USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 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 124 SER OG : rot 91:sc= 0.0758 USER MOD Set 1.2: A 146 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 98 HIS : no HD1:sc= 0.107 X(o=0.22,f=-0.023) USER MOD Set 2.2: A 144 SER OG : rot -93:sc= 0.111 USER MOD Single : A 96 HIS : no HD1:sc= -4.3! C(o=-4.3!,f=-3.1!) USER MOD Single : A 105 SER OG : rot 160:sc= -0.848 USER MOD Single : A 109 THR OG1 : rot 180:sc= -1.58 USER MOD Single : A 110 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=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 180:sc= 0.0189 USER MOD Single : A 136 LYS NZ :NH3+ -167:sc= 0.89 (180deg=0.788) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ -127:sc= 1.31 (180deg=-0.584) USER MOD Single : A 140 TYR OH : rot 180:sc= -0.812 USER MOD Single : A 147 ASN : amide:sc= -0.0432 X(o=-0.043,f=-0.31) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 ASN : amide:sc= -0.0782 K(o=-0.078,f=-1.9!) USER MOD Single : A 157 HIS : no HD1:sc= -0.0506 X(o=-0.051,f=0.0035) USER MOD Single : A 158 MET CE :methyl -166:sc= -0.27 (180deg=-0.417) USER MOD Single : A 161 GLN : amide:sc=-0.00688 K(o=-0.0069,f=-1.2) USER MOD Single : A 167 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.6) USER MOD Single : A 170 THR OG1 : rot 139:sc= 1.12 USER MOD Single : A 171 ASN : amide:sc= -2.29! C(o=-2.3!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 -4.059 18.139 -0.163 1.00 0.00 N ATOM 179 CA HIS A 96 -2.921 17.291 -0.500 1.00 0.00 C ATOM 180 C HIS A 96 -3.201 16.482 -1.762 1.00 0.00 C ATOM 181 O HIS A 96 -4.355 16.304 -2.155 1.00 0.00 O ATOM 182 CB HIS A 96 -2.597 16.351 0.662 1.00 0.00 C ATOM 183 CG HIS A 96 -2.004 17.046 1.848 1.00 0.00 C ATOM 184 ND1 HIS A 96 -1.393 16.374 2.886 1.00 0.00 N ATOM 185 CD2 HIS A 96 -1.929 18.361 2.157 1.00 0.00 C ATOM 186 CE1 HIS A 96 -0.970 17.247 3.783 1.00 0.00 C ATOM 187 NE2 HIS A 96 -1.282 18.460 3.364 1.00 0.00 N ATOM 0 HA HIS A 96 -2.062 17.935 -0.687 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.509 15.840 0.970 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.903 15.585 0.316 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.308 19.181 1.564 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.456 17.009 4.703 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.076 19.329 3.857 1.00 0.00 H new ATOM 196 N PHE A 97 -2.139 15.994 -2.395 1.00 0.00 N ATOM 197 CA PHE A 97 -2.271 15.206 -3.614 1.00 0.00 C ATOM 198 C PHE A 97 -2.102 13.718 -3.321 1.00 0.00 C ATOM 199 O PHE A 97 -1.137 13.307 -2.675 1.00 0.00 O ATOM 200 CB PHE A 97 -1.238 15.653 -4.651 1.00 0.00 C ATOM 201 CG PHE A 97 -1.420 17.074 -5.103 1.00 0.00 C ATOM 202 CD1 PHE A 97 -1.118 18.128 -4.256 1.00 0.00 C ATOM 203 CD2 PHE A 97 -1.892 17.355 -6.375 1.00 0.00 C ATOM 204 CE1 PHE A 97 -1.285 19.437 -4.669 1.00 0.00 C ATOM 205 CE2 PHE A 97 -2.060 18.662 -6.794 1.00 0.00 C ATOM 206 CZ PHE A 97 -1.755 19.704 -5.940 1.00 0.00 C ATOM 0 H PHE A 97 -1.177 16.131 -2.083 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.272 15.369 -4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.239 15.539 -4.230 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.296 14.994 -5.517 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.748 17.925 -3.262 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.131 16.544 -7.047 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.048 20.250 -3.998 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.429 18.868 -7.788 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.884 20.726 -6.266 1.00 0.00 H new ATOM 216 N HIS A 98 -3.046 12.915 -3.800 1.00 0.00 N ATOM 217 CA HIS A 98 -3.003 11.472 -3.589 1.00 0.00 C ATOM 218 C HIS A 98 -2.382 10.766 -4.791 1.00 0.00 C ATOM 219 O HIS A 98 -2.731 11.048 -5.938 1.00 0.00 O ATOM 220 CB HIS A 98 -4.409 10.930 -3.335 1.00 0.00 C ATOM 221 CG HIS A 98 -5.264 11.844 -2.513 1.00 0.00 C ATOM 222 ND1 HIS A 98 -4.883 12.321 -1.276 1.00 0.00 N ATOM 223 CD2 HIS A 98 -6.487 12.371 -2.757 1.00 0.00 C ATOM 224 CE1 HIS A 98 -5.836 13.100 -0.795 1.00 0.00 C ATOM 225 NE2 HIS A 98 -6.820 13.147 -1.675 1.00 0.00 N ATOM 0 H HIS A 98 -3.850 13.239 -4.337 1.00 0.00 H new ATOM 0 HA HIS A 98 -2.383 11.276 -2.714 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -4.899 10.751 -4.292 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.332 9.967 -2.831 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -7.089 12.211 -3.639 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -5.814 13.611 0.156 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -7.687 13.674 -1.568 1.00 0.00 H new ATOM 234 N VAL A 99 -1.460 9.848 -4.521 1.00 0.00 N ATOM 235 CA VAL A 99 -0.791 9.102 -5.580 1.00 0.00 C ATOM 236 C VAL A 99 -1.155 7.623 -5.524 1.00 0.00 C ATOM 237 O VAL A 99 -1.025 6.979 -4.482 1.00 0.00 O ATOM 238 CB VAL A 99 0.740 9.246 -5.488 1.00 0.00 C ATOM 239 CG1 VAL A 99 1.426 8.296 -6.457 1.00 0.00 C ATOM 240 CG2 VAL A 99 1.156 10.685 -5.755 1.00 0.00 C ATOM 0 H VAL A 99 -1.159 9.603 -3.578 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.132 9.522 -6.526 1.00 0.00 H new ATOM 0 HB VAL A 99 1.052 8.982 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.507 8.413 -6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.153 7.269 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.111 8.524 -7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.241 10.769 -5.686 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.832 10.978 -6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.694 11.340 -5.017 1.00 0.00 H new ATOM 250 N PHE A 100 -1.611 7.088 -6.652 1.00 0.00 N ATOM 251 CA PHE A 100 -1.994 5.683 -6.732 1.00 0.00 C ATOM 252 C PHE A 100 -0.793 4.810 -7.081 1.00 0.00 C ATOM 253 O PHE A 100 0.003 5.151 -7.957 1.00 0.00 O ATOM 254 CB PHE A 100 -3.098 5.493 -7.775 1.00 0.00 C ATOM 255 CG PHE A 100 -3.436 4.052 -8.033 1.00 0.00 C ATOM 256 CD1 PHE A 100 -2.665 3.289 -8.894 1.00 0.00 C ATOM 257 CD2 PHE A 100 -4.527 3.462 -7.415 1.00 0.00 C ATOM 258 CE1 PHE A 100 -2.973 1.963 -9.133 1.00 0.00 C ATOM 259 CE2 PHE A 100 -4.840 2.137 -7.650 1.00 0.00 C ATOM 260 CZ PHE A 100 -4.063 1.387 -8.511 1.00 0.00 C ATOM 0 H PHE A 100 -1.724 7.606 -7.523 1.00 0.00 H new ATOM 0 HA PHE A 100 -2.369 5.378 -5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.995 6.015 -7.442 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.787 5.958 -8.710 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.813 3.736 -9.385 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.139 4.044 -6.742 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.362 1.378 -9.805 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.692 1.688 -7.161 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.308 0.352 -8.697 1.00 0.00 H new ATOM 270 N VAL A 101 -0.668 3.682 -6.390 1.00 0.00 N ATOM 271 CA VAL A 101 0.436 2.759 -6.627 1.00 0.00 C ATOM 272 C VAL A 101 -0.077 1.352 -6.917 1.00 0.00 C ATOM 273 O VAL A 101 -0.977 0.857 -6.240 1.00 0.00 O ATOM 274 CB VAL A 101 1.392 2.706 -5.420 1.00 0.00 C ATOM 275 CG1 VAL A 101 2.587 1.815 -5.724 1.00 0.00 C ATOM 276 CG2 VAL A 101 1.845 4.107 -5.038 1.00 0.00 C ATOM 0 H VAL A 101 -1.317 3.385 -5.662 1.00 0.00 H new ATOM 0 HA VAL A 101 0.979 3.131 -7.496 1.00 0.00 H new ATOM 0 HB VAL A 101 0.856 2.278 -4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.251 1.790 -4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.241 0.805 -5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.126 2.211 -6.585 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.520 4.051 -4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.364 4.564 -5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.977 4.711 -4.776 1.00 0.00 H new ATOM 286 N GLY A 102 0.504 0.713 -7.928 1.00 0.00 N ATOM 287 CA GLY A 102 0.093 -0.631 -8.290 1.00 0.00 C ATOM 288 C GLY A 102 1.270 -1.570 -8.462 1.00 0.00 C ATOM 289 O GLY A 102 2.424 -1.161 -8.331 1.00 0.00 O ATOM 0 H GLY A 102 1.252 1.102 -8.503 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.572 -1.024 -7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.478 -0.596 -9.218 1.00 0.00 H new ATOM 293 N ASP A 103 0.979 -2.833 -8.755 1.00 0.00 N ATOM 294 CA ASP A 103 2.023 -3.833 -8.945 1.00 0.00 C ATOM 295 C ASP A 103 2.940 -3.900 -7.728 1.00 0.00 C ATOM 296 O ASP A 103 4.134 -4.176 -7.851 1.00 0.00 O ATOM 297 CB ASP A 103 2.841 -3.517 -10.198 1.00 0.00 C ATOM 298 CG ASP A 103 2.121 -3.909 -11.473 1.00 0.00 C ATOM 299 OD1 ASP A 103 1.303 -4.851 -11.427 1.00 0.00 O ATOM 300 OD2 ASP A 103 2.377 -3.275 -12.519 1.00 0.00 O ATOM 0 H ASP A 103 0.029 -3.188 -8.866 1.00 0.00 H new ATOM 0 HA ASP A 103 1.543 -4.803 -9.070 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.064 -2.450 -10.223 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.795 -4.041 -10.147 1.00 0.00 H new ATOM 305 N LEU A 104 2.375 -3.645 -6.553 1.00 0.00 N ATOM 306 CA LEU A 104 3.141 -3.675 -5.312 1.00 0.00 C ATOM 307 C LEU A 104 3.356 -5.109 -4.839 1.00 0.00 C ATOM 308 O LEU A 104 2.399 -5.831 -4.559 1.00 0.00 O ATOM 309 CB LEU A 104 2.424 -2.870 -4.227 1.00 0.00 C ATOM 310 CG LEU A 104 2.593 -1.351 -4.296 1.00 0.00 C ATOM 311 CD1 LEU A 104 1.631 -0.664 -3.340 1.00 0.00 C ATOM 312 CD2 LEU A 104 4.030 -0.959 -3.984 1.00 0.00 C ATOM 0 H LEU A 104 1.388 -3.415 -6.434 1.00 0.00 H new ATOM 0 HA LEU A 104 4.115 -3.226 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.360 -3.100 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.779 -3.211 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 104 2.361 -1.024 -5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.765 0.416 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.606 -0.918 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.831 -0.996 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.131 0.125 -4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.290 -1.298 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.699 -1.422 -4.709 1.00 0.00 H new ATOM 324 N SER A 105 4.618 -5.515 -4.750 1.00 0.00 N ATOM 325 CA SER A 105 4.959 -6.863 -4.312 1.00 0.00 C ATOM 326 C SER A 105 4.241 -7.210 -3.011 1.00 0.00 C ATOM 327 O SER A 105 3.909 -6.341 -2.205 1.00 0.00 O ATOM 328 CB SER A 105 6.471 -6.994 -4.123 1.00 0.00 C ATOM 329 OG SER A 105 6.781 -7.986 -3.159 1.00 0.00 O ATOM 0 H SER A 105 5.422 -4.929 -4.976 1.00 0.00 H new ATOM 0 HA SER A 105 4.635 -7.561 -5.083 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.939 -7.248 -5.074 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.886 -6.036 -3.810 1.00 0.00 H new ATOM 0 HG SER A 105 7.708 -8.280 -3.279 1.00 0.00 H new ATOM 335 N PRO A 106 3.993 -8.511 -2.802 1.00 0.00 N ATOM 336 CA PRO A 106 3.312 -9.004 -1.601 1.00 0.00 C ATOM 337 C PRO A 106 4.172 -8.865 -0.349 1.00 0.00 C ATOM 338 O PRO A 106 3.654 -8.695 0.755 1.00 0.00 O ATOM 339 CB PRO A 106 3.061 -10.481 -1.916 1.00 0.00 C ATOM 340 CG PRO A 106 4.116 -10.841 -2.904 1.00 0.00 C ATOM 341 CD PRO A 106 4.360 -9.602 -3.720 1.00 0.00 C ATOM 0 HA PRO A 106 2.404 -8.440 -1.387 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.133 -11.095 -1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.064 -10.634 -2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.028 -11.163 -2.401 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.792 -11.667 -3.537 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.400 -9.528 -4.037 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.750 -9.589 -4.623 1.00 0.00 H new ATOM 349 N GLU A 107 5.487 -8.937 -0.528 1.00 0.00 N ATOM 350 CA GLU A 107 6.417 -8.819 0.588 1.00 0.00 C ATOM 351 C GLU A 107 6.425 -7.397 1.142 1.00 0.00 C ATOM 352 O GLU A 107 6.953 -7.145 2.226 1.00 0.00 O ATOM 353 CB GLU A 107 7.829 -9.215 0.149 1.00 0.00 C ATOM 354 CG GLU A 107 8.671 -8.041 -0.321 1.00 0.00 C ATOM 355 CD GLU A 107 9.671 -8.433 -1.392 1.00 0.00 C ATOM 356 OE1 GLU A 107 9.481 -9.493 -2.023 1.00 0.00 O ATOM 357 OE2 GLU A 107 10.644 -7.677 -1.599 1.00 0.00 O ATOM 0 H GLU A 107 5.932 -9.076 -1.435 1.00 0.00 H new ATOM 0 HA GLU A 107 6.086 -9.496 1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.335 -9.705 0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.759 -9.946 -0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.016 -7.261 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.203 -7.616 0.530 1.00 0.00 H new ATOM 364 N ILE A 108 5.837 -6.473 0.391 1.00 0.00 N ATOM 365 CA ILE A 108 5.775 -5.077 0.807 1.00 0.00 C ATOM 366 C ILE A 108 4.907 -4.911 2.049 1.00 0.00 C ATOM 367 O ILE A 108 4.070 -5.762 2.355 1.00 0.00 O ATOM 368 CB ILE A 108 5.222 -4.179 -0.316 1.00 0.00 C ATOM 369 CG1 ILE A 108 5.966 -4.447 -1.626 1.00 0.00 C ATOM 370 CG2 ILE A 108 5.336 -2.713 0.074 1.00 0.00 C ATOM 371 CD1 ILE A 108 7.387 -3.926 -1.631 1.00 0.00 C ATOM 0 H ILE A 108 5.397 -6.665 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 108 6.796 -4.771 1.037 1.00 0.00 H new ATOM 0 HB ILE A 108 4.168 -4.415 -0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.980 -5.521 -1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.416 -3.988 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.941 -2.091 -0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.766 -2.534 0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.383 -2.463 0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.854 -4.151 -2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.380 -2.847 -1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.953 -4.404 -0.831 1.00 0.00 H new ATOM 383 N THR A 109 5.110 -3.808 2.763 1.00 0.00 N ATOM 384 CA THR A 109 4.345 -3.529 3.972 1.00 0.00 C ATOM 385 C THR A 109 3.868 -2.082 4.000 1.00 0.00 C ATOM 386 O THR A 109 4.073 -1.331 3.045 1.00 0.00 O ATOM 387 CB THR A 109 5.176 -3.808 5.239 1.00 0.00 C ATOM 388 OG1 THR A 109 6.355 -2.995 5.241 1.00 0.00 O ATOM 389 CG2 THR A 109 5.566 -5.276 5.318 1.00 0.00 C ATOM 0 H THR A 109 5.798 -3.093 2.525 1.00 0.00 H new ATOM 0 HA THR A 109 3.481 -4.193 3.959 1.00 0.00 H new ATOM 0 HB THR A 109 4.565 -3.563 6.108 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.877 -3.177 6.050 1.00 0.00 H new ATOM 0 HG21 THR A 109 6.152 -5.449 6.221 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.666 -5.890 5.346 1.00 0.00 H new ATOM 0 HG23 THR A 109 6.160 -5.542 4.444 1.00 0.00 H new ATOM 397 N THR A 110 3.232 -1.694 5.101 1.00 0.00 N ATOM 398 CA THR A 110 2.725 -0.336 5.252 1.00 0.00 C ATOM 399 C THR A 110 3.844 0.630 5.626 1.00 0.00 C ATOM 400 O THR A 110 3.863 1.775 5.176 1.00 0.00 O ATOM 401 CB THR A 110 1.622 -0.264 6.324 1.00 0.00 C ATOM 402 OG1 THR A 110 0.520 -1.100 5.951 1.00 0.00 O ATOM 403 CG2 THR A 110 1.139 1.167 6.509 1.00 0.00 C ATOM 0 H THR A 110 3.056 -2.301 5.901 1.00 0.00 H new ATOM 0 HA THR A 110 2.305 -0.047 4.289 1.00 0.00 H new ATOM 0 HB THR A 110 2.040 -0.614 7.267 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.176 -1.050 6.639 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.360 1.192 7.271 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.973 1.795 6.822 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.737 1.540 5.567 1.00 0.00 H new ATOM 411 N GLU A 111 4.775 0.159 6.450 1.00 0.00 N ATOM 412 CA GLU A 111 5.898 0.983 6.883 1.00 0.00 C ATOM 413 C GLU A 111 6.969 1.057 5.799 1.00 0.00 C ATOM 414 O GLU A 111 7.844 1.922 5.834 1.00 0.00 O ATOM 415 CB GLU A 111 6.500 0.425 8.174 1.00 0.00 C ATOM 416 CG GLU A 111 7.756 1.153 8.624 1.00 0.00 C ATOM 417 CD GLU A 111 8.382 0.529 9.856 1.00 0.00 C ATOM 418 OE1 GLU A 111 7.685 0.425 10.887 1.00 0.00 O ATOM 419 OE2 GLU A 111 9.568 0.144 9.789 1.00 0.00 O ATOM 0 H GLU A 111 4.774 -0.787 6.831 1.00 0.00 H new ATOM 0 HA GLU A 111 5.526 1.990 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.754 0.481 8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.733 -0.630 8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 111 8.483 1.152 7.812 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.513 2.195 8.833 1.00 0.00 H new ATOM 426 N ASP A 112 6.893 0.143 4.838 1.00 0.00 N ATOM 427 CA ASP A 112 7.855 0.103 3.742 1.00 0.00 C ATOM 428 C ASP A 112 7.625 1.261 2.776 1.00 0.00 C ATOM 429 O ASP A 112 8.564 1.964 2.400 1.00 0.00 O ATOM 430 CB ASP A 112 7.756 -1.228 2.996 1.00 0.00 C ATOM 431 CG ASP A 112 8.501 -2.344 3.702 1.00 0.00 C ATOM 432 OD1 ASP A 112 9.104 -2.076 4.762 1.00 0.00 O ATOM 433 OD2 ASP A 112 8.482 -3.485 3.194 1.00 0.00 O ATOM 0 H ASP A 112 6.175 -0.580 4.795 1.00 0.00 H new ATOM 0 HA ASP A 112 8.855 0.199 4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 112 6.707 -1.505 2.891 1.00 0.00 H new ATOM 0 HB3 ASP A 112 8.156 -1.108 1.989 1.00 0.00 H new ATOM 438 N ILE A 113 6.373 1.452 2.376 1.00 0.00 N ATOM 439 CA ILE A 113 6.021 2.524 1.453 1.00 0.00 C ATOM 440 C ILE A 113 6.330 3.890 2.054 1.00 0.00 C ATOM 441 O ILE A 113 6.852 4.776 1.377 1.00 0.00 O ATOM 442 CB ILE A 113 4.530 2.469 1.069 1.00 0.00 C ATOM 443 CG1 ILE A 113 4.193 1.118 0.434 1.00 0.00 C ATOM 444 CG2 ILE A 113 4.186 3.607 0.120 1.00 0.00 C ATOM 445 CD1 ILE A 113 2.923 1.136 -0.386 1.00 0.00 C ATOM 0 H ILE A 113 5.585 0.878 2.677 1.00 0.00 H new ATOM 0 HA ILE A 113 6.624 2.380 0.557 1.00 0.00 H new ATOM 0 HB ILE A 113 3.933 2.582 1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.022 0.808 -0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.097 0.370 1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.129 3.555 -0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.393 4.561 0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.789 3.522 -0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.747 0.146 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.083 1.415 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.022 1.860 -1.195 1.00 0.00 H new ATOM 457 N LYS A 114 6.005 4.055 3.332 1.00 0.00 N ATOM 458 CA LYS A 114 6.251 5.313 4.028 1.00 0.00 C ATOM 459 C LYS A 114 7.728 5.687 3.971 1.00 0.00 C ATOM 460 O LYS A 114 8.077 6.864 3.880 1.00 0.00 O ATOM 461 CB LYS A 114 5.795 5.211 5.485 1.00 0.00 C ATOM 462 CG LYS A 114 4.320 5.513 5.685 1.00 0.00 C ATOM 463 CD LYS A 114 3.920 5.401 7.146 1.00 0.00 C ATOM 464 CE LYS A 114 2.482 5.843 7.366 1.00 0.00 C ATOM 465 NZ LYS A 114 1.883 5.204 8.570 1.00 0.00 N ATOM 0 H LYS A 114 5.571 3.333 3.907 1.00 0.00 H new ATOM 0 HA LYS A 114 5.678 6.094 3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.004 4.206 5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.383 5.901 6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.101 6.518 5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.723 4.823 5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.040 4.370 7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.587 6.012 7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.448 6.927 7.475 1.00 0.00 H new ATOM 0 HE3 LYS A 114 1.887 5.592 6.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.903 5.531 8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.892 4.170 8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 2.436 5.463 9.412 1.00 0.00 H new ATOM 479 N SER A 115 8.592 4.678 4.023 1.00 0.00 N ATOM 480 CA SER A 115 10.032 4.902 3.980 1.00 0.00 C ATOM 481 C SER A 115 10.556 4.795 2.551 1.00 0.00 C ATOM 482 O SER A 115 11.641 5.284 2.238 1.00 0.00 O ATOM 483 CB SER A 115 10.754 3.894 4.876 1.00 0.00 C ATOM 484 OG SER A 115 12.076 4.317 5.159 1.00 0.00 O ATOM 0 H SER A 115 8.320 3.698 4.095 1.00 0.00 H new ATOM 0 HA SER A 115 10.229 5.909 4.347 1.00 0.00 H new ATOM 0 HB2 SER A 115 10.202 3.770 5.807 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.777 2.920 4.387 1.00 0.00 H new ATOM 0 HG SER A 115 12.515 3.656 5.734 1.00 0.00 H new ATOM 490 N ALA A 116 9.776 4.152 1.688 1.00 0.00 N ATOM 491 CA ALA A 116 10.159 3.982 0.292 1.00 0.00 C ATOM 492 C ALA A 116 9.794 5.213 -0.531 1.00 0.00 C ATOM 493 O ALA A 116 10.340 5.433 -1.612 1.00 0.00 O ATOM 494 CB ALA A 116 9.497 2.742 -0.289 1.00 0.00 C ATOM 0 H ALA A 116 8.875 3.740 1.931 1.00 0.00 H new ATOM 0 HA ALA A 116 11.241 3.857 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 116 9.792 2.627 -1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.811 1.864 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.414 2.845 -0.227 1.00 0.00 H new ATOM 500 N PHE A 117 8.868 6.013 -0.013 1.00 0.00 N ATOM 501 CA PHE A 117 8.429 7.221 -0.701 1.00 0.00 C ATOM 502 C PHE A 117 8.892 8.470 0.044 1.00 0.00 C ATOM 503 O PHE A 117 8.736 9.589 -0.443 1.00 0.00 O ATOM 504 CB PHE A 117 6.905 7.231 -0.837 1.00 0.00 C ATOM 505 CG PHE A 117 6.391 6.288 -1.888 1.00 0.00 C ATOM 506 CD1 PHE A 117 6.578 4.921 -1.762 1.00 0.00 C ATOM 507 CD2 PHE A 117 5.721 6.770 -3.001 1.00 0.00 C ATOM 508 CE1 PHE A 117 6.106 4.051 -2.726 1.00 0.00 C ATOM 509 CE2 PHE A 117 5.246 5.904 -3.968 1.00 0.00 C ATOM 510 CZ PHE A 117 5.440 4.544 -3.832 1.00 0.00 C ATOM 0 H PHE A 117 8.407 5.846 0.881 1.00 0.00 H new ATOM 0 HA PHE A 117 8.876 7.225 -1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.461 6.969 0.123 1.00 0.00 H new ATOM 0 HB3 PHE A 117 6.576 8.242 -1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 117 7.099 4.531 -0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 117 5.568 7.833 -3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 117 6.257 2.987 -2.615 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.723 6.291 -4.830 1.00 0.00 H new ATOM 0 HZ PHE A 117 5.072 3.867 -4.588 1.00 0.00 H new ATOM 520 N ALA A 118 9.462 8.268 1.227 1.00 0.00 N ATOM 521 CA ALA A 118 9.950 9.377 2.039 1.00 0.00 C ATOM 522 C ALA A 118 10.979 10.204 1.276 1.00 0.00 C ATOM 523 O ALA A 118 10.934 11.435 1.262 1.00 0.00 O ATOM 524 CB ALA A 118 10.546 8.857 3.339 1.00 0.00 C ATOM 0 H ALA A 118 9.597 7.347 1.645 1.00 0.00 H new ATOM 0 HA ALA A 118 9.104 10.024 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.906 9.695 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.783 8.316 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 118 11.376 8.187 3.116 1.00 0.00 H new ATOM 530 N PRO A 119 11.929 9.516 0.627 1.00 0.00 N ATOM 531 CA PRO A 119 12.988 10.168 -0.149 1.00 0.00 C ATOM 532 C PRO A 119 12.443 11.239 -1.088 1.00 0.00 C ATOM 533 O PRO A 119 13.188 12.089 -1.575 1.00 0.00 O ATOM 534 CB PRO A 119 13.601 9.017 -0.950 1.00 0.00 C ATOM 535 CG PRO A 119 13.324 7.800 -0.137 1.00 0.00 C ATOM 536 CD PRO A 119 12.044 8.048 0.601 1.00 0.00 C ATOM 0 HA PRO A 119 13.701 10.687 0.491 1.00 0.00 H new ATOM 0 HB2 PRO A 119 13.153 8.942 -1.941 1.00 0.00 H new ATOM 0 HB3 PRO A 119 14.672 9.161 -1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 119 13.237 6.921 -0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 119 14.140 7.608 0.560 1.00 0.00 H new ATOM 0 HD2 PRO A 119 11.195 7.590 0.094 1.00 0.00 H new ATOM 0 HD3 PRO A 119 12.076 7.632 1.608 1.00 0.00 H new ATOM 544 N PHE A 120 11.138 11.192 -1.338 1.00 0.00 N ATOM 545 CA PHE A 120 10.493 12.158 -2.219 1.00 0.00 C ATOM 546 C PHE A 120 9.993 13.364 -1.430 1.00 0.00 C ATOM 547 O PHE A 120 9.978 14.486 -1.934 1.00 0.00 O ATOM 548 CB PHE A 120 9.328 11.502 -2.964 1.00 0.00 C ATOM 549 CG PHE A 120 9.717 10.255 -3.705 1.00 0.00 C ATOM 550 CD1 PHE A 120 10.621 10.309 -4.753 1.00 0.00 C ATOM 551 CD2 PHE A 120 9.178 9.028 -3.353 1.00 0.00 C ATOM 552 CE1 PHE A 120 10.979 9.163 -5.437 1.00 0.00 C ATOM 553 CE2 PHE A 120 9.533 7.878 -4.033 1.00 0.00 C ATOM 554 CZ PHE A 120 10.435 7.946 -5.076 1.00 0.00 C ATOM 0 H PHE A 120 10.507 10.495 -0.943 1.00 0.00 H new ATOM 0 HA PHE A 120 11.231 12.501 -2.944 1.00 0.00 H new ATOM 0 HB2 PHE A 120 8.541 11.260 -2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 120 8.909 12.219 -3.670 1.00 0.00 H new ATOM 0 HD1 PHE A 120 11.051 11.258 -5.039 1.00 0.00 H new ATOM 0 HD2 PHE A 120 8.472 8.969 -2.538 1.00 0.00 H new ATOM 0 HE1 PHE A 120 11.684 9.219 -6.253 1.00 0.00 H new ATOM 0 HE2 PHE A 120 9.105 6.928 -3.749 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.715 7.049 -5.609 1.00 0.00 H new ATOM 564 N GLY A 121 9.582 13.123 -0.189 1.00 0.00 N ATOM 565 CA GLY A 121 9.086 14.198 0.650 1.00 0.00 C ATOM 566 C GLY A 121 8.337 13.687 1.865 1.00 0.00 C ATOM 567 O GLY A 121 8.422 12.507 2.205 1.00 0.00 O ATOM 0 H GLY A 121 9.584 12.202 0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 121 9.923 14.816 0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 121 8.427 14.838 0.063 1.00 0.00 H new ATOM 571 N LYS A 122 7.602 14.577 2.523 1.00 0.00 N ATOM 572 CA LYS A 122 6.835 14.211 3.708 1.00 0.00 C ATOM 573 C LYS A 122 5.540 13.504 3.320 1.00 0.00 C ATOM 574 O LYS A 122 4.800 13.975 2.455 1.00 0.00 O ATOM 575 CB LYS A 122 6.520 15.455 4.541 1.00 0.00 C ATOM 576 CG LYS A 122 5.828 15.146 5.857 1.00 0.00 C ATOM 577 CD LYS A 122 6.035 16.259 6.871 1.00 0.00 C ATOM 578 CE LYS A 122 5.273 15.989 8.159 1.00 0.00 C ATOM 579 NZ LYS A 122 5.362 17.134 9.107 1.00 0.00 N ATOM 0 H LYS A 122 7.521 15.558 2.255 1.00 0.00 H new ATOM 0 HA LYS A 122 7.438 13.526 4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 122 7.448 15.990 4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.888 16.123 3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.761 15.004 5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.213 14.209 6.260 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.098 16.360 7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.706 17.207 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.227 15.790 7.927 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.670 15.092 8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 4.830 16.911 9.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.358 17.308 9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.960 17.984 8.663 1.00 0.00 H new ATOM 593 N ILE A 123 5.271 12.375 3.966 1.00 0.00 N ATOM 594 CA ILE A 123 4.064 11.606 3.690 1.00 0.00 C ATOM 595 C ILE A 123 3.030 11.791 4.796 1.00 0.00 C ATOM 596 O ILE A 123 3.240 11.368 5.933 1.00 0.00 O ATOM 597 CB ILE A 123 4.375 10.105 3.539 1.00 0.00 C ATOM 598 CG1 ILE A 123 5.363 9.880 2.393 1.00 0.00 C ATOM 599 CG2 ILE A 123 3.093 9.320 3.302 1.00 0.00 C ATOM 600 CD1 ILE A 123 6.021 8.518 2.422 1.00 0.00 C ATOM 0 H ILE A 123 5.873 11.972 4.684 1.00 0.00 H new ATOM 0 HA ILE A 123 3.659 11.981 2.750 1.00 0.00 H new ATOM 0 HB ILE A 123 4.831 9.748 4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.841 10.002 1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 123 6.135 10.649 2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 123 3.329 8.261 3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.419 9.460 4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 123 2.611 9.676 2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.708 8.428 1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.572 8.400 3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.257 7.743 2.351 1.00 0.00 H new ATOM 612 N SER A 124 1.912 12.423 4.453 1.00 0.00 N ATOM 613 CA SER A 124 0.845 12.666 5.417 1.00 0.00 C ATOM 614 C SER A 124 0.000 11.412 5.619 1.00 0.00 C ATOM 615 O SER A 124 -0.518 11.168 6.709 1.00 0.00 O ATOM 616 CB SER A 124 -0.041 13.822 4.949 1.00 0.00 C ATOM 617 OG SER A 124 -0.720 14.419 6.040 1.00 0.00 O ATOM 0 H SER A 124 1.722 12.776 3.515 1.00 0.00 H new ATOM 0 HA SER A 124 1.303 12.932 6.370 1.00 0.00 H new ATOM 0 HB2 SER A 124 0.569 14.570 4.443 1.00 0.00 H new ATOM 0 HB3 SER A 124 -0.766 13.457 4.221 1.00 0.00 H new ATOM 0 HG SER A 124 -0.178 15.151 6.401 1.00 0.00 H new ATOM 623 N ASP A 125 -0.135 10.620 4.561 1.00 0.00 N ATOM 624 CA ASP A 125 -0.916 9.390 4.621 1.00 0.00 C ATOM 625 C ASP A 125 -0.402 8.371 3.609 1.00 0.00 C ATOM 626 O ASP A 125 0.012 8.730 2.507 1.00 0.00 O ATOM 627 CB ASP A 125 -2.394 9.687 4.360 1.00 0.00 C ATOM 628 CG ASP A 125 -3.297 8.550 4.794 1.00 0.00 C ATOM 629 OD1 ASP A 125 -3.641 8.489 5.994 1.00 0.00 O ATOM 630 OD2 ASP A 125 -3.662 7.720 3.935 1.00 0.00 O ATOM 0 H ASP A 125 0.286 10.808 3.651 1.00 0.00 H new ATOM 0 HA ASP A 125 -0.809 8.968 5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -2.678 10.596 4.890 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -2.541 9.879 3.297 1.00 0.00 H new ATOM 635 N ALA A 126 -0.431 7.099 3.991 1.00 0.00 N ATOM 636 CA ALA A 126 0.030 6.027 3.118 1.00 0.00 C ATOM 637 C ALA A 126 -0.262 4.659 3.725 1.00 0.00 C ATOM 638 O ALA A 126 0.017 4.418 4.899 1.00 0.00 O ATOM 639 CB ALA A 126 1.519 6.177 2.840 1.00 0.00 C ATOM 0 H ALA A 126 -0.769 6.785 4.901 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.514 6.100 2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 126 1.850 5.370 2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.704 7.135 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 126 2.071 6.133 3.779 1.00 0.00 H new ATOM 645 N ARG A 127 -0.827 3.767 2.917 1.00 0.00 N ATOM 646 CA ARG A 127 -1.159 2.424 3.376 1.00 0.00 C ATOM 647 C ARG A 127 -1.130 1.431 2.218 1.00 0.00 C ATOM 648 O ARG A 127 -1.133 1.822 1.051 1.00 0.00 O ATOM 649 CB ARG A 127 -2.539 2.414 4.037 1.00 0.00 C ATOM 650 CG ARG A 127 -3.686 2.289 3.048 1.00 0.00 C ATOM 651 CD ARG A 127 -5.004 2.013 3.755 1.00 0.00 C ATOM 652 NE ARG A 127 -5.234 0.584 3.945 1.00 0.00 N ATOM 653 CZ ARG A 127 -6.275 0.088 4.605 1.00 0.00 C ATOM 654 NH1 ARG A 127 -7.177 0.902 5.134 1.00 0.00 N ATOM 655 NH2 ARG A 127 -6.415 -1.225 4.735 1.00 0.00 N ATOM 0 H ARG A 127 -1.064 3.950 1.942 1.00 0.00 H new ATOM 0 HA ARG A 127 -0.411 2.122 4.109 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -2.588 1.586 4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -2.664 3.332 4.612 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -3.769 3.208 2.467 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -3.474 1.485 2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -5.007 2.513 4.724 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -5.823 2.438 3.174 1.00 0.00 H new ATOM 0 HE ARG A 127 -4.558 -0.070 3.549 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -7.073 1.912 5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -7.975 0.519 5.640 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -5.723 -1.854 4.328 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -7.214 -1.605 5.242 1.00 0.00 H new ATOM 669 N VAL A 128 -1.102 0.144 2.549 1.00 0.00 N ATOM 670 CA VAL A 128 -1.073 -0.905 1.537 1.00 0.00 C ATOM 671 C VAL A 128 -2.348 -1.741 1.575 1.00 0.00 C ATOM 672 O VAL A 128 -2.499 -2.623 2.421 1.00 0.00 O ATOM 673 CB VAL A 128 0.142 -1.833 1.724 1.00 0.00 C ATOM 674 CG1 VAL A 128 0.141 -2.439 3.119 1.00 0.00 C ATOM 675 CG2 VAL A 128 0.150 -2.921 0.661 1.00 0.00 C ATOM 0 H VAL A 128 -1.099 -0.197 3.510 1.00 0.00 H new ATOM 0 HA VAL A 128 -0.996 -0.409 0.570 1.00 0.00 H new ATOM 0 HB VAL A 128 1.050 -1.241 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.007 -3.092 3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 128 0.187 -1.643 3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -0.771 -3.018 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.015 -3.567 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -0.762 -3.512 0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 128 0.203 -2.464 -0.327 1.00 0.00 H new ATOM 685 N VAL A 129 -3.263 -1.458 0.653 1.00 0.00 N ATOM 686 CA VAL A 129 -4.525 -2.184 0.580 1.00 0.00 C ATOM 687 C VAL A 129 -4.290 -3.690 0.523 1.00 0.00 C ATOM 688 O VAL A 129 -3.599 -4.188 -0.365 1.00 0.00 O ATOM 689 CB VAL A 129 -5.348 -1.757 -0.649 1.00 0.00 C ATOM 690 CG1 VAL A 129 -6.664 -2.519 -0.702 1.00 0.00 C ATOM 691 CG2 VAL A 129 -5.591 -0.256 -0.632 1.00 0.00 C ATOM 0 H VAL A 129 -3.153 -0.731 -0.054 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.083 -1.940 1.484 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.780 -1.999 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.232 -2.204 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.463 -3.588 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -7.241 -2.311 0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -6.174 0.028 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.138 0.014 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -4.635 0.268 -0.647 1.00 0.00 H new ATOM 701 N LYS A 130 -4.870 -4.410 1.477 1.00 0.00 N ATOM 702 CA LYS A 130 -4.726 -5.860 1.536 1.00 0.00 C ATOM 703 C LYS A 130 -6.087 -6.545 1.457 1.00 0.00 C ATOM 704 O LYS A 130 -7.121 -5.923 1.701 1.00 0.00 O ATOM 705 CB LYS A 130 -4.011 -6.270 2.825 1.00 0.00 C ATOM 706 CG LYS A 130 -2.496 -6.251 2.713 1.00 0.00 C ATOM 707 CD LYS A 130 -1.835 -6.389 4.074 1.00 0.00 C ATOM 708 CE LYS A 130 -0.319 -6.429 3.955 1.00 0.00 C ATOM 709 NZ LYS A 130 0.342 -6.442 5.290 1.00 0.00 N ATOM 0 H LYS A 130 -5.445 -4.013 2.220 1.00 0.00 H new ATOM 0 HA LYS A 130 -4.129 -6.176 0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -4.316 -5.600 3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.334 -7.272 3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -2.168 -7.063 2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -2.176 -5.320 2.245 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -2.129 -5.554 4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -2.187 -7.299 4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -0.022 -7.315 3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 130 0.024 -5.563 3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 1.374 -6.469 5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 0.079 -5.584 5.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 0.035 -7.282 5.821 1.00 0.00 H new ATOM 723 N ASP A 131 -6.078 -7.829 1.116 1.00 0.00 N ATOM 724 CA ASP A 131 -7.312 -8.599 1.007 1.00 0.00 C ATOM 725 C ASP A 131 -7.911 -8.862 2.385 1.00 0.00 C ATOM 726 O ASP A 131 -7.213 -8.808 3.397 1.00 0.00 O ATOM 727 CB ASP A 131 -7.049 -9.924 0.290 1.00 0.00 C ATOM 728 CG ASP A 131 -8.327 -10.599 -0.167 1.00 0.00 C ATOM 729 OD1 ASP A 131 -9.210 -9.896 -0.704 1.00 0.00 O ATOM 730 OD2 ASP A 131 -8.445 -11.829 0.011 1.00 0.00 O ATOM 0 H ASP A 131 -5.231 -8.358 0.910 1.00 0.00 H new ATOM 0 HA ASP A 131 -8.026 -8.016 0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -6.407 -9.746 -0.573 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -6.507 -10.594 0.958 1.00 0.00 H new ATOM 735 N MET A 132 -9.209 -9.146 2.415 1.00 0.00 N ATOM 736 CA MET A 132 -9.902 -9.417 3.669 1.00 0.00 C ATOM 737 C MET A 132 -9.986 -10.918 3.931 1.00 0.00 C ATOM 738 O MET A 132 -10.265 -11.348 5.049 1.00 0.00 O ATOM 739 CB MET A 132 -11.308 -8.814 3.641 1.00 0.00 C ATOM 740 CG MET A 132 -11.319 -7.308 3.436 1.00 0.00 C ATOM 741 SD MET A 132 -11.155 -6.842 1.701 1.00 0.00 S ATOM 742 CE MET A 132 -12.683 -5.943 1.446 1.00 0.00 C ATOM 0 H MET A 132 -9.802 -9.194 1.586 1.00 0.00 H new ATOM 0 HA MET A 132 -9.332 -8.956 4.476 1.00 0.00 H new ATOM 0 HB2 MET A 132 -11.881 -9.285 2.842 1.00 0.00 H new ATOM 0 HB3 MET A 132 -11.814 -9.049 4.578 1.00 0.00 H new ATOM 0 HG2 MET A 132 -12.248 -6.898 3.832 1.00 0.00 H new ATOM 0 HG3 MET A 132 -10.505 -6.862 4.007 1.00 0.00 H new ATOM 0 HE1 MET A 132 -12.730 -5.589 0.416 1.00 0.00 H new ATOM 0 HE2 MET A 132 -13.529 -6.601 1.642 1.00 0.00 H new ATOM 0 HE3 MET A 132 -12.721 -5.091 2.124 1.00 0.00 H new ATOM 752 N ALA A 133 -9.742 -11.710 2.891 1.00 0.00 N ATOM 753 CA ALA A 133 -9.788 -13.162 3.010 1.00 0.00 C ATOM 754 C ALA A 133 -8.401 -13.735 3.279 1.00 0.00 C ATOM 755 O ALA A 133 -8.171 -14.375 4.306 1.00 0.00 O ATOM 756 CB ALA A 133 -10.379 -13.775 1.749 1.00 0.00 C ATOM 0 H ALA A 133 -9.511 -11.370 1.958 1.00 0.00 H new ATOM 0 HA ALA A 133 -10.426 -13.413 3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -10.408 -14.860 1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -11.391 -13.398 1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -9.762 -13.507 0.891 1.00 0.00 H new ATOM 762 N THR A 134 -7.479 -13.502 2.351 1.00 0.00 N ATOM 763 CA THR A 134 -6.115 -13.996 2.487 1.00 0.00 C ATOM 764 C THR A 134 -5.273 -13.058 3.344 1.00 0.00 C ATOM 765 O THR A 134 -4.356 -13.491 4.040 1.00 0.00 O ATOM 766 CB THR A 134 -5.438 -14.166 1.114 1.00 0.00 C ATOM 767 OG1 THR A 134 -5.064 -12.886 0.591 1.00 0.00 O ATOM 768 CG2 THR A 134 -6.368 -14.866 0.135 1.00 0.00 C ATOM 0 H THR A 134 -7.652 -12.974 1.496 1.00 0.00 H new ATOM 0 HA THR A 134 -6.179 -14.969 2.974 1.00 0.00 H new ATOM 0 HB THR A 134 -4.547 -14.779 1.246 1.00 0.00 H new ATOM 0 HG1 THR A 134 -4.633 -13.002 -0.281 1.00 0.00 H new ATOM 0 HG21 THR A 134 -5.868 -14.975 -0.827 1.00 0.00 H new ATOM 0 HG22 THR A 134 -6.629 -15.851 0.522 1.00 0.00 H new ATOM 0 HG23 THR A 134 -7.275 -14.274 0.008 1.00 0.00 H new ATOM 776 N GLY A 135 -5.591 -11.768 3.288 1.00 0.00 N ATOM 777 CA GLY A 135 -4.854 -10.788 4.064 1.00 0.00 C ATOM 778 C GLY A 135 -3.510 -10.453 3.448 1.00 0.00 C ATOM 779 O GLY A 135 -2.583 -10.041 4.147 1.00 0.00 O ATOM 0 H GLY A 135 -6.346 -11.384 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -5.447 -9.878 4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -4.703 -11.168 5.074 1.00 0.00 H new ATOM 783 N LYS A 136 -3.401 -10.630 2.136 1.00 0.00 N ATOM 784 CA LYS A 136 -2.160 -10.345 1.425 1.00 0.00 C ATOM 785 C LYS A 136 -2.300 -9.089 0.571 1.00 0.00 C ATOM 786 O LYS A 136 -3.364 -8.822 0.012 1.00 0.00 O ATOM 787 CB LYS A 136 -1.769 -11.533 0.544 1.00 0.00 C ATOM 788 CG LYS A 136 -1.871 -12.874 1.250 1.00 0.00 C ATOM 789 CD LYS A 136 -0.705 -13.095 2.198 1.00 0.00 C ATOM 790 CE LYS A 136 -0.886 -14.364 3.017 1.00 0.00 C ATOM 791 NZ LYS A 136 -1.907 -14.193 4.088 1.00 0.00 N ATOM 0 H LYS A 136 -4.158 -10.970 1.543 1.00 0.00 H new ATOM 0 HA LYS A 136 -1.377 -10.176 2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -2.409 -11.547 -0.338 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -0.746 -11.393 0.193 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -2.807 -12.923 1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -1.897 -13.674 0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 136 0.222 -13.158 1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -0.611 -12.239 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -1.183 -15.181 2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 136 0.067 -14.646 3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -1.847 -14.989 4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -1.732 -13.302 4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -2.856 -14.169 3.663 1.00 0.00 H new ATOM 805 N SER A 137 -1.219 -8.322 0.473 1.00 0.00 N ATOM 806 CA SER A 137 -1.221 -7.093 -0.311 1.00 0.00 C ATOM 807 C SER A 137 -1.853 -7.324 -1.680 1.00 0.00 C ATOM 808 O SER A 137 -1.249 -7.937 -2.561 1.00 0.00 O ATOM 809 CB SER A 137 0.205 -6.565 -0.477 1.00 0.00 C ATOM 810 OG SER A 137 0.271 -5.586 -1.500 1.00 0.00 O ATOM 0 H SER A 137 -0.330 -8.530 0.927 1.00 0.00 H new ATOM 0 HA SER A 137 -1.814 -6.351 0.224 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.549 -6.136 0.464 1.00 0.00 H new ATOM 0 HB3 SER A 137 0.876 -7.390 -0.715 1.00 0.00 H new ATOM 0 HG SER A 137 1.192 -5.263 -1.585 1.00 0.00 H new ATOM 816 N LYS A 138 -3.074 -6.827 -1.853 1.00 0.00 N ATOM 817 CA LYS A 138 -3.790 -6.977 -3.114 1.00 0.00 C ATOM 818 C LYS A 138 -2.870 -6.695 -4.299 1.00 0.00 C ATOM 819 O LYS A 138 -2.954 -7.356 -5.333 1.00 0.00 O ATOM 820 CB LYS A 138 -4.995 -6.035 -3.155 1.00 0.00 C ATOM 821 CG LYS A 138 -6.166 -6.509 -2.313 1.00 0.00 C ATOM 822 CD LYS A 138 -7.478 -5.914 -2.797 1.00 0.00 C ATOM 823 CE LYS A 138 -8.646 -6.361 -1.931 1.00 0.00 C ATOM 824 NZ LYS A 138 -9.101 -7.736 -2.280 1.00 0.00 N ATOM 0 H LYS A 138 -3.588 -6.317 -1.135 1.00 0.00 H new ATOM 0 HA LYS A 138 -4.139 -8.007 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -4.686 -5.048 -2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -5.323 -5.923 -4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.224 -7.597 -2.348 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -6.002 -6.232 -1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -7.411 -4.826 -2.786 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -7.655 -6.212 -3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -8.352 -6.331 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -9.475 -5.663 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -10.124 -7.726 -2.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -8.598 -8.063 -3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -8.899 -8.380 -1.489 1.00 0.00 H new ATOM 838 N GLY A 139 -1.992 -5.710 -4.139 1.00 0.00 N ATOM 839 CA GLY A 139 -1.069 -5.360 -5.202 1.00 0.00 C ATOM 840 C GLY A 139 -1.094 -3.880 -5.528 1.00 0.00 C ATOM 841 O GLY A 139 -0.515 -3.446 -6.524 1.00 0.00 O ATOM 0 H GLY A 139 -1.904 -5.148 -3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -0.059 -5.648 -4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -1.318 -5.930 -6.097 1.00 0.00 H new ATOM 845 N TYR A 140 -1.769 -3.102 -4.689 1.00 0.00 N ATOM 846 CA TYR A 140 -1.872 -1.662 -4.895 1.00 0.00 C ATOM 847 C TYR A 140 -2.090 -0.937 -3.571 1.00 0.00 C ATOM 848 O TYR A 140 -2.633 -1.502 -2.622 1.00 0.00 O ATOM 849 CB TYR A 140 -3.016 -1.344 -5.858 1.00 0.00 C ATOM 850 CG TYR A 140 -4.388 -1.556 -5.259 1.00 0.00 C ATOM 851 CD1 TYR A 140 -4.906 -2.835 -5.095 1.00 0.00 C ATOM 852 CD2 TYR A 140 -5.167 -0.477 -4.859 1.00 0.00 C ATOM 853 CE1 TYR A 140 -6.160 -3.033 -4.549 1.00 0.00 C ATOM 854 CE2 TYR A 140 -6.421 -0.666 -4.310 1.00 0.00 C ATOM 855 CZ TYR A 140 -6.913 -1.946 -4.158 1.00 0.00 C ATOM 856 OH TYR A 140 -8.162 -2.138 -3.613 1.00 0.00 O ATOM 0 H TYR A 140 -2.253 -3.445 -3.859 1.00 0.00 H new ATOM 0 HA TYR A 140 -0.934 -1.315 -5.329 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.927 -0.308 -6.185 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -2.916 -1.968 -6.746 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -4.319 -3.689 -5.399 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -4.786 0.526 -4.979 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -6.548 -4.034 -4.429 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -7.013 0.183 -4.002 1.00 0.00 H new ATOM 0 HH TYR A 140 -8.559 -1.270 -3.390 1.00 0.00 H new ATOM 866 N GLY A 141 -1.662 0.321 -3.515 1.00 0.00 N ATOM 867 CA GLY A 141 -1.820 1.105 -2.304 1.00 0.00 C ATOM 868 C GLY A 141 -2.019 2.580 -2.590 1.00 0.00 C ATOM 869 O GLY A 141 -2.187 2.979 -3.743 1.00 0.00 O ATOM 0 H GLY A 141 -1.209 0.811 -4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -2.674 0.729 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -0.940 0.976 -1.674 1.00 0.00 H new ATOM 873 N PHE A 142 -2.002 3.393 -1.539 1.00 0.00 N ATOM 874 CA PHE A 142 -2.185 4.832 -1.682 1.00 0.00 C ATOM 875 C PHE A 142 -1.103 5.596 -0.923 1.00 0.00 C ATOM 876 O PHE A 142 -0.693 5.196 0.166 1.00 0.00 O ATOM 877 CB PHE A 142 -3.568 5.245 -1.175 1.00 0.00 C ATOM 878 CG PHE A 142 -4.697 4.556 -1.886 1.00 0.00 C ATOM 879 CD1 PHE A 142 -5.189 5.056 -3.081 1.00 0.00 C ATOM 880 CD2 PHE A 142 -5.267 3.408 -1.360 1.00 0.00 C ATOM 881 CE1 PHE A 142 -6.228 4.425 -3.737 1.00 0.00 C ATOM 882 CE2 PHE A 142 -6.307 2.772 -2.012 1.00 0.00 C ATOM 883 CZ PHE A 142 -6.787 3.280 -3.202 1.00 0.00 C ATOM 0 H PHE A 142 -1.863 3.079 -0.578 1.00 0.00 H new ATOM 0 HA PHE A 142 -2.105 5.080 -2.741 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -3.635 5.029 -0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -3.681 6.323 -1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -4.755 5.950 -3.505 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -4.895 3.005 -0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -6.603 4.826 -4.667 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -6.743 1.879 -1.591 1.00 0.00 H new ATOM 0 HZ PHE A 142 -7.598 2.784 -3.714 1.00 0.00 H new ATOM 893 N VAL A 143 -0.646 6.699 -1.508 1.00 0.00 N ATOM 894 CA VAL A 143 0.387 7.521 -0.888 1.00 0.00 C ATOM 895 C VAL A 143 0.109 9.005 -1.098 1.00 0.00 C ATOM 896 O VAL A 143 0.295 9.532 -2.194 1.00 0.00 O ATOM 897 CB VAL A 143 1.782 7.186 -1.449 1.00 0.00 C ATOM 898 CG1 VAL A 143 2.776 8.283 -1.098 1.00 0.00 C ATOM 899 CG2 VAL A 143 2.257 5.838 -0.928 1.00 0.00 C ATOM 0 H VAL A 143 -0.975 7.044 -2.410 1.00 0.00 H new ATOM 0 HA VAL A 143 0.370 7.299 0.179 1.00 0.00 H new ATOM 0 HB VAL A 143 1.712 7.125 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 143 3.756 8.029 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 143 2.441 9.228 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 143 2.845 8.379 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 143 3.244 5.618 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 143 2.311 5.867 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 143 1.556 5.062 -1.236 1.00 0.00 H new ATOM 909 N SER A 144 -0.337 9.673 -0.039 1.00 0.00 N ATOM 910 CA SER A 144 -0.644 11.097 -0.108 1.00 0.00 C ATOM 911 C SER A 144 0.607 11.935 0.135 1.00 0.00 C ATOM 912 O SER A 144 1.497 11.538 0.887 1.00 0.00 O ATOM 913 CB SER A 144 -1.722 11.458 0.916 1.00 0.00 C ATOM 914 OG SER A 144 -2.858 10.624 0.777 1.00 0.00 O ATOM 0 H SER A 144 -0.494 9.251 0.876 1.00 0.00 H new ATOM 0 HA SER A 144 -1.017 11.315 -1.109 1.00 0.00 H new ATOM 0 HB2 SER A 144 -1.318 11.362 1.924 1.00 0.00 H new ATOM 0 HB3 SER A 144 -2.015 12.500 0.788 1.00 0.00 H new ATOM 0 HG SER A 144 -3.509 11.054 0.184 1.00 0.00 H new ATOM 920 N PHE A 145 0.667 13.098 -0.506 1.00 0.00 N ATOM 921 CA PHE A 145 1.809 13.993 -0.361 1.00 0.00 C ATOM 922 C PHE A 145 1.350 15.408 -0.020 1.00 0.00 C ATOM 923 O PHE A 145 0.485 15.970 -0.690 1.00 0.00 O ATOM 924 CB PHE A 145 2.638 14.009 -1.646 1.00 0.00 C ATOM 925 CG PHE A 145 3.722 12.970 -1.673 1.00 0.00 C ATOM 926 CD1 PHE A 145 4.940 13.205 -1.056 1.00 0.00 C ATOM 927 CD2 PHE A 145 3.524 11.759 -2.317 1.00 0.00 C ATOM 928 CE1 PHE A 145 5.940 12.251 -1.079 1.00 0.00 C ATOM 929 CE2 PHE A 145 4.520 10.801 -2.342 1.00 0.00 C ATOM 930 CZ PHE A 145 5.730 11.048 -1.724 1.00 0.00 C ATOM 0 H PHE A 145 -0.062 13.442 -1.131 1.00 0.00 H new ATOM 0 HA PHE A 145 2.428 13.623 0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 145 1.976 13.854 -2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 145 3.087 14.995 -1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 145 5.110 14.144 -0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 145 2.581 11.562 -2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 145 6.885 12.446 -0.593 1.00 0.00 H new ATOM 0 HE2 PHE A 145 4.352 9.860 -2.845 1.00 0.00 H new ATOM 0 HZ PHE A 145 6.511 10.302 -1.745 1.00 0.00 H new ATOM 940 N TYR A 146 1.937 15.977 1.028 1.00 0.00 N ATOM 941 CA TYR A 146 1.588 17.325 1.460 1.00 0.00 C ATOM 942 C TYR A 146 1.470 18.267 0.266 1.00 0.00 C ATOM 943 O TYR A 146 0.508 19.026 0.153 1.00 0.00 O ATOM 944 CB TYR A 146 2.635 17.855 2.441 1.00 0.00 C ATOM 945 CG TYR A 146 2.376 17.457 3.877 1.00 0.00 C ATOM 946 CD1 TYR A 146 2.734 16.198 4.344 1.00 0.00 C ATOM 947 CD2 TYR A 146 1.774 18.339 4.766 1.00 0.00 C ATOM 948 CE1 TYR A 146 2.499 15.830 5.655 1.00 0.00 C ATOM 949 CE2 TYR A 146 1.537 17.980 6.078 1.00 0.00 C ATOM 950 CZ TYR A 146 1.901 16.724 6.518 1.00 0.00 C ATOM 951 OH TYR A 146 1.665 16.362 7.824 1.00 0.00 O ATOM 0 H TYR A 146 2.656 15.526 1.593 1.00 0.00 H new ATOM 0 HA TYR A 146 0.621 17.280 1.960 1.00 0.00 H new ATOM 0 HB2 TYR A 146 3.618 17.489 2.143 1.00 0.00 H new ATOM 0 HB3 TYR A 146 2.666 18.943 2.374 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.204 15.496 3.671 1.00 0.00 H new ATOM 0 HD2 TYR A 146 1.486 19.323 4.425 1.00 0.00 H new ATOM 0 HE1 TYR A 146 2.782 14.847 6.002 1.00 0.00 H new ATOM 0 HE2 TYR A 146 1.069 18.678 6.756 1.00 0.00 H new ATOM 0 HH TYR A 146 1.239 17.106 8.298 1.00 0.00 H new ATOM 961 N ASN A 147 2.456 18.211 -0.623 1.00 0.00 N ATOM 962 CA ASN A 147 2.464 19.059 -1.810 1.00 0.00 C ATOM 963 C ASN A 147 2.331 18.220 -3.078 1.00 0.00 C ATOM 964 O ASN A 147 2.215 16.996 -3.017 1.00 0.00 O ATOM 965 CB ASN A 147 3.750 19.885 -1.863 1.00 0.00 C ATOM 966 CG ASN A 147 3.615 21.213 -1.144 1.00 0.00 C ATOM 967 OD1 ASN A 147 2.655 21.953 -1.360 1.00 0.00 O ATOM 968 ND2 ASN A 147 4.578 21.521 -0.283 1.00 0.00 N ATOM 0 H ASN A 147 3.260 17.588 -0.544 1.00 0.00 H new ATOM 0 HA ASN A 147 1.610 19.734 -1.751 1.00 0.00 H new ATOM 0 HB2 ASN A 147 4.564 19.314 -1.416 1.00 0.00 H new ATOM 0 HB3 ASN A 147 4.021 20.064 -2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 147 4.540 22.401 0.231 1.00 0.00 H new ATOM 0 HD22 ASN A 147 5.355 20.877 -0.135 1.00 0.00 H new ATOM 975 N LYS A 148 2.350 18.888 -4.227 1.00 0.00 N ATOM 976 CA LYS A 148 2.234 18.207 -5.510 1.00 0.00 C ATOM 977 C LYS A 148 3.602 17.753 -6.011 1.00 0.00 C ATOM 978 O LYS A 148 3.777 16.600 -6.409 1.00 0.00 O ATOM 979 CB LYS A 148 1.582 19.129 -6.543 1.00 0.00 C ATOM 980 CG LYS A 148 1.760 18.659 -7.977 1.00 0.00 C ATOM 981 CD LYS A 148 0.693 19.238 -8.890 1.00 0.00 C ATOM 982 CE LYS A 148 0.560 18.431 -10.173 1.00 0.00 C ATOM 983 NZ LYS A 148 1.612 18.789 -11.164 1.00 0.00 N ATOM 0 H LYS A 148 2.445 19.901 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 148 1.607 17.327 -5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 148 0.517 19.209 -6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 148 2.004 20.129 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 148 2.746 18.952 -8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 148 1.718 17.570 -8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -0.264 19.255 -8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 148 0.942 20.271 -9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 148 0.625 17.368 -9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -0.424 18.602 -10.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 1.487 18.218 -12.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 1.534 19.798 -11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 2.551 18.602 -10.757 1.00 0.00 H new ATOM 997 N LEU A 149 4.568 18.664 -5.986 1.00 0.00 N ATOM 998 CA LEU A 149 5.921 18.356 -6.436 1.00 0.00 C ATOM 999 C LEU A 149 6.434 17.076 -5.784 1.00 0.00 C ATOM 1000 O LEU A 149 6.672 16.075 -6.461 1.00 0.00 O ATOM 1001 CB LEU A 149 6.863 19.518 -6.115 1.00 0.00 C ATOM 1002 CG LEU A 149 8.274 19.418 -6.695 1.00 0.00 C ATOM 1003 CD1 LEU A 149 8.239 19.552 -8.209 1.00 0.00 C ATOM 1004 CD2 LEU A 149 9.178 20.479 -6.084 1.00 0.00 C ATOM 0 H LEU A 149 4.440 19.622 -5.659 1.00 0.00 H new ATOM 0 HA LEU A 149 5.893 18.206 -7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.407 20.440 -6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 149 6.943 19.606 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 149 8.680 18.437 -6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 149 9.252 19.478 -8.604 1.00 0.00 H new ATOM 0 HD12 LEU A 149 7.626 18.755 -8.631 1.00 0.00 H new ATOM 0 HD13 LEU A 149 7.814 20.519 -8.479 1.00 0.00 H new ATOM 0 HD21 LEU A 149 10.178 20.393 -6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 149 8.776 21.469 -6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 149 9.228 20.336 -5.005 1.00 0.00 H new ATOM 1016 N ASP A 150 6.599 17.114 -4.467 1.00 0.00 N ATOM 1017 CA ASP A 150 7.080 15.956 -3.723 1.00 0.00 C ATOM 1018 C ASP A 150 6.464 14.669 -4.262 1.00 0.00 C ATOM 1019 O ASP A 150 7.173 13.713 -4.574 1.00 0.00 O ATOM 1020 CB ASP A 150 6.755 16.107 -2.236 1.00 0.00 C ATOM 1021 CG ASP A 150 5.296 16.440 -1.993 1.00 0.00 C ATOM 1022 OD1 ASP A 150 4.607 16.828 -2.960 1.00 0.00 O ATOM 1023 OD2 ASP A 150 4.842 16.310 -0.837 1.00 0.00 O ATOM 0 H ASP A 150 6.407 17.934 -3.892 1.00 0.00 H new ATOM 0 HA ASP A 150 8.161 15.900 -3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 150 7.005 15.182 -1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 150 7.380 16.891 -1.808 1.00 0.00 H new ATOM 1028 N ALA A 151 5.139 14.653 -4.369 1.00 0.00 N ATOM 1029 CA ALA A 151 4.427 13.484 -4.872 1.00 0.00 C ATOM 1030 C ALA A 151 4.858 13.150 -6.296 1.00 0.00 C ATOM 1031 O ALA A 151 5.334 12.048 -6.567 1.00 0.00 O ATOM 1032 CB ALA A 151 2.925 13.716 -4.813 1.00 0.00 C ATOM 0 H ALA A 151 4.537 15.436 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 151 4.677 12.635 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 151 2.406 12.836 -5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 151 2.625 13.898 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 151 2.666 14.581 -5.424 1.00 0.00 H new ATOM 1038 N GLU A 152 4.687 14.108 -7.201 1.00 0.00 N ATOM 1039 CA GLU A 152 5.057 13.913 -8.598 1.00 0.00 C ATOM 1040 C GLU A 152 6.414 13.223 -8.710 1.00 0.00 C ATOM 1041 O GLU A 152 6.575 12.267 -9.467 1.00 0.00 O ATOM 1042 CB GLU A 152 5.092 15.255 -9.332 1.00 0.00 C ATOM 1043 CG GLU A 152 4.740 15.152 -10.806 1.00 0.00 C ATOM 1044 CD GLU A 152 5.954 14.912 -11.681 1.00 0.00 C ATOM 1045 OE1 GLU A 152 7.054 15.370 -11.307 1.00 0.00 O ATOM 1046 OE2 GLU A 152 5.805 14.266 -12.740 1.00 0.00 O ATOM 0 H GLU A 152 4.295 15.026 -6.992 1.00 0.00 H new ATOM 0 HA GLU A 152 4.305 13.274 -9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 152 4.398 15.942 -8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 152 6.088 15.687 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 152 4.027 14.340 -10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 152 4.245 16.070 -11.122 1.00 0.00 H new ATOM 1053 N ASN A 153 7.387 13.718 -7.951 1.00 0.00 N ATOM 1054 CA ASN A 153 8.730 13.151 -7.966 1.00 0.00 C ATOM 1055 C ASN A 153 8.679 11.627 -7.902 1.00 0.00 C ATOM 1056 O ASN A 153 9.303 10.941 -8.711 1.00 0.00 O ATOM 1057 CB ASN A 153 9.548 13.694 -6.792 1.00 0.00 C ATOM 1058 CG ASN A 153 10.087 15.086 -7.058 1.00 0.00 C ATOM 1059 OD1 ASN A 153 10.181 15.518 -8.207 1.00 0.00 O ATOM 1060 ND2 ASN A 153 10.445 15.795 -5.994 1.00 0.00 N ATOM 0 H ASN A 153 7.270 14.510 -7.319 1.00 0.00 H new ATOM 0 HA ASN A 153 9.209 13.442 -8.901 1.00 0.00 H new ATOM 0 HB2 ASN A 153 8.926 13.713 -5.897 1.00 0.00 H new ATOM 0 HB3 ASN A 153 10.379 13.018 -6.588 1.00 0.00 H new ATOM 0 HD21 ASN A 153 10.815 16.738 -6.111 1.00 0.00 H new ATOM 0 HD22 ASN A 153 10.350 15.396 -5.060 1.00 0.00 H new ATOM 1067 N ALA A 154 7.930 11.106 -6.936 1.00 0.00 N ATOM 1068 CA ALA A 154 7.795 9.664 -6.769 1.00 0.00 C ATOM 1069 C ALA A 154 7.162 9.026 -8.000 1.00 0.00 C ATOM 1070 O ALA A 154 7.700 8.071 -8.562 1.00 0.00 O ATOM 1071 CB ALA A 154 6.971 9.352 -5.528 1.00 0.00 C ATOM 0 H ALA A 154 7.408 11.660 -6.258 1.00 0.00 H new ATOM 0 HA ALA A 154 8.792 9.242 -6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 154 6.878 8.272 -5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 154 7.465 9.767 -4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 154 5.979 9.793 -5.629 1.00 0.00 H new ATOM 1077 N ILE A 155 6.017 9.558 -8.415 1.00 0.00 N ATOM 1078 CA ILE A 155 5.312 9.039 -9.581 1.00 0.00 C ATOM 1079 C ILE A 155 6.276 8.766 -10.730 1.00 0.00 C ATOM 1080 O ILE A 155 6.145 7.770 -11.441 1.00 0.00 O ATOM 1081 CB ILE A 155 4.223 10.017 -10.061 1.00 0.00 C ATOM 1082 CG1 ILE A 155 3.087 10.091 -9.038 1.00 0.00 C ATOM 1083 CG2 ILE A 155 3.691 9.591 -11.421 1.00 0.00 C ATOM 1084 CD1 ILE A 155 2.130 11.237 -9.280 1.00 0.00 C ATOM 0 H ILE A 155 5.558 10.348 -7.961 1.00 0.00 H new ATOM 0 HA ILE A 155 4.841 8.105 -9.275 1.00 0.00 H new ATOM 0 HB ILE A 155 4.664 11.009 -10.159 1.00 0.00 H new ATOM 0 HG12 ILE A 155 2.531 9.154 -9.056 1.00 0.00 H new ATOM 0 HG13 ILE A 155 3.514 10.189 -8.040 1.00 0.00 H new ATOM 0 HG21 ILE A 155 2.922 10.292 -11.747 1.00 0.00 H new ATOM 0 HG22 ILE A 155 4.506 9.584 -12.145 1.00 0.00 H new ATOM 0 HG23 ILE A 155 3.263 8.591 -11.347 1.00 0.00 H new ATOM 0 HD11 ILE A 155 1.351 11.228 -8.518 1.00 0.00 H new ATOM 0 HD12 ILE A 155 2.673 12.181 -9.232 1.00 0.00 H new ATOM 0 HD13 ILE A 155 1.675 11.129 -10.265 1.00 0.00 H new ATOM 1096 N VAL A 156 7.247 9.657 -10.905 1.00 0.00 N ATOM 1097 CA VAL A 156 8.236 9.511 -11.966 1.00 0.00 C ATOM 1098 C VAL A 156 9.287 8.470 -11.598 1.00 0.00 C ATOM 1099 O VAL A 156 9.603 7.584 -12.393 1.00 0.00 O ATOM 1100 CB VAL A 156 8.938 10.849 -12.267 1.00 0.00 C ATOM 1101 CG1 VAL A 156 10.011 10.662 -13.329 1.00 0.00 C ATOM 1102 CG2 VAL A 156 7.924 11.896 -12.701 1.00 0.00 C ATOM 0 H VAL A 156 7.370 10.487 -10.326 1.00 0.00 H new ATOM 0 HA VAL A 156 7.699 9.182 -12.856 1.00 0.00 H new ATOM 0 HB VAL A 156 9.421 11.200 -11.355 1.00 0.00 H new ATOM 0 HG11 VAL A 156 10.496 11.618 -13.529 1.00 0.00 H new ATOM 0 HG12 VAL A 156 10.752 9.946 -12.975 1.00 0.00 H new ATOM 0 HG13 VAL A 156 9.555 10.288 -14.246 1.00 0.00 H new ATOM 0 HG21 VAL A 156 8.437 12.835 -12.910 1.00 0.00 H new ATOM 0 HG22 VAL A 156 7.411 11.555 -13.600 1.00 0.00 H new ATOM 0 HG23 VAL A 156 7.196 12.050 -11.904 1.00 0.00 H new ATOM 1112 N HIS A 157 9.826 8.583 -10.388 1.00 0.00 N ATOM 1113 CA HIS A 157 10.842 7.650 -9.914 1.00 0.00 C ATOM 1114 C HIS A 157 10.228 6.286 -9.612 1.00 0.00 C ATOM 1115 O HIS A 157 10.537 5.295 -10.274 1.00 0.00 O ATOM 1116 CB HIS A 157 11.527 8.202 -8.663 1.00 0.00 C ATOM 1117 CG HIS A 157 12.569 9.236 -8.958 1.00 0.00 C ATOM 1118 ND1 HIS A 157 13.875 8.921 -9.268 1.00 0.00 N ATOM 1119 CD2 HIS A 157 12.491 10.587 -8.992 1.00 0.00 C ATOM 1120 CE1 HIS A 157 14.556 10.034 -9.477 1.00 0.00 C ATOM 1121 NE2 HIS A 157 13.739 11.059 -9.316 1.00 0.00 N ATOM 0 H HIS A 157 9.576 9.311 -9.718 1.00 0.00 H new ATOM 0 HA HIS A 157 11.585 7.528 -10.702 1.00 0.00 H new ATOM 0 HB2 HIS A 157 10.772 8.635 -8.007 1.00 0.00 H new ATOM 0 HB3 HIS A 157 11.988 7.378 -8.118 1.00 0.00 H new ATOM 0 HD2 HIS A 157 11.611 11.183 -8.800 1.00 0.00 H new ATOM 0 HE1 HIS A 157 15.603 10.095 -9.736 1.00 0.00 H new ATOM 0 HE2 HIS A 157 13.994 12.042 -9.416 1.00 0.00 H new ATOM 1130 N MET A 158 9.358 6.243 -8.608 1.00 0.00 N ATOM 1131 CA MET A 158 8.701 5.000 -8.220 1.00 0.00 C ATOM 1132 C MET A 158 8.237 4.223 -9.448 1.00 0.00 C ATOM 1133 O MET A 158 8.502 3.029 -9.575 1.00 0.00 O ATOM 1134 CB MET A 158 7.509 5.292 -7.307 1.00 0.00 C ATOM 1135 CG MET A 158 7.904 5.609 -5.873 1.00 0.00 C ATOM 1136 SD MET A 158 8.249 4.127 -4.905 1.00 0.00 S ATOM 1137 CE MET A 158 10.035 4.205 -4.791 1.00 0.00 C ATOM 0 H MET A 158 9.092 7.054 -8.049 1.00 0.00 H new ATOM 0 HA MET A 158 9.424 4.390 -7.678 1.00 0.00 H new ATOM 0 HB2 MET A 158 6.947 6.132 -7.715 1.00 0.00 H new ATOM 0 HB3 MET A 158 6.841 4.431 -7.309 1.00 0.00 H new ATOM 0 HG2 MET A 158 8.786 6.250 -5.876 1.00 0.00 H new ATOM 0 HG3 MET A 158 7.102 6.172 -5.395 1.00 0.00 H new ATOM 0 HE1 MET A 158 10.420 3.246 -4.445 1.00 0.00 H new ATOM 0 HE2 MET A 158 10.453 4.431 -5.772 1.00 0.00 H new ATOM 0 HE3 MET A 158 10.321 4.986 -4.087 1.00 0.00 H new ATOM 1147 N GLY A 159 7.542 4.910 -10.350 1.00 0.00 N ATOM 1148 CA GLY A 159 7.052 4.268 -11.556 1.00 0.00 C ATOM 1149 C GLY A 159 8.050 3.285 -12.135 1.00 0.00 C ATOM 1150 O GLY A 159 8.962 3.672 -12.864 1.00 0.00 O ATOM 0 H GLY A 159 7.310 5.900 -10.267 1.00 0.00 H new ATOM 0 HA2 GLY A 159 6.121 3.747 -11.334 1.00 0.00 H new ATOM 0 HA3 GLY A 159 6.822 5.029 -12.301 1.00 0.00 H new ATOM 1154 N GLY A 160 7.878 2.008 -11.809 1.00 0.00 N ATOM 1155 CA GLY A 160 8.779 0.986 -12.309 1.00 0.00 C ATOM 1156 C GLY A 160 9.926 0.709 -11.358 1.00 0.00 C ATOM 1157 O GLY A 160 10.438 -0.409 -11.302 1.00 0.00 O ATOM 0 H GLY A 160 7.130 1.663 -11.207 1.00 0.00 H new ATOM 0 HA2 GLY A 160 8.221 0.065 -12.478 1.00 0.00 H new ATOM 0 HA3 GLY A 160 9.178 1.299 -13.274 1.00 0.00 H new ATOM 1161 N GLN A 161 10.332 1.730 -10.610 1.00 0.00 N ATOM 1162 CA GLN A 161 11.429 1.590 -9.658 1.00 0.00 C ATOM 1163 C GLN A 161 11.352 0.252 -8.932 1.00 0.00 C ATOM 1164 O GLN A 161 10.276 -0.333 -8.799 1.00 0.00 O ATOM 1165 CB GLN A 161 11.401 2.736 -8.645 1.00 0.00 C ATOM 1166 CG GLN A 161 12.474 2.626 -7.574 1.00 0.00 C ATOM 1167 CD GLN A 161 13.866 2.890 -8.113 1.00 0.00 C ATOM 1168 OE1 GLN A 161 14.029 3.400 -9.222 1.00 0.00 O ATOM 1169 NE2 GLN A 161 14.881 2.544 -7.329 1.00 0.00 N ATOM 0 H GLN A 161 9.919 2.662 -10.644 1.00 0.00 H new ATOM 0 HA GLN A 161 12.366 1.627 -10.213 1.00 0.00 H new ATOM 0 HB2 GLN A 161 11.523 3.681 -9.174 1.00 0.00 H new ATOM 0 HB3 GLN A 161 10.422 2.763 -8.166 1.00 0.00 H new ATOM 0 HG2 GLN A 161 12.258 3.335 -6.774 1.00 0.00 H new ATOM 0 HG3 GLN A 161 12.442 1.629 -7.134 1.00 0.00 H new ATOM 0 HE21 GLN A 161 14.701 2.124 -6.417 1.00 0.00 H new ATOM 0 HE22 GLN A 161 15.840 2.698 -7.639 1.00 0.00 H new ATOM 1178 N TRP A 162 12.498 -0.228 -8.464 1.00 0.00 N ATOM 1179 CA TRP A 162 12.561 -1.499 -7.751 1.00 0.00 C ATOM 1180 C TRP A 162 12.587 -1.276 -6.243 1.00 0.00 C ATOM 1181 O TRP A 162 13.654 -1.125 -5.646 1.00 0.00 O ATOM 1182 CB TRP A 162 13.796 -2.290 -8.184 1.00 0.00 C ATOM 1183 CG TRP A 162 13.742 -2.741 -9.612 1.00 0.00 C ATOM 1184 CD1 TRP A 162 14.174 -2.049 -10.707 1.00 0.00 C ATOM 1185 CD2 TRP A 162 13.225 -3.984 -10.099 1.00 0.00 C ATOM 1186 NE1 TRP A 162 13.957 -2.786 -11.846 1.00 0.00 N ATOM 1187 CE2 TRP A 162 13.376 -3.978 -11.500 1.00 0.00 C ATOM 1188 CE3 TRP A 162 12.650 -5.102 -9.489 1.00 0.00 C ATOM 1189 CZ2 TRP A 162 12.972 -5.046 -12.297 1.00 0.00 C ATOM 1190 CZ3 TRP A 162 12.250 -6.161 -10.281 1.00 0.00 C ATOM 1191 CH2 TRP A 162 12.413 -6.128 -11.673 1.00 0.00 C ATOM 0 H TRP A 162 13.397 0.244 -8.565 1.00 0.00 H new ATOM 0 HA TRP A 162 11.667 -2.071 -7.999 1.00 0.00 H new ATOM 0 HB2 TRP A 162 14.683 -1.673 -8.039 1.00 0.00 H new ATOM 0 HB3 TRP A 162 13.905 -3.162 -7.539 1.00 0.00 H new ATOM 0 HD1 TRP A 162 14.621 -1.066 -10.681 1.00 0.00 H new ATOM 0 HE1 TRP A 162 14.190 -2.494 -12.795 1.00 0.00 H new ATOM 0 HE3 TRP A 162 12.521 -5.138 -8.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 13.095 -5.021 -13.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 11.804 -7.030 -9.820 1.00 0.00 H new ATOM 0 HH2 TRP A 162 12.091 -6.973 -12.264 1.00 0.00 H new ATOM 1202 N LEU A 163 11.408 -1.258 -5.631 1.00 0.00 N ATOM 1203 CA LEU A 163 11.297 -1.054 -4.191 1.00 0.00 C ATOM 1204 C LEU A 163 11.451 -2.373 -3.440 1.00 0.00 C ATOM 1205 O LEU A 163 12.477 -2.624 -2.810 1.00 0.00 O ATOM 1206 CB LEU A 163 9.950 -0.414 -3.849 1.00 0.00 C ATOM 1207 CG LEU A 163 9.749 -0.011 -2.388 1.00 0.00 C ATOM 1208 CD1 LEU A 163 8.492 0.831 -2.234 1.00 0.00 C ATOM 1209 CD2 LEU A 163 9.680 -1.244 -1.499 1.00 0.00 C ATOM 0 H LEU A 163 10.516 -1.382 -6.109 1.00 0.00 H new ATOM 0 HA LEU A 163 12.100 -0.385 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 163 9.824 0.473 -4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 163 9.159 -1.111 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 163 10.604 0.589 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 163 8.366 1.108 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 163 8.582 1.733 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 163 7.627 0.256 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 163 9.537 -0.938 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 163 8.845 -1.871 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 163 10.609 -1.808 -1.586 1.00 0.00 H new ATOM 1221 N GLY A 164 10.424 -3.214 -3.515 1.00 0.00 N ATOM 1222 CA GLY A 164 10.467 -4.498 -2.840 1.00 0.00 C ATOM 1223 C GLY A 164 10.354 -5.663 -3.803 1.00 0.00 C ATOM 1224 O GLY A 164 9.341 -5.821 -4.482 1.00 0.00 O ATOM 0 H GLY A 164 9.564 -3.029 -4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 164 11.400 -4.581 -2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 164 9.656 -4.551 -2.114 1.00 0.00 H new ATOM 1228 N GLY A 165 11.400 -6.482 -3.862 1.00 0.00 N ATOM 1229 CA GLY A 165 11.395 -7.628 -4.754 1.00 0.00 C ATOM 1230 C GLY A 165 11.131 -7.239 -6.195 1.00 0.00 C ATOM 1231 O GLY A 165 12.059 -6.914 -6.937 1.00 0.00 O ATOM 0 H GLY A 165 12.250 -6.373 -3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 165 12.355 -8.139 -4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 165 10.634 -8.336 -4.427 1.00 0.00 H new ATOM 1235 N ARG A 166 9.864 -7.275 -6.593 1.00 0.00 N ATOM 1236 CA ARG A 166 9.481 -6.927 -7.956 1.00 0.00 C ATOM 1237 C ARG A 166 9.393 -5.413 -8.126 1.00 0.00 C ATOM 1238 O ARG A 166 9.678 -4.657 -7.198 1.00 0.00 O ATOM 1239 CB ARG A 166 8.140 -7.570 -8.312 1.00 0.00 C ATOM 1240 CG ARG A 166 8.181 -9.089 -8.337 1.00 0.00 C ATOM 1241 CD ARG A 166 6.832 -9.689 -7.972 1.00 0.00 C ATOM 1242 NE ARG A 166 6.689 -11.056 -8.466 1.00 0.00 N ATOM 1243 CZ ARG A 166 6.591 -11.365 -9.754 1.00 0.00 C ATOM 1244 NH1 ARG A 166 6.621 -10.410 -10.673 1.00 0.00 N ATOM 1245 NH2 ARG A 166 6.463 -12.633 -10.126 1.00 0.00 N ATOM 0 H ARG A 166 9.085 -7.542 -5.991 1.00 0.00 H new ATOM 0 HA ARG A 166 10.248 -7.307 -8.630 1.00 0.00 H new ATOM 0 HB2 ARG A 166 7.389 -7.247 -7.591 1.00 0.00 H new ATOM 0 HB3 ARG A 166 7.821 -7.207 -9.289 1.00 0.00 H new ATOM 0 HG2 ARG A 166 8.475 -9.430 -9.330 1.00 0.00 H new ATOM 0 HG3 ARG A 166 8.939 -9.445 -7.640 1.00 0.00 H new ATOM 0 HD2 ARG A 166 6.713 -9.681 -6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 166 6.036 -9.069 -8.385 1.00 0.00 H new ATOM 0 HE ARG A 166 6.663 -11.815 -7.785 1.00 0.00 H new ATOM 0 HH11 ARG A 166 6.720 -9.435 -10.392 1.00 0.00 H new ATOM 0 HH12 ARG A 166 6.546 -10.651 -11.661 1.00 0.00 H new ATOM 0 HH21 ARG A 166 6.440 -13.371 -9.422 1.00 0.00 H new ATOM 0 HH22 ARG A 166 6.388 -12.869 -11.115 1.00 0.00 H new ATOM 1259 N GLN A 167 8.996 -4.979 -9.318 1.00 0.00 N ATOM 1260 CA GLN A 167 8.871 -3.555 -9.609 1.00 0.00 C ATOM 1261 C GLN A 167 7.537 -3.012 -9.108 1.00 0.00 C ATOM 1262 O GLN A 167 6.708 -3.759 -8.588 1.00 0.00 O ATOM 1263 CB GLN A 167 9.003 -3.307 -11.113 1.00 0.00 C ATOM 1264 CG GLN A 167 10.313 -3.809 -11.700 1.00 0.00 C ATOM 1265 CD GLN A 167 10.277 -3.905 -13.212 1.00 0.00 C ATOM 1266 OE1 GLN A 167 10.256 -4.999 -13.776 1.00 0.00 O ATOM 1267 NE2 GLN A 167 10.268 -2.756 -13.878 1.00 0.00 N ATOM 0 H GLN A 167 8.756 -5.592 -10.097 1.00 0.00 H new ATOM 0 HA GLN A 167 9.674 -3.032 -9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 167 8.174 -3.793 -11.627 1.00 0.00 H new ATOM 0 HB3 GLN A 167 8.914 -2.238 -11.306 1.00 0.00 H new ATOM 0 HG2 GLN A 167 11.120 -3.140 -11.402 1.00 0.00 H new ATOM 0 HG3 GLN A 167 10.541 -4.790 -11.283 1.00 0.00 H new ATOM 0 HE21 GLN A 167 10.286 -1.872 -13.370 1.00 0.00 H new ATOM 0 HE22 GLN A 167 10.243 -2.758 -14.898 1.00 0.00 H new ATOM 1276 N ILE A 168 7.338 -1.708 -9.267 1.00 0.00 N ATOM 1277 CA ILE A 168 6.104 -1.066 -8.831 1.00 0.00 C ATOM 1278 C ILE A 168 5.568 -0.121 -9.901 1.00 0.00 C ATOM 1279 O ILE A 168 6.217 0.110 -10.922 1.00 0.00 O ATOM 1280 CB ILE A 168 6.311 -0.278 -7.524 1.00 0.00 C ATOM 1281 CG1 ILE A 168 7.415 0.766 -7.702 1.00 0.00 C ATOM 1282 CG2 ILE A 168 6.650 -1.225 -6.383 1.00 0.00 C ATOM 1283 CD1 ILE A 168 7.579 1.682 -6.509 1.00 0.00 C ATOM 0 H ILE A 168 8.015 -1.076 -9.694 1.00 0.00 H new ATOM 0 HA ILE A 168 5.380 -1.861 -8.656 1.00 0.00 H new ATOM 0 HB ILE A 168 5.384 0.239 -7.278 1.00 0.00 H new ATOM 0 HG12 ILE A 168 8.360 0.256 -7.890 1.00 0.00 H new ATOM 0 HG13 ILE A 168 7.196 1.368 -8.584 1.00 0.00 H new ATOM 0 HG21 ILE A 168 6.793 -0.653 -5.466 1.00 0.00 H new ATOM 0 HG22 ILE A 168 5.834 -1.934 -6.244 1.00 0.00 H new ATOM 0 HG23 ILE A 168 7.566 -1.767 -6.620 1.00 0.00 H new ATOM 0 HD11 ILE A 168 8.379 2.396 -6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 168 6.648 2.220 -6.333 1.00 0.00 H new ATOM 0 HD13 ILE A 168 7.829 1.091 -5.628 1.00 0.00 H new ATOM 1295 N ARG A 169 4.380 0.424 -9.660 1.00 0.00 N ATOM 1296 CA ARG A 169 3.757 1.345 -10.603 1.00 0.00 C ATOM 1297 C ARG A 169 3.143 2.537 -9.874 1.00 0.00 C ATOM 1298 O ARG A 169 2.853 2.466 -8.679 1.00 0.00 O ATOM 1299 CB ARG A 169 2.682 0.624 -11.419 1.00 0.00 C ATOM 1300 CG ARG A 169 2.193 1.417 -12.619 1.00 0.00 C ATOM 1301 CD ARG A 169 1.482 0.525 -13.624 1.00 0.00 C ATOM 1302 NE ARG A 169 2.407 -0.054 -14.593 1.00 0.00 N ATOM 1303 CZ ARG A 169 2.020 -0.776 -15.639 1.00 0.00 C ATOM 1304 NH1 ARG A 169 0.731 -1.005 -15.850 1.00 0.00 N ATOM 1305 NH2 ARG A 169 2.923 -1.271 -16.477 1.00 0.00 N ATOM 0 H ARG A 169 3.830 0.244 -8.820 1.00 0.00 H new ATOM 0 HA ARG A 169 4.530 1.712 -11.278 1.00 0.00 H new ATOM 0 HB2 ARG A 169 3.079 -0.331 -11.763 1.00 0.00 H new ATOM 0 HB3 ARG A 169 1.834 0.402 -10.771 1.00 0.00 H new ATOM 0 HG2 ARG A 169 1.516 2.203 -12.285 1.00 0.00 H new ATOM 0 HG3 ARG A 169 3.038 1.908 -13.101 1.00 0.00 H new ATOM 0 HD2 ARG A 169 0.963 -0.275 -13.095 1.00 0.00 H new ATOM 0 HD3 ARG A 169 0.723 1.104 -14.149 1.00 0.00 H new ATOM 0 HE ARG A 169 3.406 0.104 -14.460 1.00 0.00 H new ATOM 0 HH11 ARG A 169 0.034 -0.627 -15.209 1.00 0.00 H new ATOM 0 HH12 ARG A 169 0.436 -1.560 -16.654 1.00 0.00 H new ATOM 0 HH21 ARG A 169 3.915 -1.097 -16.318 1.00 0.00 H new ATOM 0 HH22 ARG A 169 2.624 -1.825 -17.280 1.00 0.00 H new ATOM 1319 N THR A 170 2.948 3.633 -10.602 1.00 0.00 N ATOM 1320 CA THR A 170 2.371 4.840 -10.025 1.00 0.00 C ATOM 1321 C THR A 170 1.377 5.486 -10.983 1.00 0.00 C ATOM 1322 O THR A 170 1.450 5.287 -12.195 1.00 0.00 O ATOM 1323 CB THR A 170 3.461 5.867 -9.664 1.00 0.00 C ATOM 1324 OG1 THR A 170 4.539 5.787 -10.602 1.00 0.00 O ATOM 1325 CG2 THR A 170 3.987 5.625 -8.257 1.00 0.00 C ATOM 0 H THR A 170 3.181 3.709 -11.592 1.00 0.00 H new ATOM 0 HA THR A 170 1.851 4.538 -9.116 1.00 0.00 H new ATOM 0 HB THR A 170 3.019 6.863 -9.704 1.00 0.00 H new ATOM 0 HG1 THR A 170 4.849 6.690 -10.822 1.00 0.00 H new ATOM 0 HG21 THR A 170 4.756 6.362 -8.024 1.00 0.00 H new ATOM 0 HG22 THR A 170 3.169 5.715 -7.542 1.00 0.00 H new ATOM 0 HG23 THR A 170 4.414 4.624 -8.195 1.00 0.00 H new ATOM 1333 N ASN A 171 0.449 6.262 -10.432 1.00 0.00 N ATOM 1334 CA ASN A 171 -0.560 6.938 -11.239 1.00 0.00 C ATOM 1335 C ASN A 171 -1.236 8.051 -10.444 1.00 0.00 C ATOM 1336 O ASN A 171 -1.074 8.145 -9.227 1.00 0.00 O ATOM 1337 CB ASN A 171 -1.608 5.936 -11.728 1.00 0.00 C ATOM 1338 CG ASN A 171 -1.109 5.100 -12.890 1.00 0.00 C ATOM 1339 OD1 ASN A 171 -0.747 3.935 -12.721 1.00 0.00 O ATOM 1340 ND2 ASN A 171 -1.089 5.691 -14.079 1.00 0.00 N ATOM 0 H ASN A 171 0.375 6.438 -9.430 1.00 0.00 H new ATOM 0 HA ASN A 171 -0.062 7.382 -12.101 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -1.890 5.279 -10.906 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -2.507 6.473 -12.030 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -0.764 5.177 -14.898 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -1.398 6.658 -14.173 1.00 0.00 H new ATOM 1347 N TRP A 172 -1.995 8.890 -11.140 1.00 0.00 N ATOM 1348 CA TRP A 172 -2.697 9.996 -10.498 1.00 0.00 C ATOM 1349 C TRP A 172 -4.128 9.604 -10.149 1.00 0.00 C ATOM 1350 O TRP A 172 -4.987 9.511 -11.026 1.00 0.00 O ATOM 1351 CB TRP A 172 -2.700 11.223 -11.412 1.00 0.00 C ATOM 1352 CG TRP A 172 -1.391 11.954 -11.429 1.00 0.00 C ATOM 1353 CD1 TRP A 172 -0.414 11.863 -12.380 1.00 0.00 C ATOM 1354 CD2 TRP A 172 -0.916 12.885 -10.451 1.00 0.00 C ATOM 1355 NE1 TRP A 172 0.639 12.681 -12.051 1.00 0.00 N ATOM 1356 CE2 TRP A 172 0.355 13.320 -10.873 1.00 0.00 C ATOM 1357 CE3 TRP A 172 -1.442 13.396 -9.261 1.00 0.00 C ATOM 1358 CZ2 TRP A 172 1.106 14.239 -10.145 1.00 0.00 C ATOM 1359 CZ3 TRP A 172 -0.696 14.307 -8.540 1.00 0.00 C ATOM 1360 CH2 TRP A 172 0.567 14.722 -8.984 1.00 0.00 C ATOM 0 H TRP A 172 -2.140 8.826 -12.148 1.00 0.00 H new ATOM 0 HA TRP A 172 -2.172 10.240 -9.574 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -2.947 10.911 -12.427 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -3.485 11.906 -11.089 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -0.463 11.240 -13.261 1.00 0.00 H new ATOM 0 HE1 TRP A 172 1.494 12.794 -12.596 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -2.415 13.084 -8.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 2.080 14.559 -10.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -1.092 14.707 -7.618 1.00 0.00 H new ATOM 0 HH2 TRP A 172 1.126 15.437 -8.398 1.00 0.00 H new ATOM 1371 N ALA A 173 -4.377 9.374 -8.864 1.00 0.00 N ATOM 1372 CA ALA A 173 -5.706 8.994 -8.400 1.00 0.00 C ATOM 1373 C ALA A 173 -6.667 10.176 -8.459 1.00 0.00 C ATOM 1374 O ALA A 173 -6.619 11.072 -7.616 1.00 0.00 O ATOM 1375 CB ALA A 173 -5.632 8.441 -6.984 1.00 0.00 C ATOM 0 H ALA A 173 -3.676 9.444 -8.126 1.00 0.00 H new ATOM 0 HA ALA A 173 -6.087 8.217 -9.063 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -6.631 8.161 -6.650 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -4.986 7.564 -6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -5.226 9.202 -6.317 1.00 0.00 H new