.00 C ATOM 384 O THR A 109 2.476 -7.232 -4.671 1.00 0.00 O ATOM 385 CB THR A 109 4.910 -9.798 -4.230 1.00 0.00 C ATOM 386 OG1 THR A 109 6.160 -9.146 -4.139 1.00 0.00 O ATOM 387 CG2 THR A 109 4.659 -10.113 -5.705 1.00 0.00 C ATOM 0 H THR A 109 2.129 -9.856 -4.386 1.00 0.00 H new ATOM 0 HA THR A 109 4.187 -8.677 -2.587 1.00 0.00 H new ATOM 0 HB THR A 109 4.899 -10.739 -3.680 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.851 -9.704 -4.553 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.474 -10.726 -6.090 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.718 -10.654 -5.807 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.606 -9.183 -6.272 1.00 0.00 H new ATOM 395 N THR A 110 4.605 -6.730 -4.241 1.00 0.00 N ATOM 396 CA THR A 110 4.563 -5.399 -4.816 1.00 0.00 C ATOM 397 C THR A 110 4.272 -5.467 -6.323 1.00 0.00 C ATOM 398 O THR A 110 3.630 -4.564 -6.863 1.00 0.00 O ATOM 399 CB THR A 110 5.885 -4.711 -4.453 1.00 0.00 C ATOM 400 OG1 THR A 110 5.951 -4.546 -3.042 1.00 0.00 O ATOM 401 CG2 THR A 110 6.025 -3.358 -5.135 1.00 0.00 C ATOM 0 H THR A 110 5.514 -6.970 -3.845 1.00 0.00 H new ATOM 0 HA THR A 110 3.746 -4.801 -4.411 1.00 0.00 H new ATOM 0 HB THR A 110 6.704 -5.341 -4.801 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.795 -4.108 -2.803 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.975 -2.904 -4.851 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.995 -3.491 -6.216 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.206 -2.708 -4.826 1.00 0.00 H new ATOM 409 N GLU A 111 4.718 -6.526 -7.005 1.00 0.00 N ATOM 410 CA GLU A 111 4.471 -6.676 -8.434 1.00 0.00 C ATOM 411 C GLU A 111 3.017 -7.057 -8.682 1.00 0.00 C ATOM 412 O GLU A 111 2.457 -6.643 -9.694 1.00 0.00 O ATOM 413 CB GLU A 111 5.362 -7.770 -9.026 1.00 0.00 C ATOM 414 CG GLU A 111 6.841 -7.433 -8.843 1.00 0.00 C ATOM 415 CD GLU A 111 7.651 -7.960 -10.019 1.00 0.00 C ATOM 416 OE1 GLU A 111 7.708 -7.235 -11.038 1.00 0.00 O ATOM 417 OE2 GLU A 111 8.199 -9.083 -9.916 1.00 0.00 O ATOM 0 H GLU A 111 5.251 -7.289 -6.587 1.00 0.00 H new ATOM 0 HA GLU A 111 4.695 -5.722 -8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.141 -8.723 -8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.141 -7.889 -10.087 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.968 -6.354 -8.760 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.209 -7.870 -7.914 1.00 0.00 H new ATOM 424 N ASP A 112 2.405 -7.840 -7.782 1.00 0.00 N ATOM 425 CA ASP A 112 1.013 -8.240 -7.913 1.00 0.00 C ATOM 426 C ASP A 112 0.159 -6.986 -7.905 1.00 0.00 C ATOM 427 O ASP A 112 -0.772 -6.860 -8.701 1.00 0.00 O ATOM 428 CB ASP A 112 0.573 -9.113 -6.750 1.00 0.00 C ATOM 429 CG ASP A 112 1.003 -10.577 -6.815 1.00 0.00 C ATOM 430 OD1 ASP A 112 1.073 -11.169 -7.919 1.00 0.00 O ATOM 431 OD2 ASP A 112 1.320 -11.097 -5.724 1.00 0.00 O ATOM 0 H ASP A 112 2.866 -8.208 -6.950 1.00 0.00 H new ATOM 0 HA ASP A 112 0.901 -8.806 -8.838 1.00 0.00 H new ATOM 0 HB2 ASP A 112 0.963 -8.681 -5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.514 -9.076 -6.684 1.00 0.00 H new ATOM 436 N ILE A 113 0.499 -6.062 -6.998 1.00 0.00 N ATOM 437 CA ILE A 113 -0.223 -4.823 -6.842 1.00 0.00 C ATOM 438 C ILE A 113 -0.035 -4.001 -8.111 1.00 0.00 C ATOM 439 O ILE A 113 -1.020 -3.572 -8.708 1.00 0.00 O ATOM 440 CB ILE A 113 0.217 -4.059 -5.570 1.00 0.00 C ATOM 441 CG1 ILE A 113 -0.145 -4.793 -4.260 1.00 0.00 C ATOM 442 CG2 ILE A 113 -0.525 -2.727 -5.573 1.00 0.00 C ATOM 443 CD1 ILE A 113 0.110 -3.999 -2.976 1.00 0.00 C ATOM 0 H ILE A 113 1.286 -6.166 -6.357 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.285 -5.027 -6.703 1.00 0.00 H new ATOM 0 HB ILE A 113 1.302 -3.956 -5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.199 -5.067 -4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.424 -5.721 -4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.244 -2.152 -4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.262 -2.166 -6.470 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -1.600 -2.909 -5.561 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.176 -4.601 -2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.168 -3.747 -2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.481 -3.083 -2.991 1.00 0.00 H new ATOM 455 N LYS A 114 1.213 -3.743 -8.515 1.00 0.00 N ATOM 456 CA LYS A 114 1.475 -2.951 -9.714 1.00 0.00 C ATOM 457 C LYS A 114 0.679 -3.466 -10.901 1.00 0.00 C ATOM 458 O LYS A 114 0.054 -2.662 -11.581 1.00 0.00 O ATOM 459 CB LYS A 114 2.975 -2.869 -10.006 1.00 0.00 C ATOM 460 CG LYS A 114 3.540 -1.606 -9.361 1.00 0.00 C ATOM 461 CD LYS A 114 5.052 -1.485 -9.567 1.00 0.00 C ATOM 462 CE LYS A 114 5.827 -1.902 -8.318 1.00 0.00 C ATOM 463 NZ LYS A 114 7.282 -1.673 -8.481 1.00 0.00 N ATOM 0 H LYS A 114 2.050 -4.070 -8.032 1.00 0.00 H new ATOM 0 HA LYS A 114 1.134 -1.932 -9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.483 -3.751 -9.615 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.148 -2.852 -11.082 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.045 -0.731 -9.783 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.319 -1.614 -8.294 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.356 -2.108 -10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.303 -0.456 -9.825 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.463 -1.340 -7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.644 -2.956 -8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.779 -1.966 -7.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.633 -2.229 -9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.457 -0.663 -8.655 1.00 0.00 H new ATOM 477 N ALA A 115 0.668 -4.778 -11.115 1.00 0.00 N ATOM 478 CA ALA A 115 -0.070 -5.390 -12.202 1.00 0.00 C ATOM 479 C ALA A 115 -1.577 -5.180 -12.046 1.00 0.00 C ATOM 480 O ALA A 115 -2.228 -4.747 -12.992 1.00 0.00 O ATOM 481 CB ALA A 115 0.266 -6.879 -12.268 1.00 0.00 C ATOM 0 H ALA A 115 1.175 -5.445 -10.533 1.00 0.00 H new ATOM 0 HA ALA A 115 0.226 -4.911 -13.135 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.288 -7.341 -13.085 1.00 0.00 H new ATOM 0 HB2 ALA A 115 1.335 -7.003 -12.439 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -0.009 -7.356 -11.327 1.00 0.00 H new ATOM 487 N ALA A 116 -2.134 -5.448 -10.863 1.00 0.00 N ATOM 488 CA ALA A 116 -3.563 -5.303 -10.611 1.00 0.00 C ATOM 489 C ALA A 116 -4.062 -3.875 -10.784 1.00 0.00 C ATOM 490 O ALA A 116 -5.169 -3.659 -11.271 1.00 0.00 O ATOM 491 CB ALA A 116 -3.851 -5.747 -9.183 1.00 0.00 C ATOM 0 H ALA A 116 -1.604 -5.772 -10.054 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.084 -5.919 -11.344 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.917 -5.645 -8.978 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.556 -6.789 -9.060 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.287 -5.125 -8.488 1.00 0.00 H new ATOM 497 N PHE A 117 -3.260 -2.895 -10.373 1.00 0.00 N ATOM 498 CA PHE A 117 -3.609 -1.491 -10.470 1.00 0.00 C ATOM 499 C PHE A 117 -3.189 -0.907 -11.833 1.00 0.00 C ATOM 500 O PHE A 117 -3.579 0.213 -12.160 1.00 0.00 O ATOM 501 CB PHE A 117 -3.043 -0.763 -9.239 1.00 0.00 C ATOM 502 CG PHE A 117 -3.847 -1.020 -7.963 1.00 0.00 C ATOM 503 CD1 PHE A 117 -3.733 -2.247 -7.275 1.00 0.00 C ATOM 504 CD2 PHE A 117 -4.738 -0.046 -7.471 1.00 0.00 C ATOM 505 CE1 PHE A 117 -4.516 -2.513 -6.139 1.00 0.00 C ATOM 506 CE2 PHE A 117 -5.528 -0.311 -6.335 1.00 0.00 C ATOM 507 CZ PHE A 117 -5.430 -1.551 -5.680 1.00 0.00 C ATOM 0 H PHE A 117 -2.342 -3.061 -9.960 1.00 0.00 H new ATOM 0 HA PHE A 117 -4.689 -1.349 -10.449 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.012 -1.079 -9.081 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.021 0.309 -9.437 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -3.034 -2.992 -7.627 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -4.816 0.910 -7.968 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -4.415 -3.455 -5.620 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.211 0.440 -5.966 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.056 -1.763 -4.826 1.00 0.00 H new ATOM 517 N ALA A 118 -2.439 -1.645 -12.662 1.00 0.00 N ATOM 518 CA ALA A 118 -1.995 -1.187 -13.979 1.00 0.00 C ATOM 519 C ALA A 118 -3.152 -0.851 -14.934 1.00 0.00 C ATOM 520 O ALA A 118 -3.100 0.239 -15.516 1.00 0.00 O ATOM 521 CB ALA A 118 -0.994 -2.148 -14.625 1.00 0.00 C ATOM 0 H ALA A 118 -2.122 -2.587 -12.432 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.473 -0.249 -13.793 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.696 -1.762 -15.600 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -0.115 -2.240 -13.987 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.457 -3.127 -14.748 1.00 0.00 H new ATOM 527 N PRO A 119 -4.209 -1.675 -15.106 1.00 0.00 N ATOM 528 CA PRO A 119 -5.314 -1.334 -16.002 1.00 0.00 C ATOM 529 C PRO A 119 -6.113 -0.116 -15.512 1.00 0.00 C ATOM 530 O PRO A 119 -7.036 0.329 -16.194 1.00 0.00 O ATOM 531 CB PRO A 119 -6.175 -2.592 -16.108 1.00 0.00 C ATOM 532 CG PRO A 119 -5.911 -3.326 -14.802 1.00 0.00 C ATOM 533 CD PRO A 119 -4.447 -2.993 -14.525 1.00 0.00 C ATOM 0 HA PRO A 119 -4.941 -1.034 -16.981 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -7.231 -2.345 -16.222 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.894 -3.197 -16.970 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -6.565 -2.978 -14.002 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -6.071 -4.400 -14.900 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -4.246 -2.988 -13.454 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -3.788 -3.739 -14.970 1.00 0.00 H new ATOM 541 N PHE A 120 -5.785 0.440 -14.341 1.00 0.00 N ATOM 542 CA PHE A 120 -6.439 1.609 -13.774 1.00 0.00 C ATOM 543 C PHE A 120 -5.597 2.856 -14.045 1.00 0.00 C ATOM 544 O PHE A 120 -6.137 3.961 -14.002 1.00 0.00 O ATOM 545 CB PHE A 120 -6.729 1.390 -12.286 1.00 0.00 C ATOM 546 CG PHE A 120 -7.672 0.225 -12.068 1.00 0.00 C ATOM 547 CD1 PHE A 120 -9.054 0.451 -12.088 1.00 0.00 C ATOM 548 CD2 PHE A 120 -7.194 -1.093 -11.956 1.00 0.00 C ATOM 549 CE1 PHE A 120 -9.955 -0.623 -12.023 1.00 0.00 C ATOM 550 CE2 PHE A 120 -8.095 -2.166 -11.846 1.00 0.00 C ATOM 551 CZ PHE A 120 -9.480 -1.935 -11.873 1.00 0.00 C ATOM 0 H PHE A 120 -5.037 0.075 -13.751 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.404 1.765 -14.255 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -5.795 1.207 -11.756 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.164 2.295 -11.862 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -9.430 1.461 -12.154 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -6.131 -1.281 -11.955 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -11.017 -0.439 -12.089 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.720 -3.173 -11.740 1.00 0.00 H new ATOM 0 HZ PHE A 120 -10.172 -2.759 -11.779 1.00 0.00 H new ATOM 561 N GLY A 121 -4.319 2.713 -14.418 1.00 0.00 N ATOM 562 CA GLY A 121 -3.457 3.834 -14.714 1.00 0.00 C ATOM 563 C GLY A 121 -1.985 3.530 -14.487 1.00 0.00 C ATOM 564 O GLY A 121 -1.597 2.482 -13.957 1.00 0.00 O ATOM 0 H GLY A 121 -3.864 1.806 -14.520 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.604 4.134 -15.752 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -3.747 4.682 -14.093 1.00 0.00 H new ATOM 568 N ARG A 122 -1.150 4.472 -14.911 1.00 0.00 N ATOM 569 CA ARG A 122 0.292 4.406 -14.774 1.00 0.00 C ATOM 570 C ARG A 122 0.613 4.761 -13.338 1.00 0.00 C ATOM 571 O ARG A 122 0.226 5.829 -12.860 1.00 0.00 O ATOM 572 CB ARG A 122 0.973 5.404 -15.705 1.00 0.00 C ATOM 573 CG ARG A 122 0.983 4.916 -17.149 1.00 0.00 C ATOM 574 CD ARG A 122 1.125 6.080 -18.132 1.00 0.00 C ATOM 575 NE ARG A 122 0.977 5.595 -19.508 1.00 0.00 N ATOM 576 CZ ARG A 122 -0.179 5.256 -20.092 1.00 0.00 C ATOM 577 NH1 ARG A 122 -1.343 5.405 -19.464 1.00 0.00 N ATOM 578 NH2 ARG A 122 -0.155 4.735 -21.309 1.00 0.00 N ATOM 0 H ARG A 122 -1.471 5.324 -15.371 1.00 0.00 H new ATOM 0 HA ARG A 122 0.650 3.410 -15.034 1.00 0.00 H new ATOM 0 HB2 ARG A 122 0.458 6.363 -15.649 1.00 0.00 H new ATOM 0 HB3 ARG A 122 1.997 5.572 -15.371 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.805 4.215 -17.292 1.00 0.00 H new ATOM 0 HG3 ARG A 122 0.061 4.373 -17.357 1.00 0.00 H new ATOM 0 HD2 ARG A 122 0.371 6.838 -17.922 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.098 6.555 -18.008 1.00 0.00 H new ATOM 0 HE ARG A 122 1.826 5.509 -20.067 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -1.367 5.785 -18.518 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -2.211 5.140 -19.929 1.00 0.00 H new ATOM 0 HH21 ARG A 122 0.735 4.597 -21.787 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -1.027 4.471 -21.768 1.00 0.00 H new ATOM 592 N ILE A 123 1.298 3.856 -12.666 1.00 0.00 N ATOM 593 CA ILE A 123 1.712 3.998 -11.287 1.00 0.00 C ATOM 594 C ILE A 123 3.143 4.560 -11.298 1.00 0.00 C ATOM 595 O ILE A 123 3.829 4.528 -12.328 1.00 0.00 O ATOM 596 CB ILE A 123 1.623 2.591 -10.639 1.00 0.00 C ATOM 597 CG1 ILE A 123 0.202 1.968 -10.736 1.00 0.00 C ATOM 598 CG2 ILE A 123 2.016 2.601 -9.160 1.00 0.00 C ATOM 599 CD1 ILE A 123 0.196 0.441 -10.562 1.00 0.00 C ATOM 0 H ILE A 123 1.591 2.972 -13.081 1.00 0.00 H new ATOM 0 HA ILE A 123 1.087 4.679 -10.709 1.00 0.00 H new ATOM 0 HB ILE A 123 2.328 1.988 -11.211 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.437 2.416 -9.975 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.232 2.218 -11.704 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.936 1.592 -8.756 1.00 0.00 H new ATOM 0 HG22 ILE A 123 3.043 2.952 -9.059 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.349 3.266 -8.611 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.826 0.070 -10.641 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.809 -0.016 -11.339 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.601 0.185 -9.583 1.00 0.00 H new ATOM 611 N SER A 124 3.605 5.093 -10.169 1.00 0.00 N ATOM 612 CA SER A 124 4.952 5.610 -9.987 1.00 0.00 C ATOM 613 C SER A 124 5.506 4.840 -8.788 1.00 0.00 C ATOM 614 O SER A 124 6.459 4.066 -8.932 1.00 0.00 O ATOM 615 CB SER A 124 5.012 7.135 -9.860 1.00 0.00 C ATOM 616 OG SER A 124 6.180 7.604 -10.516 1.00 0.00 O ATOM 0 H SER A 124 3.030 5.178 -9.331 1.00 0.00 H new ATOM 0 HA SER A 124 5.574 5.448 -10.867 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.124 7.586 -10.303 1.00 0.00 H new ATOM 0 HB3 SER A 124 5.027 7.426 -8.810 1.00 0.00 H new ATOM 0 HG SER A 124 6.227 8.580 -10.442 1.00 0.00 H new ATOM 622 N ASP A 125 4.974 5.105 -7.598 1.00 0.00 N ATOM 623 CA ASP A 125 5.353 4.451 -6.351 1.00 0.00 C ATOM 624 C ASP A 125 4.302 3.406 -5.959 1.00 0.00 C ATOM 625 O ASP A 125 3.114 3.685 -6.104 1.00 0.00 O ATOM 626 CB ASP A 125 5.545 5.514 -5.273 1.00 0.00 C ATOM 627 CG ASP A 125 5.980 4.879 -3.964 1.00 0.00 C ATOM 628 OD1 ASP A 125 6.929 4.053 -3.960 1.00 0.00 O ATOM 629 OD2 ASP A 125 5.422 5.238 -2.909 1.00 0.00 O ATOM 0 H ASP A 125 4.243 5.805 -7.472 1.00 0.00 H new ATOM 0 HA ASP A 125 6.296 3.918 -6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 125 6.293 6.238 -5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.614 6.062 -5.126 1.00 0.00 H new ATOM 634 N ALA A 126 4.695 2.209 -5.509 1.00 0.00 N ATOM 635 CA ALA A 126 3.774 1.154 -5.079 1.00 0.00 C ATOM 636 C ALA A 126 4.549 0.101 -4.297 1.00 0.00 C ATOM 637 O ALA A 126 5.666 -0.231 -4.705 1.00 0.00 O ATOM 638 CB ALA A 126 3.103 0.480 -6.282 1.00 0.00 C ATOM 0 H ALA A 126 5.677 1.943 -5.433 1.00 0.00 H new ATOM 0 HA ALA A 126 3.002 1.607 -4.456 1.00 0.00 H new ATOM 0 HB1 ALA A 126 2.425 -0.298 -5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 126 2.541 1.223 -6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 126 3.865 0.036 -6.922 1.00 0.00 H new ATOM 644 N ARG A 127 3.985 -0.422 -3.199 1.00 0.00 N ATOM 645 CA ARG A 127 4.635 -1.450 -2.383 1.00 0.00 C ATOM 646 C ARG A 127 3.670 -2.182 -1.461 1.00 0.00 C ATOM 647 O ARG A 127 2.552 -1.731 -1.213 1.00 0.00 O ATOM 648 CB ARG A 127 5.777 -0.841 -1.547 1.00 0.00 C ATOM 649 CG ARG A 127 5.288 -0.049 -0.327 1.00 0.00 C ATOM 650 CD ARG A 127 6.442 0.601 0.429 1.00 0.00 C ATOM 651 NE ARG A 127 7.357 -0.371 1.054 1.00 0.00 N ATOM 652 CZ ARG A 127 7.656 -0.439 2.357 1.00 0.00 C ATOM 653 NH1 ARG A 127 7.198 0.475 3.207 1.00 0.00 N ATOM 654 NH2 ARG A 127 8.386 -1.445 2.820 1.00 0.00 N ATOM 0 H ARG A 127 3.066 -0.143 -2.854 1.00 0.00 H new ATOM 0 HA ARG A 127 5.035 -2.182 -3.085 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.437 -1.641 -1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 127 6.371 -0.184 -2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.587 0.720 -0.651 1.00 0.00 H new ATOM 0 HG3 ARG A 127 4.744 -0.714 0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 127 7.007 1.230 -0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 127 6.037 1.255 1.201 1.00 0.00 H new ATOM 0 HE ARG A 127 7.802 -1.052 0.439 1.00 0.00 H new ATOM 0 HH11 ARG A 127 6.612 1.238 2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 127 7.432 0.413 4.198 1.00 0.00 H new ATOM 0 HH21 ARG A 127 8.720 -2.168 2.183 1.00 0.00 H new ATOM 0 HH22 ARG A 127 8.613 -1.496 3.813 1.00 0.00 H new ATOM 668 N VAL A 128 4.169 -3.263 -0.870 1.00 0.00 N ATOM 669 CA VAL A 128 3.493 -4.126 0.085 1.00 0.00 C ATOM 670 C VAL A 128 4.165 -3.860 1.430 1.00 0.00 C ATOM 671 O VAL A 128 5.389 -4.001 1.550 1.00 0.00 O ATOM 672 CB VAL A 128 3.624 -5.598 -0.356 1.00 0.00 C ATOM 673 CG1 VAL A 128 3.306 -6.591 0.766 1.00 0.00 C ATOM 674 CG2 VAL A 128 2.656 -5.863 -1.508 1.00 0.00 C ATOM 0 H VAL A 128 5.120 -3.578 -1.060 1.00 0.00 H new ATOM 0 HA VAL A 128 2.424 -3.924 0.152 1.00 0.00 H new ATOM 0 HB VAL A 128 4.662 -5.747 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 128 3.416 -7.609 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.993 -6.433 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 128 2.282 -6.439 1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.743 -6.902 -1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.636 -5.669 -1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 128 2.898 -5.207 -2.344 1.00 0.00 H new ATOM 684 N VAL A 129 3.403 -3.399 2.421 1.00 0.00 N ATOM 685 CA VAL A 129 3.931 -3.135 3.751 1.00 0.00 C ATOM 686 C VAL A 129 4.319 -4.484 4.361 1.00 0.00 C ATOM 687 O VAL A 129 3.638 -5.499 4.184 1.00 0.00 O ATOM 688 CB VAL A 129 2.894 -2.385 4.612 1.00 0.00 C ATOM 689 CG1 VAL A 129 3.443 -2.124 6.025 1.00 0.00 C ATOM 690 CG2 VAL A 129 2.523 -1.056 3.935 1.00 0.00 C ATOM 0 H VAL A 129 2.408 -3.200 2.322 1.00 0.00 H new ATOM 0 HA VAL A 129 4.807 -2.489 3.703 1.00 0.00 H new ATOM 0 HB VAL A 129 2.002 -3.005 4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.694 -1.594 6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.677 -3.074 6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 129 4.347 -1.519 5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.790 -0.529 4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.416 -0.441 3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 129 2.099 -1.255 2.951 1.00 0.00 H new ATOM 700 N LYS A 130 5.432 -4.509 5.092 1.00 0.00 N ATOM 701 CA LYS A 130 5.929 -5.718 5.729 1.00 0.00 C ATOM 702 C LYS A 130 6.298 -5.436 7.166 1.00 0.00 C ATOM 703 O LYS A 130 6.557 -4.293 7.543 1.00 0.00 O ATOM 704 CB LYS A 130 7.138 -6.264 4.955 1.00 0.00 C ATOM 705 CG LYS A 130 6.677 -6.997 3.693 1.00 0.00 C ATOM 706 CD LYS A 130 7.839 -7.374 2.777 1.00 0.00 C ATOM 707 CE LYS A 130 7.539 -7.117 1.302 1.00 0.00 C ATOM 708 NZ LYS A 130 7.504 -5.683 0.954 1.00 0.00 N ATOM 0 H LYS A 130 6.013 -3.687 5.257 1.00 0.00 H new ATOM 0 HA LYS A 130 5.143 -6.473 5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 130 7.805 -5.445 4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 130 7.708 -6.943 5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.136 -7.899 3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.977 -6.366 3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 130 8.723 -6.806 3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 130 8.078 -8.428 2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 130 8.295 -7.613 0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 130 6.580 -7.568 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 7.585 -5.574 -0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 6.606 -5.269 1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 8.296 -5.194 1.417 1.00 0.00 H new ATOM 722 N ASP A 131 6.267 -6.496 7.961 1.00 0.00 N ATOM 723 CA ASP A 131 6.596 -6.522 9.371 1.00 0.00 C ATOM 724 C ASP A 131 8.023 -5.988 9.462 1.00 0.00 C ATOM 725 O ASP A 131 8.934 -6.548 8.854 1.00 0.00 O ATOM 726 CB ASP A 131 6.445 -7.961 9.891 1.00 0.00 C ATOM 727 CG ASP A 131 6.702 -8.081 11.395 1.00 0.00 C ATOM 728 OD1 ASP A 131 7.444 -7.236 11.940 1.00 0.00 O ATOM 729 OD2 ASP A 131 6.100 -8.973 12.043 1.00 0.00 O ATOM 0 H ASP A 131 5.994 -7.415 7.613 1.00 0.00 H new ATOM 0 HA ASP A 131 5.940 -5.911 9.991 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.439 -8.318 9.670 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.139 -8.610 9.356 1.00 0.00 H new ATOM 734 N MET A 132 8.219 -4.867 10.152 1.00 0.00 N ATOM 735 CA MET A 132 9.534 -4.256 10.282 1.00 0.00 C ATOM 736 C MET A 132 10.542 -5.125 11.037 1.00 0.00 C ATOM 737 O MET A 132 11.742 -4.896 10.893 1.00 0.00 O ATOM 738 CB MET A 132 9.404 -2.861 10.908 1.00 0.00 C ATOM 739 CG MET A 132 8.961 -2.927 12.373 1.00 0.00 C ATOM 740 SD MET A 132 8.442 -1.346 13.073 1.00 0.00 S ATOM 741 CE MET A 132 6.847 -1.124 12.241 1.00 0.00 C ATOM 0 H MET A 132 7.475 -4.362 10.633 1.00 0.00 H new ATOM 0 HA MET A 132 9.942 -4.159 9.276 1.00 0.00 H new ATOM 0 HB2 MET A 132 10.361 -2.344 10.842 1.00 0.00 H new ATOM 0 HB3 MET A 132 8.684 -2.274 10.338 1.00 0.00 H new ATOM 0 HG2 MET A 132 8.137 -3.635 12.458 1.00 0.00 H new ATOM 0 HG3 MET A 132 9.783 -3.321 12.970 1.00 0.00 H new ATOM 0 HE1 MET A 132 6.299 -0.310 12.716 1.00 0.00 H new ATOM 0 HE2 MET A 132 7.015 -0.885 11.191 1.00 0.00 H new ATOM 0 HE3 MET A 132 6.267 -2.044 12.316 1.00 0.00 H new ATOM 751 N ALA A 133 10.095 -6.119 11.805 1.00 0.00 N ATOM 752 CA ALA A 133 10.971 -6.981 12.580 1.00 0.00 C ATOM 753 C ALA A 133 11.220 -8.345 11.944 1.00 0.00 C ATOM 754 O ALA A 133 12.168 -9.012 12.352 1.00 0.00 O ATOM 755 CB ALA A 133 10.313 -7.199 13.939 1.00 0.00 C ATOM 0 H ALA A 133 9.105 -6.346 11.904 1.00 0.00 H new ATOM 0 HA ALA A 133 11.940 -6.487 12.646 1.00 0.00 H new ATOM 0 HB1 ALA A 133 10.945 -7.844 14.550 1.00 0.00 H new ATOM 0 HB2 ALA A 133 10.184 -6.239 14.439 1.00 0.00 H new ATOM 0 HB3 ALA A 133 9.340 -7.670 13.801 1.00 0.00 H new ATOM 761 N THR A 134 10.452 -8.757 10.931 1.00 0.00 N ATOM 762 CA THR A 134 10.628 -10.075 10.312 1.00 0.00 C ATOM 763 C THR A 134 10.621 -10.050 8.787 1.00 0.00 C ATOM 764 O THR A 134 11.081 -11.005 8.162 1.00 0.00 O ATOM 765 CB THR A 134 9.539 -11.019 10.843 1.00 0.00 C ATOM 766 OG1 THR A 134 8.303 -10.680 10.249 1.00 0.00 O ATOM 767 CG2 THR A 134 9.375 -10.946 12.369 1.00 0.00 C ATOM 0 H THR A 134 9.703 -8.198 10.522 1.00 0.00 H new ATOM 0 HA THR A 134 11.620 -10.432 10.588 1.00 0.00 H new ATOM 0 HB THR A 134 9.846 -12.033 10.588 1.00 0.00 H new ATOM 0 HG1 THR A 134 7.604 -11.280 10.583 1.00 0.00 H new ATOM 0 HG21 THR A 134 8.591 -11.635 12.684 1.00 0.00 H new ATOM 0 HG22 THR A 134 10.314 -11.220 12.849 1.00 0.00 H new ATOM 0 HG23 THR A 134 9.103 -9.931 12.658 1.00 0.00 H new ATOM 775 N GLY A 135 10.102 -8.982 8.179 1.00 0.00 N ATOM 776 CA GLY A 135 10.021 -8.821 6.732 1.00 0.00 C ATOM 777 C GLY A 135 8.846 -9.571 6.091 1.00 0.00 C ATOM 778 O GLY A 135 8.776 -9.648 4.866 1.00 0.00 O ATOM 0 H GLY A 135 9.719 -8.189 8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 135 9.934 -7.760 6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 135 10.951 -9.171 6.284 1.00 0.00 H new ATOM 782 N LYS A 136 7.924 -10.147 6.871 1.00 0.00 N ATOM 783 CA LYS A 136 6.779 -10.880 6.323 1.00 0.00 C ATOM 784 C LYS A 136 5.688 -9.894 5.931 1.00 0.00 C ATOM 785 O LYS A 136 5.643 -8.779 6.452 1.00 0.00 O ATOM 786 CB LYS A 136 6.299 -11.949 7.313 1.00 0.00 C ATOM 787 CG LYS A 136 7.387 -13.026 7.449 1.00 0.00 C ATOM 788 CD LYS A 136 6.925 -14.235 8.267 1.00 0.00 C ATOM 789 CE LYS A 136 8.050 -15.275 8.402 1.00 0.00 C ATOM 790 NZ LYS A 136 8.363 -15.927 7.108 1.00 0.00 N ATOM 0 H LYS A 136 7.950 -10.119 7.890 1.00 0.00 H new ATOM 0 HA LYS A 136 7.074 -11.415 5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.092 -11.498 8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.368 -12.396 6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 136 7.689 -13.359 6.456 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.268 -12.589 7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 136 6.607 -13.908 9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 136 6.059 -14.692 7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 136 8.946 -14.791 8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 136 7.757 -16.033 9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 9.040 -16.701 7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 7.490 -16.309 6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 8.779 -15.229 6.459 1.00 0.00 H new ATOM 804 N SER A 137 4.817 -10.276 5.001 1.00 0.00 N ATOM 805 CA SER A 137 3.737 -9.434 4.506 1.00 0.00 C ATOM 806 C SER A 137 2.788 -9.037 5.635 1.00 0.00 C ATOM 807 O SER A 137 2.302 -9.888 6.394 1.00 0.00 O ATOM 808 CB SER A 137 3.017 -10.171 3.371 1.00 0.00 C ATOM 809 OG SER A 137 2.389 -9.261 2.494 1.00 0.00 O ATOM 0 H SER A 137 4.844 -11.197 4.564 1.00 0.00 H new ATOM 0 HA SER A 137 4.144 -8.503 4.111 1.00 0.00 H new ATOM 0 HB2 SER A 137 3.732 -10.780 2.818 1.00 0.00 H new ATOM 0 HB3 SER A 137 2.274 -10.851 3.788 1.00 0.00 H new ATOM 0 HG SER A 137 1.938 -9.755 1.778 1.00 0.00 H new ATOM 815 N LYS A 138 2.557 -7.726 5.782 1.00 0.00 N ATOM 816 CA LYS A 138 1.644 -7.229 6.816 1.00 0.00 C ATOM 817 C LYS A 138 0.198 -7.524 6.425 1.00 0.00 C ATOM 818 O LYS A 138 -0.559 -8.036 7.250 1.00 0.00 O ATOM 819 CB LYS A 138 1.829 -5.727 7.102 1.00 0.00 C ATOM 820 CG LYS A 138 2.969 -5.480 8.111 1.00 0.00 C ATOM 821 CD LYS A 138 2.486 -4.686 9.329 1.00 0.00 C ATOM 822 CE LYS A 138 3.596 -4.517 10.374 1.00 0.00 C ATOM 823 NZ LYS A 138 3.073 -3.951 11.633 1.00 0.00 N ATOM 0 H LYS A 138 2.984 -7.000 5.206 1.00 0.00 H new ATOM 0 HA LYS A 138 1.887 -7.756 7.739 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.045 -5.202 6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 138 0.900 -5.313 7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 138 3.378 -6.436 8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.778 -4.938 7.621 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.136 -3.705 9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 138 1.635 -5.196 9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.060 -5.483 10.573 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.375 -3.866 9.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 3.850 -3.850 12.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 2.653 -3.018 11.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 2.348 -4.585 12.024 1.00 0.00 H new ATOM 837 N GLY A 139 -0.202 -7.211 5.198 1.00 0.00 N ATOM 838 CA GLY A 139 -1.555 -7.416 4.691 1.00 0.00 C ATOM 839 C GLY A 139 -2.010 -6.190 3.901 1.00 0.00 C ATOM 840 O GLY A 139 -2.963 -6.283 3.130 1.00 0.00 O ATOM 0 H GLY A 139 0.424 -6.795 4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -1.583 -8.300 4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -2.239 -7.599 5.520 1.00 0.00 H new ATOM 844 N TYR A 140 -1.454 -5.009 4.200 1.00 0.00 N ATOM 845 CA TYR A 140 -1.749 -3.766 3.514 1.00 0.00 C ATOM 846 C TYR A 140 -0.632 -3.383 2.544 1.00 0.00 C ATOM 847 O TYR A 140 0.524 -3.792 2.689 1.00 0.00 O ATOM 848 CB TYR A 140 -2.193 -2.688 4.508 1.00 0.00 C ATOM 849 CG TYR A 140 -1.254 -2.355 5.656 1.00 0.00 C ATOM 850 CD1 TYR A 140 -1.195 -3.157 6.811 1.00 0.00 C ATOM 851 CD2 TYR A 140 -0.521 -1.159 5.617 1.00 0.00 C ATOM 852 CE1 TYR A 140 -0.423 -2.753 7.917 1.00 0.00 C ATOM 853 CE2 TYR A 140 0.208 -0.716 6.731 1.00 0.00 C ATOM 854 CZ TYR A 140 0.256 -1.514 7.893 1.00 0.00 C ATOM 855 OH TYR A 140 0.954 -1.100 8.985 1.00 0.00 O ATOM 0 H TYR A 140 -0.769 -4.900 4.948 1.00 0.00 H new ATOM 0 HA TYR A 140 -2.612 -3.896 2.862 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.377 -1.771 3.948 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.147 -2.998 4.934 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -1.744 -4.086 6.849 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -0.518 -0.569 4.713 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -0.350 -3.391 8.785 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.729 0.230 6.699 1.00 0.00 H new ATOM 0 HH TYR A 140 1.362 -0.228 8.801 1.00 0.00 H new ATOM 865 N GLY A 141 -0.962 -2.539 1.574 1.00 0.00 N ATOM 866 CA GLY A 141 -0.071 -2.030 0.549 1.00 0.00 C ATOM 867 C GLY A 141 -0.536 -0.647 0.112 1.00 0.00 C ATOM 868 O GLY A 141 -1.545 -0.133 0.607 1.00 0.00 O ATOM 0 H GLY A 141 -1.910 -2.174 1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 141 0.948 -1.978 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -0.057 -2.707 -0.305 1.00 0.00 H new ATOM 872 N PHE A 142 0.229 -0.020 -0.774 1.00 0.00 N ATOM 873 CA PHE A 142 -0.067 1.298 -1.307 1.00 0.00 C ATOM 874 C PHE A 142 0.315 1.344 -2.777 1.00 0.00 C ATOM 875 O PHE A 142 1.197 0.603 -3.220 1.00 0.00 O ATOM 876 CB PHE A 142 0.749 2.387 -0.594 1.00 0.00 C ATOM 877 CG PHE A 142 0.401 2.697 0.848 1.00 0.00 C ATOM 878 CD1 PHE A 142 -0.799 3.369 1.155 1.00 0.00 C ATOM 879 CD2 PHE A 142 1.328 2.414 1.869 1.00 0.00 C ATOM 880 CE1 PHE A 142 -1.062 3.771 2.477 1.00 0.00 C ATOM 881 CE2 PHE A 142 1.064 2.816 3.189 1.00 0.00 C ATOM 882 CZ PHE A 142 -0.121 3.507 3.490 1.00 0.00 C ATOM 0 H PHE A 142 1.088 -0.424 -1.147 1.00 0.00 H new ATOM 0 HA PHE A 142 -1.132 1.480 -1.160 1.00 0.00 H new ATOM 0 HB2 PHE A 142 1.799 2.097 -0.631 1.00 0.00 H new ATOM 0 HB3 PHE A 142 0.652 3.309 -1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.517 3.575 0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 142 2.242 1.888 1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -1.984 4.281 2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 142 1.773 2.593 3.973 1.00 0.00 H new ATOM 0 HZ PHE A 142 -0.311 3.837 4.501 1.00 0.00 H new ATOM 892 N VAL A 143 -0.313 2.267 -3.495 1.00 0.00 N ATOM 893 CA VAL A 143 -0.128 2.562 -4.910 1.00 0.00 C ATOM 894 C VAL A 143 -0.149 4.092 -4.999 1.00 0.00 C ATOM 895 O VAL A 143 -0.757 4.740 -4.149 1.00 0.00 O ATOM 896 CB VAL A 143 -1.258 1.900 -5.736 1.00 0.00 C ATOM 897 CG1 VAL A 143 -1.062 2.060 -7.248 1.00 0.00 C ATOM 898 CG2 VAL A 143 -1.317 0.395 -5.462 1.00 0.00 C ATOM 0 H VAL A 143 -1.016 2.873 -3.072 1.00 0.00 H new ATOM 0 HA VAL A 143 0.804 2.168 -5.316 1.00 0.00 H new ATOM 0 HB VAL A 143 -2.174 2.405 -5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -1.884 1.576 -7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -1.042 3.120 -7.502 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -0.120 1.598 -7.544 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -2.118 -0.051 -6.052 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -0.366 -0.062 -5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -1.509 0.225 -4.403 1.00 0.00 H new ATOM 908 N SER A 144 0.471 4.687 -6.009 1.00 0.00 N ATOM 909 CA SER A 144 0.533 6.114 -6.237 1.00 0.00 C ATOM 910 C SER A 144 0.478 6.318 -7.744 1.00 0.00 C ATOM 911 O SER A 144 1.266 5.710 -8.475 1.00 0.00 O ATOM 912 CB SER A 144 1.800 6.660 -5.577 1.00 0.00 C ATOM 913 OG SER A 144 1.751 8.068 -5.469 1.00 0.00 O ATOM 0 H SER A 144 0.968 4.156 -6.724 1.00 0.00 H new ATOM 0 HA SER A 144 -0.297 6.663 -5.793 1.00 0.00 H new ATOM 0 HB2 SER A 144 1.916 6.220 -4.587 1.00 0.00 H new ATOM 0 HB3 SER A 144 2.673 6.367 -6.160 1.00 0.00 H new ATOM 0 HG SER A 144 1.305 8.317 -4.632 1.00 0.00 H new ATOM 919 N PHE A 145 -0.472 7.135 -8.196 1.00 0.00 N ATOM 920 CA PHE A 145 -0.698 7.444 -9.596 1.00 0.00 C ATOM 921 C PHE A 145 -0.411 8.913 -9.891 1.00 0.00 C ATOM 922 O PHE A 145 -0.505 9.787 -9.021 1.00 0.00 O ATOM 923 CB PHE A 145 -2.159 7.145 -9.950 1.00 0.00 C ATOM 924 CG PHE A 145 -2.594 5.698 -9.835 1.00 0.00 C ATOM 925 CD1 PHE A 145 -3.150 5.219 -8.632 1.00 0.00 C ATOM 926 CD2 PHE A 145 -2.532 4.855 -10.960 1.00 0.00 C ATOM 927 CE1 PHE A 145 -3.711 3.932 -8.582 1.00 0.00 C ATOM 928 CE2 PHE A 145 -3.088 3.566 -10.908 1.00 0.00 C ATOM 929 CZ PHE A 145 -3.703 3.119 -9.728 1.00 0.00 C ATOM 0 H PHE A 145 -1.123 7.612 -7.573 1.00 0.00 H new ATOM 0 HA PHE A 145 -0.024 6.830 -10.194 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -2.798 7.747 -9.304 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -2.338 7.476 -10.973 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -3.145 5.841 -7.749 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -2.056 5.200 -11.866 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -4.148 3.568 -7.664 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -3.042 2.921 -11.773 1.00 0.00 H new ATOM 0 HZ PHE A 145 -4.172 2.146 -9.701 1.00 0.00 H new ATOM 939 N PHE A 146 -0.117 9.175 -11.162 1.00 0.00 N ATOM 940 CA PHE A 146 0.178 10.500 -11.696 1.00 0.00 C ATOM 941 C PHE A 146 -1.048 11.413 -11.788 1.00 0.00 C ATOM 942 O PHE A 146 -0.866 12.630 -11.848 1.00 0.00 O ATOM 943 CB PHE A 146 0.741 10.405 -13.123 1.00 0.00 C ATOM 944 CG PHE A 146 1.921 9.489 -13.351 1.00 0.00 C ATOM 945 CD1 PHE A 146 3.054 9.599 -12.530 1.00 0.00 C ATOM 946 CD2 PHE A 146 1.948 8.626 -14.463 1.00 0.00 C ATOM 947 CE1 PHE A 146 4.214 8.875 -12.830 1.00 0.00 C ATOM 948 CE2 PHE A 146 3.112 7.896 -14.754 1.00 0.00 C ATOM 949 CZ PHE A 146 4.247 8.011 -13.937 1.00 0.00 C ATOM 0 H PHE A 146 -0.076 8.444 -11.873 1.00 0.00 H new ATOM 0 HA PHE A 146 0.897 10.922 -10.993 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -0.066 10.083 -13.782 1.00 0.00 H new ATOM 0 HB3 PHE A 146 1.029 11.408 -13.438 1.00 0.00 H new ATOM 0 HD1 PHE A 146 3.031 10.244 -11.664 1.00 0.00 H new ATOM 0 HD2 PHE A 146 1.075 8.526 -15.091 1.00 0.00 H new ATOM 0 HE1 PHE A 146 5.089 8.981 -12.206 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.134 7.241 -15.613 1.00 0.00 H new ATOM 0 HZ PHE A 146 5.137 7.441 -14.157 1.00 0.00 H new ATOM 959 N ASN A 147 -2.269 10.871 -11.850 1.00 0.00 N ATOM 960 CA ASN A 147 -3.495 11.662 -11.962 1.00 0.00 C ATOM 961 C ASN A 147 -4.564 11.097 -11.039 1.00 0.00 C ATOM 962 O ASN A 147 -4.577 9.901 -10.753 1.00 0.00 O ATOM 963 CB ASN A 147 -3.990 11.686 -13.417 1.00 0.00 C ATOM 964 CG ASN A 147 -3.065 12.489 -14.318 1.00 0.00 C ATOM 965 OD1 ASN A 147 -3.104 13.719 -14.320 1.00 0.00 O ATOM 966 ND2 ASN A 147 -2.230 11.822 -15.095 1.00 0.00 N ATOM 0 H ASN A 147 -2.433 9.865 -11.824 1.00 0.00 H new ATOM 0 HA ASN A 147 -3.281 12.687 -11.661 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -4.065 10.665 -13.792 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -4.992 12.113 -13.452 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -1.597 12.327 -15.716 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -2.218 10.802 -15.074 1.00 0.00 H new ATOM 973 N LYS A 148 -5.500 11.946 -10.614 1.00 0.00 N ATOM 974 CA LYS A 148 -6.578 11.570 -9.710 1.00 0.00 C ATOM 975 C LYS A 148 -7.492 10.495 -10.282 1.00 0.00 C ATOM 976 O LYS A 148 -7.748 9.516 -9.598 1.00 0.00 O ATOM 977 CB LYS A 148 -7.357 12.835 -9.319 1.00 0.00 C ATOM 978 CG LYS A 148 -8.596 12.509 -8.480 1.00 0.00 C ATOM 979 CD LYS A 148 -9.084 13.705 -7.664 1.00 0.00 C ATOM 980 CE LYS A 148 -8.502 13.629 -6.246 1.00 0.00 C ATOM 981 NZ LYS A 148 -9.085 14.636 -5.342 1.00 0.00 N ATOM 0 H LYS A 148 -5.528 12.926 -10.894 1.00 0.00 H new ATOM 0 HA LYS A 148 -6.138 11.120 -8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -6.704 13.504 -8.757 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -7.659 13.368 -10.221 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -9.397 12.171 -9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -8.367 11.683 -7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -8.779 14.635 -8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -10.173 13.710 -7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -8.678 12.634 -5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -7.422 13.769 -6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -8.659 14.543 -4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -8.896 15.588 -5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -10.112 14.489 -5.274 1.00 0.00 H new ATOM 995 N TRP A 149 -7.960 10.658 -11.515 1.00 0.00 N ATOM 996 CA TRP A 149 -8.868 9.734 -12.195 1.00 0.00 C ATOM 997 C TRP A 149 -8.343 8.307 -12.229 1.00 0.00 C ATOM 998 O TRP A 149 -9.137 7.370 -12.188 1.00 0.00 O ATOM 999 CB TRP A 149 -9.161 10.208 -13.630 1.00 0.00 C ATOM 1000 CG TRP A 149 -8.746 11.610 -13.934 1.00 0.00 C ATOM 1001 CD1 TRP A 149 -7.815 11.970 -14.841 1.00 0.00 C ATOM 1002 CD2 TRP A 149 -9.131 12.825 -13.234 1.00 0.00 C ATOM 1003 NE1 TRP A 149 -7.625 13.336 -14.774 1.00 0.00 N ATOM 1004 CE2 TRP A 149 -8.415 13.917 -13.802 1.00 0.00 C ATOM 1005 CE3 TRP A 149 -9.990 13.097 -12.148 1.00 0.00 C ATOM 1006 CZ2 TRP A 149 -8.583 15.230 -13.335 1.00 0.00 C ATOM 1007 CZ3 TRP A 149 -10.152 14.406 -11.664 1.00 0.00 C ATOM 1008 CH2 TRP A 149 -9.459 15.473 -12.263 1.00 0.00 C ATOM 0 H TRP A 149 -7.711 11.463 -12.090 1.00 0.00 H new ATOM 0 HA TRP A 149 -9.790 9.733 -11.613 1.00 0.00 H new ATOM 0 HB2 TRP A 149 -8.657 9.538 -14.327 1.00 0.00 H new ATOM 0 HB3 TRP A 149 -10.231 10.115 -13.815 1.00 0.00 H new ATOM 0 HD1 TRP A 149 -7.301 11.298 -15.512 1.00 0.00 H new ATOM 0 HE1 TRP A 149 -6.979 13.853 -15.370 1.00 0.00 H new ATOM 0 HE3 TRP A 149 -10.531 12.287 -11.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 -8.044 16.045 -13.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 -10.811 14.593 -10.829 1.00 0.00 H new ATOM 0 HH2 TRP A 149 -9.600 16.480 -11.899 1.00 0.00 H new ATOM 1019 N ASP A 150 -7.025 8.143 -12.346 1.00 0.00 N ATOM 1020 CA ASP A 150 -6.397 6.831 -12.395 1.00 0.00 C ATOM 1021 C ASP A 150 -6.598 6.152 -11.035 1.00 0.00 C ATOM 1022 O ASP A 150 -7.024 4.999 -10.949 1.00 0.00 O ATOM 1023 CB ASP A 150 -4.897 6.950 -12.735 1.00 0.00 C ATOM 1024 CG ASP A 150 -4.571 7.206 -14.213 1.00 0.00 C ATOM 1025 OD1 ASP A 150 -5.451 7.634 -14.991 1.00 0.00 O ATOM 1026 OD2 ASP A 150 -3.410 6.970 -14.624 1.00 0.00 O ATOM 0 H ASP A 150 -6.366 8.919 -12.409 1.00 0.00 H new ATOM 0 HA ASP A 150 -6.856 6.230 -13.180 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -4.471 7.759 -12.142 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -4.398 6.032 -12.425 1.00 0.00 H new ATOM 1031 N ALA A 151 -6.316 6.898 -9.961 1.00 0.00 N ATOM 1032 CA ALA A 151 -6.448 6.449 -8.586 1.00 0.00 C ATOM 1033 C ALA A 151 -7.909 6.183 -8.220 1.00 0.00 C ATOM 1034 O ALA A 151 -8.220 5.110 -7.710 1.00 0.00 O ATOM 1035 CB ALA A 151 -5.830 7.496 -7.648 1.00 0.00 C ATOM 0 H ALA A 151 -5.980 7.858 -10.036 1.00 0.00 H new ATOM 0 HA ALA A 151 -5.914 5.505 -8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -5.928 7.162 -6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.775 7.624 -7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -6.348 8.447 -7.772 1.00 0.00 H new ATOM 1041 N GLU A 152 -8.801 7.150 -8.460 1.00 0.00 N ATOM 1042 CA GLU A 152 -10.226 7.053 -8.153 1.00 0.00 C ATOM 1043 C GLU A 152 -10.853 5.803 -8.759 1.00 0.00 C ATOM 1044 O GLU A 152 -11.600 5.100 -8.079 1.00 0.00 O ATOM 1045 CB GLU A 152 -10.978 8.301 -8.633 1.00 0.00 C ATOM 1046 CG GLU A 152 -10.671 9.536 -7.794 1.00 0.00 C ATOM 1047 CD GLU A 152 -11.693 10.650 -8.025 1.00 0.00 C ATOM 1048 OE1 GLU A 152 -12.037 10.956 -9.188 1.00 0.00 O ATOM 1049 OE2 GLU A 152 -12.188 11.206 -7.016 1.00 0.00 O ATOM 0 H GLU A 152 -8.543 8.041 -8.883 1.00 0.00 H new ATOM 0 HA GLU A 152 -10.313 6.983 -7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -10.717 8.500 -9.672 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -12.050 8.106 -8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -10.662 9.265 -6.738 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -9.674 9.902 -8.038 1.00 0.00 H new ATOM 1056 N ASN A 153 -10.549 5.522 -10.027 1.00 0.00 N ATOM 1057 CA ASN A 153 -11.057 4.357 -10.744 1.00 0.00 C ATOM 1058 C ASN A 153 -10.741 3.102 -9.934 1.00 0.00 C ATOM 1059 O ASN A 153 -11.628 2.290 -9.685 1.00 0.00 O ATOM 1060 CB ASN A 153 -10.405 4.346 -12.132 1.00 0.00 C ATOM 1061 CG ASN A 153 -10.999 3.380 -13.150 1.00 0.00 C ATOM 1062 OD1 ASN A 153 -11.557 2.343 -12.827 1.00 0.00 O ATOM 1063 ND2 ASN A 153 -10.821 3.693 -14.424 1.00 0.00 N ATOM 0 H ASN A 153 -9.933 6.108 -10.591 1.00 0.00 H new ATOM 0 HA ASN A 153 -12.139 4.391 -10.873 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -10.460 5.354 -12.544 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -9.348 4.109 -12.011 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -11.152 3.063 -15.155 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -10.353 4.564 -14.675 1.00 0.00 H new ATOM 1070 N ALA A 154 -9.494 2.978 -9.468 1.00 0.00 N ATOM 1071 CA ALA A 154 -9.070 1.841 -8.676 1.00 0.00 C ATOM 1072 C ALA A 154 -9.770 1.816 -7.313 1.00 0.00 C ATOM 1073 O ALA A 154 -10.263 0.763 -6.932 1.00 0.00 O ATOM 1074 CB ALA A 154 -7.550 1.833 -8.526 1.00 0.00 C ATOM 0 H ALA A 154 -8.759 3.666 -9.634 1.00 0.00 H new ATOM 0 HA ALA A 154 -9.363 0.932 -9.201 1.00 0.00 H new ATOM 0 HB1 ALA A 154 -7.248 0.973 -7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 154 -7.087 1.771 -9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 154 -7.228 2.749 -8.031 1.00 0.00 H new ATOM 1080 N ILE A 155 -9.840 2.922 -6.560 1.00 0.00 N ATOM 1081 CA ILE A 155 -10.506 2.944 -5.253 1.00 0.00 C ATOM 1082 C ILE A 155 -11.924 2.367 -5.372 1.00 0.00 C ATOM 1083 O ILE A 155 -12.341 1.583 -4.515 1.00 0.00 O ATOM 1084 CB ILE A 155 -10.592 4.380 -4.675 1.00 0.00 C ATOM 1085 CG1 ILE A 155 -9.225 5.064 -4.473 1.00 0.00 C ATOM 1086 CG2 ILE A 155 -11.332 4.360 -3.320 1.00 0.00 C ATOM 1087 CD1 ILE A 155 -9.373 6.585 -4.304 1.00 0.00 C ATOM 0 H ILE A 155 -9.440 3.818 -6.837 1.00 0.00 H new ATOM 0 HA ILE A 155 -9.908 2.334 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 155 -11.135 4.961 -5.421 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -8.734 4.646 -3.594 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -8.582 4.853 -5.328 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -11.388 5.373 -2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -12.340 3.970 -3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -10.791 3.723 -2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -8.389 7.033 -4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -9.840 7.006 -5.194 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -9.995 6.796 -3.434 1.00 0.00 H new ATOM 1099 N GLN A 156 -12.643 2.778 -6.413 1.00 0.00 N ATOM 1100 CA GLN A 156 -14.006 2.380 -6.696 1.00 0.00 C ATOM 1101 C GLN A 156 -14.122 0.920 -7.126 1.00 0.00 C ATOM 1102 O GLN A 156 -14.681 0.095 -6.406 1.00 0.00 O ATOM 1103 CB GLN A 156 -14.552 3.298 -7.803 1.00 0.00 C ATOM 1104 CG GLN A 156 -14.687 4.752 -7.337 1.00 0.00 C ATOM 1105 CD GLN A 156 -14.953 5.736 -8.469 1.00 0.00 C ATOM 1106 OE1 GLN A 156 -15.868 6.557 -8.389 1.00 0.00 O ATOM 1107 NE2 GLN A 156 -14.169 5.706 -9.529 1.00 0.00 N ATOM 0 H GLN A 156 -12.270 3.425 -7.108 1.00 0.00 H new ATOM 0 HA GLN A 156 -14.587 2.477 -5.779 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -13.889 3.256 -8.667 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -15.525 2.931 -8.129 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -15.498 4.818 -6.612 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -13.773 5.045 -6.820 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -13.414 5.022 -9.586 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -14.318 6.366 -10.292 1.00 0.00 H new ATOM 1116 N GLN A 157 -13.592 0.613 -8.305 1.00 0.00 N ATOM 1117 CA GLN A 157 -13.640 -0.690 -8.937 1.00 0.00 C ATOM 1118 C GLN A 157 -12.854 -1.786 -8.220 1.00 0.00 C ATOM 1119 O GLN A 157 -13.374 -2.896 -8.133 1.00 0.00 O ATOM 1120 CB GLN A 157 -13.186 -0.508 -10.389 1.00 0.00 C ATOM 1121 CG GLN A 157 -14.143 0.390 -11.210 1.00 0.00 C ATOM 1122 CD GLN A 157 -15.041 -0.439 -12.126 1.00 0.00 C ATOM 1123 OE1 GLN A 157 -16.105 -0.921 -11.729 1.00 0.00 O ATOM 1124 NE2 GLN A 157 -14.611 -0.677 -13.352 1.00 0.00 N ATOM 0 H GLN A 157 -13.095 1.303 -8.869 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.666 -1.055 -8.886 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -12.187 -0.072 -10.400 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.113 -1.485 -10.867 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -14.759 0.981 -10.533 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -13.562 1.092 -11.807 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -13.730 -0.274 -13.671 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -15.160 -1.264 -13.980 1.00 0.00 H new ATOM 1133 N MET A 158 -11.631 -1.541 -7.735 1.00 0.00 N ATOM 1134 CA MET A 158 -10.858 -2.577 -7.038 1.00 0.00 C ATOM 1135 C MET A 158 -11.361 -2.818 -5.614 1.00 0.00 C ATOM 1136 O MET A 158 -11.103 -3.887 -5.060 1.00 0.00 O ATOM 1137 CB MET A 158 -9.353 -2.256 -6.997 1.00 0.00 C ATOM 1138 CG MET A 158 -8.672 -2.380 -8.363 1.00 0.00 C ATOM 1139 SD MET A 158 -8.707 -4.046 -9.101 1.00 0.00 S ATOM 1140 CE MET A 158 -8.082 -5.044 -7.727 1.00 0.00 C ATOM 0 H MET A 158 -11.157 -0.641 -7.811 1.00 0.00 H new ATOM 0 HA MET A 158 -11.005 -3.487 -7.619 1.00 0.00 H new ATOM 0 HB2 MET A 158 -9.214 -1.243 -6.620 1.00 0.00 H new ATOM 0 HB3 MET A 158 -8.864 -2.928 -6.292 1.00 0.00 H new ATOM 0 HG2 MET A 158 -9.149 -1.684 -9.053 1.00 0.00 H new ATOM 0 HG3 MET A 158 -7.633 -2.067 -8.263 1.00 0.00 H new ATOM 0 HE1 MET A 158 -7.599 -5.940 -8.118 1.00 0.00 H new ATOM 0 HE2 MET A 158 -7.359 -4.463 -7.155 1.00 0.00 H new ATOM 0 HE3 MET A 158 -8.911 -5.331 -7.080 1.00 0.00 H new ATOM 1150 N GLY A 159 -12.068 -1.864 -5.007 1.00 0.00 N ATOM 1151 CA GLY A 159 -12.587 -2.019 -3.657 1.00 0.00 C ATOM 1152 C GLY A 159 -13.589 -3.162 -3.604 1.00 0.00 C ATOM 1153 O GLY A 159 -14.667 -3.062 -4.192 1.00 0.00 O ATOM 0 H GLY A 159 -12.294 -0.968 -5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.767 -2.213 -2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.064 -1.093 -3.335 1.00 0.00 H new ATOM 1157 N GLY A 160 -13.238 -4.245 -2.911 1.00 0.00 N ATOM 1158 CA GLY A 160 -14.065 -5.431 -2.761 1.00 0.00 C ATOM 1159 C GLY A 160 -13.738 -6.516 -3.783 1.00 0.00 C ATOM 1160 O GLY A 160 -14.326 -7.597 -3.714 1.00 0.00 O ATOM 0 H GLY A 160 -12.344 -4.318 -2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -13.935 -5.834 -1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -15.114 -5.151 -2.859 1.00 0.00 H new ATOM 1164 N GLN A 161 -12.856 -6.261 -4.752 1.00 0.00 N ATOM 1165 CA GLN A 161 -12.495 -7.271 -5.738 1.00 0.00 C ATOM 1166 C GLN A 161 -11.597 -8.321 -5.086 1.00 0.00 C ATOM 1167 O GLN A 161 -11.194 -8.190 -3.928 1.00 0.00 O ATOM 1168 CB GLN A 161 -11.781 -6.617 -6.939 1.00 0.00 C ATOM 1169 CG GLN A 161 -12.745 -5.861 -7.863 1.00 0.00 C ATOM 1170 CD GLN A 161 -13.509 -6.796 -8.797 1.00 0.00 C ATOM 1171 OE1 GLN A 161 -13.980 -7.855 -8.391 1.00 0.00 O ATOM 1172 NE2 GLN A 161 -13.624 -6.461 -10.066 1.00 0.00 N ATOM 0 H GLN A 161 -12.382 -5.366 -4.871 1.00 0.00 H new ATOM 0 HA GLN A 161 -13.400 -7.756 -6.104 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -11.020 -5.928 -6.572 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.264 -7.387 -7.512 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -13.455 -5.296 -7.259 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -12.184 -5.138 -8.456 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -13.231 -5.580 -10.399 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -14.106 -7.082 -10.716 1.00 0.00 H new ATOM 1181 N TRP A 162 -11.337 -9.400 -5.817 1.00 0.00 N ATOM 1182 CA TRP A 162 -10.471 -10.478 -5.392 1.00 0.00 C ATOM 1183 C TRP A 162 -9.156 -10.252 -6.126 1.00 0.00 C ATOM 1184 O TRP A 162 -9.145 -9.823 -7.287 1.00 0.00 O ATOM 1185 CB TRP A 162 -11.061 -11.848 -5.727 1.00 0.00 C ATOM 1186 CG TRP A 162 -12.178 -12.349 -4.860 1.00 0.00 C ATOM 1187 CD1 TRP A 162 -13.384 -11.767 -4.681 1.00 0.00 C ATOM 1188 CD2 TRP A 162 -12.198 -13.532 -4.007 1.00 0.00 C ATOM 1189 NE1 TRP A 162 -14.183 -12.567 -3.889 1.00 0.00 N ATOM 1190 CE2 TRP A 162 -13.485 -13.647 -3.403 1.00 0.00 C ATOM 1191 CE3 TRP A 162 -11.245 -14.511 -3.665 1.00 0.00 C ATOM 1192 CZ2 TRP A 162 -13.805 -14.670 -2.500 1.00 0.00 C ATOM 1193 CZ3 TRP A 162 -11.554 -15.537 -2.756 1.00 0.00 C ATOM 1194 CH2 TRP A 162 -12.824 -15.614 -2.168 1.00 0.00 C ATOM 0 H TRP A 162 -11.736 -9.546 -6.744 1.00 0.00 H new ATOM 0 HA TRP A 162 -10.339 -10.475 -4.310 1.00 0.00 H new ATOM 0 HB2 TRP A 162 -11.421 -11.818 -6.756 1.00 0.00 H new ATOM 0 HB3 TRP A 162 -10.254 -12.580 -5.693 1.00 0.00 H new ATOM 0 HD1 TRP A 162 -13.680 -10.815 -5.097 1.00 0.00 H new ATOM 0 HE1 TRP A 162 -15.166 -12.381 -3.690 1.00 0.00 H new ATOM 0 HE3 TRP A 162 -10.261 -14.473 -4.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 -14.792 -14.730 -2.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 -10.805 -16.274 -2.508 1.00 0.00 H new ATOM 0 HH2 TRP A 162 -13.046 -16.399 -1.461 1.00 0.00 H new ATOM 1205 N LEU A 163 -8.046 -10.549 -5.462 1.00 0.00 N ATOM 1206 CA LEU A 163 -6.711 -10.392 -5.998 1.00 0.00 C ATOM 1207 C LEU A 163 -5.830 -11.518 -5.495 1.00 0.00 C ATOM 1208 O LEU A 163 -5.703 -11.725 -4.289 1.00 0.00 O ATOM 1209 CB LEU A 163 -6.168 -9.037 -5.545 1.00 0.00 C ATOM 1210 CG LEU A 163 -4.702 -8.780 -5.926 1.00 0.00 C ATOM 1211 CD1 LEU A 163 -4.454 -8.811 -7.437 1.00 0.00 C ATOM 1212 CD2 LEU A 163 -4.307 -7.416 -5.353 1.00 0.00 C ATOM 0 H LEU A 163 -8.056 -10.915 -4.510 1.00 0.00 H new ATOM 0 HA LEU A 163 -6.726 -10.430 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -6.786 -8.249 -5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -6.267 -8.963 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 163 -4.092 -9.582 -5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -3.399 -8.622 -7.637 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -4.728 -9.790 -7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -5.058 -8.043 -7.921 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -3.269 -7.202 -5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -4.950 -6.644 -5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -4.421 -7.430 -4.269 1.00 0.00 H new ATOM 1224 N GLY A 164 -5.247 -12.260 -6.431 1.00 0.00 N ATOM 1225 CA GLY A 164 -4.347 -13.365 -6.169 1.00 0.00 C ATOM 1226 C GLY A 164 -4.923 -14.512 -5.349 1.00 0.00 C ATOM 1227 O GLY A 164 -4.173 -15.434 -5.038 1.00 0.00 O ATOM 0 H GLY A 164 -5.397 -12.098 -7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -4.004 -13.763 -7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -3.469 -12.979 -5.651 1.00 0.00 H new ATOM 1231 N GLY A 165 -6.205 -14.492 -4.982 1.00 0.00 N ATOM 1232 CA GLY A 165 -6.837 -15.551 -4.210 1.00 0.00 C ATOM 1233 C GLY A 165 -7.691 -15.080 -3.044 1.00 0.00 C ATOM 1234 O GLY A 165 -8.424 -15.916 -2.522 1.00 0.00 O ATOM 0 H GLY A 165 -6.838 -13.728 -5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -7.460 -16.145 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -6.060 -16.213 -3.827 1.00 0.00 H new ATOM 1238 N ARG A 166 -7.628 -13.813 -2.608 1.00 0.00 N ATOM 1239 CA ARG A 166 -8.457 -13.316 -1.494 1.00 0.00 C ATOM 1240 C ARG A 166 -9.013 -11.934 -1.832 1.00 0.00 C ATOM 1241 O ARG A 166 -8.542 -11.306 -2.781 1.00 0.00 O ATOM 1242 CB ARG A 166 -7.638 -13.295 -0.190 1.00 0.00 C ATOM 1243 CG ARG A 166 -7.424 -14.709 0.372 1.00 0.00 C ATOM 1244 CD ARG A 166 -6.392 -14.736 1.501 1.00 0.00 C ATOM 1245 NE ARG A 166 -6.590 -15.903 2.375 1.00 0.00 N ATOM 1246 CZ ARG A 166 -7.077 -15.882 3.621 1.00 0.00 C ATOM 1247 NH1 ARG A 166 -7.369 -14.739 4.232 1.00 0.00 N ATOM 1248 NH2 ARG A 166 -7.263 -17.019 4.278 1.00 0.00 N ATOM 0 H ARG A 166 -7.009 -13.109 -3.011 1.00 0.00 H new ATOM 0 HA ARG A 166 -9.301 -13.989 -1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -6.671 -12.827 -0.376 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -8.151 -12.683 0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -8.373 -15.098 0.741 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -7.098 -15.371 -0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -5.388 -14.761 1.079 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -6.468 -13.821 2.089 1.00 0.00 H new ATOM 0 HE ARG A 166 -6.332 -16.814 1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -7.223 -13.852 3.751 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -7.739 -14.749 5.182 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -7.035 -17.908 3.833 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -7.634 -17.004 5.228 1.00 0.00 H new ATOM 1262 N GLN A 167 -10.050 -11.485 -1.121 1.00 0.00 N ATOM 1263 CA GLN A 167 -10.642 -10.166 -1.356 1.00 0.00 C ATOM 1264 C GLN A 167 -9.713 -9.067 -0.838 1.00 0.00 C ATOM 1265 O GLN A 167 -8.825 -9.324 -0.028 1.00 0.00 O ATOM 1266 CB GLN A 167 -12.043 -10.037 -0.734 1.00 0.00 C ATOM 1267 CG GLN A 167 -13.104 -10.710 -1.586 1.00 0.00 C ATOM 1268 CD GLN A 167 -14.521 -10.403 -1.111 1.00 0.00 C ATOM 1269 OE1 GLN A 167 -15.081 -11.070 -0.243 1.00 0.00 O ATOM 1270 NE2 GLN A 167 -15.155 -9.397 -1.685 1.00 0.00 N ATOM 0 H GLN A 167 -10.498 -12.018 -0.375 1.00 0.00 H new ATOM 0 HA GLN A 167 -10.762 -10.049 -2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -12.041 -10.481 0.261 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -12.290 -8.983 -0.612 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -12.993 -10.385 -2.621 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -12.946 -11.788 -1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -14.689 -8.845 -2.405 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -16.111 -9.172 -1.409 1.00 0.00 H new ATOM 1279 N ILE A 168 -9.939 -7.829 -1.287 1.00 0.00 N ATOM 1280 CA ILE A 168 -9.156 -6.656 -0.909 1.00 0.00 C ATOM 1281 C ILE A 168 -10.067 -5.455 -0.629 1.00 0.00 C ATOM 1282 O ILE A 168 -11.227 -5.421 -1.048 1.00 0.00 O ATOM 1283 CB ILE A 168 -8.108 -6.323 -1.998 1.00 0.00 C ATOM 1284 CG1 ILE A 168 -8.761 -5.827 -3.306 1.00 0.00 C ATOM 1285 CG2 ILE A 168 -7.199 -7.532 -2.274 1.00 0.00 C ATOM 1286 CD1 ILE A 168 -7.762 -5.237 -4.294 1.00 0.00 C ATOM 0 H ILE A 168 -10.692 -7.613 -1.940 1.00 0.00 H new ATOM 0 HA ILE A 168 -8.621 -6.886 0.012 1.00 0.00 H new ATOM 0 HB ILE A 168 -7.498 -5.507 -1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 168 -9.283 -6.658 -3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 168 -9.512 -5.074 -3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 168 -6.471 -7.272 -3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 168 -6.676 -7.811 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 168 -7.804 -8.372 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 168 -8.288 -4.908 -5.191 1.00 0.00 H new ATOM 0 HD12 ILE A 168 -7.257 -4.386 -3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 168 -7.025 -5.994 -4.562 1.00 0.00 H new ATOM 1298 N ARG A 169 -9.528 -4.436 0.044 1.00 0.00 N ATOM 1299 CA ARG A 169 -10.214 -3.187 0.381 1.00 0.00 C ATOM 1300 C ARG A 169 -9.368 -2.023 -0.116 1.00 0.00 C ATOM 1301 O ARG A 169 -8.144 -2.154 -0.151 1.00 0.00 O ATOM 1302 CB ARG A 169 -10.516 -3.071 1.886 1.00 0.00 C ATOM 1303 CG ARG A 169 -9.351 -3.204 2.882 1.00 0.00 C ATOM 1304 CD ARG A 169 -9.787 -2.677 4.262 1.00 0.00 C ATOM 1305 NE ARG A 169 -8.921 -3.141 5.372 1.00 0.00 N ATOM 1306 CZ ARG A 169 -8.570 -2.431 6.460 1.00 0.00 C ATOM 1307 NH1 ARG A 169 -8.932 -1.160 6.612 1.00 0.00 N ATOM 1308 NH2 ARG A 169 -7.831 -2.985 7.415 1.00 0.00 N ATOM 0 H ARG A 169 -8.566 -4.459 0.382 1.00 0.00 H new ATOM 0 HA ARG A 169 -11.185 -3.172 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -10.988 -2.103 2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -11.254 -3.833 2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -9.044 -4.247 2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -8.488 -2.643 2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -9.787 -1.587 4.243 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -10.812 -2.992 4.455 1.00 0.00 H new ATOM 0 HE ARG A 169 -8.556 -4.091 5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -9.490 -0.699 5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -8.652 -0.646 7.447 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -7.526 -3.954 7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -7.569 -2.441 8.237 1.00 0.00 H new ATOM 1322 N THR A 170 -9.986 -0.891 -0.454 1.00 0.00 N ATOM 1323 CA THR A 170 -9.311 0.312 -0.944 1.00 0.00 C ATOM 1324 C THR A 170 -9.995 1.556 -0.364 1.00 0.00 C ATOM 1325 O THR A 170 -11.166 1.491 0.038 1.00 0.00 O ATOM 1326 CB THR A 170 -9.355 0.356 -2.489 1.00 0.00 C ATOM 1327 OG1 THR A 170 -10.686 0.104 -2.875 1.00 0.00 O ATOM 1328 CG2 THR A 170 -8.464 -0.697 -3.155 1.00 0.00 C ATOM 0 H THR A 170 -10.998 -0.782 -0.393 1.00 0.00 H new ATOM 0 HA THR A 170 -8.269 0.292 -0.625 1.00 0.00 H new ATOM 0 HB THR A 170 -8.990 1.333 -2.806 1.00 0.00 H new ATOM 0 HG1 THR A 170 -11.002 0.830 -3.453 1.00 0.00 H new ATOM 0 HG21 THR A 170 -8.544 -0.609 -4.238 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.428 -0.541 -2.853 1.00 0.00 H new ATOM 0 HG23 THR A 170 -8.785 -1.692 -2.848 1.00 0.00 H new ATOM 1336 N ASN A 171 -9.280 2.685 -0.293 1.00 0.00 N ATOM 1337 CA ASN A 171 -9.762 3.977 0.212 1.00 0.00 C ATOM 1338 C ASN A 171 -8.682 5.046 -0.018 1.00 0.00 C ATOM 1339 O ASN A 171 -7.580 4.720 -0.470 1.00 0.00 O ATOM 1340 CB ASN A 171 -10.115 3.895 1.718 1.00 0.00 C ATOM 1341 CG ASN A 171 -10.820 5.134 2.257 1.00 0.00 C ATOM 1342 OD1 ASN A 171 -10.624 5.524 3.403 1.00 0.00 O ATOM 1343 ND2 ASN A 171 -11.666 5.788 1.475 1.00 0.00 N ATOM 0 H ASN A 171 -8.308 2.725 -0.599 1.00 0.00 H new ATOM 0 HA ASN A 171 -10.670 4.245 -0.329 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -10.751 3.026 1.885 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -9.199 3.734 2.287 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -12.152 6.613 1.827 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -11.831 5.467 0.521 1.00 0.00 H new ATOM 1350 N TRP A 172 -8.988 6.318 0.264 1.00 0.00 N ATOM 1351 CA TRP A 172 -8.050 7.420 0.121 1.00 0.00 C ATOM 1352 C TRP A 172 -6.948 7.243 1.162 1.00 0.00 C ATOM 1353 O TRP A 172 -7.221 7.315 2.362 1.00 0.00 O ATOM 1354 CB TRP A 172 -8.741 8.789 0.242 1.00 0.00 C ATOM 1355 CG TRP A 172 -9.354 9.306 -1.029 1.00 0.00 C ATOM 1356 CD1 TRP A 172 -10.673 9.460 -1.273 1.00 0.00 C ATOM 1357 CD2 TRP A 172 -8.680 9.720 -2.260 1.00 0.00 C ATOM 1358 NE1 TRP A 172 -10.861 9.916 -2.562 1.00 0.00 N ATOM 1359 CE2 TRP A 172 -9.667 10.038 -3.238 1.00 0.00 C ATOM 1360 CE3 TRP A 172 -7.331 9.845 -2.657 1.00 0.00 C ATOM 1361 CZ2 TRP A 172 -9.330 10.378 -4.558 1.00 0.00 C ATOM 1362 CZ3 TRP A 172 -6.982 10.137 -3.991 1.00 0.00 C ATOM 1363 CH2 TRP A 172 -7.983 10.370 -4.951 1.00 0.00 C ATOM 0 H TRP A 172 -9.906 6.606 0.601 1.00 0.00 H new ATOM 0 HA TRP A 172 -7.617 7.401 -0.879 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -9.520 8.720 1.001 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -8.012 9.517 0.598 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -11.463 9.257 -0.565 1.00 0.00 H new ATOM 0 HE1 TRP A 172 -11.772 10.136 -2.965 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -6.550 9.714 -1.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 -10.102 10.644 -5.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -5.942 10.182 -4.277 1.00 0.00 H new ATOM 0 HH2 TRP A 172 -7.717 10.542 -5.984 1.00 0.00 H new ATOM 1374 N ALA A 173 -5.708 7.037 0.701 1.00 0.00 N ATOM 1375 CA ALA A 173 -4.542 6.844 1.565 1.00 0.00 C ATOM 1376 C ALA A 173 -4.286 8.038 2.495 1.00 0.00 C ATOM 1377 O ALA A 173 -3.610 7.890 3.511 1.00 0.00 O ATOM 1378 CB ALA A 173 -3.303 6.601 0.701 1.00 0.00 C ATOM 0 H ALA A 173 -5.486 7.000 -0.294 1.00 0.00 H new ATOM 0 HA ALA A 173 -4.749 5.980 2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -2.434 6.457 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -3.454 5.711 0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -3.137 7.462 0.053 1.00 0.00 H new