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 138 LYS NZ :NH3+ -118:sc= 0.0983 (180deg=0) USER MOD Set 1.2: A 140 TYR OH : rot 180:sc= 0.0996 USER MOD Set 2.1: A 98 HIS : no HD1:sc= 0.114 K(o=0.63,f=-2.9) USER MOD Set 2.2: A 144 SER OG : rot -133:sc= 0.514 USER MOD Single : A 96 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 105 SER OG : rot -156:sc= 0.752 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot -103:sc= 1.22 USER MOD Single : A 136 LYS NZ :NH3+ 159:sc= -0.0566 (180deg=-0.37) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= 0.713 K(o=0.71,f=0) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 ASN : amide:sc=-0.000275 K(o=-0.00028,f=-1.3) USER MOD Single : A 156 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 158 MET CE :methyl -159:sc= -0.569 (180deg=-1.24) USER MOD Single : A 161 GLN : amide:sc= -0.0283 X(o=-0.028,f=-0.034) USER MOD Single : A 167 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 170 THR OG1 : rot 161:sc= 1.05 USER MOD Single : A 171 ASN : amide:sc= 0.33 K(o=0.33,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 2.067 13.650 -6.797 1.00 0.00 N ATOM 179 CA HIS A 96 1.221 12.507 -7.135 1.00 0.00 C ATOM 180 C HIS A 96 0.147 12.282 -6.080 1.00 0.00 C ATOM 181 O HIS A 96 0.078 12.998 -5.079 1.00 0.00 O ATOM 182 CB HIS A 96 2.121 11.277 -7.323 1.00 0.00 C ATOM 183 CG HIS A 96 3.083 11.379 -8.482 1.00 0.00 C ATOM 184 ND1 HIS A 96 4.222 10.590 -8.621 1.00 0.00 N ATOM 185 CD2 HIS A 96 3.036 12.280 -9.509 1.00 0.00 C ATOM 186 CE1 HIS A 96 4.854 11.054 -9.706 1.00 0.00 C ATOM 187 NE2 HIS A 96 4.170 12.074 -10.256 1.00 0.00 N ATOM 0 HA HIS A 96 0.688 12.701 -8.066 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.690 11.115 -6.408 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.491 10.399 -7.466 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.261 13.009 -9.696 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.786 10.663 -10.088 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.446 12.602 -11.084 1.00 0.00 H new ATOM 195 N PHE A 97 -0.707 11.291 -6.314 1.00 0.00 N ATOM 196 CA PHE A 97 -1.814 10.904 -5.456 1.00 0.00 C ATOM 197 C PHE A 97 -1.478 9.516 -4.921 1.00 0.00 C ATOM 198 O PHE A 97 -1.021 8.687 -5.715 1.00 0.00 O ATOM 199 CB PHE A 97 -3.102 10.909 -6.300 1.00 0.00 C ATOM 200 CG PHE A 97 -3.361 12.216 -7.032 1.00 0.00 C ATOM 201 CD1 PHE A 97 -2.733 12.472 -8.269 1.00 0.00 C ATOM 202 CD2 PHE A 97 -4.177 13.205 -6.453 1.00 0.00 C ATOM 203 CE1 PHE A 97 -2.887 13.717 -8.902 1.00 0.00 C ATOM 204 CE2 PHE A 97 -4.347 14.444 -7.095 1.00 0.00 C ATOM 205 CZ PHE A 97 -3.700 14.700 -8.316 1.00 0.00 C ATOM 0 H PHE A 97 -0.640 10.709 -7.149 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.969 11.585 -4.619 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.048 10.101 -7.030 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -3.950 10.695 -5.650 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.130 11.706 -8.733 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.674 13.012 -5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.382 13.917 -9.836 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.976 15.200 -6.649 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.828 15.655 -8.804 1.00 0.00 H new ATOM 215 N HIS A 98 -1.740 9.208 -3.644 1.00 0.00 N ATOM 216 CA HIS A 98 -1.441 7.897 -3.050 1.00 0.00 C ATOM 217 C HIS A 98 -2.737 7.224 -2.568 1.00 0.00 C ATOM 218 O HIS A 98 -3.635 7.894 -2.043 1.00 0.00 O ATOM 219 CB HIS A 98 -0.389 8.008 -1.928 1.00 0.00 C ATOM 220 CG HIS A 98 0.835 8.865 -2.200 1.00 0.00 C ATOM 221 ND1 HIS A 98 1.254 9.326 -3.451 1.00 0.00 N ATOM 222 CD2 HIS A 98 1.676 9.375 -1.252 1.00 0.00 C ATOM 223 CE1 HIS A 98 2.308 10.121 -3.228 1.00 0.00 C ATOM 224 NE2 HIS A 98 2.599 10.160 -1.919 1.00 0.00 N ATOM 0 H HIS A 98 -2.167 9.864 -2.990 1.00 0.00 H new ATOM 0 HA HIS A 98 -1.002 7.262 -3.819 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -0.884 8.400 -1.040 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -0.048 7.002 -1.685 1.00 0.00 H new ATOM 0 HD2 HIS A 98 1.629 9.199 -0.187 1.00 0.00 H new ATOM 0 HE1 HIS A 98 2.848 10.656 -3.995 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.366 10.678 -1.491 1.00 0.00 H new ATOM 232 N VAL A 99 -2.842 5.906 -2.715 1.00 0.00 N ATOM 233 CA VAL A 99 -3.972 5.055 -2.353 1.00 0.00 C ATOM 234 C VAL A 99 -3.506 3.961 -1.384 1.00 0.00 C ATOM 235 O VAL A 99 -2.320 3.603 -1.340 1.00 0.00 O ATOM 236 CB VAL A 99 -4.572 4.427 -3.646 1.00 0.00 C ATOM 237 CG1 VAL A 99 -5.668 3.392 -3.377 1.00 0.00 C ATOM 238 CG2 VAL A 99 -5.165 5.450 -4.619 1.00 0.00 C ATOM 0 H VAL A 99 -2.080 5.363 -3.122 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.741 5.648 -1.857 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.702 3.948 -4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.038 2.999 -4.324 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.260 2.576 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.488 3.863 -2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.562 4.933 -5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.968 5.998 -4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.388 6.148 -4.932 1.00 0.00 H new ATOM 248 N PHE A 100 -4.447 3.474 -0.583 1.00 0.00 N ATOM 249 CA PHE A 100 -4.366 2.404 0.397 1.00 0.00 C ATOM 250 C PHE A 100 -5.030 1.159 -0.182 1.00 0.00 C ATOM 251 O PHE A 100 -6.065 1.261 -0.848 1.00 0.00 O ATOM 252 CB PHE A 100 -5.087 2.832 1.690 1.00 0.00 C ATOM 253 CG PHE A 100 -5.553 1.672 2.560 1.00 0.00 C ATOM 254 CD1 PHE A 100 -4.678 0.889 3.333 1.00 0.00 C ATOM 255 CD2 PHE A 100 -6.917 1.313 2.484 1.00 0.00 C ATOM 256 CE1 PHE A 100 -5.179 -0.236 4.022 1.00 0.00 C ATOM 257 CE2 PHE A 100 -7.414 0.205 3.181 1.00 0.00 C ATOM 258 CZ PHE A 100 -6.542 -0.582 3.944 1.00 0.00 C ATOM 0 H PHE A 100 -5.389 3.865 -0.610 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.323 2.189 0.631 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.417 3.463 2.274 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -5.950 3.443 1.426 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.631 1.146 3.399 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.588 1.903 1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.509 -0.839 4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.464 -0.042 3.131 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.913 -1.449 4.470 1.00 0.00 H new ATOM 268 N VAL A 101 -4.439 -0.001 0.093 1.00 0.00 N ATOM 269 CA VAL A 101 -4.906 -1.319 -0.307 1.00 0.00 C ATOM 270 C VAL A 101 -4.795 -2.170 0.962 1.00 0.00 C ATOM 271 O VAL A 101 -3.813 -2.021 1.692 1.00 0.00 O ATOM 272 CB VAL A 101 -4.080 -1.919 -1.467 1.00 0.00 C ATOM 273 CG1 VAL A 101 -4.894 -3.027 -2.151 1.00 0.00 C ATOM 274 CG2 VAL A 101 -3.656 -0.896 -2.530 1.00 0.00 C ATOM 0 H VAL A 101 -3.574 -0.045 0.631 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.924 -1.278 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.165 -2.306 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.314 -3.452 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.126 -3.808 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.821 -2.608 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.081 -1.397 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.543 -0.440 -2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.043 -0.123 -2.067 1.00 0.00 H new ATOM 284 N GLY A 102 -5.748 -3.052 1.248 1.00 0.00 N ATOM 285 CA GLY A 102 -5.714 -3.898 2.437 1.00 0.00 C ATOM 286 C GLY A 102 -6.359 -5.249 2.179 1.00 0.00 C ATOM 287 O GLY A 102 -6.868 -5.477 1.082 1.00 0.00 O ATOM 0 H GLY A 102 -6.568 -3.201 0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.681 -4.042 2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.231 -3.397 3.256 1.00 0.00 H new ATOM 291 N ASP A 103 -6.352 -6.101 3.209 1.00 0.00 N ATOM 292 CA ASP A 103 -6.900 -7.468 3.280 1.00 0.00 C ATOM 293 C ASP A 103 -6.124 -8.511 2.456 1.00 0.00 C ATOM 294 O ASP A 103 -6.421 -9.705 2.510 1.00 0.00 O ATOM 295 CB ASP A 103 -8.406 -7.450 2.951 1.00 0.00 C ATOM 296 CG ASP A 103 -9.135 -8.693 3.460 1.00 0.00 C ATOM 297 OD1 ASP A 103 -8.808 -9.169 4.576 1.00 0.00 O ATOM 298 OD2 ASP A 103 -10.129 -9.114 2.832 1.00 0.00 O ATOM 0 H ASP A 103 -5.926 -5.832 4.096 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.770 -7.805 4.308 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.859 -6.562 3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.537 -7.373 1.872 1.00 0.00 H new ATOM 303 N LEU A 104 -5.081 -8.059 1.754 1.00 0.00 N ATOM 304 CA LEU A 104 -4.206 -8.828 0.880 1.00 0.00 C ATOM 305 C LEU A 104 -3.701 -10.130 1.500 1.00 0.00 C ATOM 306 O LEU A 104 -3.277 -10.155 2.667 1.00 0.00 O ATOM 307 CB LEU A 104 -2.937 -8.030 0.516 1.00 0.00 C ATOM 308 CG LEU A 104 -3.105 -6.575 0.047 1.00 0.00 C ATOM 309 CD1 LEU A 104 -1.726 -5.911 -0.012 1.00 0.00 C ATOM 310 CD2 LEU A 104 -3.778 -6.503 -1.320 1.00 0.00 C ATOM 0 H LEU A 104 -4.811 -7.076 1.788 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.829 -9.046 0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.284 -8.025 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.414 -8.575 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.745 -6.051 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.833 -4.878 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.271 -5.929 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.091 -6.453 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.881 -5.460 -1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.170 -7.034 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.764 -6.964 -1.265 1.00 0.00 H new ATOM 322 N SER A 105 -3.673 -11.186 0.682 1.00 0.00 N ATOM 323 CA SER A 105 -3.161 -12.481 1.102 1.00 0.00 C ATOM 324 C SER A 105 -1.672 -12.243 1.434 1.00 0.00 C ATOM 325 O SER A 105 -1.027 -11.403 0.787 1.00 0.00 O ATOM 326 CB SER A 105 -3.366 -13.515 -0.020 1.00 0.00 C ATOM 327 OG SER A 105 -2.940 -14.782 0.424 1.00 0.00 O ATOM 0 H SER A 105 -4.004 -11.162 -0.283 1.00 0.00 H new ATOM 0 HA SER A 105 -3.680 -12.885 1.971 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.417 -13.553 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.804 -13.221 -0.907 1.00 0.00 H new ATOM 0 HG SER A 105 -2.705 -15.337 -0.348 1.00 0.00 H new ATOM 333 N PRO A 106 -1.061 -12.958 2.397 1.00 0.00 N ATOM 334 CA PRO A 106 0.346 -12.747 2.752 1.00 0.00 C ATOM 335 C PRO A 106 1.324 -13.025 1.602 1.00 0.00 C ATOM 336 O PRO A 106 2.477 -12.572 1.653 1.00 0.00 O ATOM 337 CB PRO A 106 0.605 -13.657 3.960 1.00 0.00 C ATOM 338 CG PRO A 106 -0.475 -14.731 3.831 1.00 0.00 C ATOM 339 CD PRO A 106 -1.658 -13.981 3.241 1.00 0.00 C ATOM 0 HA PRO A 106 0.522 -11.697 2.985 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.606 -14.088 3.931 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.519 -13.112 4.900 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.154 -15.546 3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.721 -15.170 4.798 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -2.301 -14.646 2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -2.276 -13.539 4.022 1.00 0.00 H new ATOM 347 N GLU A 107 0.879 -13.755 0.576 1.00 0.00 N ATOM 348 CA GLU A 107 1.671 -14.109 -0.592 1.00 0.00 C ATOM 349 C GLU A 107 1.826 -12.937 -1.568 1.00 0.00 C ATOM 350 O GLU A 107 2.828 -12.879 -2.279 1.00 0.00 O ATOM 351 CB GLU A 107 1.017 -15.318 -1.290 1.00 0.00 C ATOM 352 CG GLU A 107 -0.300 -14.966 -2.008 1.00 0.00 C ATOM 353 CD GLU A 107 -1.160 -16.197 -2.250 1.00 0.00 C ATOM 354 OE1 GLU A 107 -0.977 -16.889 -3.274 1.00 0.00 O ATOM 355 OE2 GLU A 107 -2.036 -16.465 -1.381 1.00 0.00 O ATOM 0 H GLU A 107 -0.071 -14.124 0.540 1.00 0.00 H new ATOM 0 HA GLU A 107 2.676 -14.368 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.718 -15.734 -2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.824 -16.095 -0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.858 -14.245 -1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.077 -14.486 -2.961 1.00 0.00 H new ATOM 362 N ILE A 108 0.885 -11.984 -1.567 1.00 0.00 N ATOM 363 CA ILE A 108 0.857 -10.822 -2.448 1.00 0.00 C ATOM 364 C ILE A 108 2.120 -10.004 -2.291 1.00 0.00 C ATOM 365 O ILE A 108 2.470 -9.593 -1.176 1.00 0.00 O ATOM 366 CB ILE A 108 -0.429 -9.997 -2.216 1.00 0.00 C ATOM 367 CG1 ILE A 108 -1.680 -10.861 -2.449 1.00 0.00 C ATOM 368 CG2 ILE A 108 -0.532 -8.727 -3.076 1.00 0.00 C ATOM 369 CD1 ILE A 108 -1.729 -11.562 -3.812 1.00 0.00 C ATOM 0 H ILE A 108 0.093 -12.008 -0.925 1.00 0.00 H new ATOM 0 HA ILE A 108 0.831 -11.158 -3.485 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.371 -9.672 -1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.735 -11.616 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.564 -10.231 -2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.464 -8.209 -2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.310 -8.071 -2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.516 -9.000 -4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.645 -12.148 -3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.709 -10.815 -4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.867 -12.222 -3.913 1.00 0.00 H new ATOM 381 N THR A 109 2.815 -9.784 -3.394 1.00 0.00 N ATOM 382 CA THR A 109 4.048 -9.019 -3.441 1.00 0.00 C ATOM 383 C THR A 109 3.770 -7.662 -4.101 1.00 0.00 C ATOM 384 O THR A 109 2.662 -7.385 -4.566 1.00 0.00 O ATOM 385 CB THR A 109 5.134 -9.896 -4.091 1.00 0.00 C ATOM 386 OG1 THR A 109 6.431 -9.403 -3.809 1.00 0.00 O ATOM 387 CG2 THR A 109 4.983 -10.037 -5.606 1.00 0.00 C ATOM 0 H THR A 109 2.529 -10.142 -4.305 1.00 0.00 H new ATOM 0 HA THR A 109 4.439 -8.764 -2.456 1.00 0.00 H new ATOM 0 HB THR A 109 5.000 -10.883 -3.649 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.100 -9.980 -4.233 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.783 -10.668 -5.994 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.019 -10.491 -5.835 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.040 -9.053 -6.070 1.00 0.00 H new ATOM 395 N THR A 110 4.777 -6.793 -4.138 1.00 0.00 N ATOM 396 CA THR A 110 4.664 -5.465 -4.725 1.00 0.00 C ATOM 397 C THR A 110 4.210 -5.525 -6.196 1.00 0.00 C ATOM 398 O THR A 110 3.486 -4.637 -6.663 1.00 0.00 O ATOM 399 CB THR A 110 6.035 -4.784 -4.552 1.00 0.00 C ATOM 400 OG1 THR A 110 6.369 -4.653 -3.181 1.00 0.00 O ATOM 401 CG2 THR A 110 6.122 -3.421 -5.216 1.00 0.00 C ATOM 0 H THR A 110 5.702 -6.995 -3.757 1.00 0.00 H new ATOM 0 HA THR A 110 3.893 -4.882 -4.221 1.00 0.00 H new ATOM 0 HB THR A 110 6.749 -5.439 -5.052 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.244 -4.220 -3.097 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.114 -3.000 -5.054 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.942 -3.525 -6.286 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.372 -2.758 -4.785 1.00 0.00 H new ATOM 409 N GLU A 111 4.631 -6.574 -6.904 1.00 0.00 N ATOM 410 CA GLU A 111 4.343 -6.834 -8.307 1.00 0.00 C ATOM 411 C GLU A 111 2.869 -7.164 -8.541 1.00 0.00 C ATOM 412 O GLU A 111 2.280 -6.660 -9.498 1.00 0.00 O ATOM 413 CB GLU A 111 5.233 -7.982 -8.817 1.00 0.00 C ATOM 414 CG GLU A 111 6.710 -7.745 -8.478 1.00 0.00 C ATOM 415 CD GLU A 111 7.638 -8.801 -9.083 1.00 0.00 C ATOM 416 OE1 GLU A 111 7.948 -8.710 -10.294 1.00 0.00 O ATOM 417 OE2 GLU A 111 8.145 -9.675 -8.336 1.00 0.00 O ATOM 0 H GLU A 111 5.213 -7.301 -6.488 1.00 0.00 H new ATOM 0 HA GLU A 111 4.562 -5.923 -8.865 1.00 0.00 H new ATOM 0 HB2 GLU A 111 4.904 -8.922 -8.375 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.118 -8.080 -9.896 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.006 -6.760 -8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.832 -7.739 -7.395 1.00 0.00 H new ATOM 424 N ASP A 112 2.278 -7.985 -7.666 1.00 0.00 N ATOM 425 CA ASP A 112 0.871 -8.405 -7.743 1.00 0.00 C ATOM 426 C ASP A 112 -0.024 -7.174 -7.804 1.00 0.00 C ATOM 427 O ASP A 112 -0.878 -7.035 -8.678 1.00 0.00 O ATOM 428 CB ASP A 112 0.458 -9.219 -6.515 1.00 0.00 C ATOM 429 CG ASP A 112 0.853 -10.691 -6.569 1.00 0.00 C ATOM 430 OD1 ASP A 112 0.363 -11.420 -7.449 1.00 0.00 O ATOM 431 OD2 ASP A 112 1.672 -11.093 -5.705 1.00 0.00 O ATOM 0 H ASP A 112 2.772 -8.385 -6.868 1.00 0.00 H new ATOM 0 HA ASP A 112 0.762 -9.021 -8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 112 0.905 -8.768 -5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.623 -9.150 -6.396 1.00 0.00 H new ATOM 436 N ILE A 113 0.199 -6.268 -6.849 1.00 0.00 N ATOM 437 CA ILE A 113 -0.542 -5.026 -6.732 1.00 0.00 C ATOM 438 C ILE A 113 -0.349 -4.203 -8.007 1.00 0.00 C ATOM 439 O ILE A 113 -1.333 -3.762 -8.599 1.00 0.00 O ATOM 440 CB ILE A 113 -0.079 -4.259 -5.481 1.00 0.00 C ATOM 441 CG1 ILE A 113 -0.291 -5.076 -4.189 1.00 0.00 C ATOM 442 CG2 ILE A 113 -0.779 -2.899 -5.391 1.00 0.00 C ATOM 443 CD1 ILE A 113 -0.094 -4.279 -2.894 1.00 0.00 C ATOM 0 H ILE A 113 0.911 -6.386 -6.129 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.606 -5.231 -6.617 1.00 0.00 H new ATOM 0 HB ILE A 113 0.993 -4.091 -5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.300 -5.489 -4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.399 -5.920 -4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.438 -2.372 -4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.541 -2.308 -6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -1.857 -3.048 -5.334 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.262 -4.931 -2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.923 -3.888 -2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.802 -3.451 -2.865 1.00 0.00 H new ATOM 455 N LYS A 114 0.902 -3.946 -8.411 1.00 0.00 N ATOM 456 CA LYS A 114 1.155 -3.167 -9.616 1.00 0.00 C ATOM 457 C LYS A 114 0.380 -3.696 -10.812 1.00 0.00 C ATOM 458 O LYS A 114 -0.194 -2.882 -11.530 1.00 0.00 O ATOM 459 CB LYS A 114 2.649 -3.118 -9.929 1.00 0.00 C ATOM 460 CG LYS A 114 3.240 -1.811 -9.403 1.00 0.00 C ATOM 461 CD LYS A 114 4.741 -1.780 -9.657 1.00 0.00 C ATOM 462 CE LYS A 114 5.508 -2.283 -8.441 1.00 0.00 C ATOM 463 NZ LYS A 114 6.929 -2.477 -8.776 1.00 0.00 N ATOM 0 H LYS A 114 1.740 -4.264 -7.924 1.00 0.00 H new ATOM 0 HA LYS A 114 0.804 -2.154 -9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.155 -3.968 -9.471 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.808 -3.194 -11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.762 -0.963 -9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.041 -1.716 -8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.980 -2.397 -10.523 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.053 -0.763 -9.894 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.415 -1.569 -7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.078 -3.223 -8.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.440 -2.820 -7.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.013 -3.175 -9.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.339 -1.573 -9.085 1.00 0.00 H new ATOM 477 N ALA A 115 0.363 -5.011 -11.018 1.00 0.00 N ATOM 478 CA ALA A 115 -0.351 -5.628 -12.124 1.00 0.00 C ATOM 479 C ALA A 115 -1.859 -5.392 -11.995 1.00 0.00 C ATOM 480 O ALA A 115 -2.506 -4.968 -12.949 1.00 0.00 O ATOM 481 CB ALA A 115 -0.024 -7.126 -12.171 1.00 0.00 C ATOM 0 H ALA A 115 0.848 -5.678 -10.417 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.029 -5.171 -13.060 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.559 -7.589 -13.000 1.00 0.00 H new ATOM 0 HB2 ALA A 115 1.049 -7.260 -12.311 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -0.329 -7.595 -11.235 1.00 0.00 H new ATOM 487 N ALA A 116 -2.410 -5.619 -10.802 1.00 0.00 N ATOM 488 CA ALA A 116 -3.827 -5.466 -10.513 1.00 0.00 C ATOM 489 C ALA A 116 -4.366 -4.068 -10.803 1.00 0.00 C ATOM 490 O ALA A 116 -5.419 -3.941 -11.428 1.00 0.00 O ATOM 491 CB ALA A 116 -4.074 -5.827 -9.052 1.00 0.00 C ATOM 0 H ALA A 116 -1.866 -5.921 -9.994 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.365 -6.139 -11.180 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -5.134 -5.716 -8.824 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.771 -6.859 -8.876 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.493 -5.164 -8.410 1.00 0.00 H new ATOM 497 N PHE A 117 -3.652 -3.030 -10.355 1.00 0.00 N ATOM 498 CA PHE A 117 -4.031 -1.635 -10.528 1.00 0.00 C ATOM 499 C PHE A 117 -3.559 -1.040 -11.872 1.00 0.00 C ATOM 500 O PHE A 117 -3.920 0.087 -12.204 1.00 0.00 O ATOM 501 CB PHE A 117 -3.480 -0.864 -9.315 1.00 0.00 C ATOM 502 CG PHE A 117 -4.243 -1.117 -8.019 1.00 0.00 C ATOM 503 CD1 PHE A 117 -4.028 -2.290 -7.268 1.00 0.00 C ATOM 504 CD2 PHE A 117 -5.200 -0.190 -7.568 1.00 0.00 C ATOM 505 CE1 PHE A 117 -4.772 -2.552 -6.106 1.00 0.00 C ATOM 506 CE2 PHE A 117 -5.944 -0.448 -6.405 1.00 0.00 C ATOM 507 CZ PHE A 117 -5.736 -1.629 -5.675 1.00 0.00 C ATOM 0 H PHE A 117 -2.773 -3.146 -9.850 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.117 -1.551 -10.571 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.435 -1.137 -9.168 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.503 0.203 -9.535 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -3.280 -2.998 -7.591 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -5.363 0.725 -8.119 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -4.603 -3.460 -5.547 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.681 0.267 -6.070 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.316 -1.826 -4.785 1.00 0.00 H new ATOM 517 N ALA A 118 -2.780 -1.778 -12.666 1.00 0.00 N ATOM 518 CA ALA A 118 -2.242 -1.346 -13.957 1.00 0.00 C ATOM 519 C ALA A 118 -3.299 -0.932 -14.987 1.00 0.00 C ATOM 520 O ALA A 118 -3.137 0.121 -15.617 1.00 0.00 O ATOM 521 CB ALA A 118 -1.337 -2.426 -14.558 1.00 0.00 C ATOM 0 H ALA A 118 -2.497 -2.726 -12.419 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.668 -0.447 -13.732 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.949 -2.083 -15.517 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -0.507 -2.624 -13.880 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.911 -3.341 -14.705 1.00 0.00 H new ATOM 527 N PRO A 119 -4.384 -1.699 -15.219 1.00 0.00 N ATOM 528 CA PRO A 119 -5.376 -1.300 -16.203 1.00 0.00 C ATOM 529 C PRO A 119 -6.162 -0.058 -15.769 1.00 0.00 C ATOM 530 O PRO A 119 -6.885 0.498 -16.597 1.00 0.00 O ATOM 531 CB PRO A 119 -6.252 -2.527 -16.429 1.00 0.00 C ATOM 532 CG PRO A 119 -6.193 -3.258 -15.096 1.00 0.00 C ATOM 533 CD PRO A 119 -4.780 -2.961 -14.602 1.00 0.00 C ATOM 0 HA PRO A 119 -4.910 -0.990 -17.138 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -7.273 -2.248 -16.689 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.874 -3.146 -17.243 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -6.949 -2.891 -14.401 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -6.362 -4.328 -15.215 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -4.757 -2.886 -13.515 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -4.095 -3.761 -14.881 1.00 0.00 H new ATOM 541 N PHE A 120 -5.937 0.469 -14.558 1.00 0.00 N ATOM 542 CA PHE A 120 -6.673 1.648 -14.095 1.00 0.00 C ATOM 543 C PHE A 120 -5.847 2.918 -14.304 1.00 0.00 C ATOM 544 O PHE A 120 -6.423 4.007 -14.398 1.00 0.00 O ATOM 545 CB PHE A 120 -7.073 1.471 -12.624 1.00 0.00 C ATOM 546 CG PHE A 120 -8.046 0.325 -12.424 1.00 0.00 C ATOM 547 CD1 PHE A 120 -9.430 0.561 -12.505 1.00 0.00 C ATOM 548 CD2 PHE A 120 -7.577 -0.993 -12.261 1.00 0.00 C ATOM 549 CE1 PHE A 120 -10.338 -0.508 -12.458 1.00 0.00 C ATOM 550 CE2 PHE A 120 -8.485 -2.062 -12.216 1.00 0.00 C ATOM 551 CZ PHE A 120 -9.867 -1.822 -12.312 1.00 0.00 C ATOM 0 H PHE A 120 -5.259 0.102 -13.890 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.584 1.753 -14.684 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -6.179 1.294 -12.026 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.523 2.394 -12.259 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -9.797 1.572 -12.604 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -6.517 -1.181 -12.171 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -11.399 -0.320 -12.534 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -8.121 -3.073 -12.107 1.00 0.00 H new ATOM 0 HZ PHE A 120 -10.564 -2.646 -12.274 1.00 0.00 H new ATOM 561 N GLY A 121 -4.527 2.808 -14.478 1.00 0.00 N ATOM 562 CA GLY A 121 -3.676 3.952 -14.702 1.00 0.00 C ATOM 563 C GLY A 121 -2.215 3.619 -14.467 1.00 0.00 C ATOM 564 O GLY A 121 -1.863 2.552 -13.952 1.00 0.00 O ATOM 0 H GLY A 121 -4.030 1.917 -14.465 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.808 4.309 -15.723 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -3.975 4.764 -14.039 1.00 0.00 H new ATOM 568 N ARG A 122 -1.340 4.533 -14.882 1.00 0.00 N ATOM 569 CA ARG A 122 0.087 4.373 -14.694 1.00 0.00 C ATOM 570 C ARG A 122 0.398 4.609 -13.232 1.00 0.00 C ATOM 571 O ARG A 122 -0.039 5.605 -12.654 1.00 0.00 O ATOM 572 CB ARG A 122 0.880 5.360 -15.545 1.00 0.00 C ATOM 573 CG ARG A 122 1.109 4.822 -16.955 1.00 0.00 C ATOM 574 CD ARG A 122 0.494 5.673 -18.068 1.00 0.00 C ATOM 575 NE ARG A 122 -0.975 5.535 -18.118 1.00 0.00 N ATOM 576 CZ ARG A 122 -1.686 4.447 -18.445 1.00 0.00 C ATOM 577 NH1 ARG A 122 -1.080 3.375 -18.945 1.00 0.00 N ATOM 578 NH2 ARG A 122 -2.998 4.419 -18.242 1.00 0.00 N ATOM 0 H ARG A 122 -1.605 5.397 -15.354 1.00 0.00 H new ATOM 0 HA ARG A 122 0.373 3.367 -15.001 1.00 0.00 H new ATOM 0 HB2 ARG A 122 0.345 6.308 -15.598 1.00 0.00 H new ATOM 0 HB3 ARG A 122 1.840 5.562 -15.071 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.182 4.740 -17.129 1.00 0.00 H new ATOM 0 HG3 ARG A 122 0.698 3.814 -17.017 1.00 0.00 H new ATOM 0 HD2 ARG A 122 0.755 6.720 -17.911 1.00 0.00 H new ATOM 0 HD3 ARG A 122 0.919 5.378 -19.027 1.00 0.00 H new ATOM 0 HE ARG A 122 -1.513 6.367 -17.875 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.069 3.378 -19.081 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -1.626 2.550 -19.192 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -3.469 5.228 -17.836 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -3.535 3.589 -18.492 1.00 0.00 H new ATOM 592 N ILE A 123 1.148 3.685 -12.661 1.00 0.00 N ATOM 593 CA ILE A 123 1.567 3.730 -11.273 1.00 0.00 C ATOM 594 C ILE A 123 3.008 4.246 -11.277 1.00 0.00 C ATOM 595 O ILE A 123 3.731 4.090 -12.268 1.00 0.00 O ATOM 596 CB ILE A 123 1.427 2.321 -10.646 1.00 0.00 C ATOM 597 CG1 ILE A 123 0.017 1.701 -10.873 1.00 0.00 C ATOM 598 CG2 ILE A 123 1.698 2.381 -9.139 1.00 0.00 C ATOM 599 CD1 ILE A 123 -0.074 0.202 -10.562 1.00 0.00 C ATOM 0 H ILE A 123 1.490 2.864 -13.161 1.00 0.00 H new ATOM 0 HA ILE A 123 0.951 4.392 -10.665 1.00 0.00 H new ATOM 0 HB ILE A 123 2.161 1.687 -11.144 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.704 2.233 -10.253 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.275 1.863 -11.911 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.596 1.384 -8.711 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.709 2.749 -8.966 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.982 3.053 -8.667 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.090 -0.147 -10.747 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.620 -0.345 -11.201 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.183 0.031 -9.517 1.00 0.00 H new ATOM 611 N SER A 124 3.430 4.862 -10.177 1.00 0.00 N ATOM 612 CA SER A 124 4.772 5.379 -10.004 1.00 0.00 C ATOM 613 C SER A 124 5.376 4.570 -8.860 1.00 0.00 C ATOM 614 O SER A 124 6.290 3.765 -9.073 1.00 0.00 O ATOM 615 CB SER A 124 4.751 6.896 -9.770 1.00 0.00 C ATOM 616 OG SER A 124 6.035 7.450 -10.017 1.00 0.00 O ATOM 0 H SER A 124 2.830 5.016 -9.366 1.00 0.00 H new ATOM 0 HA SER A 124 5.391 5.264 -10.894 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.014 7.362 -10.425 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.447 7.109 -8.745 1.00 0.00 H new ATOM 0 HG SER A 124 6.008 8.418 -9.866 1.00 0.00 H new ATOM 622 N ASP A 125 4.916 4.838 -7.642 1.00 0.00 N ATOM 623 CA ASP A 125 5.339 4.188 -6.409 1.00 0.00 C ATOM 624 C ASP A 125 4.288 3.166 -5.992 1.00 0.00 C ATOM 625 O ASP A 125 3.099 3.429 -6.164 1.00 0.00 O ATOM 626 CB ASP A 125 5.578 5.253 -5.335 1.00 0.00 C ATOM 627 CG ASP A 125 6.297 4.682 -4.120 1.00 0.00 C ATOM 628 OD1 ASP A 125 7.327 3.992 -4.321 1.00 0.00 O ATOM 629 OD2 ASP A 125 5.864 4.974 -2.984 1.00 0.00 O ATOM 0 H ASP A 125 4.203 5.550 -7.482 1.00 0.00 H new ATOM 0 HA ASP A 125 6.277 3.652 -6.555 1.00 0.00 H new ATOM 0 HB2 ASP A 125 6.167 6.068 -5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.623 5.677 -5.026 1.00 0.00 H new ATOM 634 N ALA A 126 4.685 1.995 -5.500 1.00 0.00 N ATOM 635 CA ALA A 126 3.778 0.942 -5.050 1.00 0.00 C ATOM 636 C ALA A 126 4.586 -0.059 -4.234 1.00 0.00 C ATOM 637 O ALA A 126 5.709 -0.366 -4.636 1.00 0.00 O ATOM 638 CB ALA A 126 3.159 0.222 -6.255 1.00 0.00 C ATOM 0 H ALA A 126 5.669 1.746 -5.401 1.00 0.00 H new ATOM 0 HA ALA A 126 2.977 1.377 -4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 126 2.485 -0.560 -5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 126 2.601 0.938 -6.859 1.00 0.00 H new ATOM 0 HB3 ALA A 126 3.950 -0.224 -6.858 1.00 0.00 H new ATOM 644 N ARG A 127 4.075 -0.506 -3.083 1.00 0.00 N ATOM 645 CA ARG A 127 4.742 -1.505 -2.244 1.00 0.00 C ATOM 646 C ARG A 127 3.760 -2.118 -1.252 1.00 0.00 C ATOM 647 O ARG A 127 2.725 -1.514 -0.936 1.00 0.00 O ATOM 648 CB ARG A 127 5.989 -0.938 -1.533 1.00 0.00 C ATOM 649 CG ARG A 127 5.639 -0.187 -0.245 1.00 0.00 C ATOM 650 CD ARG A 127 6.812 0.486 0.447 1.00 0.00 C ATOM 651 NE ARG A 127 7.881 -0.446 0.851 1.00 0.00 N ATOM 652 CZ ARG A 127 8.735 -0.231 1.858 1.00 0.00 C ATOM 653 NH1 ARG A 127 8.711 0.924 2.522 1.00 0.00 N ATOM 654 NH2 ARG A 127 9.606 -1.162 2.208 1.00 0.00 N ATOM 0 H ARG A 127 3.184 -0.184 -2.706 1.00 0.00 H new ATOM 0 HA ARG A 127 5.098 -2.297 -2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.673 -1.754 -1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 127 6.515 -0.265 -2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.890 0.571 -0.476 1.00 0.00 H new ATOM 0 HG3 ARG A 127 5.179 -0.887 0.452 1.00 0.00 H new ATOM 0 HD2 ARG A 127 7.232 1.238 -0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 127 6.448 1.011 1.330 1.00 0.00 H new ATOM 0 HE ARG A 127 7.976 -1.315 0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 127 8.040 1.647 2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 127 9.363 1.085 3.289 1.00 0.00 H new ATOM 0 HH21 ARG A 127 9.630 -2.051 1.709 1.00 0.00 H new ATOM 0 HH22 ARG A 127 10.254 -0.991 2.977 1.00 0.00 H new ATOM 668 N VAL A 128 4.131 -3.261 -0.681 1.00 0.00 N ATOM 669 CA VAL A 128 3.357 -3.992 0.311 1.00 0.00 C ATOM 670 C VAL A 128 4.001 -3.702 1.668 1.00 0.00 C ATOM 671 O VAL A 128 5.207 -3.892 1.844 1.00 0.00 O ATOM 672 CB VAL A 128 3.379 -5.501 -0.025 1.00 0.00 C ATOM 673 CG1 VAL A 128 2.675 -6.357 1.035 1.00 0.00 C ATOM 674 CG2 VAL A 128 2.719 -5.802 -1.371 1.00 0.00 C ATOM 0 H VAL A 128 5.014 -3.719 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 128 2.311 -3.685 0.324 1.00 0.00 H new ATOM 0 HB VAL A 128 4.437 -5.759 -0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 128 2.722 -7.407 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.169 -6.224 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 128 1.632 -6.050 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.758 -6.874 -1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.679 -5.476 -1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.248 -5.271 -2.162 1.00 0.00 H new ATOM 684 N VAL A 129 3.238 -3.180 2.626 1.00 0.00 N ATOM 685 CA VAL A 129 3.742 -2.896 3.961 1.00 0.00 C ATOM 686 C VAL A 129 4.139 -4.241 4.577 1.00 0.00 C ATOM 687 O VAL A 129 3.441 -5.248 4.444 1.00 0.00 O ATOM 688 CB VAL A 129 2.680 -2.177 4.820 1.00 0.00 C ATOM 689 CG1 VAL A 129 3.257 -1.827 6.200 1.00 0.00 C ATOM 690 CG2 VAL A 129 2.214 -0.875 4.155 1.00 0.00 C ATOM 0 H VAL A 129 2.254 -2.943 2.495 1.00 0.00 H new ATOM 0 HA VAL A 129 4.599 -2.224 3.916 1.00 0.00 H new ATOM 0 HB VAL A 129 1.834 -2.857 4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.497 -1.320 6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.565 -2.741 6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 129 4.119 -1.171 6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.466 -0.392 4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.066 -0.207 4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.778 -1.099 3.181 1.00 0.00 H new ATOM 700 N LYS A 130 5.274 -4.270 5.263 1.00 0.00 N ATOM 701 CA LYS A 130 5.823 -5.438 5.931 1.00 0.00 C ATOM 702 C LYS A 130 6.223 -5.022 7.337 1.00 0.00 C ATOM 703 O LYS A 130 6.537 -3.856 7.591 1.00 0.00 O ATOM 704 CB LYS A 130 7.001 -5.992 5.122 1.00 0.00 C ATOM 705 CG LYS A 130 6.504 -6.774 3.887 1.00 0.00 C ATOM 706 CD LYS A 130 7.612 -6.968 2.863 1.00 0.00 C ATOM 707 CE LYS A 130 7.144 -7.453 1.480 1.00 0.00 C ATOM 708 NZ LYS A 130 6.686 -8.858 1.434 1.00 0.00 N ATOM 0 H LYS A 130 5.861 -3.443 5.373 1.00 0.00 H new ATOM 0 HA LYS A 130 5.089 -6.241 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 130 7.645 -5.173 4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 130 7.604 -6.645 5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.123 -7.746 4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.673 -6.239 3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 130 8.141 -6.023 2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 130 8.330 -7.686 3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.331 -6.810 1.142 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.963 -7.330 0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 6.391 -9.095 0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 7.463 -9.486 1.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 5.882 -8.982 2.081 1.00 0.00 H new ATOM 722 N ASP A 131 6.177 -5.989 8.241 1.00 0.00 N ATOM 723 CA ASP A 131 6.499 -5.839 9.649 1.00 0.00 C ATOM 724 C ASP A 131 7.939 -5.374 9.806 1.00 0.00 C ATOM 725 O ASP A 131 8.852 -6.057 9.336 1.00 0.00 O ATOM 726 CB ASP A 131 6.335 -7.195 10.334 1.00 0.00 C ATOM 727 CG ASP A 131 6.813 -7.186 11.785 1.00 0.00 C ATOM 728 OD1 ASP A 131 6.940 -6.089 12.377 1.00 0.00 O ATOM 729 OD2 ASP A 131 7.090 -8.281 12.312 1.00 0.00 O ATOM 0 H ASP A 131 5.902 -6.941 8.001 1.00 0.00 H new ATOM 0 HA ASP A 131 5.834 -5.102 10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.286 -7.488 10.304 1.00 0.00 H new ATOM 0 HB3 ASP A 131 6.892 -7.948 9.777 1.00 0.00 H new ATOM 734 N MET A 132 8.164 -4.248 10.479 1.00 0.00 N ATOM 735 CA MET A 132 9.492 -3.695 10.715 1.00 0.00 C ATOM 736 C MET A 132 10.393 -4.619 11.564 1.00 0.00 C ATOM 737 O MET A 132 11.600 -4.387 11.635 1.00 0.00 O ATOM 738 CB MET A 132 9.316 -2.303 11.352 1.00 0.00 C ATOM 739 CG MET A 132 10.613 -1.494 11.445 1.00 0.00 C ATOM 740 SD MET A 132 11.465 -1.238 9.862 1.00 0.00 S ATOM 741 CE MET A 132 13.123 -0.887 10.500 1.00 0.00 C ATOM 0 H MET A 132 7.414 -3.686 10.882 1.00 0.00 H new ATOM 0 HA MET A 132 10.017 -3.607 9.764 1.00 0.00 H new ATOM 0 HB2 MET A 132 8.588 -1.738 10.770 1.00 0.00 H new ATOM 0 HB3 MET A 132 8.901 -2.422 12.353 1.00 0.00 H new ATOM 0 HG2 MET A 132 10.387 -0.521 11.882 1.00 0.00 H new ATOM 0 HG3 MET A 132 11.293 -2.001 12.130 1.00 0.00 H new ATOM 0 HE1 MET A 132 13.801 -0.700 9.667 1.00 0.00 H new ATOM 0 HE2 MET A 132 13.087 -0.008 11.143 1.00 0.00 H new ATOM 0 HE3 MET A 132 13.480 -1.742 11.074 1.00 0.00 H new ATOM 751 N ALA A 133 9.852 -5.658 12.211 1.00 0.00 N ATOM 752 CA ALA A 133 10.614 -6.588 13.042 1.00 0.00 C ATOM 753 C ALA A 133 10.900 -7.932 12.375 1.00 0.00 C ATOM 754 O ALA A 133 11.698 -8.694 12.917 1.00 0.00 O ATOM 755 CB ALA A 133 9.838 -6.847 14.336 1.00 0.00 C ATOM 0 H ALA A 133 8.857 -5.877 12.169 1.00 0.00 H new ATOM 0 HA ALA A 133 11.579 -6.115 13.226 1.00 0.00 H new ATOM 0 HB1 ALA A 133 10.398 -7.540 14.964 1.00 0.00 H new ATOM 0 HB2 ALA A 133 9.697 -5.907 14.870 1.00 0.00 H new ATOM 0 HB3 ALA A 133 8.866 -7.278 14.097 1.00 0.00 H new ATOM 761 N THR A 134 10.284 -8.250 11.233 1.00 0.00 N ATOM 762 CA THR A 134 10.510 -9.546 10.585 1.00 0.00 C ATOM 763 C THR A 134 10.570 -9.508 9.064 1.00 0.00 C ATOM 764 O THR A 134 11.182 -10.381 8.445 1.00 0.00 O ATOM 765 CB THR A 134 9.373 -10.496 10.993 1.00 0.00 C ATOM 766 OG1 THR A 134 8.125 -9.984 10.577 1.00 0.00 O ATOM 767 CG2 THR A 134 9.290 -10.726 12.496 1.00 0.00 C ATOM 0 H THR A 134 9.633 -7.637 10.743 1.00 0.00 H new ATOM 0 HA THR A 134 11.492 -9.880 10.920 1.00 0.00 H new ATOM 0 HB THR A 134 9.600 -11.444 10.505 1.00 0.00 H new ATOM 0 HG1 THR A 134 7.655 -9.601 11.347 1.00 0.00 H new ATOM 0 HG21 THR A 134 8.467 -11.406 12.715 1.00 0.00 H new ATOM 0 HG22 THR A 134 10.224 -11.162 12.849 1.00 0.00 H new ATOM 0 HG23 THR A 134 9.120 -9.775 13.001 1.00 0.00 H new ATOM 775 N GLY A 135 9.933 -8.509 8.462 1.00 0.00 N ATOM 776 CA GLY A 135 9.857 -8.339 7.015 1.00 0.00 C ATOM 777 C GLY A 135 8.701 -9.160 6.427 1.00 0.00 C ATOM 778 O GLY A 135 8.629 -9.352 5.213 1.00 0.00 O ATOM 0 H GLY A 135 9.444 -7.778 8.979 1.00 0.00 H new ATOM 0 HA2 GLY A 135 9.718 -7.285 6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 135 10.797 -8.649 6.559 1.00 0.00 H new ATOM 782 N LYS A 136 7.804 -9.690 7.267 1.00 0.00 N ATOM 783 CA LYS A 136 6.656 -10.495 6.850 1.00 0.00 C ATOM 784 C LYS A 136 5.552 -9.534 6.433 1.00 0.00 C ATOM 785 O LYS A 136 5.418 -8.471 7.051 1.00 0.00 O ATOM 786 CB LYS A 136 6.218 -11.396 8.013 1.00 0.00 C ATOM 787 CG LYS A 136 7.344 -12.354 8.429 1.00 0.00 C ATOM 788 CD LYS A 136 7.008 -13.173 9.683 1.00 0.00 C ATOM 789 CE LYS A 136 6.337 -14.515 9.380 1.00 0.00 C ATOM 790 NZ LYS A 136 7.223 -15.420 8.619 1.00 0.00 N ATOM 0 H LYS A 136 7.860 -9.567 8.278 1.00 0.00 H new ATOM 0 HA LYS A 136 6.903 -11.145 6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 136 5.928 -10.780 8.864 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.339 -11.970 7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 136 7.556 -13.035 7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.252 -11.780 8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 136 7.925 -13.354 10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 136 6.352 -12.585 10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 136 6.047 -14.994 10.315 1.00 0.00 H new ATOM 0 HE3 LYS A 136 5.422 -14.343 8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 6.901 -16.402 8.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 7.196 -15.166 7.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 8.197 -15.331 8.973 1.00 0.00 H new ATOM 804 N SER A 137 4.765 -9.869 5.411 1.00 0.00 N ATOM 805 CA SER A 137 3.702 -8.998 4.930 1.00 0.00 C ATOM 806 C SER A 137 2.716 -8.601 6.013 1.00 0.00 C ATOM 807 O SER A 137 2.164 -9.466 6.701 1.00 0.00 O ATOM 808 CB SER A 137 2.935 -9.649 3.786 1.00 0.00 C ATOM 809 OG SER A 137 2.060 -8.676 3.261 1.00 0.00 O ATOM 0 H SER A 137 4.848 -10.747 4.898 1.00 0.00 H new ATOM 0 HA SER A 137 4.203 -8.094 4.583 1.00 0.00 H new ATOM 0 HB2 SER A 137 3.621 -10.004 3.017 1.00 0.00 H new ATOM 0 HB3 SER A 137 2.377 -10.516 4.141 1.00 0.00 H new ATOM 0 HG SER A 137 1.550 -9.062 2.519 1.00 0.00 H new ATOM 815 N LYS A 138 2.518 -7.288 6.172 1.00 0.00 N ATOM 816 CA LYS A 138 1.540 -6.804 7.144 1.00 0.00 C ATOM 817 C LYS A 138 0.132 -7.071 6.598 1.00 0.00 C ATOM 818 O LYS A 138 -0.805 -7.138 7.392 1.00 0.00 O ATOM 819 CB LYS A 138 1.682 -5.310 7.472 1.00 0.00 C ATOM 820 CG LYS A 138 2.605 -5.045 8.673 1.00 0.00 C ATOM 821 CD LYS A 138 2.233 -3.711 9.330 1.00 0.00 C ATOM 822 CE LYS A 138 3.058 -3.404 10.575 1.00 0.00 C ATOM 823 NZ LYS A 138 2.761 -2.051 11.085 1.00 0.00 N ATOM 0 H LYS A 138 3.009 -6.560 5.653 1.00 0.00 H new ATOM 0 HA LYS A 138 1.720 -7.342 8.074 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.072 -4.787 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 138 0.696 -4.894 7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 138 2.516 -5.855 9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.645 -5.022 8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.367 -2.907 8.606 1.00 0.00 H new ATOM 0 HD3 LYS A 138 1.176 -3.727 9.597 1.00 0.00 H new ATOM 0 HE2 LYS A 138 2.846 -4.143 11.348 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.120 -3.484 10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 3.623 -1.470 11.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 2.023 -1.613 10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 2.428 -2.116 12.068 1.00 0.00 H new ATOM 837 N GLY A 139 -0.037 -7.216 5.281 1.00 0.00 N ATOM 838 CA GLY A 139 -1.315 -7.475 4.626 1.00 0.00 C ATOM 839 C GLY A 139 -1.860 -6.237 3.919 1.00 0.00 C ATOM 840 O GLY A 139 -2.829 -6.355 3.179 1.00 0.00 O ATOM 0 H GLY A 139 0.740 -7.154 4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -1.194 -8.281 3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -2.038 -7.817 5.366 1.00 0.00 H new ATOM 844 N TYR A 140 -1.384 -5.031 4.249 1.00 0.00 N ATOM 845 CA TYR A 140 -1.801 -3.806 3.574 1.00 0.00 C ATOM 846 C TYR A 140 -0.706 -3.358 2.601 1.00 0.00 C ATOM 847 O TYR A 140 0.450 -3.769 2.723 1.00 0.00 O ATOM 848 CB TYR A 140 -2.375 -2.753 4.528 1.00 0.00 C ATOM 849 CG TYR A 140 -1.553 -2.319 5.723 1.00 0.00 C ATOM 850 CD1 TYR A 140 -1.562 -3.082 6.907 1.00 0.00 C ATOM 851 CD2 TYR A 140 -0.905 -1.071 5.700 1.00 0.00 C ATOM 852 CE1 TYR A 140 -0.907 -2.608 8.058 1.00 0.00 C ATOM 853 CE2 TYR A 140 -0.250 -0.591 6.846 1.00 0.00 C ATOM 854 CZ TYR A 140 -0.240 -1.362 8.028 1.00 0.00 C ATOM 855 OH TYR A 140 0.415 -0.908 9.130 1.00 0.00 O ATOM 0 H TYR A 140 -0.700 -4.881 4.991 1.00 0.00 H new ATOM 0 HA TYR A 140 -2.672 -4.001 2.948 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.596 -1.862 3.940 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.326 -3.132 4.903 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -2.073 -4.033 6.931 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -0.911 -0.479 4.797 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -0.914 -3.196 8.964 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.246 0.368 6.823 1.00 0.00 H new ATOM 0 HH TYR A 140 0.818 -0.036 8.935 1.00 0.00 H new ATOM 865 N GLY A 141 -1.038 -2.498 1.643 1.00 0.00 N ATOM 866 CA GLY A 141 -0.125 -1.977 0.639 1.00 0.00 C ATOM 867 C GLY A 141 -0.530 -0.571 0.219 1.00 0.00 C ATOM 868 O GLY A 141 -1.544 -0.043 0.682 1.00 0.00 O ATOM 0 H GLY A 141 -1.985 -2.133 1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 141 0.890 -1.965 1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -0.120 -2.634 -0.231 1.00 0.00 H new ATOM 872 N PHE A 142 0.294 0.051 -0.624 1.00 0.00 N ATOM 873 CA PHE A 142 0.095 1.394 -1.152 1.00 0.00 C ATOM 874 C PHE A 142 0.354 1.379 -2.655 1.00 0.00 C ATOM 875 O PHE A 142 1.151 0.566 -3.131 1.00 0.00 O ATOM 876 CB PHE A 142 1.068 2.401 -0.503 1.00 0.00 C ATOM 877 CG PHE A 142 0.951 2.680 0.991 1.00 0.00 C ATOM 878 CD1 PHE A 142 -0.286 2.626 1.664 1.00 0.00 C ATOM 879 CD2 PHE A 142 2.100 3.075 1.706 1.00 0.00 C ATOM 880 CE1 PHE A 142 -0.366 2.909 3.039 1.00 0.00 C ATOM 881 CE2 PHE A 142 2.023 3.359 3.082 1.00 0.00 C ATOM 882 CZ PHE A 142 0.791 3.266 3.752 1.00 0.00 C ATOM 0 H PHE A 142 1.149 -0.386 -0.969 1.00 0.00 H new ATOM 0 HA PHE A 142 -0.928 1.699 -0.931 1.00 0.00 H new ATOM 0 HB2 PHE A 142 2.082 2.050 -0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 142 0.956 3.351 -1.025 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.181 2.365 1.119 1.00 0.00 H new ATOM 0 HD2 PHE A 142 3.047 3.160 1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -1.317 2.852 3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 142 2.911 3.649 3.624 1.00 0.00 H new ATOM 0 HZ PHE A 142 0.734 3.468 4.811 1.00 0.00 H new ATOM 892 N VAL A 143 -0.282 2.310 -3.369 1.00 0.00 N ATOM 893 CA VAL A 143 -0.185 2.507 -4.813 1.00 0.00 C ATOM 894 C VAL A 143 -0.297 4.014 -5.055 1.00 0.00 C ATOM 895 O VAL A 143 -1.224 4.636 -4.535 1.00 0.00 O ATOM 896 CB VAL A 143 -1.331 1.754 -5.536 1.00 0.00 C ATOM 897 CG1 VAL A 143 -1.248 1.910 -7.057 1.00 0.00 C ATOM 898 CG2 VAL A 143 -1.309 0.249 -5.258 1.00 0.00 C ATOM 0 H VAL A 143 -0.912 2.982 -2.930 1.00 0.00 H new ATOM 0 HA VAL A 143 0.755 2.117 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 143 -2.245 2.202 -5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -2.070 1.367 -7.524 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -1.316 2.966 -7.319 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -0.299 1.508 -7.413 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -2.132 -0.231 -5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -0.363 -0.171 -5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -1.416 0.075 -4.187 1.00 0.00 H new ATOM 908 N SER A 144 0.594 4.611 -5.843 1.00 0.00 N ATOM 909 CA SER A 144 0.582 6.030 -6.157 1.00 0.00 C ATOM 910 C SER A 144 0.493 6.213 -7.670 1.00 0.00 C ATOM 911 O SER A 144 1.222 5.553 -8.417 1.00 0.00 O ATOM 912 CB SER A 144 1.813 6.715 -5.577 1.00 0.00 C ATOM 913 OG SER A 144 1.873 6.603 -4.167 1.00 0.00 O ATOM 0 H SER A 144 1.360 4.107 -6.289 1.00 0.00 H new ATOM 0 HA SER A 144 -0.291 6.499 -5.703 1.00 0.00 H new ATOM 0 HB2 SER A 144 2.710 6.276 -6.013 1.00 0.00 H new ATOM 0 HB3 SER A 144 1.806 7.769 -5.856 1.00 0.00 H new ATOM 0 HG SER A 144 2.072 7.480 -3.777 1.00 0.00 H new ATOM 919 N PHE A 145 -0.419 7.083 -8.109 1.00 0.00 N ATOM 920 CA PHE A 145 -0.683 7.387 -9.507 1.00 0.00 C ATOM 921 C PHE A 145 -0.349 8.842 -9.819 1.00 0.00 C ATOM 922 O PHE A 145 -0.365 9.711 -8.942 1.00 0.00 O ATOM 923 CB PHE A 145 -2.169 7.149 -9.811 1.00 0.00 C ATOM 924 CG PHE A 145 -2.665 5.723 -9.662 1.00 0.00 C ATOM 925 CD1 PHE A 145 -3.067 5.245 -8.402 1.00 0.00 C ATOM 926 CD2 PHE A 145 -2.782 4.891 -10.791 1.00 0.00 C ATOM 927 CE1 PHE A 145 -3.624 3.964 -8.274 1.00 0.00 C ATOM 928 CE2 PHE A 145 -3.351 3.612 -10.668 1.00 0.00 C ATOM 929 CZ PHE A 145 -3.788 3.160 -9.413 1.00 0.00 C ATOM 0 H PHE A 145 -1.014 7.613 -7.472 1.00 0.00 H new ATOM 0 HA PHE A 145 -0.059 6.738 -10.121 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -2.759 7.787 -9.153 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -2.366 7.475 -10.832 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -2.946 5.868 -7.528 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -2.434 5.236 -11.753 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -3.925 3.598 -7.304 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -3.452 2.978 -11.537 1.00 0.00 H new ATOM 0 HZ PHE A 145 -4.253 2.189 -9.323 1.00 0.00 H new ATOM 939 N PHE A 146 -0.079 9.096 -11.096 1.00 0.00 N ATOM 940 CA PHE A 146 0.250 10.412 -11.629 1.00 0.00 C ATOM 941 C PHE A 146 -0.959 11.351 -11.691 1.00 0.00 C ATOM 942 O PHE A 146 -0.762 12.569 -11.728 1.00 0.00 O ATOM 943 CB PHE A 146 0.784 10.289 -13.066 1.00 0.00 C ATOM 944 CG PHE A 146 1.945 9.345 -13.305 1.00 0.00 C ATOM 945 CD1 PHE A 146 3.065 9.364 -12.455 1.00 0.00 C ATOM 946 CD2 PHE A 146 1.957 8.519 -14.447 1.00 0.00 C ATOM 947 CE1 PHE A 146 4.194 8.585 -12.758 1.00 0.00 C ATOM 948 CE2 PHE A 146 3.094 7.759 -14.758 1.00 0.00 C ATOM 949 CZ PHE A 146 4.202 7.772 -13.900 1.00 0.00 C ATOM 0 H PHE A 146 -0.084 8.368 -11.810 1.00 0.00 H new ATOM 0 HA PHE A 146 0.995 10.825 -10.949 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -0.041 9.975 -13.705 1.00 0.00 H new ATOM 0 HB3 PHE A 146 1.085 11.282 -13.399 1.00 0.00 H new ATOM 0 HD1 PHE A 146 3.057 9.979 -11.567 1.00 0.00 H new ATOM 0 HD2 PHE A 146 1.087 8.471 -15.085 1.00 0.00 H new ATOM 0 HE1 PHE A 146 5.057 8.612 -12.110 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.116 7.164 -15.659 1.00 0.00 H new ATOM 0 HZ PHE A 146 5.062 7.156 -14.119 1.00 0.00 H new ATOM 959 N ASN A 147 -2.189 10.829 -11.752 1.00 0.00 N ATOM 960 CA ASN A 147 -3.408 11.631 -11.830 1.00 0.00 C ATOM 961 C ASN A 147 -4.418 11.149 -10.806 1.00 0.00 C ATOM 962 O ASN A 147 -4.425 9.974 -10.444 1.00 0.00 O ATOM 963 CB ASN A 147 -4.105 11.514 -13.195 1.00 0.00 C ATOM 964 CG ASN A 147 -3.204 11.648 -14.407 1.00 0.00 C ATOM 965 OD1 ASN A 147 -2.572 12.686 -14.610 1.00 0.00 O ATOM 966 ND2 ASN A 147 -3.172 10.630 -15.244 1.00 0.00 N ATOM 0 H ASN A 147 -2.365 9.824 -11.748 1.00 0.00 H new ATOM 0 HA ASN A 147 -3.097 12.661 -11.656 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -4.608 10.548 -13.244 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -4.879 12.279 -13.254 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -2.610 10.686 -16.094 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -3.709 9.787 -15.042 1.00 0.00 H new ATOM 973 N LYS A 148 -5.334 12.038 -10.419 1.00 0.00 N ATOM 974 CA LYS A 148 -6.376 11.714 -9.459 1.00 0.00 C ATOM 975 C LYS A 148 -7.337 10.697 -10.062 1.00 0.00 C ATOM 976 O LYS A 148 -7.607 9.674 -9.451 1.00 0.00 O ATOM 977 CB LYS A 148 -7.098 12.998 -9.032 1.00 0.00 C ATOM 978 CG LYS A 148 -8.074 12.669 -7.902 1.00 0.00 C ATOM 979 CD LYS A 148 -8.481 13.905 -7.110 1.00 0.00 C ATOM 980 CE LYS A 148 -9.262 13.422 -5.881 1.00 0.00 C ATOM 981 NZ LYS A 148 -9.241 14.402 -4.781 1.00 0.00 N ATOM 0 H LYS A 148 -5.370 12.997 -10.764 1.00 0.00 H new ATOM 0 HA LYS A 148 -5.936 11.265 -8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -6.375 13.743 -8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -7.633 13.428 -9.878 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -8.964 12.199 -8.320 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -7.616 11.944 -7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -7.602 14.474 -6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -9.095 14.567 -7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -10.295 13.222 -6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -8.839 12.480 -5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -9.782 14.030 -3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -8.258 14.575 -4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -9.669 15.294 -5.102 1.00 0.00 H new ATOM 995 N TRP A 149 -7.795 10.952 -11.285 1.00 0.00 N ATOM 996 CA TRP A 149 -8.731 10.114 -12.040 1.00 0.00 C ATOM 997 C TRP A 149 -8.343 8.636 -12.034 1.00 0.00 C ATOM 998 O TRP A 149 -9.176 7.783 -11.745 1.00 0.00 O ATOM 999 CB TRP A 149 -8.845 10.611 -13.490 1.00 0.00 C ATOM 1000 CG TRP A 149 -8.385 12.007 -13.755 1.00 0.00 C ATOM 1001 CD1 TRP A 149 -7.372 12.358 -14.580 1.00 0.00 C ATOM 1002 CD2 TRP A 149 -8.931 13.250 -13.235 1.00 0.00 C ATOM 1003 NE1 TRP A 149 -7.221 13.729 -14.574 1.00 0.00 N ATOM 1004 CE2 TRP A 149 -8.188 14.332 -13.795 1.00 0.00 C ATOM 1005 CE3 TRP A 149 -9.991 13.570 -12.360 1.00 0.00 C ATOM 1006 CZ2 TRP A 149 -8.498 15.670 -13.515 1.00 0.00 C ATOM 1007 CZ3 TRP A 149 -10.327 14.912 -12.094 1.00 0.00 C ATOM 1008 CH2 TRP A 149 -9.584 15.961 -12.672 1.00 0.00 C ATOM 0 H TRP A 149 -7.513 11.785 -11.802 1.00 0.00 H new ATOM 0 HA TRP A 149 -9.696 10.199 -11.540 1.00 0.00 H new ATOM 0 HB2 TRP A 149 -8.273 9.937 -14.128 1.00 0.00 H new ATOM 0 HB3 TRP A 149 -9.888 10.532 -13.797 1.00 0.00 H new ATOM 0 HD1 TRP A 149 -6.772 11.669 -15.156 1.00 0.00 H new ATOM 0 HE1 TRP A 149 -6.491 14.231 -15.079 1.00 0.00 H new ATOM 0 HE3 TRP A 149 -10.551 12.776 -11.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 -7.909 16.468 -13.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 -11.159 15.138 -11.443 1.00 0.00 H new ATOM 0 HH2 TRP A 149 -9.849 16.988 -12.467 1.00 0.00 H new ATOM 1019 N ASP A 150 -7.076 8.360 -12.345 1.00 0.00 N ATOM 1020 CA ASP A 150 -6.486 7.025 -12.406 1.00 0.00 C ATOM 1021 C ASP A 150 -6.733 6.285 -11.084 1.00 0.00 C ATOM 1022 O ASP A 150 -7.196 5.142 -11.052 1.00 0.00 O ATOM 1023 CB ASP A 150 -4.968 7.131 -12.665 1.00 0.00 C ATOM 1024 CG ASP A 150 -4.544 7.593 -14.067 1.00 0.00 C ATOM 1025 OD1 ASP A 150 -5.114 8.563 -14.619 1.00 0.00 O ATOM 1026 OD2 ASP A 150 -3.536 7.066 -14.595 1.00 0.00 O ATOM 0 H ASP A 150 -6.405 9.094 -12.571 1.00 0.00 H new ATOM 0 HA ASP A 150 -6.950 6.470 -13.221 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -4.545 7.821 -11.935 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -4.521 6.155 -12.477 1.00 0.00 H new ATOM 1031 N ALA A 151 -6.415 6.963 -9.979 1.00 0.00 N ATOM 1032 CA ALA A 151 -6.565 6.458 -8.629 1.00 0.00 C ATOM 1033 C ALA A 151 -8.036 6.274 -8.245 1.00 0.00 C ATOM 1034 O ALA A 151 -8.391 5.201 -7.756 1.00 0.00 O ATOM 1035 CB ALA A 151 -5.877 7.426 -7.672 1.00 0.00 C ATOM 0 H ALA A 151 -6.034 7.909 -10.010 1.00 0.00 H new ATOM 0 HA ALA A 151 -6.102 5.473 -8.568 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -5.980 7.062 -6.650 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.820 7.499 -7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -6.339 8.410 -7.755 1.00 0.00 H new ATOM 1041 N GLU A 152 -8.864 7.298 -8.466 1.00 0.00 N ATOM 1042 CA GLU A 152 -10.298 7.336 -8.171 1.00 0.00 C ATOM 1043 C GLU A 152 -10.985 6.111 -8.774 1.00 0.00 C ATOM 1044 O GLU A 152 -11.748 5.409 -8.112 1.00 0.00 O ATOM 1045 CB GLU A 152 -10.914 8.604 -8.796 1.00 0.00 C ATOM 1046 CG GLU A 152 -10.579 9.934 -8.126 1.00 0.00 C ATOM 1047 CD GLU A 152 -11.486 10.285 -6.938 1.00 0.00 C ATOM 1048 OE1 GLU A 152 -11.861 9.397 -6.143 1.00 0.00 O ATOM 1049 OE2 GLU A 152 -11.736 11.496 -6.740 1.00 0.00 O ATOM 0 H GLU A 152 -8.533 8.171 -8.878 1.00 0.00 H new ATOM 0 HA GLU A 152 -10.439 7.342 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -10.596 8.658 -9.837 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -11.998 8.489 -8.799 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -9.545 9.905 -7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -10.647 10.729 -8.868 1.00 0.00 H new ATOM 1056 N ASN A 153 -10.707 5.845 -10.052 1.00 0.00 N ATOM 1057 CA ASN A 153 -11.272 4.729 -10.793 1.00 0.00 C ATOM 1058 C ASN A 153 -11.023 3.416 -10.056 1.00 0.00 C ATOM 1059 O ASN A 153 -11.959 2.665 -9.792 1.00 0.00 O ATOM 1060 CB ASN A 153 -10.658 4.725 -12.202 1.00 0.00 C ATOM 1061 CG ASN A 153 -11.375 3.802 -13.173 1.00 0.00 C ATOM 1062 OD1 ASN A 153 -12.553 3.506 -13.009 1.00 0.00 O ATOM 1063 ND2 ASN A 153 -10.729 3.437 -14.265 1.00 0.00 N ATOM 0 H ASN A 153 -10.069 6.415 -10.607 1.00 0.00 H new ATOM 0 HA ASN A 153 -12.353 4.837 -10.879 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -10.673 5.740 -12.599 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -9.612 4.425 -12.133 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -11.210 2.901 -14.987 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -9.749 3.691 -14.387 1.00 0.00 H new ATOM 1070 N ALA A 154 -9.765 3.157 -9.698 1.00 0.00 N ATOM 1071 CA ALA A 154 -9.361 1.963 -8.987 1.00 0.00 C ATOM 1072 C ALA A 154 -9.989 1.894 -7.588 1.00 0.00 C ATOM 1073 O ALA A 154 -10.472 0.826 -7.241 1.00 0.00 O ATOM 1074 CB ALA A 154 -7.837 1.884 -8.944 1.00 0.00 C ATOM 0 H ALA A 154 -8.990 3.789 -9.902 1.00 0.00 H new ATOM 0 HA ALA A 154 -9.732 1.090 -9.524 1.00 0.00 H new ATOM 0 HB1 ALA A 154 -7.534 0.984 -8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 154 -7.446 1.850 -9.961 1.00 0.00 H new ATOM 0 HB3 ALA A 154 -7.441 2.761 -8.432 1.00 0.00 H new ATOM 1080 N ILE A 155 -10.014 2.958 -6.773 1.00 0.00 N ATOM 1081 CA ILE A 155 -10.622 2.923 -5.438 1.00 0.00 C ATOM 1082 C ILE A 155 -12.046 2.361 -5.540 1.00 0.00 C ATOM 1083 O ILE A 155 -12.403 1.461 -4.780 1.00 0.00 O ATOM 1084 CB ILE A 155 -10.590 4.325 -4.778 1.00 0.00 C ATOM 1085 CG1 ILE A 155 -9.131 4.713 -4.456 1.00 0.00 C ATOM 1086 CG2 ILE A 155 -11.425 4.346 -3.482 1.00 0.00 C ATOM 1087 CD1 ILE A 155 -8.958 6.171 -4.015 1.00 0.00 C ATOM 0 H ILE A 155 -9.615 3.863 -7.021 1.00 0.00 H new ATOM 0 HA ILE A 155 -10.043 2.263 -4.792 1.00 0.00 H new ATOM 0 HB ILE A 155 -11.020 5.042 -5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -8.757 4.059 -3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -8.515 4.535 -5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -11.385 5.341 -3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -12.460 4.092 -3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -11.021 3.619 -2.777 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -7.906 6.366 -3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -9.300 6.834 -4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -9.545 6.351 -3.114 1.00 0.00 H new ATOM 1099 N GLN A 156 -12.836 2.869 -6.483 1.00 0.00 N ATOM 1100 CA GLN A 156 -14.212 2.453 -6.694 1.00 0.00 C ATOM 1101 C GLN A 156 -14.340 1.001 -7.183 1.00 0.00 C ATOM 1102 O GLN A 156 -14.964 0.156 -6.536 1.00 0.00 O ATOM 1103 CB GLN A 156 -14.841 3.387 -7.743 1.00 0.00 C ATOM 1104 CG GLN A 156 -14.893 4.868 -7.342 1.00 0.00 C ATOM 1105 CD GLN A 156 -15.353 5.734 -8.508 1.00 0.00 C ATOM 1106 OE1 GLN A 156 -14.607 5.744 -9.603 1.00 0.00 O flip ATOM 1107 NE2 GLN A 156 -16.405 6.357 -8.455 1.00 0.00 N flip ATOM 0 H GLN A 156 -12.528 3.594 -7.131 1.00 0.00 H new ATOM 0 HA GLN A 156 -14.724 2.511 -5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -14.278 3.297 -8.672 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -15.855 3.046 -7.950 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -15.572 4.996 -6.499 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -13.907 5.193 -7.010 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -16.967 6.338 -7.604 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -16.720 6.895 -9.262 1.00 0.00 H new ATOM 1116 N GLN A 157 -13.741 0.729 -8.341 1.00 0.00 N ATOM 1117 CA GLN A 157 -13.756 -0.532 -9.068 1.00 0.00 C ATOM 1118 C GLN A 157 -12.999 -1.685 -8.404 1.00 0.00 C ATOM 1119 O GLN A 157 -13.539 -2.793 -8.341 1.00 0.00 O ATOM 1120 CB GLN A 157 -13.239 -0.240 -10.484 1.00 0.00 C ATOM 1121 CG GLN A 157 -14.072 0.830 -11.233 1.00 0.00 C ATOM 1122 CD GLN A 157 -15.303 0.270 -11.943 1.00 0.00 C ATOM 1123 OE1 GLN A 157 -15.238 -0.754 -12.624 1.00 0.00 O ATOM 1124 NE2 GLN A 157 -16.429 0.955 -11.872 1.00 0.00 N ATOM 0 H GLN A 157 -13.193 1.438 -8.828 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.781 -0.902 -9.081 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -12.203 0.093 -10.423 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.243 -1.164 -11.062 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -14.390 1.592 -10.522 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -13.435 1.324 -11.966 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -16.476 1.802 -11.306 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -17.252 0.637 -12.383 1.00 0.00 H new ATOM 1133 N MET A 158 -11.756 -1.476 -7.954 1.00 0.00 N ATOM 1134 CA MET A 158 -10.959 -2.519 -7.297 1.00 0.00 C ATOM 1135 C MET A 158 -11.441 -2.789 -5.874 1.00 0.00 C ATOM 1136 O MET A 158 -11.206 -3.875 -5.347 1.00 0.00 O ATOM 1137 CB MET A 158 -9.460 -2.174 -7.260 1.00 0.00 C ATOM 1138 CG MET A 158 -8.803 -2.213 -8.641 1.00 0.00 C ATOM 1139 SD MET A 158 -8.924 -3.810 -9.501 1.00 0.00 S ATOM 1140 CE MET A 158 -8.247 -4.947 -8.271 1.00 0.00 C ATOM 0 H MET A 158 -11.275 -0.580 -8.035 1.00 0.00 H new ATOM 0 HA MET A 158 -11.096 -3.417 -7.900 1.00 0.00 H new ATOM 0 HB2 MET A 158 -9.332 -1.180 -6.831 1.00 0.00 H new ATOM 0 HB3 MET A 158 -8.948 -2.874 -6.600 1.00 0.00 H new ATOM 0 HG2 MET A 158 -9.259 -1.445 -9.266 1.00 0.00 H new ATOM 0 HG3 MET A 158 -7.750 -1.953 -8.534 1.00 0.00 H new ATOM 0 HE1 MET A 158 -7.914 -5.860 -8.764 1.00 0.00 H new ATOM 0 HE2 MET A 158 -7.402 -4.478 -7.768 1.00 0.00 H new ATOM 0 HE3 MET A 158 -9.016 -5.190 -7.538 1.00 0.00 H new ATOM 1150 N GLY A 159 -12.123 -1.829 -5.250 1.00 0.00 N ATOM 1151 CA GLY A 159 -12.649 -1.938 -3.902 1.00 0.00 C ATOM 1152 C GLY A 159 -13.664 -3.057 -3.799 1.00 0.00 C ATOM 1153 O GLY A 159 -14.832 -2.842 -4.127 1.00 0.00 O ATOM 0 H GLY A 159 -12.327 -0.930 -5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.832 -2.119 -3.204 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.113 -0.995 -3.612 1.00 0.00 H new ATOM 1157 N GLY A 160 -13.232 -4.227 -3.326 1.00 0.00 N ATOM 1158 CA GLY A 160 -14.075 -5.397 -3.162 1.00 0.00 C ATOM 1159 C GLY A 160 -13.701 -6.558 -4.073 1.00 0.00 C ATOM 1160 O GLY A 160 -14.287 -7.632 -3.920 1.00 0.00 O ATOM 0 H GLY A 160 -12.265 -4.384 -3.042 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -14.021 -5.729 -2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -15.111 -5.116 -3.353 1.00 0.00 H new ATOM 1164 N GLN A 161 -12.780 -6.362 -5.016 1.00 0.00 N ATOM 1165 CA GLN A 161 -12.329 -7.401 -5.933 1.00 0.00 C ATOM 1166 C GLN A 161 -11.400 -8.370 -5.206 1.00 0.00 C ATOM 1167 O GLN A 161 -11.044 -8.154 -4.045 1.00 0.00 O ATOM 1168 CB GLN A 161 -11.557 -6.752 -7.095 1.00 0.00 C ATOM 1169 CG GLN A 161 -12.419 -5.861 -7.990 1.00 0.00 C ATOM 1170 CD GLN A 161 -13.452 -6.670 -8.763 1.00 0.00 C ATOM 1171 OE1 GLN A 161 -14.589 -6.815 -8.324 1.00 0.00 O ATOM 1172 NE2 GLN A 161 -13.080 -7.215 -9.909 1.00 0.00 N ATOM 0 H GLN A 161 -12.321 -5.463 -5.164 1.00 0.00 H new ATOM 0 HA GLN A 161 -13.196 -7.942 -6.312 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -10.739 -6.158 -6.688 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.109 -7.537 -7.704 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -12.925 -5.113 -7.380 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -11.781 -5.322 -8.690 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -12.129 -7.080 -10.253 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -13.744 -7.770 -10.449 1.00 0.00 H new ATOM 1181 N TRP A 162 -10.998 -9.438 -5.892 1.00 0.00 N ATOM 1182 CA TRP A 162 -10.078 -10.439 -5.385 1.00 0.00 C ATOM 1183 C TRP A 162 -8.774 -10.252 -6.160 1.00 0.00 C ATOM 1184 O TRP A 162 -8.781 -9.900 -7.345 1.00 0.00 O ATOM 1185 CB TRP A 162 -10.621 -11.869 -5.523 1.00 0.00 C ATOM 1186 CG TRP A 162 -11.852 -12.269 -4.755 1.00 0.00 C ATOM 1187 CD1 TRP A 162 -13.045 -11.635 -4.765 1.00 0.00 C ATOM 1188 CD2 TRP A 162 -12.043 -13.419 -3.876 1.00 0.00 C ATOM 1189 NE1 TRP A 162 -13.973 -12.353 -4.042 1.00 0.00 N ATOM 1190 CE2 TRP A 162 -13.388 -13.422 -3.401 1.00 0.00 C ATOM 1191 CE3 TRP A 162 -11.203 -14.450 -3.408 1.00 0.00 C ATOM 1192 CZ2 TRP A 162 -13.845 -14.351 -2.454 1.00 0.00 C ATOM 1193 CZ3 TRP A 162 -11.642 -15.379 -2.445 1.00 0.00 C ATOM 1194 CH2 TRP A 162 -12.958 -15.319 -1.953 1.00 0.00 C ATOM 0 H TRP A 162 -11.316 -9.631 -6.842 1.00 0.00 H new ATOM 0 HA TRP A 162 -9.926 -10.304 -4.314 1.00 0.00 H new ATOM 0 HB2 TRP A 162 -10.825 -12.041 -6.580 1.00 0.00 H new ATOM 0 HB3 TRP A 162 -9.821 -12.552 -5.237 1.00 0.00 H new ATOM 0 HD1 TRP A 162 -13.243 -10.700 -5.267 1.00 0.00 H new ATOM 0 HE1 TRP A 162 -14.965 -12.122 -3.989 1.00 0.00 H new ATOM 0 HE3 TRP A 162 -10.199 -14.529 -3.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 -14.869 -14.322 -2.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 -10.966 -16.140 -2.083 1.00 0.00 H new ATOM 0 HH2 TRP A 162 -13.285 -16.014 -1.194 1.00 0.00 H new ATOM 1205 N LEU A 163 -7.651 -10.502 -5.498 1.00 0.00 N ATOM 1206 CA LEU A 163 -6.295 -10.398 -6.007 1.00 0.00 C ATOM 1207 C LEU A 163 -5.525 -11.586 -5.458 1.00 0.00 C ATOM 1208 O LEU A 163 -5.569 -11.829 -4.248 1.00 0.00 O ATOM 1209 CB LEU A 163 -5.666 -9.087 -5.504 1.00 0.00 C ATOM 1210 CG LEU A 163 -4.161 -8.938 -5.797 1.00 0.00 C ATOM 1211 CD1 LEU A 163 -3.870 -9.050 -7.291 1.00 0.00 C ATOM 1212 CD2 LEU A 163 -3.662 -7.579 -5.295 1.00 0.00 C ATOM 0 H LEU A 163 -7.669 -10.804 -4.524 1.00 0.00 H new ATOM 0 HA LEU A 163 -6.276 -10.396 -7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -6.195 -8.249 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -5.821 -9.016 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 163 -3.643 -9.744 -5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -2.799 -8.940 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -4.198 -10.024 -7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -4.405 -8.265 -7.826 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -2.597 -7.482 -5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -4.206 -6.782 -5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -3.827 -7.505 -4.220 1.00 0.00 H new ATOM 1224 N GLY A 164 -4.856 -12.328 -6.335 1.00 0.00 N ATOM 1225 CA GLY A 164 -4.049 -13.486 -5.995 1.00 0.00 C ATOM 1226 C GLY A 164 -4.730 -14.493 -5.065 1.00 0.00 C ATOM 1227 O GLY A 164 -4.060 -15.094 -4.227 1.00 0.00 O ATOM 0 H GLY A 164 -4.864 -12.129 -7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -3.766 -13.997 -6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -3.128 -13.143 -5.524 1.00 0.00 H new ATOM 1231 N GLY A 165 -6.057 -14.645 -5.154 1.00 0.00 N ATOM 1232 CA GLY A 165 -6.822 -15.587 -4.347 1.00 0.00 C ATOM 1233 C GLY A 165 -7.613 -15.030 -3.163 1.00 0.00 C ATOM 1234 O GLY A 165 -8.331 -15.817 -2.542 1.00 0.00 O ATOM 0 H GLY A 165 -6.633 -14.106 -5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -7.522 -16.102 -5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -6.132 -16.339 -3.965 1.00 0.00 H new ATOM 1238 N ARG A 166 -7.535 -13.741 -2.798 1.00 0.00 N ATOM 1239 CA ARG A 166 -8.326 -13.197 -1.672 1.00 0.00 C ATOM 1240 C ARG A 166 -8.815 -11.807 -1.986 1.00 0.00 C ATOM 1241 O ARG A 166 -8.248 -11.135 -2.844 1.00 0.00 O ATOM 1242 CB ARG A 166 -7.561 -13.143 -0.342 1.00 0.00 C ATOM 1243 CG ARG A 166 -7.179 -14.538 0.111 1.00 0.00 C ATOM 1244 CD ARG A 166 -6.504 -14.535 1.472 1.00 0.00 C ATOM 1245 NE ARG A 166 -5.779 -15.791 1.708 1.00 0.00 N ATOM 1246 CZ ARG A 166 -4.943 -15.975 2.734 1.00 0.00 C ATOM 1247 NH1 ARG A 166 -4.828 -15.026 3.663 1.00 0.00 N ATOM 1248 NH2 ARG A 166 -4.231 -17.091 2.836 1.00 0.00 N ATOM 0 H ARG A 166 -6.937 -13.056 -3.260 1.00 0.00 H new ATOM 0 HA ARG A 166 -9.158 -13.890 -1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -6.664 -12.534 -0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -8.177 -12.664 0.419 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -8.072 -15.162 0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -6.510 -14.986 -0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -5.812 -13.695 1.536 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -7.252 -14.392 2.252 1.00 0.00 H new ATOM 0 HE ARG A 166 -5.921 -16.562 1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -5.375 -14.169 3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -4.193 -15.157 4.450 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -4.319 -17.819 2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -3.596 -17.221 3.624 1.00 0.00 H new ATOM 1262 N GLN A 167 -9.878 -11.403 -1.301 1.00 0.00 N ATOM 1263 CA GLN A 167 -10.455 -10.080 -1.491 1.00 0.00 C ATOM 1264 C GLN A 167 -9.485 -9.000 -1.032 1.00 0.00 C ATOM 1265 O GLN A 167 -8.562 -9.257 -0.261 1.00 0.00 O ATOM 1266 CB GLN A 167 -11.813 -9.933 -0.794 1.00 0.00 C ATOM 1267 CG GLN A 167 -12.924 -10.439 -1.698 1.00 0.00 C ATOM 1268 CD GLN A 167 -14.300 -10.141 -1.129 1.00 0.00 C ATOM 1269 OE1 GLN A 167 -14.798 -10.850 -0.261 1.00 0.00 O ATOM 1270 NE2 GLN A 167 -14.970 -9.116 -1.617 1.00 0.00 N ATOM 0 H GLN A 167 -10.358 -11.976 -0.607 1.00 0.00 H new ATOM 0 HA GLN A 167 -10.633 -9.955 -2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -11.812 -10.492 0.142 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -11.988 -8.888 -0.540 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -12.830 -9.977 -2.681 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -12.815 -11.514 -1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -14.551 -8.530 -2.339 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -15.908 -8.909 -1.273 1.00 0.00 H new ATOM 1279 N ILE A 168 -9.725 -7.779 -1.504 1.00 0.00 N ATOM 1280 CA ILE A 168 -8.938 -6.605 -1.184 1.00 0.00 C ATOM 1281 C ILE A 168 -9.883 -5.434 -0.941 1.00 0.00 C ATOM 1282 O ILE A 168 -11.018 -5.409 -1.435 1.00 0.00 O ATOM 1283 CB ILE A 168 -7.908 -6.284 -2.295 1.00 0.00 C ATOM 1284 CG1 ILE A 168 -8.563 -5.782 -3.604 1.00 0.00 C ATOM 1285 CG2 ILE A 168 -7.017 -7.504 -2.576 1.00 0.00 C ATOM 1286 CD1 ILE A 168 -7.569 -5.253 -4.635 1.00 0.00 C ATOM 0 H ILE A 168 -10.498 -7.580 -2.139 1.00 0.00 H new ATOM 0 HA ILE A 168 -8.360 -6.797 -0.280 1.00 0.00 H new ATOM 0 HB ILE A 168 -7.293 -5.466 -1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 168 -9.132 -6.598 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 168 -9.274 -4.992 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 168 -6.300 -7.258 -3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 168 -6.481 -7.780 -1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 168 -7.637 -8.340 -2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 168 -8.108 -4.921 -5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 168 -7.017 -4.415 -4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 168 -6.872 -6.045 -4.909 1.00 0.00 H new ATOM 1298 N ARG A 169 -9.423 -4.445 -0.182 1.00 0.00 N ATOM 1299 CA ARG A 169 -10.166 -3.226 0.136 1.00 0.00 C ATOM 1300 C ARG A 169 -9.329 -2.059 -0.361 1.00 0.00 C ATOM 1301 O ARG A 169 -8.102 -2.179 -0.404 1.00 0.00 O ATOM 1302 CB ARG A 169 -10.522 -3.135 1.628 1.00 0.00 C ATOM 1303 CG ARG A 169 -9.328 -3.181 2.587 1.00 0.00 C ATOM 1304 CD ARG A 169 -9.778 -3.232 4.050 1.00 0.00 C ATOM 1305 NE ARG A 169 -10.557 -2.047 4.455 1.00 0.00 N ATOM 1306 CZ ARG A 169 -10.631 -1.551 5.695 1.00 0.00 C ATOM 1307 NH1 ARG A 169 -10.040 -2.165 6.711 1.00 0.00 N ATOM 1308 NH2 ARG A 169 -11.292 -0.421 5.909 1.00 0.00 N ATOM 0 H ARG A 169 -8.496 -4.468 0.242 1.00 0.00 H new ATOM 0 HA ARG A 169 -11.135 -3.219 -0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -11.069 -2.208 1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -11.198 -3.954 1.875 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -8.716 -4.055 2.364 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -8.701 -2.304 2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -10.380 -4.127 4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -8.901 -3.320 4.691 1.00 0.00 H new ATOM 0 HE ARG A 169 -11.084 -1.564 3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -9.520 -3.028 6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -10.106 -1.774 7.651 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -11.739 0.063 5.131 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -11.353 -0.036 6.852 1.00 0.00 H new ATOM 1322 N THR A 170 -9.959 -0.932 -0.672 1.00 0.00 N ATOM 1323 CA THR A 170 -9.295 0.255 -1.192 1.00 0.00 C ATOM 1324 C THR A 170 -9.850 1.511 -0.513 1.00 0.00 C ATOM 1325 O THR A 170 -10.977 1.494 -0.006 1.00 0.00 O ATOM 1326 CB THR A 170 -9.571 0.306 -2.711 1.00 0.00 C ATOM 1327 OG1 THR A 170 -10.975 0.290 -2.873 1.00 0.00 O ATOM 1328 CG2 THR A 170 -9.019 -0.902 -3.479 1.00 0.00 C ATOM 0 H THR A 170 -10.967 -0.817 -0.567 1.00 0.00 H new ATOM 0 HA THR A 170 -8.224 0.214 -0.995 1.00 0.00 H new ATOM 0 HB THR A 170 -9.083 1.197 -3.106 1.00 0.00 H new ATOM 0 HG1 THR A 170 -11.205 0.626 -3.764 1.00 0.00 H new ATOM 0 HG21 THR A 170 -9.251 -0.796 -4.539 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.938 -0.954 -3.347 1.00 0.00 H new ATOM 0 HG23 THR A 170 -9.475 -1.815 -3.097 1.00 0.00 H new ATOM 1336 N ASN A 171 -9.064 2.593 -0.471 1.00 0.00 N ATOM 1337 CA ASN A 171 -9.450 3.884 0.106 1.00 0.00 C ATOM 1338 C ASN A 171 -8.314 4.885 -0.125 1.00 0.00 C ATOM 1339 O ASN A 171 -7.188 4.498 -0.446 1.00 0.00 O ATOM 1340 CB ASN A 171 -9.687 3.782 1.636 1.00 0.00 C ATOM 1341 CG ASN A 171 -10.481 4.941 2.240 1.00 0.00 C ATOM 1342 OD1 ASN A 171 -10.839 5.920 1.589 1.00 0.00 O ATOM 1343 ND2 ASN A 171 -10.727 4.904 3.537 1.00 0.00 N ATOM 0 H ASN A 171 -8.116 2.594 -0.848 1.00 0.00 H new ATOM 0 HA ASN A 171 -10.376 4.202 -0.374 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -10.213 2.851 1.847 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -8.720 3.722 2.136 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -11.209 5.682 3.987 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -10.435 4.097 4.089 1.00 0.00 H new ATOM 1350 N TRP A 172 -8.583 6.175 0.048 1.00 0.00 N ATOM 1351 CA TRP A 172 -7.590 7.224 -0.083 1.00 0.00 C ATOM 1352 C TRP A 172 -6.703 7.137 1.156 1.00 0.00 C ATOM 1353 O TRP A 172 -7.220 7.193 2.282 1.00 0.00 O ATOM 1354 CB TRP A 172 -8.268 8.594 -0.136 1.00 0.00 C ATOM 1355 CG TRP A 172 -8.853 8.956 -1.457 1.00 0.00 C ATOM 1356 CD1 TRP A 172 -10.163 9.153 -1.727 1.00 0.00 C ATOM 1357 CD2 TRP A 172 -8.146 9.172 -2.710 1.00 0.00 C ATOM 1358 NE1 TRP A 172 -10.307 9.568 -3.035 1.00 0.00 N ATOM 1359 CE2 TRP A 172 -9.088 9.623 -3.671 1.00 0.00 C ATOM 1360 CE3 TRP A 172 -6.810 9.017 -3.143 1.00 0.00 C ATOM 1361 CZ2 TRP A 172 -8.706 9.962 -4.966 1.00 0.00 C ATOM 1362 CZ3 TRP A 172 -6.439 9.289 -4.475 1.00 0.00 C ATOM 1363 CH2 TRP A 172 -7.391 9.766 -5.391 1.00 0.00 C ATOM 0 H TRP A 172 -9.512 6.521 0.287 1.00 0.00 H new ATOM 0 HA TRP A 172 -7.012 7.102 -0.999 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -9.058 8.621 0.614 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -7.539 9.355 0.142 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -10.972 9.008 -1.027 1.00 0.00 H new ATOM 0 HE1 TRP A 172 -11.198 9.803 -3.472 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -6.060 8.684 -2.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 -9.433 10.380 -5.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -5.419 9.130 -4.793 1.00 0.00 H new ATOM 0 HH2 TRP A 172 -7.109 9.979 -6.412 1.00 0.00 H new ATOM 1374 N ALA A 173 -5.394 6.956 0.962 1.00 0.00 N ATOM 1375 CA ALA A 173 -4.431 6.869 2.049 1.00 0.00 C ATOM 1376 C ALA A 173 -4.435 8.215 2.768 1.00 0.00 C ATOM 1377 O ALA A 173 -3.973 9.213 2.210 1.00 0.00 O ATOM 1378 CB ALA A 173 -3.048 6.537 1.497 1.00 0.00 C ATOM 0 H ALA A 173 -4.975 6.866 0.036 1.00 0.00 H new ATOM 0 HA ALA A 173 -4.696 6.076 2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -2.334 6.474 2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -3.085 5.581 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -2.736 7.318 0.804 1.00 0.00 H new