USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 96 HIS : no HD1:sc= -0.0944 X(o=0.052,f=-0.12) USER MOD Set 1.2: A 124 SER OG : rot -149:sc= 0.274 USER MOD Set 1.3: A 144 SER OG : rot 123:sc= -0.128 USER MOD Set 2.1: A 138 LYS NZ :NH3+ 145:sc= -2.5 (180deg=-5.43!) USER MOD Set 2.2: A 140 TYR OH : rot 130:sc= -0.175 USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 160:sc= -0.773 USER MOD Single : A 109 THR OG1 : rot -73:sc= -0.114 USER MOD Single : A 110 THR OG1 : rot 78:sc= -3.51! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot -21:sc= 0.29 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ -166:sc= -0.442 (180deg=-0.835) USER MOD Single : A 132 MET CE :methyl -144:sc= -0.266 (180deg=-1.87!) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0.072 USER MOD Single : A 136 LYS NZ :NH3+ 166:sc=-0.000465 (180deg=-0.0786) USER MOD Single : A 137 SER OG : rot 171:sc= -0.193 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= 0.404 K(o=0.4,f=-5.2!) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 ASN : amide:sc= -0.0121 K(o=-0.012,f=-1.4!) USER MOD Single : A 157 HIS : no HD1:sc= -0.275 X(o=-0.27,f=-0.041) USER MOD Single : A 158 MET CE :methyl -134:sc= -5.56! (180deg=-11.2!) USER MOD Single : A 161 GLN : amide:sc= -0.877 K(o=-0.88,f=-0.096) USER MOD Single : A 167 GLN : amide:sc= -0.782 X(o=-0.78,f=-0.78) USER MOD Single : A 170 THR OG1 : rot 111:sc= 0.00802 USER MOD Single : A 171 ASN : amide:sc= -1.44 K(o=-1.4,f=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 -4.093 17.808 0.333 1.00 0.00 N ATOM 179 CA HIS A 96 -2.967 16.972 -0.070 1.00 0.00 C ATOM 180 C HIS A 96 -3.300 16.185 -1.334 1.00 0.00 C ATOM 181 O HIS A 96 -4.465 15.897 -1.610 1.00 0.00 O ATOM 182 CB HIS A 96 -2.588 16.012 1.058 1.00 0.00 C ATOM 183 CG HIS A 96 -2.295 16.699 2.356 1.00 0.00 C ATOM 184 ND1 HIS A 96 -2.527 16.117 3.585 1.00 0.00 N ATOM 185 CD2 HIS A 96 -1.785 17.926 2.613 1.00 0.00 C ATOM 186 CE1 HIS A 96 -2.173 16.957 4.541 1.00 0.00 C ATOM 187 NE2 HIS A 96 -1.719 18.062 3.978 1.00 0.00 N ATOM 0 HA HIS A 96 -2.120 17.624 -0.282 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.401 15.302 1.208 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.713 15.436 0.756 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.486 18.661 1.881 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.243 16.772 5.603 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.375 18.883 4.476 1.00 0.00 H new ATOM 196 N PHE A 97 -2.269 15.840 -2.099 1.00 0.00 N ATOM 197 CA PHE A 97 -2.453 15.087 -3.334 1.00 0.00 C ATOM 198 C PHE A 97 -2.367 13.586 -3.075 1.00 0.00 C ATOM 199 O PHE A 97 -1.458 13.113 -2.392 1.00 0.00 O ATOM 200 CB PHE A 97 -1.401 15.498 -4.367 1.00 0.00 C ATOM 201 CG PHE A 97 -1.592 16.891 -4.896 1.00 0.00 C ATOM 202 CD1 PHE A 97 -1.071 17.981 -4.217 1.00 0.00 C ATOM 203 CD2 PHE A 97 -2.292 17.111 -6.071 1.00 0.00 C ATOM 204 CE1 PHE A 97 -1.246 19.264 -4.701 1.00 0.00 C ATOM 205 CE2 PHE A 97 -2.470 18.391 -6.559 1.00 0.00 C ATOM 206 CZ PHE A 97 -1.945 19.469 -5.874 1.00 0.00 C ATOM 0 H PHE A 97 -1.298 16.070 -1.885 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.445 15.314 -3.724 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.412 15.422 -3.916 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.427 14.795 -5.200 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.522 17.826 -3.300 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.704 16.272 -6.612 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.836 20.105 -4.162 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.019 18.549 -7.475 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.081 20.470 -6.255 1.00 0.00 H new ATOM 216 N HIS A 98 -3.322 12.841 -3.623 1.00 0.00 N ATOM 217 CA HIS A 98 -3.356 11.393 -3.452 1.00 0.00 C ATOM 218 C HIS A 98 -2.714 10.690 -4.644 1.00 0.00 C ATOM 219 O HIS A 98 -3.138 10.870 -5.786 1.00 0.00 O ATOM 220 CB HIS A 98 -4.797 10.913 -3.276 1.00 0.00 C ATOM 221 CG HIS A 98 -5.639 11.835 -2.449 1.00 0.00 C ATOM 222 ND1 HIS A 98 -5.538 11.919 -1.077 1.00 0.00 N ATOM 223 CD2 HIS A 98 -6.600 12.717 -2.809 1.00 0.00 C ATOM 224 CE1 HIS A 98 -6.402 12.812 -0.628 1.00 0.00 C ATOM 225 NE2 HIS A 98 -7.059 13.312 -1.659 1.00 0.00 N ATOM 0 H HIS A 98 -4.083 13.216 -4.189 1.00 0.00 H new ATOM 0 HA HIS A 98 -2.787 11.144 -2.557 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.256 10.799 -4.258 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.789 9.927 -2.811 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -6.943 12.916 -3.814 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.547 13.087 0.406 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -7.788 14.024 -1.609 1.00 0.00 H new ATOM 234 N VAL A 99 -1.690 9.888 -4.371 1.00 0.00 N ATOM 235 CA VAL A 99 -0.990 9.157 -5.421 1.00 0.00 C ATOM 236 C VAL A 99 -1.277 7.663 -5.335 1.00 0.00 C ATOM 237 O VAL A 99 -1.088 7.042 -4.288 1.00 0.00 O ATOM 238 CB VAL A 99 0.532 9.382 -5.342 1.00 0.00 C ATOM 239 CG1 VAL A 99 1.247 8.574 -6.414 1.00 0.00 C ATOM 240 CG2 VAL A 99 0.859 10.862 -5.471 1.00 0.00 C ATOM 0 H VAL A 99 -1.326 9.728 -3.432 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.358 9.540 -6.373 1.00 0.00 H new ATOM 0 HB VAL A 99 0.883 9.040 -4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.321 8.745 -6.343 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.038 7.514 -6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.895 8.883 -7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.938 11.003 -5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.496 11.233 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.377 11.413 -4.663 1.00 0.00 H new ATOM 250 N PHE A 100 -1.734 7.089 -6.442 1.00 0.00 N ATOM 251 CA PHE A 100 -2.048 5.666 -6.493 1.00 0.00 C ATOM 252 C PHE A 100 -0.831 4.856 -6.930 1.00 0.00 C ATOM 253 O PHE A 100 -0.100 5.253 -7.837 1.00 0.00 O ATOM 254 CB PHE A 100 -3.214 5.413 -7.451 1.00 0.00 C ATOM 255 CG PHE A 100 -3.546 3.958 -7.620 1.00 0.00 C ATOM 256 CD1 PHE A 100 -2.846 3.174 -8.522 1.00 0.00 C ATOM 257 CD2 PHE A 100 -4.559 3.374 -6.876 1.00 0.00 C ATOM 258 CE1 PHE A 100 -3.148 1.835 -8.680 1.00 0.00 C ATOM 259 CE2 PHE A 100 -4.866 2.035 -7.030 1.00 0.00 C ATOM 260 CZ PHE A 100 -4.160 1.265 -7.934 1.00 0.00 C ATOM 0 H PHE A 100 -1.895 7.588 -7.317 1.00 0.00 H new ATOM 0 HA PHE A 100 -2.335 5.347 -5.491 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.096 5.938 -7.084 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.972 5.838 -8.425 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -2.054 3.615 -9.109 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.115 3.971 -6.168 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.593 1.235 -9.386 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.657 1.591 -6.444 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.399 0.219 -8.057 1.00 0.00 H new ATOM 270 N VAL A 101 -0.621 3.717 -6.278 1.00 0.00 N ATOM 271 CA VAL A 101 0.506 2.849 -6.598 1.00 0.00 C ATOM 272 C VAL A 101 0.047 1.413 -6.827 1.00 0.00 C ATOM 273 O VAL A 101 -0.599 0.813 -5.970 1.00 0.00 O ATOM 274 CB VAL A 101 1.564 2.866 -5.478 1.00 0.00 C ATOM 275 CG1 VAL A 101 2.694 1.898 -5.796 1.00 0.00 C ATOM 276 CG2 VAL A 101 2.099 4.275 -5.272 1.00 0.00 C ATOM 0 H VAL A 101 -1.217 3.374 -5.525 1.00 0.00 H new ATOM 0 HA VAL A 101 0.952 3.235 -7.515 1.00 0.00 H new ATOM 0 HB VAL A 101 1.092 2.543 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.432 1.924 -4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.293 0.889 -5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.168 2.187 -6.734 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.845 4.268 -4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.556 4.629 -6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.280 4.938 -4.995 1.00 0.00 H new ATOM 286 N GLY A 102 0.387 0.868 -7.991 1.00 0.00 N ATOM 287 CA GLY A 102 0.002 -0.494 -8.312 1.00 0.00 C ATOM 288 C GLY A 102 1.197 -1.414 -8.466 1.00 0.00 C ATOM 289 O GLY A 102 2.341 -0.988 -8.306 1.00 0.00 O ATOM 0 H GLY A 102 0.922 1.345 -8.717 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.650 -0.878 -7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.576 -0.497 -9.236 1.00 0.00 H new ATOM 293 N ASP A 103 0.932 -2.678 -8.776 1.00 0.00 N ATOM 294 CA ASP A 103 1.995 -3.661 -8.950 1.00 0.00 C ATOM 295 C ASP A 103 2.901 -3.706 -7.724 1.00 0.00 C ATOM 296 O ASP A 103 4.107 -3.926 -7.837 1.00 0.00 O ATOM 297 CB ASP A 103 2.819 -3.337 -10.197 1.00 0.00 C ATOM 298 CG ASP A 103 2.047 -3.577 -11.480 1.00 0.00 C ATOM 299 OD1 ASP A 103 1.548 -4.706 -11.669 1.00 0.00 O ATOM 300 OD2 ASP A 103 1.944 -2.637 -12.295 1.00 0.00 O ATOM 0 H ASP A 103 -0.009 -3.046 -8.912 1.00 0.00 H new ATOM 0 HA ASP A 103 1.533 -4.641 -9.073 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.138 -2.295 -10.158 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.722 -3.947 -10.201 1.00 0.00 H new ATOM 305 N LEU A 104 2.312 -3.493 -6.552 1.00 0.00 N ATOM 306 CA LEU A 104 3.067 -3.508 -5.303 1.00 0.00 C ATOM 307 C LEU A 104 3.313 -4.937 -4.832 1.00 0.00 C ATOM 308 O LEU A 104 2.378 -5.652 -4.470 1.00 0.00 O ATOM 309 CB LEU A 104 2.318 -2.725 -4.223 1.00 0.00 C ATOM 310 CG LEU A 104 2.413 -1.201 -4.311 1.00 0.00 C ATOM 311 CD1 LEU A 104 1.429 -0.549 -3.353 1.00 0.00 C ATOM 312 CD2 LEU A 104 3.832 -0.738 -4.018 1.00 0.00 C ATOM 0 H LEU A 104 1.315 -3.308 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 104 4.032 -3.034 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.266 -3.006 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.695 -3.037 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 104 2.155 -0.898 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.511 0.535 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.415 -0.855 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.655 -0.859 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.881 0.349 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.118 -1.053 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.515 -1.178 -4.744 1.00 0.00 H new ATOM 324 N SER A 105 4.577 -5.348 -4.839 1.00 0.00 N ATOM 325 CA SER A 105 4.947 -6.693 -4.414 1.00 0.00 C ATOM 326 C SER A 105 4.234 -7.068 -3.118 1.00 0.00 C ATOM 327 O SER A 105 3.866 -6.213 -2.312 1.00 0.00 O ATOM 328 CB SER A 105 6.461 -6.793 -4.224 1.00 0.00 C ATOM 329 OG SER A 105 6.789 -7.741 -3.223 1.00 0.00 O ATOM 0 H SER A 105 5.363 -4.768 -5.135 1.00 0.00 H new ATOM 0 HA SER A 105 4.640 -7.391 -5.193 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.931 -7.077 -5.166 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.861 -5.817 -3.950 1.00 0.00 H new ATOM 0 HG SER A 105 7.721 -8.025 -3.334 1.00 0.00 H new ATOM 335 N PRO A 106 4.034 -8.378 -2.912 1.00 0.00 N ATOM 336 CA PRO A 106 3.366 -8.898 -1.715 1.00 0.00 C ATOM 337 C PRO A 106 4.212 -8.729 -0.458 1.00 0.00 C ATOM 338 O PRO A 106 3.684 -8.654 0.651 1.00 0.00 O ATOM 339 CB PRO A 106 3.172 -10.382 -2.034 1.00 0.00 C ATOM 340 CG PRO A 106 4.244 -10.702 -3.017 1.00 0.00 C ATOM 341 CD PRO A 106 4.447 -9.453 -3.830 1.00 0.00 C ATOM 0 HA PRO A 106 2.437 -8.368 -1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.262 -10.995 -1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.183 -10.571 -2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.164 -10.992 -2.510 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.954 -11.538 -3.653 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.486 -9.340 -4.140 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.843 -9.461 -4.737 1.00 0.00 H new ATOM 349 N GLU A 107 5.528 -8.670 -0.640 1.00 0.00 N ATOM 350 CA GLU A 107 6.446 -8.510 0.481 1.00 0.00 C ATOM 351 C GLU A 107 6.477 -7.061 0.957 1.00 0.00 C ATOM 352 O GLU A 107 7.082 -6.746 1.983 1.00 0.00 O ATOM 353 CB GLU A 107 7.854 -8.957 0.083 1.00 0.00 C ATOM 354 CG GLU A 107 8.697 -7.847 -0.522 1.00 0.00 C ATOM 355 CD GLU A 107 9.907 -8.375 -1.269 1.00 0.00 C ATOM 356 OE1 GLU A 107 10.927 -8.672 -0.611 1.00 0.00 O ATOM 357 OE2 GLU A 107 9.835 -8.491 -2.510 1.00 0.00 O ATOM 0 H GLU A 107 5.981 -8.731 -1.552 1.00 0.00 H new ATOM 0 HA GLU A 107 6.091 -9.136 1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.363 -9.350 0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.777 -9.775 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.082 -7.259 -1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.028 -7.175 0.269 1.00 0.00 H new ATOM 364 N ILE A 108 5.821 -6.183 0.206 1.00 0.00 N ATOM 365 CA ILE A 108 5.772 -4.768 0.551 1.00 0.00 C ATOM 366 C ILE A 108 4.863 -4.526 1.751 1.00 0.00 C ATOM 367 O ILE A 108 3.875 -5.234 1.949 1.00 0.00 O ATOM 368 CB ILE A 108 5.278 -3.916 -0.634 1.00 0.00 C ATOM 369 CG1 ILE A 108 6.066 -4.259 -1.900 1.00 0.00 C ATOM 370 CG2 ILE A 108 5.403 -2.435 -0.310 1.00 0.00 C ATOM 371 CD1 ILE A 108 7.428 -3.603 -1.960 1.00 0.00 C ATOM 0 H ILE A 108 5.316 -6.427 -0.646 1.00 0.00 H new ATOM 0 HA ILE A 108 6.789 -4.469 0.803 1.00 0.00 H new ATOM 0 HB ILE A 108 4.226 -4.141 -0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.189 -5.340 -1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.487 -3.956 -2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 108 5.050 -1.846 -1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.802 -2.203 0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.447 -2.193 -0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.930 -3.890 -2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.312 -2.520 -1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.025 -3.926 -1.107 1.00 0.00 H new ATOM 383 N THR A 109 5.202 -3.518 2.549 1.00 0.00 N ATOM 384 CA THR A 109 4.416 -3.181 3.730 1.00 0.00 C ATOM 385 C THR A 109 4.192 -1.677 3.829 1.00 0.00 C ATOM 386 O THR A 109 4.921 -0.888 3.227 1.00 0.00 O ATOM 387 CB THR A 109 5.100 -3.673 5.019 1.00 0.00 C ATOM 388 OG1 THR A 109 6.449 -3.194 5.072 1.00 0.00 O ATOM 389 CG2 THR A 109 5.093 -5.193 5.089 1.00 0.00 C ATOM 0 H THR A 109 6.015 -2.921 2.399 1.00 0.00 H new ATOM 0 HA THR A 109 3.454 -3.683 3.624 1.00 0.00 H new ATOM 0 HB THR A 109 4.543 -3.283 5.871 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.995 -3.682 4.421 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.581 -5.517 6.008 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.064 -5.553 5.078 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.628 -5.599 4.231 1.00 0.00 H new ATOM 397 N THR A 110 3.178 -1.283 4.594 1.00 0.00 N ATOM 398 CA THR A 110 2.857 0.127 4.772 1.00 0.00 C ATOM 399 C THR A 110 4.071 0.909 5.262 1.00 0.00 C ATOM 400 O THR A 110 4.360 1.997 4.766 1.00 0.00 O ATOM 401 CB THR A 110 1.700 0.318 5.771 1.00 0.00 C ATOM 402 OG1 THR A 110 0.572 -0.468 5.370 1.00 0.00 O ATOM 403 CG2 THR A 110 1.298 1.783 5.859 1.00 0.00 C ATOM 0 H THR A 110 2.565 -1.922 5.100 1.00 0.00 H new ATOM 0 HA THR A 110 2.552 0.508 3.797 1.00 0.00 H new ATOM 0 HB THR A 110 2.039 -0.009 6.754 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.722 -1.405 5.615 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.479 1.894 6.570 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.151 2.375 6.192 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.976 2.131 4.878 1.00 0.00 H new ATOM 411 N GLU A 111 4.777 0.347 6.239 1.00 0.00 N ATOM 412 CA GLU A 111 5.959 0.993 6.795 1.00 0.00 C ATOM 413 C GLU A 111 7.046 1.144 5.735 1.00 0.00 C ATOM 414 O GLU A 111 7.834 2.090 5.768 1.00 0.00 O ATOM 415 CB GLU A 111 6.496 0.190 7.981 1.00 0.00 C ATOM 416 CG GLU A 111 7.828 0.698 8.508 1.00 0.00 C ATOM 417 CD GLU A 111 7.689 1.978 9.309 1.00 0.00 C ATOM 418 OE1 GLU A 111 6.739 2.744 9.042 1.00 0.00 O ATOM 419 OE2 GLU A 111 8.529 2.214 10.202 1.00 0.00 O ATOM 0 H GLU A 111 4.550 -0.554 6.661 1.00 0.00 H new ATOM 0 HA GLU A 111 5.671 1.986 7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.763 0.215 8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.607 -0.852 7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 111 8.284 -0.070 9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 111 8.504 0.870 7.670 1.00 0.00 H new ATOM 426 N ASP A 112 7.083 0.205 4.796 1.00 0.00 N ATOM 427 CA ASP A 112 8.073 0.232 3.726 1.00 0.00 C ATOM 428 C ASP A 112 7.797 1.380 2.760 1.00 0.00 C ATOM 429 O ASP A 112 8.686 2.175 2.455 1.00 0.00 O ATOM 430 CB ASP A 112 8.075 -1.098 2.970 1.00 0.00 C ATOM 431 CG ASP A 112 8.747 -2.208 3.754 1.00 0.00 C ATOM 432 OD1 ASP A 112 9.487 -1.895 4.709 1.00 0.00 O ATOM 433 OD2 ASP A 112 8.533 -3.390 3.411 1.00 0.00 O ATOM 0 H ASP A 112 6.439 -0.585 4.754 1.00 0.00 H new ATOM 0 HA ASP A 112 9.054 0.387 4.176 1.00 0.00 H new ATOM 0 HB2 ASP A 112 7.048 -1.386 2.745 1.00 0.00 H new ATOM 0 HB3 ASP A 112 8.587 -0.970 2.016 1.00 0.00 H new ATOM 438 N ILE A 113 6.560 1.459 2.281 1.00 0.00 N ATOM 439 CA ILE A 113 6.167 2.509 1.349 1.00 0.00 C ATOM 440 C ILE A 113 6.393 3.891 1.953 1.00 0.00 C ATOM 441 O ILE A 113 6.903 4.795 1.290 1.00 0.00 O ATOM 442 CB ILE A 113 4.689 2.375 0.940 1.00 0.00 C ATOM 443 CG1 ILE A 113 4.435 1.006 0.306 1.00 0.00 C ATOM 444 CG2 ILE A 113 4.301 3.490 -0.020 1.00 0.00 C ATOM 445 CD1 ILE A 113 3.074 0.884 -0.343 1.00 0.00 C ATOM 0 H ILE A 113 5.813 0.808 2.523 1.00 0.00 H new ATOM 0 HA ILE A 113 6.791 2.395 0.463 1.00 0.00 H new ATOM 0 HB ILE A 113 4.071 2.461 1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.204 0.813 -0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.534 0.236 1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.253 3.381 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.449 4.455 0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.923 3.434 -0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.963 -0.112 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.298 1.045 0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 113 2.979 1.631 -1.131 1.00 0.00 H new ATOM 457 N LYS A 114 6.011 4.049 3.215 1.00 0.00 N ATOM 458 CA LYS A 114 6.173 5.320 3.911 1.00 0.00 C ATOM 459 C LYS A 114 7.644 5.718 3.981 1.00 0.00 C ATOM 460 O LYS A 114 7.981 6.900 3.910 1.00 0.00 O ATOM 461 CB LYS A 114 5.592 5.229 5.324 1.00 0.00 C ATOM 462 CG LYS A 114 4.106 5.538 5.391 1.00 0.00 C ATOM 463 CD LYS A 114 3.579 5.437 6.813 1.00 0.00 C ATOM 464 CE LYS A 114 2.153 5.956 6.917 1.00 0.00 C ATOM 465 NZ LYS A 114 1.419 5.335 8.054 1.00 0.00 N ATOM 0 H LYS A 114 5.586 3.312 3.778 1.00 0.00 H new ATOM 0 HA LYS A 114 5.633 6.084 3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.764 4.226 5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.128 5.921 5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.924 6.541 5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.560 4.846 4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 114 3.614 4.399 7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.224 6.006 7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.169 7.039 7.043 1.00 0.00 H new ATOM 0 HE3 LYS A 114 1.623 5.751 5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.451 5.714 8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.382 4.304 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 1.910 5.552 8.944 1.00 0.00 H new ATOM 479 N SER A 115 8.516 4.724 4.118 1.00 0.00 N ATOM 480 CA SER A 115 9.951 4.971 4.198 1.00 0.00 C ATOM 481 C SER A 115 10.600 4.857 2.822 1.00 0.00 C ATOM 482 O SER A 115 11.754 5.240 2.635 1.00 0.00 O ATOM 483 CB SER A 115 10.606 3.985 5.167 1.00 0.00 C ATOM 484 OG SER A 115 11.979 4.286 5.351 1.00 0.00 O ATOM 0 H SER A 115 8.254 3.740 4.176 1.00 0.00 H new ATOM 0 HA SER A 115 10.100 5.986 4.567 1.00 0.00 H new ATOM 0 HB2 SER A 115 10.091 4.018 6.127 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.501 2.970 4.784 1.00 0.00 H new ATOM 0 HG SER A 115 12.299 4.828 4.600 1.00 0.00 H new ATOM 490 N ALA A 116 9.849 4.327 1.863 1.00 0.00 N ATOM 491 CA ALA A 116 10.349 4.163 0.504 1.00 0.00 C ATOM 492 C ALA A 116 9.927 5.332 -0.381 1.00 0.00 C ATOM 493 O ALA A 116 10.450 5.511 -1.481 1.00 0.00 O ATOM 494 CB ALA A 116 9.857 2.849 -0.085 1.00 0.00 C ATOM 0 H ALA A 116 8.892 4.004 2.002 1.00 0.00 H new ATOM 0 HA ALA A 116 11.438 4.145 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 116 10.238 2.740 -1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.213 2.020 0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.767 2.844 -0.104 1.00 0.00 H new ATOM 500 N PHE A 117 8.979 6.125 0.107 1.00 0.00 N ATOM 501 CA PHE A 117 8.486 7.276 -0.641 1.00 0.00 C ATOM 502 C PHE A 117 8.803 8.576 0.092 1.00 0.00 C ATOM 503 O PHE A 117 8.661 9.665 -0.464 1.00 0.00 O ATOM 504 CB PHE A 117 6.977 7.158 -0.864 1.00 0.00 C ATOM 505 CG PHE A 117 6.604 6.152 -1.916 1.00 0.00 C ATOM 506 CD1 PHE A 117 6.889 4.808 -1.740 1.00 0.00 C ATOM 507 CD2 PHE A 117 5.969 6.551 -3.081 1.00 0.00 C ATOM 508 CE1 PHE A 117 6.547 3.880 -2.705 1.00 0.00 C ATOM 509 CE2 PHE A 117 5.624 5.628 -4.049 1.00 0.00 C ATOM 510 CZ PHE A 117 5.915 4.290 -3.862 1.00 0.00 C ATOM 0 H PHE A 117 8.537 5.992 1.017 1.00 0.00 H new ATOM 0 HA PHE A 117 8.989 7.292 -1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.499 6.883 0.076 1.00 0.00 H new ATOM 0 HB3 PHE A 117 6.582 8.133 -1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 117 7.385 4.481 -0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 117 5.741 7.596 -3.234 1.00 0.00 H new ATOM 0 HE1 PHE A 117 6.774 2.835 -2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 117 5.127 5.952 -4.952 1.00 0.00 H new ATOM 0 HZ PHE A 117 5.649 3.567 -4.619 1.00 0.00 H new ATOM 520 N ALA A 118 9.231 8.454 1.344 1.00 0.00 N ATOM 521 CA ALA A 118 9.569 9.618 2.154 1.00 0.00 C ATOM 522 C ALA A 118 10.631 10.472 1.470 1.00 0.00 C ATOM 523 O ALA A 118 10.533 11.698 1.411 1.00 0.00 O ATOM 524 CB ALA A 118 10.045 9.183 3.532 1.00 0.00 C ATOM 0 H ALA A 118 9.352 7.560 1.820 1.00 0.00 H new ATOM 0 HA ALA A 118 8.670 10.224 2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.294 10.063 4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.254 8.621 4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 118 10.928 8.553 3.430 1.00 0.00 H new ATOM 530 N PRO A 119 11.672 9.812 0.942 1.00 0.00 N ATOM 531 CA PRO A 119 12.774 10.492 0.253 1.00 0.00 C ATOM 532 C PRO A 119 12.278 11.508 -0.770 1.00 0.00 C ATOM 533 O PRO A 119 13.029 12.380 -1.208 1.00 0.00 O ATOM 534 CB PRO A 119 13.515 9.349 -0.444 1.00 0.00 C ATOM 535 CG PRO A 119 13.212 8.144 0.377 1.00 0.00 C ATOM 536 CD PRO A 119 11.855 8.351 0.976 1.00 0.00 C ATOM 0 HA PRO A 119 13.396 11.063 0.942 1.00 0.00 H new ATOM 0 HB2 PRO A 119 13.173 9.224 -1.471 1.00 0.00 H new ATOM 0 HB3 PRO A 119 14.587 9.540 -0.486 1.00 0.00 H new ATOM 0 HG2 PRO A 119 13.229 7.244 -0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 119 13.961 8.011 1.157 1.00 0.00 H new ATOM 0 HD2 PRO A 119 11.083 7.838 0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 119 11.805 7.966 1.994 1.00 0.00 H new ATOM 544 N PHE A 120 11.009 11.391 -1.147 1.00 0.00 N ATOM 545 CA PHE A 120 10.413 12.299 -2.120 1.00 0.00 C ATOM 546 C PHE A 120 9.825 13.526 -1.429 1.00 0.00 C ATOM 547 O PHE A 120 9.961 14.649 -1.912 1.00 0.00 O ATOM 548 CB PHE A 120 9.326 11.581 -2.921 1.00 0.00 C ATOM 549 CG PHE A 120 9.827 10.374 -3.663 1.00 0.00 C ATOM 550 CD1 PHE A 120 10.760 10.506 -4.678 1.00 0.00 C ATOM 551 CD2 PHE A 120 9.364 9.107 -3.344 1.00 0.00 C ATOM 552 CE1 PHE A 120 11.222 9.397 -5.362 1.00 0.00 C ATOM 553 CE2 PHE A 120 9.822 7.995 -4.025 1.00 0.00 C ATOM 554 CZ PHE A 120 10.753 8.140 -5.034 1.00 0.00 C ATOM 0 H PHE A 120 10.373 10.676 -0.793 1.00 0.00 H new ATOM 0 HA PHE A 120 11.198 12.628 -2.801 1.00 0.00 H new ATOM 0 HB2 PHE A 120 8.528 11.276 -2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 120 8.889 12.280 -3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 120 11.131 11.486 -4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 120 8.637 8.987 -2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 120 11.949 9.513 -6.152 1.00 0.00 H new ATOM 0 HE2 PHE A 120 9.452 7.013 -3.768 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.114 7.272 -5.566 1.00 0.00 H new ATOM 564 N GLY A 121 9.169 13.301 -0.294 1.00 0.00 N ATOM 565 CA GLY A 121 8.569 14.396 0.445 1.00 0.00 C ATOM 566 C GLY A 121 7.740 13.917 1.620 1.00 0.00 C ATOM 567 O GLY A 121 7.158 12.833 1.579 1.00 0.00 O ATOM 0 H GLY A 121 9.043 12.380 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 121 9.354 15.060 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.939 14.981 -0.226 1.00 0.00 H new ATOM 571 N LYS A 122 7.687 14.725 2.673 1.00 0.00 N ATOM 572 CA LYS A 122 6.924 14.378 3.867 1.00 0.00 C ATOM 573 C LYS A 122 5.590 13.741 3.493 1.00 0.00 C ATOM 574 O LYS A 122 4.836 14.285 2.687 1.00 0.00 O ATOM 575 CB LYS A 122 6.685 15.624 4.723 1.00 0.00 C ATOM 576 CG LYS A 122 6.562 15.327 6.208 1.00 0.00 C ATOM 577 CD LYS A 122 5.513 14.261 6.478 1.00 0.00 C ATOM 578 CE LYS A 122 4.940 14.386 7.882 1.00 0.00 C ATOM 579 NZ LYS A 122 5.716 13.587 8.871 1.00 0.00 N ATOM 0 H LYS A 122 8.163 15.625 2.724 1.00 0.00 H new ATOM 0 HA LYS A 122 7.503 13.655 4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 122 7.506 16.324 4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.775 16.119 4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.526 14.997 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.300 16.240 6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.709 14.347 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.956 13.273 6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.939 15.434 8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.902 14.054 7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.294 13.699 9.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.696 12.583 8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.701 13.920 8.890 1.00 0.00 H new ATOM 593 N ILE A 123 5.305 12.586 4.086 1.00 0.00 N ATOM 594 CA ILE A 123 4.060 11.877 3.817 1.00 0.00 C ATOM 595 C ILE A 123 3.048 12.099 4.937 1.00 0.00 C ATOM 596 O ILE A 123 3.418 12.249 6.101 1.00 0.00 O ATOM 597 CB ILE A 123 4.299 10.365 3.648 1.00 0.00 C ATOM 598 CG1 ILE A 123 5.352 10.111 2.568 1.00 0.00 C ATOM 599 CG2 ILE A 123 2.996 9.658 3.303 1.00 0.00 C ATOM 600 CD1 ILE A 123 5.690 8.648 2.387 1.00 0.00 C ATOM 0 H ILE A 123 5.919 12.122 4.755 1.00 0.00 H new ATOM 0 HA ILE A 123 3.662 12.280 2.886 1.00 0.00 H new ATOM 0 HB ILE A 123 4.669 9.963 4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.993 10.513 1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 123 6.261 10.657 2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 123 3.181 8.590 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.273 9.816 4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 123 2.599 10.061 2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.443 8.542 1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.079 8.246 3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.792 8.100 2.102 1.00 0.00 H new ATOM 612 N SER A 124 1.769 12.116 4.576 1.00 0.00 N ATOM 613 CA SER A 124 0.703 12.320 5.549 1.00 0.00 C ATOM 614 C SER A 124 -0.178 11.079 5.659 1.00 0.00 C ATOM 615 O SER A 124 -0.647 10.732 6.743 1.00 0.00 O ATOM 616 CB SER A 124 -0.148 13.530 5.158 1.00 0.00 C ATOM 617 OG SER A 124 -1.212 13.151 4.302 1.00 0.00 O ATOM 0 H SER A 124 1.446 11.991 3.617 1.00 0.00 H new ATOM 0 HA SER A 124 1.162 12.505 6.520 1.00 0.00 H new ATOM 0 HB2 SER A 124 -0.549 14.001 6.055 1.00 0.00 H new ATOM 0 HB3 SER A 124 0.476 14.272 4.660 1.00 0.00 H new ATOM 0 HG SER A 124 -1.422 13.891 3.695 1.00 0.00 H new ATOM 623 N ASP A 125 -0.398 10.416 4.530 1.00 0.00 N ATOM 624 CA ASP A 125 -1.222 9.213 4.498 1.00 0.00 C ATOM 625 C ASP A 125 -0.630 8.175 3.549 1.00 0.00 C ATOM 626 O ASP A 125 -0.241 8.496 2.427 1.00 0.00 O ATOM 627 CB ASP A 125 -2.649 9.557 4.071 1.00 0.00 C ATOM 628 CG ASP A 125 -3.676 8.621 4.677 1.00 0.00 C ATOM 629 OD1 ASP A 125 -3.809 7.484 4.179 1.00 0.00 O ATOM 630 OD2 ASP A 125 -4.349 9.026 5.649 1.00 0.00 O ATOM 0 H ASP A 125 -0.017 10.691 3.624 1.00 0.00 H new ATOM 0 HA ASP A 125 -1.244 8.791 5.503 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -2.876 10.581 4.366 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -2.720 9.515 2.984 1.00 0.00 H new ATOM 635 N ALA A 126 -0.565 6.930 4.009 1.00 0.00 N ATOM 636 CA ALA A 126 -0.022 5.844 3.201 1.00 0.00 C ATOM 637 C ALA A 126 -0.406 4.486 3.778 1.00 0.00 C ATOM 638 O ALA A 126 -0.207 4.227 4.965 1.00 0.00 O ATOM 639 CB ALA A 126 1.490 5.969 3.098 1.00 0.00 C ATOM 0 H ALA A 126 -0.881 6.648 4.937 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.450 5.918 2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 126 1.882 5.152 2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.746 6.921 2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.928 5.924 4.095 1.00 0.00 H new ATOM 645 N ARG A 127 -0.956 3.622 2.931 1.00 0.00 N ATOM 646 CA ARG A 127 -1.369 2.291 3.358 1.00 0.00 C ATOM 647 C ARG A 127 -1.306 1.304 2.196 1.00 0.00 C ATOM 648 O ARG A 127 -1.276 1.701 1.031 1.00 0.00 O ATOM 649 CB ARG A 127 -2.787 2.332 3.930 1.00 0.00 C ATOM 650 CG ARG A 127 -3.874 2.251 2.870 1.00 0.00 C ATOM 651 CD ARG A 127 -5.261 2.263 3.493 1.00 0.00 C ATOM 652 NE ARG A 127 -5.710 0.922 3.856 1.00 0.00 N ATOM 653 CZ ARG A 127 -5.435 0.345 5.020 1.00 0.00 C ATOM 654 NH1 ARG A 127 -4.717 0.989 5.930 1.00 0.00 N ATOM 655 NH2 ARG A 127 -5.879 -0.879 5.277 1.00 0.00 N ATOM 0 H ARG A 127 -1.126 3.820 1.945 1.00 0.00 H new ATOM 0 HA ARG A 127 -0.681 1.956 4.135 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -2.911 1.506 4.630 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -2.914 3.253 4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -3.776 3.090 2.182 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -3.745 1.341 2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -5.254 2.896 4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -5.969 2.705 2.792 1.00 0.00 H new ATOM 0 HE ARG A 127 -6.265 0.400 3.178 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -4.374 1.930 5.737 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -4.507 0.543 6.823 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -6.432 -1.378 4.580 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -5.667 -1.321 6.171 1.00 0.00 H new ATOM 669 N VAL A 128 -1.287 0.015 2.522 1.00 0.00 N ATOM 670 CA VAL A 128 -1.228 -1.029 1.506 1.00 0.00 C ATOM 671 C VAL A 128 -2.460 -1.925 1.566 1.00 0.00 C ATOM 672 O VAL A 128 -2.547 -2.824 2.402 1.00 0.00 O ATOM 673 CB VAL A 128 0.033 -1.899 1.667 1.00 0.00 C ATOM 674 CG1 VAL A 128 0.226 -2.295 3.123 1.00 0.00 C ATOM 675 CG2 VAL A 128 -0.052 -3.130 0.778 1.00 0.00 C ATOM 0 H VAL A 128 -1.312 -0.331 3.481 1.00 0.00 H new ATOM 0 HA VAL A 128 -1.194 -0.527 0.539 1.00 0.00 H new ATOM 0 HB VAL A 128 0.899 -1.314 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.122 -2.909 3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 128 0.335 -1.398 3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -0.640 -2.862 3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 128 0.847 -3.733 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -0.926 -3.719 1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -0.138 -2.821 -0.264 1.00 0.00 H new ATOM 685 N VAL A 129 -3.413 -1.672 0.674 1.00 0.00 N ATOM 686 CA VAL A 129 -4.641 -2.456 0.624 1.00 0.00 C ATOM 687 C VAL A 129 -4.338 -3.949 0.577 1.00 0.00 C ATOM 688 O VAL A 129 -3.725 -4.440 -0.371 1.00 0.00 O ATOM 689 CB VAL A 129 -5.499 -2.078 -0.598 1.00 0.00 C ATOM 690 CG1 VAL A 129 -6.800 -2.865 -0.601 1.00 0.00 C ATOM 691 CG2 VAL A 129 -5.771 -0.582 -0.615 1.00 0.00 C ATOM 0 H VAL A 129 -3.358 -0.930 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.198 -2.230 1.533 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.946 -2.334 -1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.393 -2.585 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.580 -3.932 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -7.361 -2.644 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -6.378 -0.332 -1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.304 -0.299 0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -4.826 -0.041 -0.665 1.00 0.00 H new ATOM 701 N LYS A 130 -4.772 -4.669 1.606 1.00 0.00 N ATOM 702 CA LYS A 130 -4.550 -6.108 1.683 1.00 0.00 C ATOM 703 C LYS A 130 -5.858 -6.871 1.503 1.00 0.00 C ATOM 704 O LYS A 130 -6.942 -6.314 1.679 1.00 0.00 O ATOM 705 CB LYS A 130 -3.914 -6.475 3.025 1.00 0.00 C ATOM 706 CG LYS A 130 -2.400 -6.344 3.037 1.00 0.00 C ATOM 707 CD LYS A 130 -1.828 -6.621 4.417 1.00 0.00 C ATOM 708 CE LYS A 130 -0.575 -5.798 4.676 1.00 0.00 C ATOM 709 NZ LYS A 130 -0.890 -4.499 5.332 1.00 0.00 N ATOM 0 H LYS A 130 -5.280 -4.279 2.399 1.00 0.00 H new ATOM 0 HA LYS A 130 -3.872 -6.389 0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -4.332 -5.835 3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.184 -7.501 3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -1.968 -7.039 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -2.118 -5.340 2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -2.577 -6.393 5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -1.594 -7.682 4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 130 0.109 -6.367 5.306 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -0.061 -5.613 3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -0.061 -3.873 5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -1.694 -4.051 4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -1.135 -4.664 6.329 1.00 0.00 H new ATOM 723 N ASP A 131 -5.750 -8.147 1.152 1.00 0.00 N ATOM 724 CA ASP A 131 -6.925 -8.987 0.951 1.00 0.00 C ATOM 725 C ASP A 131 -7.668 -9.207 2.265 1.00 0.00 C ATOM 726 O ASP A 131 -7.086 -9.097 3.344 1.00 0.00 O ATOM 727 CB ASP A 131 -6.518 -10.334 0.350 1.00 0.00 C ATOM 728 CG ASP A 131 -7.705 -11.110 -0.186 1.00 0.00 C ATOM 729 OD1 ASP A 131 -8.561 -10.498 -0.859 1.00 0.00 O ATOM 730 OD2 ASP A 131 -7.778 -12.331 0.066 1.00 0.00 O ATOM 0 H ASP A 131 -4.861 -8.623 1.001 1.00 0.00 H new ATOM 0 HA ASP A 131 -7.593 -8.475 0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -5.802 -10.168 -0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -6.011 -10.929 1.109 1.00 0.00 H new ATOM 735 N MET A 132 -8.957 -9.515 2.166 1.00 0.00 N ATOM 736 CA MET A 132 -9.779 -9.750 3.347 1.00 0.00 C ATOM 737 C MET A 132 -9.883 -11.241 3.650 1.00 0.00 C ATOM 738 O MET A 132 -10.371 -11.637 4.708 1.00 0.00 O ATOM 739 CB MET A 132 -11.176 -9.160 3.147 1.00 0.00 C ATOM 740 CG MET A 132 -12.085 -9.328 4.354 1.00 0.00 C ATOM 741 SD MET A 132 -11.346 -8.700 5.874 1.00 0.00 S ATOM 742 CE MET A 132 -11.599 -10.091 6.973 1.00 0.00 C ATOM 0 H MET A 132 -9.455 -9.608 1.280 1.00 0.00 H new ATOM 0 HA MET A 132 -9.302 -9.258 4.195 1.00 0.00 H new ATOM 0 HB2 MET A 132 -11.084 -8.099 2.917 1.00 0.00 H new ATOM 0 HB3 MET A 132 -11.642 -9.634 2.283 1.00 0.00 H new ATOM 0 HG2 MET A 132 -13.026 -8.809 4.171 1.00 0.00 H new ATOM 0 HG3 MET A 132 -12.323 -10.384 4.480 1.00 0.00 H new ATOM 0 HE1 MET A 132 -11.815 -9.727 7.977 1.00 0.00 H new ATOM 0 HE2 MET A 132 -12.437 -10.689 6.616 1.00 0.00 H new ATOM 0 HE3 MET A 132 -10.699 -10.705 6.996 1.00 0.00 H new ATOM 752 N ALA A 133 -9.421 -12.064 2.714 1.00 0.00 N ATOM 753 CA ALA A 133 -9.460 -13.511 2.882 1.00 0.00 C ATOM 754 C ALA A 133 -8.092 -14.056 3.279 1.00 0.00 C ATOM 755 O ALA A 133 -7.967 -14.805 4.248 1.00 0.00 O ATOM 756 CB ALA A 133 -9.945 -14.178 1.604 1.00 0.00 C ATOM 0 H ALA A 133 -9.015 -11.753 1.831 1.00 0.00 H new ATOM 0 HA ALA A 133 -10.160 -13.739 3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -9.969 -15.259 1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -10.947 -13.821 1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -9.267 -13.933 0.786 1.00 0.00 H new ATOM 762 N THR A 134 -7.067 -13.675 2.523 1.00 0.00 N ATOM 763 CA THR A 134 -5.708 -14.126 2.795 1.00 0.00 C ATOM 764 C THR A 134 -4.958 -13.121 3.661 1.00 0.00 C ATOM 765 O THR A 134 -4.067 -13.489 4.426 1.00 0.00 O ATOM 766 CB THR A 134 -4.920 -14.352 1.491 1.00 0.00 C ATOM 767 OG1 THR A 134 -4.594 -13.093 0.891 1.00 0.00 O ATOM 768 CG2 THR A 134 -5.725 -15.192 0.511 1.00 0.00 C ATOM 0 H THR A 134 -7.152 -13.055 1.717 1.00 0.00 H new ATOM 0 HA THR A 134 -5.790 -15.072 3.330 1.00 0.00 H new ATOM 0 HB THR A 134 -4.002 -14.887 1.735 1.00 0.00 H new ATOM 0 HG1 THR A 134 -4.092 -13.245 0.063 1.00 0.00 H new ATOM 0 HG21 THR A 134 -5.148 -15.338 -0.402 1.00 0.00 H new ATOM 0 HG22 THR A 134 -5.947 -16.161 0.959 1.00 0.00 H new ATOM 0 HG23 THR A 134 -6.657 -14.680 0.273 1.00 0.00 H new ATOM 776 N GLY A 135 -5.324 -11.849 3.536 1.00 0.00 N ATOM 777 CA GLY A 135 -4.676 -10.810 4.315 1.00 0.00 C ATOM 778 C GLY A 135 -3.338 -10.399 3.732 1.00 0.00 C ATOM 779 O GLY A 135 -2.515 -9.790 4.416 1.00 0.00 O ATOM 0 H GLY A 135 -6.058 -11.519 2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -5.329 -9.939 4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -4.531 -11.162 5.336 1.00 0.00 H new ATOM 783 N LYS A 136 -3.118 -10.734 2.466 1.00 0.00 N ATOM 784 CA LYS A 136 -1.870 -10.397 1.790 1.00 0.00 C ATOM 785 C LYS A 136 -2.051 -9.179 0.890 1.00 0.00 C ATOM 786 O LYS A 136 -3.114 -8.984 0.300 1.00 0.00 O ATOM 787 CB LYS A 136 -1.376 -11.587 0.964 1.00 0.00 C ATOM 788 CG LYS A 136 -0.894 -12.754 1.807 1.00 0.00 C ATOM 789 CD LYS A 136 -1.106 -14.080 1.096 1.00 0.00 C ATOM 790 CE LYS A 136 0.088 -14.445 0.228 1.00 0.00 C ATOM 791 NZ LYS A 136 1.248 -14.901 1.044 1.00 0.00 N ATOM 0 H LYS A 136 -3.788 -11.239 1.886 1.00 0.00 H new ATOM 0 HA LYS A 136 -1.127 -10.157 2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -2.182 -11.927 0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -0.563 -11.257 0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 136 0.164 -12.627 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -1.426 -12.761 2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -1.275 -14.866 1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -2.002 -14.023 0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -0.197 -15.232 -0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 136 0.381 -13.581 -0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 1.948 -15.360 0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 1.685 -14.083 1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 0.922 -15.579 1.762 1.00 0.00 H new ATOM 805 N SER A 137 -1.006 -8.364 0.787 1.00 0.00 N ATOM 806 CA SER A 137 -1.051 -7.164 -0.041 1.00 0.00 C ATOM 807 C SER A 137 -1.634 -7.474 -1.416 1.00 0.00 C ATOM 808 O SER A 137 -0.978 -8.085 -2.259 1.00 0.00 O ATOM 809 CB SER A 137 0.351 -6.570 -0.191 1.00 0.00 C ATOM 810 OG SER A 137 0.865 -6.154 1.062 1.00 0.00 O ATOM 0 H SER A 137 -0.118 -8.513 1.266 1.00 0.00 H new ATOM 0 HA SER A 137 -1.696 -6.436 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 137 1.018 -7.310 -0.633 1.00 0.00 H new ATOM 0 HB3 SER A 137 0.319 -5.721 -0.874 1.00 0.00 H new ATOM 0 HG SER A 137 1.812 -5.921 0.966 1.00 0.00 H new ATOM 816 N LYS A 138 -2.874 -7.048 -1.635 1.00 0.00 N ATOM 817 CA LYS A 138 -3.548 -7.277 -2.908 1.00 0.00 C ATOM 818 C LYS A 138 -2.614 -6.989 -4.078 1.00 0.00 C ATOM 819 O LYS A 138 -2.656 -7.672 -5.101 1.00 0.00 O ATOM 820 CB LYS A 138 -4.798 -6.400 -3.011 1.00 0.00 C ATOM 821 CG LYS A 138 -5.985 -6.938 -2.232 1.00 0.00 C ATOM 822 CD LYS A 138 -7.302 -6.559 -2.889 1.00 0.00 C ATOM 823 CE LYS A 138 -8.422 -6.443 -1.866 1.00 0.00 C ATOM 824 NZ LYS A 138 -8.523 -5.066 -1.308 1.00 0.00 N ATOM 0 H LYS A 138 -3.432 -6.542 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 138 -3.842 -8.326 -2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -4.560 -5.400 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -5.077 -6.302 -4.060 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -5.912 -8.023 -2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -5.960 -6.549 -1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -7.188 -5.611 -3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -7.566 -7.308 -3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -9.369 -6.717 -2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -8.249 -7.151 -1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -9.521 -4.837 -1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -7.988 -5.012 -0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -8.131 -4.386 -1.990 1.00 0.00 H new ATOM 838 N GLY A 139 -1.769 -5.975 -3.920 1.00 0.00 N ATOM 839 CA GLY A 139 -0.835 -5.616 -4.971 1.00 0.00 C ATOM 840 C GLY A 139 -0.919 -4.150 -5.347 1.00 0.00 C ATOM 841 O GLY A 139 -0.396 -3.736 -6.381 1.00 0.00 O ATOM 0 H GLY A 139 -1.715 -5.395 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 139 0.179 -5.847 -4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -1.033 -6.226 -5.853 1.00 0.00 H new ATOM 845 N TYR A 140 -1.581 -3.363 -4.505 1.00 0.00 N ATOM 846 CA TYR A 140 -1.736 -1.935 -4.756 1.00 0.00 C ATOM 847 C TYR A 140 -1.971 -1.176 -3.454 1.00 0.00 C ATOM 848 O TYR A 140 -2.493 -1.727 -2.486 1.00 0.00 O ATOM 849 CB TYR A 140 -2.897 -1.688 -5.720 1.00 0.00 C ATOM 850 CG TYR A 140 -4.234 -2.153 -5.189 1.00 0.00 C ATOM 851 CD1 TYR A 140 -5.037 -1.306 -4.434 1.00 0.00 C ATOM 852 CD2 TYR A 140 -4.696 -3.439 -5.442 1.00 0.00 C ATOM 853 CE1 TYR A 140 -6.259 -1.727 -3.946 1.00 0.00 C ATOM 854 CE2 TYR A 140 -5.917 -3.868 -4.959 1.00 0.00 C ATOM 855 CZ TYR A 140 -6.695 -3.008 -4.212 1.00 0.00 C ATOM 856 OH TYR A 140 -7.912 -3.431 -3.728 1.00 0.00 O ATOM 0 H TYR A 140 -2.018 -3.690 -3.643 1.00 0.00 H new ATOM 0 HA TYR A 140 -0.814 -1.569 -5.208 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.954 -0.622 -5.941 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -2.692 -2.198 -6.661 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -4.700 -0.301 -4.225 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -4.090 -4.115 -6.027 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -6.870 -1.057 -3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -6.261 -4.871 -5.165 1.00 0.00 H new ATOM 0 HH TYR A 140 -8.432 -3.832 -4.456 1.00 0.00 H new ATOM 866 N GLY A 141 -1.581 0.096 -3.439 1.00 0.00 N ATOM 867 CA GLY A 141 -1.757 0.912 -2.252 1.00 0.00 C ATOM 868 C GLY A 141 -1.996 2.372 -2.582 1.00 0.00 C ATOM 869 O GLY A 141 -2.187 2.729 -3.745 1.00 0.00 O ATOM 0 H GLY A 141 -1.147 0.575 -4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -2.599 0.531 -1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -0.872 0.825 -1.621 1.00 0.00 H new ATOM 873 N PHE A 142 -1.987 3.218 -1.557 1.00 0.00 N ATOM 874 CA PHE A 142 -2.207 4.647 -1.744 1.00 0.00 C ATOM 875 C PHE A 142 -1.191 5.462 -0.949 1.00 0.00 C ATOM 876 O PHE A 142 -0.888 5.145 0.201 1.00 0.00 O ATOM 877 CB PHE A 142 -3.627 5.026 -1.319 1.00 0.00 C ATOM 878 CG PHE A 142 -4.696 4.312 -2.095 1.00 0.00 C ATOM 879 CD1 PHE A 142 -5.190 3.093 -1.660 1.00 0.00 C ATOM 880 CD2 PHE A 142 -5.207 4.860 -3.261 1.00 0.00 C ATOM 881 CE1 PHE A 142 -6.174 2.433 -2.372 1.00 0.00 C ATOM 882 CE2 PHE A 142 -6.191 4.205 -3.977 1.00 0.00 C ATOM 883 CZ PHE A 142 -6.674 2.990 -3.533 1.00 0.00 C ATOM 0 H PHE A 142 -1.830 2.939 -0.589 1.00 0.00 H new ATOM 0 HA PHE A 142 -2.080 4.874 -2.803 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -3.751 4.806 -0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -3.759 6.101 -1.439 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -4.802 2.653 -0.753 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -4.832 5.809 -3.614 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -6.551 1.484 -2.021 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -6.582 4.643 -4.883 1.00 0.00 H new ATOM 0 HZ PHE A 142 -7.442 2.476 -4.093 1.00 0.00 H new ATOM 893 N VAL A 143 -0.668 6.514 -1.571 1.00 0.00 N ATOM 894 CA VAL A 143 0.313 7.376 -0.923 1.00 0.00 C ATOM 895 C VAL A 143 0.023 8.846 -1.203 1.00 0.00 C ATOM 896 O VAL A 143 0.046 9.286 -2.352 1.00 0.00 O ATOM 897 CB VAL A 143 1.744 7.048 -1.391 1.00 0.00 C ATOM 898 CG1 VAL A 143 2.747 7.989 -0.741 1.00 0.00 C ATOM 899 CG2 VAL A 143 2.085 5.598 -1.083 1.00 0.00 C ATOM 0 H VAL A 143 -0.908 6.790 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 143 0.238 7.192 0.149 1.00 0.00 H new ATOM 0 HB VAL A 143 1.796 7.189 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 143 3.752 7.742 -1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 143 2.512 9.017 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 143 2.696 7.883 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 143 3.099 5.383 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 143 2.016 5.428 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 143 1.384 4.942 -1.599 1.00 0.00 H new ATOM 909 N SER A 144 -0.249 9.602 -0.144 1.00 0.00 N ATOM 910 CA SER A 144 -0.547 11.023 -0.275 1.00 0.00 C ATOM 911 C SER A 144 0.692 11.867 0.013 1.00 0.00 C ATOM 912 O SER A 144 1.581 11.451 0.756 1.00 0.00 O ATOM 913 CB SER A 144 -1.679 11.419 0.675 1.00 0.00 C ATOM 914 OG SER A 144 -1.309 11.206 2.026 1.00 0.00 O ATOM 0 H SER A 144 -0.269 9.254 0.814 1.00 0.00 H new ATOM 0 HA SER A 144 -0.862 11.209 -1.302 1.00 0.00 H new ATOM 0 HB2 SER A 144 -1.933 12.468 0.525 1.00 0.00 H new ATOM 0 HB3 SER A 144 -2.572 10.839 0.443 1.00 0.00 H new ATOM 0 HG SER A 144 -1.382 12.048 2.522 1.00 0.00 H new ATOM 920 N PHE A 145 0.742 13.054 -0.582 1.00 0.00 N ATOM 921 CA PHE A 145 1.871 13.957 -0.392 1.00 0.00 C ATOM 922 C PHE A 145 1.392 15.354 -0.008 1.00 0.00 C ATOM 923 O PHE A 145 0.384 15.839 -0.523 1.00 0.00 O ATOM 924 CB PHE A 145 2.716 14.027 -1.665 1.00 0.00 C ATOM 925 CG PHE A 145 3.718 12.914 -1.782 1.00 0.00 C ATOM 926 CD1 PHE A 145 4.950 13.004 -1.155 1.00 0.00 C ATOM 927 CD2 PHE A 145 3.428 11.778 -2.521 1.00 0.00 C ATOM 928 CE1 PHE A 145 5.874 11.981 -1.260 1.00 0.00 C ATOM 929 CE2 PHE A 145 4.347 10.752 -2.629 1.00 0.00 C ATOM 930 CZ PHE A 145 5.572 10.854 -1.999 1.00 0.00 C ATOM 0 H PHE A 145 0.014 13.413 -1.200 1.00 0.00 H new ATOM 0 HA PHE A 145 2.483 13.566 0.421 1.00 0.00 H new ATOM 0 HB2 PHE A 145 2.055 14.003 -2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 145 3.241 14.982 -1.691 1.00 0.00 H new ATOM 0 HD1 PHE A 145 5.192 13.884 -0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 145 2.473 11.694 -3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 145 6.830 12.063 -0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 145 4.108 9.871 -3.206 1.00 0.00 H new ATOM 0 HZ PHE A 145 6.292 10.054 -2.084 1.00 0.00 H new ATOM 940 N TYR A 146 2.121 15.995 0.898 1.00 0.00 N ATOM 941 CA TYR A 146 1.769 17.334 1.354 1.00 0.00 C ATOM 942 C TYR A 146 1.704 18.308 0.181 1.00 0.00 C ATOM 943 O TYR A 146 0.813 19.155 0.113 1.00 0.00 O ATOM 944 CB TYR A 146 2.786 17.828 2.385 1.00 0.00 C ATOM 945 CG TYR A 146 2.431 17.461 3.808 1.00 0.00 C ATOM 946 CD1 TYR A 146 2.811 16.237 4.346 1.00 0.00 C ATOM 947 CD2 TYR A 146 1.716 18.337 4.615 1.00 0.00 C ATOM 948 CE1 TYR A 146 2.489 15.897 5.645 1.00 0.00 C ATOM 949 CE2 TYR A 146 1.391 18.005 5.916 1.00 0.00 C ATOM 950 CZ TYR A 146 1.779 16.784 6.427 1.00 0.00 C ATOM 951 OH TYR A 146 1.456 16.450 7.722 1.00 0.00 O ATOM 0 H TYR A 146 2.960 15.609 1.331 1.00 0.00 H new ATOM 0 HA TYR A 146 0.784 17.286 1.819 1.00 0.00 H new ATOM 0 HB2 TYR A 146 3.765 17.413 2.145 1.00 0.00 H new ATOM 0 HB3 TYR A 146 2.871 18.912 2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.368 15.540 3.737 1.00 0.00 H new ATOM 0 HD2 TYR A 146 1.409 19.294 4.219 1.00 0.00 H new ATOM 0 HE1 TYR A 146 2.792 14.941 6.047 1.00 0.00 H new ATOM 0 HE2 TYR A 146 0.836 18.698 6.530 1.00 0.00 H new ATOM 0 HH TYR A 146 0.956 17.185 8.135 1.00 0.00 H new ATOM 961 N ASN A 147 2.653 18.181 -0.739 1.00 0.00 N ATOM 962 CA ASN A 147 2.704 19.049 -1.910 1.00 0.00 C ATOM 963 C ASN A 147 2.540 18.241 -3.194 1.00 0.00 C ATOM 964 O ASN A 147 2.410 17.017 -3.159 1.00 0.00 O ATOM 965 CB ASN A 147 4.027 19.817 -1.944 1.00 0.00 C ATOM 966 CG ASN A 147 3.904 21.150 -2.658 1.00 0.00 C ATOM 967 OD1 ASN A 147 3.963 21.217 -3.885 1.00 0.00 O ATOM 968 ND2 ASN A 147 3.732 22.219 -1.889 1.00 0.00 N ATOM 0 H ASN A 147 3.398 17.485 -0.697 1.00 0.00 H new ATOM 0 HA ASN A 147 1.880 19.759 -1.841 1.00 0.00 H new ATOM 0 HB2 ASN A 147 4.373 19.985 -0.924 1.00 0.00 H new ATOM 0 HB3 ASN A 147 4.784 19.210 -2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 147 3.643 23.143 -2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 147 3.689 22.116 -0.875 1.00 0.00 H new ATOM 975 N LYS A 148 2.546 18.934 -4.328 1.00 0.00 N ATOM 976 CA LYS A 148 2.400 18.283 -5.624 1.00 0.00 C ATOM 977 C LYS A 148 3.753 17.828 -6.160 1.00 0.00 C ATOM 978 O LYS A 148 3.908 16.686 -6.594 1.00 0.00 O ATOM 979 CB LYS A 148 1.737 19.234 -6.623 1.00 0.00 C ATOM 980 CG LYS A 148 1.361 18.571 -7.937 1.00 0.00 C ATOM 981 CD LYS A 148 0.368 19.412 -8.722 1.00 0.00 C ATOM 982 CE LYS A 148 -0.104 18.690 -9.975 1.00 0.00 C ATOM 983 NZ LYS A 148 -0.496 19.644 -11.049 1.00 0.00 N ATOM 0 H LYS A 148 2.651 19.948 -4.375 1.00 0.00 H new ATOM 0 HA LYS A 148 1.768 17.405 -5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 148 0.840 19.657 -6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 148 2.414 20.064 -6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 148 2.258 18.413 -8.535 1.00 0.00 H new ATOM 0 HG3 LYS A 148 0.932 17.589 -7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -0.489 19.648 -8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 148 0.830 20.359 -8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 148 0.690 18.038 -10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -0.952 18.052 -9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -0.812 19.114 -11.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -1.271 20.249 -10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 0.320 20.236 -11.302 1.00 0.00 H new ATOM 997 N LEU A 149 4.731 18.727 -6.126 1.00 0.00 N ATOM 998 CA LEU A 149 6.073 18.416 -6.607 1.00 0.00 C ATOM 999 C LEU A 149 6.561 17.087 -6.040 1.00 0.00 C ATOM 1000 O LEU A 149 6.768 16.124 -6.778 1.00 0.00 O ATOM 1001 CB LEU A 149 7.044 19.535 -6.225 1.00 0.00 C ATOM 1002 CG LEU A 149 8.383 19.541 -6.963 1.00 0.00 C ATOM 1003 CD1 LEU A 149 8.166 19.668 -8.463 1.00 0.00 C ATOM 1004 CD2 LEU A 149 9.267 20.670 -6.453 1.00 0.00 C ATOM 0 H LEU A 149 4.620 19.677 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 149 6.033 18.333 -7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.551 20.492 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 149 7.242 19.468 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 149 8.887 18.594 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 149 9.130 19.671 -8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 149 7.571 18.826 -8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 149 7.641 20.599 -8.677 1.00 0.00 H new ATOM 0 HD21 LEU A 149 10.216 20.660 -6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 149 8.768 21.625 -6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 149 9.451 20.535 -5.387 1.00 0.00 H new ATOM 1016 N ASP A 150 6.740 17.042 -4.724 1.00 0.00 N ATOM 1017 CA ASP A 150 7.200 15.830 -4.057 1.00 0.00 C ATOM 1018 C ASP A 150 6.506 14.597 -4.628 1.00 0.00 C ATOM 1019 O ASP A 150 7.159 13.625 -5.006 1.00 0.00 O ATOM 1020 CB ASP A 150 6.944 15.922 -2.552 1.00 0.00 C ATOM 1021 CG ASP A 150 5.501 16.254 -2.229 1.00 0.00 C ATOM 1022 OD1 ASP A 150 4.789 16.744 -3.131 1.00 0.00 O ATOM 1023 OD2 ASP A 150 5.082 16.022 -1.076 1.00 0.00 O ATOM 0 H ASP A 150 6.574 17.831 -4.099 1.00 0.00 H new ATOM 0 HA ASP A 150 8.272 15.735 -4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 150 7.209 14.975 -2.083 1.00 0.00 H new ATOM 0 HB3 ASP A 150 7.594 16.684 -2.122 1.00 0.00 H new ATOM 1028 N ALA A 151 5.180 14.646 -4.688 1.00 0.00 N ATOM 1029 CA ALA A 151 4.397 13.534 -5.214 1.00 0.00 C ATOM 1030 C ALA A 151 4.847 13.166 -6.624 1.00 0.00 C ATOM 1031 O ALA A 151 5.049 11.992 -6.933 1.00 0.00 O ATOM 1032 CB ALA A 151 2.916 13.880 -5.204 1.00 0.00 C ATOM 0 H ALA A 151 4.625 15.444 -4.379 1.00 0.00 H new ATOM 0 HA ALA A 151 4.561 12.669 -4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 151 2.344 13.041 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 151 2.598 14.087 -4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 151 2.744 14.760 -5.823 1.00 0.00 H new ATOM 1038 N GLU A 152 5.000 14.176 -7.474 1.00 0.00 N ATOM 1039 CA GLU A 152 5.425 13.956 -8.852 1.00 0.00 C ATOM 1040 C GLU A 152 6.770 13.236 -8.899 1.00 0.00 C ATOM 1041 O GLU A 152 6.973 12.330 -9.705 1.00 0.00 O ATOM 1042 CB GLU A 152 5.520 15.288 -9.598 1.00 0.00 C ATOM 1043 CG GLU A 152 4.237 15.678 -10.313 1.00 0.00 C ATOM 1044 CD GLU A 152 4.427 16.853 -11.252 1.00 0.00 C ATOM 1045 OE1 GLU A 152 4.825 17.936 -10.774 1.00 0.00 O ATOM 1046 OE2 GLU A 152 4.179 16.690 -12.465 1.00 0.00 O ATOM 0 H GLU A 152 4.836 15.154 -7.234 1.00 0.00 H new ATOM 0 HA GLU A 152 4.680 13.327 -9.339 1.00 0.00 H new ATOM 0 HB2 GLU A 152 5.785 16.073 -8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 152 6.329 15.230 -10.326 1.00 0.00 H new ATOM 0 HG2 GLU A 152 3.866 14.823 -10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 152 3.475 15.927 -9.574 1.00 0.00 H new ATOM 1053 N ASN A 153 7.685 13.649 -8.028 1.00 0.00 N ATOM 1054 CA ASN A 153 9.012 13.045 -7.970 1.00 0.00 C ATOM 1055 C ASN A 153 8.914 11.526 -7.871 1.00 0.00 C ATOM 1056 O ASN A 153 9.594 10.801 -8.597 1.00 0.00 O ATOM 1057 CB ASN A 153 9.794 13.596 -6.776 1.00 0.00 C ATOM 1058 CG ASN A 153 10.214 15.039 -6.977 1.00 0.00 C ATOM 1059 OD1 ASN A 153 10.152 15.567 -8.088 1.00 0.00 O ATOM 1060 ND2 ASN A 153 10.645 15.685 -5.900 1.00 0.00 N ATOM 0 H ASN A 153 7.533 14.399 -7.353 1.00 0.00 H new ATOM 0 HA ASN A 153 9.540 13.298 -8.889 1.00 0.00 H new ATOM 0 HB2 ASN A 153 9.181 13.520 -5.878 1.00 0.00 H new ATOM 0 HB3 ASN A 153 10.679 12.982 -6.610 1.00 0.00 H new ATOM 0 HD21 ASN A 153 10.941 16.658 -5.974 1.00 0.00 H new ATOM 0 HD22 ASN A 153 10.680 15.208 -4.999 1.00 0.00 H new ATOM 1067 N ALA A 154 8.063 11.051 -6.967 1.00 0.00 N ATOM 1068 CA ALA A 154 7.875 9.618 -6.774 1.00 0.00 C ATOM 1069 C ALA A 154 7.191 8.987 -7.983 1.00 0.00 C ATOM 1070 O ALA A 154 7.694 8.022 -8.558 1.00 0.00 O ATOM 1071 CB ALA A 154 7.066 9.358 -5.512 1.00 0.00 C ATOM 0 H ALA A 154 7.493 11.637 -6.357 1.00 0.00 H new ATOM 0 HA ALA A 154 8.857 9.158 -6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 154 6.933 8.284 -5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 154 7.594 9.767 -4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 154 6.091 9.836 -5.600 1.00 0.00 H new ATOM 1077 N ILE A 155 6.043 9.538 -8.361 1.00 0.00 N ATOM 1078 CA ILE A 155 5.291 9.029 -9.501 1.00 0.00 C ATOM 1079 C ILE A 155 6.220 8.672 -10.657 1.00 0.00 C ATOM 1080 O ILE A 155 5.981 7.708 -11.385 1.00 0.00 O ATOM 1081 CB ILE A 155 4.249 10.052 -9.992 1.00 0.00 C ATOM 1082 CG1 ILE A 155 3.148 10.233 -8.945 1.00 0.00 C ATOM 1083 CG2 ILE A 155 3.656 9.608 -11.321 1.00 0.00 C ATOM 1084 CD1 ILE A 155 2.235 11.405 -9.225 1.00 0.00 C ATOM 0 H ILE A 155 5.613 10.337 -7.895 1.00 0.00 H new ATOM 0 HA ILE A 155 4.774 8.131 -9.162 1.00 0.00 H new ATOM 0 HB ILE A 155 4.745 11.011 -10.140 1.00 0.00 H new ATOM 0 HG12 ILE A 155 2.552 9.322 -8.896 1.00 0.00 H new ATOM 0 HG13 ILE A 155 3.608 10.367 -7.966 1.00 0.00 H new ATOM 0 HG21 ILE A 155 2.922 10.341 -11.655 1.00 0.00 H new ATOM 0 HG22 ILE A 155 4.449 9.525 -12.064 1.00 0.00 H new ATOM 0 HG23 ILE A 155 3.172 8.639 -11.198 1.00 0.00 H new ATOM 0 HD11 ILE A 155 1.479 11.472 -8.443 1.00 0.00 H new ATOM 0 HD12 ILE A 155 2.819 12.325 -9.245 1.00 0.00 H new ATOM 0 HD13 ILE A 155 1.747 11.264 -10.189 1.00 0.00 H new ATOM 1096 N VAL A 156 7.281 9.456 -10.820 1.00 0.00 N ATOM 1097 CA VAL A 156 8.249 9.221 -11.885 1.00 0.00 C ATOM 1098 C VAL A 156 9.384 8.323 -11.408 1.00 0.00 C ATOM 1099 O VAL A 156 9.757 7.363 -12.083 1.00 0.00 O ATOM 1100 CB VAL A 156 8.839 10.544 -12.408 1.00 0.00 C ATOM 1101 CG1 VAL A 156 9.870 10.277 -13.494 1.00 0.00 C ATOM 1102 CG2 VAL A 156 7.734 11.454 -12.922 1.00 0.00 C ATOM 0 H VAL A 156 7.492 10.259 -10.228 1.00 0.00 H new ATOM 0 HA VAL A 156 7.715 8.725 -12.695 1.00 0.00 H new ATOM 0 HB VAL A 156 9.340 11.050 -11.582 1.00 0.00 H new ATOM 0 HG11 VAL A 156 10.276 11.224 -13.851 1.00 0.00 H new ATOM 0 HG12 VAL A 156 10.677 9.667 -13.088 1.00 0.00 H new ATOM 0 HG13 VAL A 156 9.398 9.749 -14.322 1.00 0.00 H new ATOM 0 HG21 VAL A 156 8.169 12.384 -13.288 1.00 0.00 H new ATOM 0 HG22 VAL A 156 7.203 10.958 -13.734 1.00 0.00 H new ATOM 0 HG23 VAL A 156 7.037 11.673 -12.113 1.00 0.00 H new ATOM 1112 N HIS A 157 9.932 8.641 -10.239 1.00 0.00 N ATOM 1113 CA HIS A 157 11.026 7.862 -9.670 1.00 0.00 C ATOM 1114 C HIS A 157 10.574 6.439 -9.356 1.00 0.00 C ATOM 1115 O HIS A 157 11.073 5.477 -9.938 1.00 0.00 O ATOM 1116 CB HIS A 157 11.553 8.534 -8.402 1.00 0.00 C ATOM 1117 CG HIS A 157 12.642 9.529 -8.660 1.00 0.00 C ATOM 1118 ND1 HIS A 157 13.982 9.229 -8.531 1.00 0.00 N ATOM 1119 CD2 HIS A 157 12.584 10.826 -9.042 1.00 0.00 C ATOM 1120 CE1 HIS A 157 14.700 10.299 -8.822 1.00 0.00 C ATOM 1121 NE2 HIS A 157 13.876 11.282 -9.136 1.00 0.00 N ATOM 0 H HIS A 157 9.636 9.433 -9.668 1.00 0.00 H new ATOM 0 HA HIS A 157 11.828 7.815 -10.407 1.00 0.00 H new ATOM 0 HB2 HIS A 157 10.727 9.034 -7.896 1.00 0.00 H new ATOM 0 HB3 HIS A 157 11.926 7.768 -7.723 1.00 0.00 H new ATOM 0 HD2 HIS A 157 11.688 11.397 -9.237 1.00 0.00 H new ATOM 0 HE1 HIS A 157 15.778 10.360 -8.806 1.00 0.00 H new ATOM 0 HE2 HIS A 157 14.154 12.226 -9.405 1.00 0.00 H new ATOM 1130 N MET A 158 9.627 6.315 -8.432 1.00 0.00 N ATOM 1131 CA MET A 158 9.107 5.010 -8.042 1.00 0.00 C ATOM 1132 C MET A 158 8.476 4.297 -9.233 1.00 0.00 C ATOM 1133 O MET A 158 8.601 3.082 -9.380 1.00 0.00 O ATOM 1134 CB MET A 158 8.079 5.161 -6.919 1.00 0.00 C ATOM 1135 CG MET A 158 8.655 5.750 -5.642 1.00 0.00 C ATOM 1136 SD MET A 158 10.125 4.872 -5.074 1.00 0.00 S ATOM 1137 CE MET A 158 9.442 3.250 -4.741 1.00 0.00 C ATOM 0 H MET A 158 9.204 7.102 -7.940 1.00 0.00 H new ATOM 0 HA MET A 158 9.941 4.408 -7.682 1.00 0.00 H new ATOM 0 HB2 MET A 158 7.264 5.796 -7.267 1.00 0.00 H new ATOM 0 HB3 MET A 158 7.650 4.184 -6.697 1.00 0.00 H new ATOM 0 HG2 MET A 158 8.904 6.798 -5.810 1.00 0.00 H new ATOM 0 HG3 MET A 158 7.896 5.724 -4.860 1.00 0.00 H new ATOM 0 HE1 MET A 158 9.801 2.895 -3.775 1.00 0.00 H new ATOM 0 HE2 MET A 158 8.354 3.310 -4.724 1.00 0.00 H new ATOM 0 HE3 MET A 158 9.755 2.556 -5.521 1.00 0.00 H new ATOM 1147 N GLY A 159 7.795 5.062 -10.082 1.00 0.00 N ATOM 1148 CA GLY A 159 7.154 4.485 -11.249 1.00 0.00 C ATOM 1149 C GLY A 159 7.990 3.396 -11.892 1.00 0.00 C ATOM 1150 O GLY A 159 8.858 3.676 -12.718 1.00 0.00 O ATOM 0 H GLY A 159 7.676 6.070 -9.982 1.00 0.00 H new ATOM 0 HA2 GLY A 159 6.186 4.074 -10.962 1.00 0.00 H new ATOM 0 HA3 GLY A 159 6.962 5.271 -11.980 1.00 0.00 H new ATOM 1154 N GLY A 160 7.729 2.149 -11.510 1.00 0.00 N ATOM 1155 CA GLY A 160 8.474 1.033 -12.063 1.00 0.00 C ATOM 1156 C GLY A 160 9.679 0.665 -11.220 1.00 0.00 C ATOM 1157 O GLY A 160 10.105 -0.489 -11.207 1.00 0.00 O ATOM 0 H GLY A 160 7.015 1.892 -10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 160 7.816 0.168 -12.148 1.00 0.00 H new ATOM 0 HA3 GLY A 160 8.803 1.284 -13.071 1.00 0.00 H new ATOM 1161 N GLN A 161 10.229 1.649 -10.515 1.00 0.00 N ATOM 1162 CA GLN A 161 11.393 1.422 -9.667 1.00 0.00 C ATOM 1163 C GLN A 161 11.309 0.063 -8.979 1.00 0.00 C ATOM 1164 O GLN A 161 10.223 -0.492 -8.811 1.00 0.00 O ATOM 1165 CB GLN A 161 11.512 2.530 -8.620 1.00 0.00 C ATOM 1166 CG GLN A 161 12.726 2.387 -7.718 1.00 0.00 C ATOM 1167 CD GLN A 161 14.034 2.490 -8.478 1.00 0.00 C ATOM 1168 OE1 GLN A 161 14.245 3.427 -9.249 1.00 0.00 O ATOM 1169 NE2 GLN A 161 14.921 1.526 -8.265 1.00 0.00 N ATOM 0 H GLN A 161 9.887 2.610 -10.514 1.00 0.00 H new ATOM 0 HA GLN A 161 12.280 1.434 -10.301 1.00 0.00 H new ATOM 0 HB2 GLN A 161 11.558 3.494 -9.127 1.00 0.00 H new ATOM 0 HB3 GLN A 161 10.612 2.536 -8.005 1.00 0.00 H new ATOM 0 HG2 GLN A 161 12.695 3.159 -6.949 1.00 0.00 H new ATOM 0 HG3 GLN A 161 12.682 1.426 -7.206 1.00 0.00 H new ATOM 0 HE21 GLN A 161 14.705 0.768 -7.617 1.00 0.00 H new ATOM 0 HE22 GLN A 161 15.819 1.543 -8.749 1.00 0.00 H new ATOM 1178 N TRP A 162 12.461 -0.467 -8.585 1.00 0.00 N ATOM 1179 CA TRP A 162 12.516 -1.761 -7.915 1.00 0.00 C ATOM 1180 C TRP A 162 12.625 -1.589 -6.404 1.00 0.00 C ATOM 1181 O TRP A 162 13.725 -1.493 -5.858 1.00 0.00 O ATOM 1182 CB TRP A 162 13.702 -2.577 -8.434 1.00 0.00 C ATOM 1183 CG TRP A 162 13.554 -2.993 -9.866 1.00 0.00 C ATOM 1184 CD1 TRP A 162 13.941 -2.287 -10.970 1.00 0.00 C ATOM 1185 CD2 TRP A 162 12.977 -4.212 -10.349 1.00 0.00 C ATOM 1186 NE1 TRP A 162 13.639 -2.993 -12.109 1.00 0.00 N ATOM 1187 CE2 TRP A 162 13.048 -4.177 -11.756 1.00 0.00 C ATOM 1188 CE3 TRP A 162 12.410 -5.329 -9.730 1.00 0.00 C ATOM 1189 CZ2 TRP A 162 12.571 -5.217 -12.550 1.00 0.00 C ATOM 1190 CZ3 TRP A 162 11.937 -6.359 -10.520 1.00 0.00 C ATOM 1191 CH2 TRP A 162 12.021 -6.298 -11.918 1.00 0.00 C ATOM 0 H TRP A 162 13.369 -0.021 -8.718 1.00 0.00 H new ATOM 0 HA TRP A 162 11.591 -2.295 -8.135 1.00 0.00 H new ATOM 0 HB2 TRP A 162 14.614 -1.989 -8.326 1.00 0.00 H new ATOM 0 HB3 TRP A 162 13.821 -3.466 -7.815 1.00 0.00 H new ATOM 0 HD1 TRP A 162 14.415 -1.317 -10.950 1.00 0.00 H new ATOM 0 HE1 TRP A 162 13.825 -2.685 -13.064 1.00 0.00 H new ATOM 0 HE3 TRP A 162 12.343 -5.386 -8.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 12.633 -5.171 -13.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 11.495 -7.226 -10.052 1.00 0.00 H new ATOM 0 HH2 TRP A 162 11.644 -7.121 -12.507 1.00 0.00 H new ATOM 1202 N LEU A 163 11.480 -1.549 -5.733 1.00 0.00 N ATOM 1203 CA LEU A 163 11.447 -1.387 -4.284 1.00 0.00 C ATOM 1204 C LEU A 163 11.574 -2.736 -3.583 1.00 0.00 C ATOM 1205 O LEU A 163 12.595 -3.032 -2.964 1.00 0.00 O ATOM 1206 CB LEU A 163 10.149 -0.698 -3.857 1.00 0.00 C ATOM 1207 CG LEU A 163 10.140 -0.097 -2.451 1.00 0.00 C ATOM 1208 CD1 LEU A 163 8.878 0.722 -2.229 1.00 0.00 C ATOM 1209 CD2 LEU A 163 10.259 -1.192 -1.401 1.00 0.00 C ATOM 0 H LEU A 163 10.561 -1.627 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 163 12.294 -0.765 -3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 163 9.930 0.096 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 163 9.337 -1.422 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 163 11.000 0.565 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 163 8.889 1.142 -1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 163 8.836 1.530 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 163 8.004 0.082 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 163 10.251 -0.745 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 163 9.419 -1.880 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 163 11.192 -1.736 -1.547 1.00 0.00 H new ATOM 1221 N GLY A 164 10.529 -3.552 -3.686 1.00 0.00 N ATOM 1222 CA GLY A 164 10.545 -4.861 -3.059 1.00 0.00 C ATOM 1223 C GLY A 164 10.347 -5.984 -4.057 1.00 0.00 C ATOM 1224 O GLY A 164 9.307 -6.070 -4.708 1.00 0.00 O ATOM 0 H GLY A 164 9.672 -3.330 -4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 164 11.494 -5.001 -2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 164 9.761 -4.908 -2.303 1.00 0.00 H new ATOM 1228 N GLY A 165 11.350 -6.849 -4.179 1.00 0.00 N ATOM 1229 CA GLY A 165 11.262 -7.960 -5.109 1.00 0.00 C ATOM 1230 C GLY A 165 10.930 -7.512 -6.518 1.00 0.00 C ATOM 1231 O GLY A 165 11.823 -7.185 -7.299 1.00 0.00 O ATOM 0 H GLY A 165 12.221 -6.800 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 165 12.209 -8.499 -5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 165 10.500 -8.659 -4.764 1.00 0.00 H new ATOM 1235 N ARG A 166 9.642 -7.499 -6.845 1.00 0.00 N ATOM 1236 CA ARG A 166 9.194 -7.091 -8.171 1.00 0.00 C ATOM 1237 C ARG A 166 9.142 -5.570 -8.283 1.00 0.00 C ATOM 1238 O ARG A 166 9.449 -4.858 -7.328 1.00 0.00 O ATOM 1239 CB ARG A 166 7.816 -7.683 -8.472 1.00 0.00 C ATOM 1240 CG ARG A 166 7.792 -9.203 -8.471 1.00 0.00 C ATOM 1241 CD ARG A 166 6.435 -9.738 -8.042 1.00 0.00 C ATOM 1242 NE ARG A 166 6.214 -11.104 -8.508 1.00 0.00 N ATOM 1243 CZ ARG A 166 6.728 -12.176 -7.915 1.00 0.00 C ATOM 1244 NH1 ARG A 166 7.489 -12.040 -6.838 1.00 0.00 N ATOM 1245 NH2 ARG A 166 6.481 -13.386 -8.399 1.00 0.00 N ATOM 0 H ARG A 166 8.890 -7.766 -6.210 1.00 0.00 H new ATOM 0 HA ARG A 166 9.911 -7.468 -8.901 1.00 0.00 H new ATOM 0 HB2 ARG A 166 7.103 -7.316 -7.733 1.00 0.00 H new ATOM 0 HB3 ARG A 166 7.480 -7.323 -9.445 1.00 0.00 H new ATOM 0 HG2 ARG A 166 8.031 -9.572 -9.468 1.00 0.00 H new ATOM 0 HG3 ARG A 166 8.562 -9.580 -7.798 1.00 0.00 H new ATOM 0 HD2 ARG A 166 6.361 -9.709 -6.955 1.00 0.00 H new ATOM 0 HD3 ARG A 166 5.650 -9.090 -8.432 1.00 0.00 H new ATOM 0 HE ARG A 166 5.633 -11.243 -9.335 1.00 0.00 H new ATOM 0 HH11 ARG A 166 7.681 -11.111 -6.463 1.00 0.00 H new ATOM 0 HH12 ARG A 166 7.883 -12.864 -6.384 1.00 0.00 H new ATOM 0 HH21 ARG A 166 5.896 -13.494 -9.227 1.00 0.00 H new ATOM 0 HH22 ARG A 166 6.876 -14.208 -7.943 1.00 0.00 H new ATOM 1259 N GLN A 167 8.752 -5.081 -9.456 1.00 0.00 N ATOM 1260 CA GLN A 167 8.661 -3.646 -9.693 1.00 0.00 C ATOM 1261 C GLN A 167 7.359 -3.083 -9.131 1.00 0.00 C ATOM 1262 O GLN A 167 6.531 -3.822 -8.599 1.00 0.00 O ATOM 1263 CB GLN A 167 8.756 -3.347 -11.190 1.00 0.00 C ATOM 1264 CG GLN A 167 10.148 -3.554 -11.764 1.00 0.00 C ATOM 1265 CD GLN A 167 10.236 -3.181 -13.231 1.00 0.00 C ATOM 1266 OE1 GLN A 167 9.613 -3.817 -14.083 1.00 0.00 O ATOM 1267 NE2 GLN A 167 11.011 -2.147 -13.534 1.00 0.00 N ATOM 0 H GLN A 167 8.494 -5.658 -10.257 1.00 0.00 H new ATOM 0 HA GLN A 167 9.495 -3.165 -9.181 1.00 0.00 H new ATOM 0 HB2 GLN A 167 8.053 -3.985 -11.725 1.00 0.00 H new ATOM 0 HB3 GLN A 167 8.449 -2.316 -11.366 1.00 0.00 H new ATOM 0 HG2 GLN A 167 10.863 -2.957 -11.198 1.00 0.00 H new ATOM 0 HG3 GLN A 167 10.436 -4.598 -11.641 1.00 0.00 H new ATOM 0 HE21 GLN A 167 11.509 -1.649 -12.796 1.00 0.00 H new ATOM 0 HE22 GLN A 167 11.109 -1.850 -14.505 1.00 0.00 H new ATOM 1276 N ILE A 168 7.186 -1.771 -9.254 1.00 0.00 N ATOM 1277 CA ILE A 168 5.985 -1.110 -8.760 1.00 0.00 C ATOM 1278 C ILE A 168 5.422 -0.144 -9.798 1.00 0.00 C ATOM 1279 O ILE A 168 6.075 0.159 -10.796 1.00 0.00 O ATOM 1280 CB ILE A 168 6.262 -0.340 -7.456 1.00 0.00 C ATOM 1281 CG1 ILE A 168 7.398 0.664 -7.663 1.00 0.00 C ATOM 1282 CG2 ILE A 168 6.601 -1.307 -6.331 1.00 0.00 C ATOM 1283 CD1 ILE A 168 7.499 1.698 -6.563 1.00 0.00 C ATOM 0 H ILE A 168 7.862 -1.145 -9.691 1.00 0.00 H new ATOM 0 HA ILE A 168 5.253 -1.893 -8.561 1.00 0.00 H new ATOM 0 HB ILE A 168 5.363 0.209 -7.178 1.00 0.00 H new ATOM 0 HG12 ILE A 168 8.342 0.123 -7.730 1.00 0.00 H new ATOM 0 HG13 ILE A 168 7.253 1.172 -8.616 1.00 0.00 H new ATOM 0 HG21 ILE A 168 6.794 -0.747 -5.416 1.00 0.00 H new ATOM 0 HG22 ILE A 168 5.764 -1.987 -6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 168 7.488 -1.881 -6.599 1.00 0.00 H new ATOM 0 HD11 ILE A 168 8.326 2.376 -6.776 1.00 0.00 H new ATOM 0 HD12 ILE A 168 6.569 2.265 -6.510 1.00 0.00 H new ATOM 0 HD13 ILE A 168 7.675 1.199 -5.610 1.00 0.00 H new ATOM 1295 N ARG A 169 4.208 0.336 -9.553 1.00 0.00 N ATOM 1296 CA ARG A 169 3.557 1.269 -10.466 1.00 0.00 C ATOM 1297 C ARG A 169 3.034 2.489 -9.715 1.00 0.00 C ATOM 1298 O ARG A 169 2.746 2.421 -8.519 1.00 0.00 O ATOM 1299 CB ARG A 169 2.407 0.577 -11.201 1.00 0.00 C ATOM 1300 CG ARG A 169 1.738 1.454 -12.247 1.00 0.00 C ATOM 1301 CD ARG A 169 0.797 0.648 -13.129 1.00 0.00 C ATOM 1302 NE ARG A 169 0.183 1.471 -14.168 1.00 0.00 N ATOM 1303 CZ ARG A 169 -0.293 0.981 -15.308 1.00 0.00 C ATOM 1304 NH1 ARG A 169 -0.227 -0.320 -15.553 1.00 0.00 N ATOM 1305 NH2 ARG A 169 -0.838 1.794 -16.204 1.00 0.00 N ATOM 0 H ARG A 169 3.655 0.095 -8.731 1.00 0.00 H new ATOM 0 HA ARG A 169 4.297 1.602 -11.194 1.00 0.00 H new ATOM 0 HB2 ARG A 169 2.785 -0.325 -11.683 1.00 0.00 H new ATOM 0 HB3 ARG A 169 1.660 0.260 -10.473 1.00 0.00 H new ATOM 0 HG2 ARG A 169 1.183 2.252 -11.754 1.00 0.00 H new ATOM 0 HG3 ARG A 169 2.499 1.931 -12.865 1.00 0.00 H new ATOM 0 HD2 ARG A 169 1.347 -0.171 -13.593 1.00 0.00 H new ATOM 0 HD3 ARG A 169 0.017 0.200 -12.513 1.00 0.00 H new ATOM 0 HE ARG A 169 0.116 2.476 -14.010 1.00 0.00 H new ATOM 0 HH11 ARG A 169 0.190 -0.948 -14.866 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -0.593 -0.693 -16.429 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -0.892 2.795 -16.018 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -1.203 1.417 -17.079 1.00 0.00 H new ATOM 1319 N THR A 170 2.913 3.607 -10.424 1.00 0.00 N ATOM 1320 CA THR A 170 2.427 4.844 -9.824 1.00 0.00 C ATOM 1321 C THR A 170 1.532 5.609 -10.793 1.00 0.00 C ATOM 1322 O THR A 170 1.725 5.554 -12.006 1.00 0.00 O ATOM 1323 CB THR A 170 3.591 5.754 -9.390 1.00 0.00 C ATOM 1324 OG1 THR A 170 4.462 5.998 -10.500 1.00 0.00 O ATOM 1325 CG2 THR A 170 4.377 5.121 -8.252 1.00 0.00 C ATOM 0 H THR A 170 3.145 3.681 -11.415 1.00 0.00 H new ATOM 0 HA THR A 170 1.849 4.563 -8.944 1.00 0.00 H new ATOM 0 HB THR A 170 3.174 6.699 -9.041 1.00 0.00 H new ATOM 0 HG1 THR A 170 4.387 6.936 -10.775 1.00 0.00 H new ATOM 0 HG21 THR A 170 5.194 5.782 -7.962 1.00 0.00 H new ATOM 0 HG22 THR A 170 3.718 4.963 -7.398 1.00 0.00 H new ATOM 0 HG23 THR A 170 4.783 4.164 -8.579 1.00 0.00 H new ATOM 1333 N ASN A 171 0.553 6.324 -10.248 1.00 0.00 N ATOM 1334 CA ASN A 171 -0.372 7.101 -11.065 1.00 0.00 C ATOM 1335 C ASN A 171 -1.303 7.935 -10.189 1.00 0.00 C ATOM 1336 O ASN A 171 -1.668 7.524 -9.087 1.00 0.00 O ATOM 1337 CB ASN A 171 -1.193 6.175 -11.964 1.00 0.00 C ATOM 1338 CG ASN A 171 -1.618 4.906 -11.252 1.00 0.00 C ATOM 1339 OD1 ASN A 171 -0.783 4.088 -10.865 1.00 0.00 O ATOM 1340 ND2 ASN A 171 -2.923 4.735 -11.076 1.00 0.00 N ATOM 0 H ASN A 171 0.380 6.381 -9.244 1.00 0.00 H new ATOM 0 HA ASN A 171 0.213 7.777 -11.689 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -2.078 6.705 -12.315 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -0.607 5.915 -12.845 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -3.269 3.900 -10.604 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -3.580 5.439 -11.413 1.00 0.00 H new ATOM 1347 N TRP A 172 -1.682 9.106 -10.687 1.00 0.00 N ATOM 1348 CA TRP A 172 -2.571 9.997 -9.950 1.00 0.00 C ATOM 1349 C TRP A 172 -3.923 9.336 -9.702 1.00 0.00 C ATOM 1350 O TRP A 172 -4.605 8.926 -10.641 1.00 0.00 O ATOM 1351 CB TRP A 172 -2.764 11.307 -10.716 1.00 0.00 C ATOM 1352 CG TRP A 172 -1.503 12.107 -10.850 1.00 0.00 C ATOM 1353 CD1 TRP A 172 -0.770 12.296 -11.987 1.00 0.00 C ATOM 1354 CD2 TRP A 172 -0.829 12.824 -9.811 1.00 0.00 C ATOM 1355 NE1 TRP A 172 0.321 13.087 -11.716 1.00 0.00 N ATOM 1356 CE2 TRP A 172 0.307 13.425 -10.389 1.00 0.00 C ATOM 1357 CE3 TRP A 172 -1.074 13.018 -8.449 1.00 0.00 C ATOM 1358 CZ2 TRP A 172 1.193 14.204 -9.650 1.00 0.00 C ATOM 1359 CZ3 TRP A 172 -0.193 13.792 -7.717 1.00 0.00 C ATOM 1360 CH2 TRP A 172 0.929 14.378 -8.319 1.00 0.00 C ATOM 0 H TRP A 172 -1.388 9.461 -11.597 1.00 0.00 H new ATOM 0 HA TRP A 172 -2.110 10.212 -8.986 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -3.152 11.085 -11.710 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -3.516 11.910 -10.207 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -1.012 11.885 -12.956 1.00 0.00 H new ATOM 0 HE1 TRP A 172 1.027 13.375 -12.394 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -1.936 12.571 -7.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 2.059 14.655 -10.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -0.372 13.948 -6.663 1.00 0.00 H new ATOM 0 HH2 TRP A 172 1.598 14.978 -7.721 1.00 0.00 H new ATOM 1371 N ALA A 173 -4.304 9.235 -8.433 1.00 0.00 N ATOM 1372 CA ALA A 173 -5.575 8.625 -8.063 1.00 0.00 C ATOM 1373 C ALA A 173 -6.750 9.466 -8.551 1.00 0.00 C ATOM 1374 O ALA A 173 -7.560 9.011 -9.359 1.00 0.00 O ATOM 1375 CB ALA A 173 -5.649 8.434 -6.556 1.00 0.00 C ATOM 0 H ALA A 173 -3.750 9.568 -7.644 1.00 0.00 H new ATOM 0 HA ALA A 173 -5.636 7.649 -8.545 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -6.603 7.978 -6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -4.835 7.786 -6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -5.562 9.402 -6.062 1.00 0.00 H new