USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=13 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 98 HIS : no HD1:sc= 0.0858 X(o=0.18,f=-0.26) USER MOD Set 1.2: A 144 SER OG : rot -84:sc= 0.0923 USER MOD Single : A 96 HIS : no HD1:sc= -1.95! K(o=-1.9!,f=-1.3) USER MOD Single : A 105 SER OG : rot 178:sc= -0.42 USER MOD Single : A 109 THR OG1 : rot 180:sc= -1.83 USER MOD Single : A 110 THR OG1 : rot 180:sc= -1.58! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot -14:sc= 0.567 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.215) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot -133:sc= 0.132 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot -140:sc= -3.68! USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.094) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1.4!) USER MOD Single : A 157 HIS : no HD1:sc= -0.191 X(o=-0.19,f=0.0062) USER MOD Single : A 158 MET CE :methyl -136:sc= -7.06! (180deg=-11.2!) USER MOD Single : A 161 GLN : amide:sc= 0.0585 K(o=0.059,f=-2.3!) USER MOD Single : A 167 GLN : amide:sc= -0.517 X(o=-0.52,f=-0.42) USER MOD Single : A 170 THR OG1 : rot 134:sc=-0.00684 USER MOD Single : A 171 ASN : amide:sc=-0.00421 X(o=-0.0042,f=-0.0042) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 -3.776 17.855 0.240 1.00 0.00 N ATOM 179 CA HIS A 96 -2.663 17.074 -0.288 1.00 0.00 C ATOM 180 C HIS A 96 -3.055 16.381 -1.589 1.00 0.00 C ATOM 181 O HIS A 96 -4.217 16.411 -1.995 1.00 0.00 O ATOM 182 CB HIS A 96 -2.209 16.036 0.739 1.00 0.00 C ATOM 183 CG HIS A 96 -1.656 16.638 1.994 1.00 0.00 C ATOM 184 ND1 HIS A 96 -1.555 15.942 3.181 1.00 0.00 N ATOM 185 CD2 HIS A 96 -1.172 17.877 2.243 1.00 0.00 C ATOM 186 CE1 HIS A 96 -1.033 16.728 4.106 1.00 0.00 C ATOM 187 NE2 HIS A 96 -0.792 17.908 3.563 1.00 0.00 N ATOM 0 HA HIS A 96 -1.838 17.756 -0.494 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.054 15.396 0.994 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.450 15.397 0.287 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.098 18.690 1.536 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.837 16.453 5.132 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -0.389 18.711 4.045 1.00 0.00 H new ATOM 196 N PHE A 97 -2.078 15.758 -2.240 1.00 0.00 N ATOM 197 CA PHE A 97 -2.320 15.059 -3.497 1.00 0.00 C ATOM 198 C PHE A 97 -2.274 13.547 -3.296 1.00 0.00 C ATOM 199 O PHE A 97 -1.363 13.023 -2.655 1.00 0.00 O ATOM 200 CB PHE A 97 -1.287 15.478 -4.545 1.00 0.00 C ATOM 201 CG PHE A 97 -1.356 16.935 -4.905 1.00 0.00 C ATOM 202 CD1 PHE A 97 -0.939 17.904 -4.007 1.00 0.00 C ATOM 203 CD2 PHE A 97 -1.836 17.335 -6.142 1.00 0.00 C ATOM 204 CE1 PHE A 97 -1.001 19.245 -4.336 1.00 0.00 C ATOM 205 CE2 PHE A 97 -1.901 18.674 -6.476 1.00 0.00 C ATOM 206 CZ PHE A 97 -1.482 19.631 -5.573 1.00 0.00 C ATOM 0 H PHE A 97 -1.111 15.723 -1.918 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.315 15.331 -3.849 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.289 15.251 -4.171 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.433 14.882 -5.446 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.561 17.608 -3.039 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.163 16.591 -6.853 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.674 19.991 -3.627 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.279 18.972 -7.443 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.530 20.678 -5.833 1.00 0.00 H new ATOM 216 N HIS A 98 -3.263 12.852 -3.849 1.00 0.00 N ATOM 217 CA HIS A 98 -3.335 11.400 -3.732 1.00 0.00 C ATOM 218 C HIS A 98 -2.555 10.725 -4.855 1.00 0.00 C ATOM 219 O HIS A 98 -2.742 11.038 -6.031 1.00 0.00 O ATOM 220 CB HIS A 98 -4.792 10.938 -3.758 1.00 0.00 C ATOM 221 CG HIS A 98 -5.646 11.589 -2.714 1.00 0.00 C ATOM 222 ND1 HIS A 98 -5.264 11.707 -1.395 1.00 0.00 N ATOM 223 CD2 HIS A 98 -6.870 12.162 -2.802 1.00 0.00 C ATOM 224 CE1 HIS A 98 -6.216 12.322 -0.716 1.00 0.00 C ATOM 225 NE2 HIS A 98 -7.201 12.609 -1.547 1.00 0.00 N ATOM 0 H HIS A 98 -4.025 13.271 -4.382 1.00 0.00 H new ATOM 0 HA HIS A 98 -2.887 11.114 -2.780 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.213 11.146 -4.742 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.824 9.857 -3.620 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -7.473 12.251 -3.693 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.192 12.551 0.339 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -8.067 13.086 -1.297 1.00 0.00 H new ATOM 234 N VAL A 99 -1.678 9.796 -4.485 1.00 0.00 N ATOM 235 CA VAL A 99 -0.869 9.076 -5.461 1.00 0.00 C ATOM 236 C VAL A 99 -1.125 7.575 -5.386 1.00 0.00 C ATOM 237 O VAL A 99 -0.957 6.958 -4.334 1.00 0.00 O ATOM 238 CB VAL A 99 0.634 9.341 -5.249 1.00 0.00 C ATOM 239 CG1 VAL A 99 1.464 8.499 -6.205 1.00 0.00 C ATOM 240 CG2 VAL A 99 0.943 10.820 -5.422 1.00 0.00 C ATOM 0 H VAL A 99 -1.510 9.525 -3.516 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.159 9.442 -6.446 1.00 0.00 H new ATOM 0 HB VAL A 99 0.896 9.055 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.523 8.699 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.263 7.442 -6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.202 8.751 -7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.009 10.989 -5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.667 11.134 -6.428 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.375 11.398 -4.693 1.00 0.00 H new ATOM 250 N PHE A 100 -1.531 6.993 -6.509 1.00 0.00 N ATOM 251 CA PHE A 100 -1.810 5.563 -6.572 1.00 0.00 C ATOM 252 C PHE A 100 -0.540 4.773 -6.871 1.00 0.00 C ATOM 253 O PHE A 100 0.333 5.234 -7.606 1.00 0.00 O ATOM 254 CB PHE A 100 -2.867 5.275 -7.640 1.00 0.00 C ATOM 255 CG PHE A 100 -2.854 3.854 -8.128 1.00 0.00 C ATOM 256 CD1 PHE A 100 -1.829 3.397 -8.941 1.00 0.00 C ATOM 257 CD2 PHE A 100 -3.866 2.977 -7.775 1.00 0.00 C ATOM 258 CE1 PHE A 100 -1.814 2.090 -9.392 1.00 0.00 C ATOM 259 CE2 PHE A 100 -3.856 1.669 -8.222 1.00 0.00 C ATOM 260 CZ PHE A 100 -2.829 1.226 -9.033 1.00 0.00 C ATOM 0 H PHE A 100 -1.674 7.490 -7.388 1.00 0.00 H new ATOM 0 HA PHE A 100 -2.191 5.250 -5.600 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.853 5.503 -7.235 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.708 5.943 -8.487 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.033 4.069 -9.226 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.672 3.319 -7.143 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.009 1.745 -10.024 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.650 0.994 -7.938 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.820 0.205 -9.386 1.00 0.00 H new ATOM 270 N VAL A 101 -0.443 3.579 -6.295 1.00 0.00 N ATOM 271 CA VAL A 101 0.720 2.723 -6.499 1.00 0.00 C ATOM 272 C VAL A 101 0.304 1.272 -6.711 1.00 0.00 C ATOM 273 O VAL A 101 -0.173 0.611 -5.789 1.00 0.00 O ATOM 274 CB VAL A 101 1.689 2.799 -5.305 1.00 0.00 C ATOM 275 CG1 VAL A 101 2.876 1.873 -5.521 1.00 0.00 C ATOM 276 CG2 VAL A 101 2.152 4.231 -5.085 1.00 0.00 C ATOM 0 H VAL A 101 -1.156 3.182 -5.683 1.00 0.00 H new ATOM 0 HA VAL A 101 1.228 3.086 -7.393 1.00 0.00 H new ATOM 0 HB VAL A 101 1.161 2.471 -4.410 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.550 1.940 -4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.523 0.847 -5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.407 2.167 -6.426 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.836 4.266 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.663 4.590 -5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.289 4.865 -4.881 1.00 0.00 H new ATOM 286 N GLY A 102 0.488 0.781 -7.933 1.00 0.00 N ATOM 287 CA GLY A 102 0.127 -0.589 -8.244 1.00 0.00 C ATOM 288 C GLY A 102 1.330 -1.510 -8.289 1.00 0.00 C ATOM 289 O GLY A 102 2.442 -1.107 -7.945 1.00 0.00 O ATOM 0 H GLY A 102 0.881 1.308 -8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.578 -0.954 -7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.384 -0.617 -9.206 1.00 0.00 H new ATOM 293 N ASP A 103 1.109 -2.750 -8.712 1.00 0.00 N ATOM 294 CA ASP A 103 2.185 -3.731 -8.800 1.00 0.00 C ATOM 295 C ASP A 103 3.042 -3.712 -7.538 1.00 0.00 C ATOM 296 O ASP A 103 4.271 -3.706 -7.609 1.00 0.00 O ATOM 297 CB ASP A 103 3.056 -3.456 -10.027 1.00 0.00 C ATOM 298 CG ASP A 103 2.322 -3.716 -11.327 1.00 0.00 C ATOM 299 OD1 ASP A 103 1.078 -3.602 -11.341 1.00 0.00 O ATOM 300 OD2 ASP A 103 2.992 -4.033 -12.333 1.00 0.00 O ATOM 0 H ASP A 103 0.195 -3.100 -8.999 1.00 0.00 H new ATOM 0 HA ASP A 103 1.735 -4.719 -8.898 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.394 -2.420 -10.005 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.947 -4.083 -9.984 1.00 0.00 H new ATOM 305 N LEU A 104 2.385 -3.703 -6.383 1.00 0.00 N ATOM 306 CA LEU A 104 3.086 -3.684 -5.104 1.00 0.00 C ATOM 307 C LEU A 104 3.407 -5.100 -4.638 1.00 0.00 C ATOM 308 O LEU A 104 2.514 -5.855 -4.254 1.00 0.00 O ATOM 309 CB LEU A 104 2.243 -2.966 -4.049 1.00 0.00 C ATOM 310 CG LEU A 104 2.175 -1.443 -4.167 1.00 0.00 C ATOM 311 CD1 LEU A 104 1.166 -0.875 -3.180 1.00 0.00 C ATOM 312 CD2 LEU A 104 3.549 -0.828 -3.940 1.00 0.00 C ATOM 0 H LEU A 104 1.368 -3.709 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 104 4.024 -3.145 -5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.228 -3.360 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.638 -3.217 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 104 1.848 -1.191 -5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.132 0.210 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.180 -1.290 -3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.463 -1.138 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.481 0.256 -4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.905 -1.090 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.246 -1.210 -4.686 1.00 0.00 H new ATOM 324 N SER A 105 4.688 -5.453 -4.672 1.00 0.00 N ATOM 325 CA SER A 105 5.126 -6.780 -4.254 1.00 0.00 C ATOM 326 C SER A 105 4.418 -7.208 -2.972 1.00 0.00 C ATOM 327 O SER A 105 3.998 -6.383 -2.160 1.00 0.00 O ATOM 328 CB SER A 105 6.642 -6.796 -4.043 1.00 0.00 C ATOM 329 OG SER A 105 7.010 -7.749 -3.062 1.00 0.00 O ATOM 0 H SER A 105 5.440 -4.839 -4.984 1.00 0.00 H new ATOM 0 HA SER A 105 4.868 -7.486 -5.043 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.141 -7.027 -4.984 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.980 -5.806 -3.738 1.00 0.00 H new ATOM 0 HG SER A 105 7.985 -7.763 -2.969 1.00 0.00 H new ATOM 335 N PRO A 106 4.283 -8.529 -2.785 1.00 0.00 N ATOM 336 CA PRO A 106 3.626 -9.098 -1.604 1.00 0.00 C ATOM 337 C PRO A 106 4.448 -8.903 -0.334 1.00 0.00 C ATOM 338 O PRO A 106 3.926 -9.007 0.775 1.00 0.00 O ATOM 339 CB PRO A 106 3.512 -10.586 -1.944 1.00 0.00 C ATOM 340 CG PRO A 106 4.611 -10.837 -2.918 1.00 0.00 C ATOM 341 CD PRO A 106 4.760 -9.569 -3.712 1.00 0.00 C ATOM 0 HA PRO A 106 2.668 -8.619 -1.399 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.623 -11.205 -1.054 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.539 -10.820 -2.376 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.539 -11.086 -2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.371 -11.678 -3.568 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.795 -9.399 -4.008 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.167 -9.595 -4.626 1.00 0.00 H new ATOM 349 N GLU A 107 5.735 -8.619 -0.505 1.00 0.00 N ATOM 350 CA GLU A 107 6.628 -8.410 0.628 1.00 0.00 C ATOM 351 C GLU A 107 6.604 -6.952 1.079 1.00 0.00 C ATOM 352 O GLU A 107 7.231 -6.589 2.074 1.00 0.00 O ATOM 353 CB GLU A 107 8.057 -8.819 0.263 1.00 0.00 C ATOM 354 CG GLU A 107 9.088 -8.425 1.307 1.00 0.00 C ATOM 355 CD GLU A 107 10.380 -9.209 1.176 1.00 0.00 C ATOM 356 OE1 GLU A 107 11.155 -8.922 0.241 1.00 0.00 O ATOM 357 OE2 GLU A 107 10.614 -10.109 2.009 1.00 0.00 O ATOM 0 H GLU A 107 6.182 -8.528 -1.417 1.00 0.00 H new ATOM 0 HA GLU A 107 6.279 -9.033 1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.092 -9.899 0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.324 -8.363 -0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.303 -7.360 1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.671 -8.583 2.302 1.00 0.00 H new ATOM 364 N ILE A 108 5.876 -6.123 0.338 1.00 0.00 N ATOM 365 CA ILE A 108 5.770 -4.705 0.661 1.00 0.00 C ATOM 366 C ILE A 108 4.971 -4.492 1.942 1.00 0.00 C ATOM 367 O ILE A 108 4.053 -5.253 2.250 1.00 0.00 O ATOM 368 CB ILE A 108 5.106 -3.916 -0.482 1.00 0.00 C ATOM 369 CG1 ILE A 108 5.837 -4.173 -1.801 1.00 0.00 C ATOM 370 CG2 ILE A 108 5.090 -2.429 -0.160 1.00 0.00 C ATOM 371 CD1 ILE A 108 7.227 -3.579 -1.848 1.00 0.00 C ATOM 0 H ILE A 108 5.351 -6.408 -0.489 1.00 0.00 H new ATOM 0 HA ILE A 108 6.786 -4.336 0.804 1.00 0.00 H new ATOM 0 HB ILE A 108 4.076 -4.256 -0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.905 -5.248 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.247 -3.761 -2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.617 -1.885 -0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.529 -2.262 0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.112 -2.074 -0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.685 -3.801 -2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.166 -2.499 -1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.834 -4.009 -1.051 1.00 0.00 H new ATOM 383 N THR A 109 5.325 -3.449 2.687 1.00 0.00 N ATOM 384 CA THR A 109 4.641 -3.133 3.935 1.00 0.00 C ATOM 385 C THR A 109 4.371 -1.637 4.051 1.00 0.00 C ATOM 386 O THR A 109 5.175 -0.814 3.612 1.00 0.00 O ATOM 387 CB THR A 109 5.460 -3.592 5.156 1.00 0.00 C ATOM 388 OG1 THR A 109 6.695 -2.868 5.218 1.00 0.00 O ATOM 389 CG2 THR A 109 5.745 -5.085 5.086 1.00 0.00 C ATOM 0 H THR A 109 6.082 -2.809 2.447 1.00 0.00 H new ATOM 0 HA THR A 109 3.693 -3.670 3.920 1.00 0.00 H new ATOM 0 HB THR A 109 4.876 -3.391 6.054 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.209 -3.165 5.998 1.00 0.00 H new ATOM 0 HG21 THR A 109 6.325 -5.386 5.959 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.804 -5.635 5.068 1.00 0.00 H new ATOM 0 HG23 THR A 109 6.311 -5.305 4.181 1.00 0.00 H new ATOM 397 N THR A 110 3.234 -1.290 4.647 1.00 0.00 N ATOM 398 CA THR A 110 2.858 0.107 4.821 1.00 0.00 C ATOM 399 C THR A 110 4.024 0.927 5.361 1.00 0.00 C ATOM 400 O THR A 110 4.196 2.090 5.000 1.00 0.00 O ATOM 401 CB THR A 110 1.658 0.251 5.775 1.00 0.00 C ATOM 402 OG1 THR A 110 0.533 -0.471 5.260 1.00 0.00 O ATOM 403 CG2 THR A 110 1.286 1.714 5.960 1.00 0.00 C ATOM 0 H THR A 110 2.558 -1.958 5.017 1.00 0.00 H new ATOM 0 HA THR A 110 2.578 0.484 3.837 1.00 0.00 H new ATOM 0 HB THR A 110 1.941 -0.161 6.744 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.225 -0.376 5.873 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.436 1.790 6.638 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.134 2.255 6.379 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.021 2.147 4.995 1.00 0.00 H new ATOM 411 N GLU A 111 4.822 0.312 6.229 1.00 0.00 N ATOM 412 CA GLU A 111 5.972 0.987 6.819 1.00 0.00 C ATOM 413 C GLU A 111 7.086 1.164 5.790 1.00 0.00 C ATOM 414 O GLU A 111 7.845 2.132 5.842 1.00 0.00 O ATOM 415 CB GLU A 111 6.494 0.198 8.021 1.00 0.00 C ATOM 416 CG GLU A 111 5.779 0.526 9.321 1.00 0.00 C ATOM 417 CD GLU A 111 4.486 -0.248 9.488 1.00 0.00 C ATOM 418 OE1 GLU A 111 4.541 -1.495 9.530 1.00 0.00 O ATOM 419 OE2 GLU A 111 3.419 0.394 9.577 1.00 0.00 O ATOM 0 H GLU A 111 4.693 -0.651 6.539 1.00 0.00 H new ATOM 0 HA GLU A 111 5.649 1.973 7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 111 6.390 -0.868 7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.559 0.398 8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.440 0.307 10.160 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.565 1.594 9.354 1.00 0.00 H new ATOM 426 N ASP A 112 7.178 0.221 4.859 1.00 0.00 N ATOM 427 CA ASP A 112 8.198 0.272 3.818 1.00 0.00 C ATOM 428 C ASP A 112 7.920 1.409 2.839 1.00 0.00 C ATOM 429 O ASP A 112 8.807 2.203 2.528 1.00 0.00 O ATOM 430 CB ASP A 112 8.258 -1.060 3.068 1.00 0.00 C ATOM 431 CG ASP A 112 8.974 -2.137 3.858 1.00 0.00 C ATOM 432 OD1 ASP A 112 9.056 -2.009 5.097 1.00 0.00 O ATOM 433 OD2 ASP A 112 9.454 -3.109 3.236 1.00 0.00 O ATOM 0 H ASP A 112 6.559 -0.588 4.804 1.00 0.00 H new ATOM 0 HA ASP A 112 9.160 0.455 4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 112 7.245 -1.392 2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 112 8.766 -0.914 2.115 1.00 0.00 H new ATOM 438 N ILE A 113 6.683 1.479 2.358 1.00 0.00 N ATOM 439 CA ILE A 113 6.290 2.518 1.415 1.00 0.00 C ATOM 440 C ILE A 113 6.513 3.907 2.003 1.00 0.00 C ATOM 441 O ILE A 113 7.079 4.786 1.352 1.00 0.00 O ATOM 442 CB ILE A 113 4.811 2.378 1.007 1.00 0.00 C ATOM 443 CG1 ILE A 113 4.554 0.995 0.405 1.00 0.00 C ATOM 444 CG2 ILE A 113 4.427 3.470 0.020 1.00 0.00 C ATOM 445 CD1 ILE A 113 3.191 0.858 -0.234 1.00 0.00 C ATOM 0 H ILE A 113 5.937 0.829 2.606 1.00 0.00 H new ATOM 0 HA ILE A 113 6.916 2.395 0.531 1.00 0.00 H new ATOM 0 HB ILE A 113 4.193 2.487 1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.319 0.785 -0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.657 0.243 1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.379 3.357 -0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.577 4.446 0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.050 3.390 -0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.079 -0.148 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.419 1.036 0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.091 1.587 -1.038 1.00 0.00 H new ATOM 457 N LYS A 114 6.067 4.099 3.240 1.00 0.00 N ATOM 458 CA LYS A 114 6.221 5.380 3.919 1.00 0.00 C ATOM 459 C LYS A 114 7.694 5.754 4.050 1.00 0.00 C ATOM 460 O LYS A 114 8.056 6.927 3.968 1.00 0.00 O ATOM 461 CB LYS A 114 5.572 5.327 5.304 1.00 0.00 C ATOM 462 CG LYS A 114 4.058 5.438 5.271 1.00 0.00 C ATOM 463 CD LYS A 114 3.462 5.347 6.666 1.00 0.00 C ATOM 464 CE LYS A 114 3.346 6.719 7.313 1.00 0.00 C ATOM 465 NZ LYS A 114 3.160 6.624 8.787 1.00 0.00 N ATOM 0 H LYS A 114 5.596 3.383 3.793 1.00 0.00 H new ATOM 0 HA LYS A 114 5.723 6.142 3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.849 4.391 5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.974 6.135 5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.772 6.385 4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.648 4.645 4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.477 4.884 6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.084 4.702 7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.243 7.299 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.505 7.257 6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 3.085 7.580 9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 2.290 6.092 8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.974 6.133 9.209 1.00 0.00 H new ATOM 479 N SER A 115 8.539 4.748 4.252 1.00 0.00 N ATOM 480 CA SER A 115 9.973 4.971 4.396 1.00 0.00 C ATOM 481 C SER A 115 10.674 4.891 3.044 1.00 0.00 C ATOM 482 O SER A 115 11.858 5.206 2.926 1.00 0.00 O ATOM 483 CB SER A 115 10.576 3.946 5.358 1.00 0.00 C ATOM 484 OG SER A 115 11.988 4.060 5.405 1.00 0.00 O ATOM 0 H SER A 115 8.255 3.771 4.320 1.00 0.00 H new ATOM 0 HA SER A 115 10.121 5.971 4.803 1.00 0.00 H new ATOM 0 HB2 SER A 115 10.163 4.092 6.356 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.299 2.940 5.043 1.00 0.00 H new ATOM 0 HG SER A 115 12.296 4.615 4.658 1.00 0.00 H new ATOM 490 N ALA A 116 9.933 4.467 2.025 1.00 0.00 N ATOM 491 CA ALA A 116 10.482 4.346 0.680 1.00 0.00 C ATOM 492 C ALA A 116 10.118 5.558 -0.172 1.00 0.00 C ATOM 493 O ALA A 116 10.815 5.886 -1.133 1.00 0.00 O ATOM 494 CB ALA A 116 9.987 3.068 0.021 1.00 0.00 C ATOM 0 H ALA A 116 8.951 4.202 2.106 1.00 0.00 H new ATOM 0 HA ALA A 116 11.568 4.303 0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 116 10.405 2.991 -0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.302 2.208 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.899 3.088 -0.040 1.00 0.00 H new ATOM 500 N PHE A 117 9.023 6.220 0.186 1.00 0.00 N ATOM 501 CA PHE A 117 8.566 7.394 -0.547 1.00 0.00 C ATOM 502 C PHE A 117 8.962 8.677 0.179 1.00 0.00 C ATOM 503 O PHE A 117 8.810 9.776 -0.353 1.00 0.00 O ATOM 504 CB PHE A 117 7.047 7.348 -0.731 1.00 0.00 C ATOM 505 CG PHE A 117 6.608 6.469 -1.866 1.00 0.00 C ATOM 506 CD1 PHE A 117 6.690 5.089 -1.764 1.00 0.00 C ATOM 507 CD2 PHE A 117 6.113 7.021 -3.037 1.00 0.00 C ATOM 508 CE1 PHE A 117 6.286 4.277 -2.807 1.00 0.00 C ATOM 509 CE2 PHE A 117 5.707 6.214 -4.083 1.00 0.00 C ATOM 510 CZ PHE A 117 5.794 4.841 -3.968 1.00 0.00 C ATOM 0 H PHE A 117 8.436 5.963 0.979 1.00 0.00 H new ATOM 0 HA PHE A 117 9.044 7.388 -1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.588 6.993 0.192 1.00 0.00 H new ATOM 0 HB3 PHE A 117 6.679 8.360 -0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 117 7.074 4.643 -0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.044 8.094 -3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 117 6.355 3.203 -2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 117 5.322 6.657 -4.990 1.00 0.00 H new ATOM 0 HZ PHE A 117 5.478 4.209 -4.785 1.00 0.00 H new ATOM 520 N ALA A 118 9.471 8.526 1.397 1.00 0.00 N ATOM 521 CA ALA A 118 9.891 9.671 2.196 1.00 0.00 C ATOM 522 C ALA A 118 10.879 10.543 1.429 1.00 0.00 C ATOM 523 O ALA A 118 10.766 11.768 1.393 1.00 0.00 O ATOM 524 CB ALA A 118 10.504 9.203 3.508 1.00 0.00 C ATOM 0 H ALA A 118 9.603 7.623 1.852 1.00 0.00 H new ATOM 0 HA ALA A 118 9.009 10.273 2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.813 10.068 4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.767 8.629 4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 118 11.372 8.576 3.301 1.00 0.00 H new ATOM 530 N PRO A 119 11.874 9.898 0.800 1.00 0.00 N ATOM 531 CA PRO A 119 12.902 10.596 0.023 1.00 0.00 C ATOM 532 C PRO A 119 12.307 11.619 -0.939 1.00 0.00 C ATOM 533 O PRO A 119 13.007 12.502 -1.433 1.00 0.00 O ATOM 534 CB PRO A 119 13.587 9.468 -0.753 1.00 0.00 C ATOM 535 CG PRO A 119 13.370 8.251 0.079 1.00 0.00 C ATOM 536 CD PRO A 119 12.071 8.439 0.800 1.00 0.00 C ATOM 0 HA PRO A 119 13.578 11.165 0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 119 13.154 9.351 -1.746 1.00 0.00 H new ATOM 0 HB3 PRO A 119 14.649 9.670 -0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 119 13.339 7.358 -0.545 1.00 0.00 H new ATOM 0 HG3 PRO A 119 14.188 8.117 0.787 1.00 0.00 H new ATOM 0 HD2 PRO A 119 11.254 7.926 0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 119 12.116 8.042 1.814 1.00 0.00 H new ATOM 544 N PHE A 120 11.010 11.493 -1.201 1.00 0.00 N ATOM 545 CA PHE A 120 10.320 12.407 -2.105 1.00 0.00 C ATOM 546 C PHE A 120 9.737 13.591 -1.340 1.00 0.00 C ATOM 547 O PHE A 120 9.753 14.724 -1.821 1.00 0.00 O ATOM 548 CB PHE A 120 9.208 11.672 -2.855 1.00 0.00 C ATOM 549 CG PHE A 120 9.686 10.457 -3.598 1.00 0.00 C ATOM 550 CD1 PHE A 120 10.580 10.579 -4.650 1.00 0.00 C ATOM 551 CD2 PHE A 120 9.243 9.193 -3.243 1.00 0.00 C ATOM 552 CE1 PHE A 120 11.021 9.463 -5.335 1.00 0.00 C ATOM 553 CE2 PHE A 120 9.681 8.073 -3.925 1.00 0.00 C ATOM 554 CZ PHE A 120 10.572 8.209 -4.971 1.00 0.00 C ATOM 0 H PHE A 120 10.416 10.767 -0.800 1.00 0.00 H new ATOM 0 HA PHE A 120 11.046 12.785 -2.825 1.00 0.00 H new ATOM 0 HB2 PHE A 120 8.438 11.373 -2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 120 8.741 12.359 -3.561 1.00 0.00 H new ATOM 0 HD1 PHE A 120 10.936 11.557 -4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 120 8.548 9.081 -2.424 1.00 0.00 H new ATOM 0 HE1 PHE A 120 11.716 9.571 -6.154 1.00 0.00 H new ATOM 0 HE2 PHE A 120 9.327 7.093 -3.640 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.917 7.335 -5.504 1.00 0.00 H new ATOM 564 N GLY A 121 9.221 13.320 -0.145 1.00 0.00 N ATOM 565 CA GLY A 121 8.639 14.373 0.668 1.00 0.00 C ATOM 566 C GLY A 121 7.904 13.831 1.878 1.00 0.00 C ATOM 567 O GLY A 121 7.835 12.619 2.081 1.00 0.00 O ATOM 0 H GLY A 121 9.195 12.391 0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 121 9.427 15.050 0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.949 14.958 0.060 1.00 0.00 H new ATOM 571 N LYS A 122 7.353 14.732 2.685 1.00 0.00 N ATOM 572 CA LYS A 122 6.620 14.339 3.882 1.00 0.00 C ATOM 573 C LYS A 122 5.346 13.583 3.517 1.00 0.00 C ATOM 574 O LYS A 122 4.591 14.008 2.642 1.00 0.00 O ATOM 575 CB LYS A 122 6.271 15.572 4.719 1.00 0.00 C ATOM 576 CG LYS A 122 5.518 15.247 5.997 1.00 0.00 C ATOM 577 CD LYS A 122 6.467 14.878 7.125 1.00 0.00 C ATOM 578 CE LYS A 122 5.789 13.988 8.155 1.00 0.00 C ATOM 579 NZ LYS A 122 6.762 13.434 9.136 1.00 0.00 N ATOM 0 H LYS A 122 7.400 15.739 2.531 1.00 0.00 H new ATOM 0 HA LYS A 122 7.259 13.678 4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 122 7.190 16.100 4.973 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.669 16.252 4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.915 16.105 6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.830 14.422 5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.338 14.365 6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.829 15.785 7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.026 14.560 8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.279 13.169 7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.261 12.833 9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.475 12.867 8.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.231 14.215 9.639 1.00 0.00 H new ATOM 593 N ILE A 123 5.115 12.462 4.192 1.00 0.00 N ATOM 594 CA ILE A 123 3.932 11.649 3.939 1.00 0.00 C ATOM 595 C ILE A 123 2.916 11.791 5.067 1.00 0.00 C ATOM 596 O ILE A 123 3.250 11.629 6.241 1.00 0.00 O ATOM 597 CB ILE A 123 4.295 10.162 3.774 1.00 0.00 C ATOM 598 CG1 ILE A 123 5.265 9.978 2.605 1.00 0.00 C ATOM 599 CG2 ILE A 123 3.039 9.330 3.564 1.00 0.00 C ATOM 600 CD1 ILE A 123 5.964 8.636 2.605 1.00 0.00 C ATOM 0 H ILE A 123 5.731 12.096 4.918 1.00 0.00 H new ATOM 0 HA ILE A 123 3.493 12.012 3.010 1.00 0.00 H new ATOM 0 HB ILE A 123 4.785 9.820 4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.719 10.094 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 123 6.014 10.769 2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 123 3.312 8.281 3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.381 9.441 4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 123 2.523 9.671 2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.636 8.576 1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.538 8.525 3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.223 7.840 2.541 1.00 0.00 H new ATOM 612 N SER A 124 1.674 12.093 4.704 1.00 0.00 N ATOM 613 CA SER A 124 0.609 12.258 5.686 1.00 0.00 C ATOM 614 C SER A 124 -0.261 11.006 5.761 1.00 0.00 C ATOM 615 O SER A 124 -0.853 10.709 6.798 1.00 0.00 O ATOM 616 CB SER A 124 -0.254 13.471 5.334 1.00 0.00 C ATOM 617 OG SER A 124 -1.362 13.581 6.212 1.00 0.00 O ATOM 0 H SER A 124 1.380 12.228 3.737 1.00 0.00 H new ATOM 0 HA SER A 124 1.070 12.418 6.661 1.00 0.00 H new ATOM 0 HB2 SER A 124 0.348 14.378 5.388 1.00 0.00 H new ATOM 0 HB3 SER A 124 -0.607 13.384 4.307 1.00 0.00 H new ATOM 0 HG SER A 124 -1.897 14.365 5.967 1.00 0.00 H new ATOM 623 N ASP A 125 -0.331 10.276 4.653 1.00 0.00 N ATOM 624 CA ASP A 125 -1.127 9.055 4.592 1.00 0.00 C ATOM 625 C ASP A 125 -0.499 8.045 3.635 1.00 0.00 C ATOM 626 O ASP A 125 -0.022 8.408 2.561 1.00 0.00 O ATOM 627 CB ASP A 125 -2.556 9.374 4.151 1.00 0.00 C ATOM 628 CG ASP A 125 -3.467 9.686 5.322 1.00 0.00 C ATOM 629 OD1 ASP A 125 -3.031 9.502 6.477 1.00 0.00 O ATOM 630 OD2 ASP A 125 -4.616 10.113 5.083 1.00 0.00 O ATOM 0 H ASP A 125 0.153 10.508 3.786 1.00 0.00 H new ATOM 0 HA ASP A 125 -1.153 8.616 5.590 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -2.541 10.224 3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -2.960 8.527 3.596 1.00 0.00 H new ATOM 635 N ALA A 126 -0.504 6.778 4.035 1.00 0.00 N ATOM 636 CA ALA A 126 0.063 5.716 3.213 1.00 0.00 C ATOM 637 C ALA A 126 -0.323 4.342 3.748 1.00 0.00 C ATOM 638 O ALA A 126 -0.060 4.020 4.907 1.00 0.00 O ATOM 639 CB ALA A 126 1.577 5.852 3.146 1.00 0.00 C ATOM 0 H ALA A 126 -0.894 6.462 4.923 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.345 5.813 2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 126 1.987 5.053 2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.837 6.817 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.993 5.784 4.151 1.00 0.00 H new ATOM 645 N ARG A 127 -0.949 3.535 2.898 1.00 0.00 N ATOM 646 CA ARG A 127 -1.373 2.195 3.287 1.00 0.00 C ATOM 647 C ARG A 127 -1.320 1.241 2.097 1.00 0.00 C ATOM 648 O ARG A 127 -1.381 1.667 0.943 1.00 0.00 O ATOM 649 CB ARG A 127 -2.790 2.233 3.862 1.00 0.00 C ATOM 650 CG ARG A 127 -3.877 2.290 2.800 1.00 0.00 C ATOM 651 CD ARG A 127 -5.241 2.561 3.414 1.00 0.00 C ATOM 652 NE ARG A 127 -5.458 3.984 3.662 1.00 0.00 N ATOM 653 CZ ARG A 127 -6.370 4.452 4.506 1.00 0.00 C ATOM 654 NH1 ARG A 127 -7.146 3.615 5.181 1.00 0.00 N ATOM 655 NH2 ARG A 127 -6.507 5.761 4.678 1.00 0.00 N ATOM 0 H ARG A 127 -1.174 3.786 1.935 1.00 0.00 H new ATOM 0 HA ARG A 127 -0.687 1.831 4.052 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -2.945 1.350 4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -2.885 3.101 4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -3.640 3.071 2.077 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -3.903 1.347 2.254 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -6.019 2.187 2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -5.332 2.012 4.351 1.00 0.00 H new ATOM 0 HE ARG A 127 -4.877 4.655 3.159 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -7.043 2.608 5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -7.846 3.978 5.829 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -5.911 6.408 4.162 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -7.208 6.120 5.327 1.00 0.00 H new ATOM 669 N VAL A 128 -1.207 -0.051 2.386 1.00 0.00 N ATOM 670 CA VAL A 128 -1.146 -1.066 1.341 1.00 0.00 C ATOM 671 C VAL A 128 -2.346 -2.004 1.416 1.00 0.00 C ATOM 672 O VAL A 128 -2.381 -2.920 2.237 1.00 0.00 O ATOM 673 CB VAL A 128 0.148 -1.896 1.439 1.00 0.00 C ATOM 674 CG1 VAL A 128 0.264 -2.544 2.810 1.00 0.00 C ATOM 675 CG2 VAL A 128 0.191 -2.946 0.339 1.00 0.00 C ATOM 0 H VAL A 128 -1.156 -0.420 3.336 1.00 0.00 H new ATOM 0 HA VAL A 128 -1.159 -0.539 0.387 1.00 0.00 H new ATOM 0 HB VAL A 128 0.999 -1.228 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.184 -3.126 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 128 0.281 -1.770 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -0.590 -3.200 2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.112 -3.523 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -0.666 -3.613 0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 128 0.158 -2.455 -0.634 1.00 0.00 H new ATOM 685 N VAL A 129 -3.328 -1.770 0.551 1.00 0.00 N ATOM 686 CA VAL A 129 -4.530 -2.594 0.518 1.00 0.00 C ATOM 687 C VAL A 129 -4.178 -4.072 0.391 1.00 0.00 C ATOM 688 O VAL A 129 -3.553 -4.492 -0.583 1.00 0.00 O ATOM 689 CB VAL A 129 -5.452 -2.195 -0.650 1.00 0.00 C ATOM 690 CG1 VAL A 129 -6.776 -2.939 -0.563 1.00 0.00 C ATOM 691 CG2 VAL A 129 -5.676 -0.691 -0.661 1.00 0.00 C ATOM 0 H VAL A 129 -3.314 -1.016 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.055 -2.427 1.459 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.967 -2.474 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.414 -2.644 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.594 -4.013 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -7.270 -2.694 0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -6.329 -0.427 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.140 -0.385 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -4.719 -0.181 -0.775 1.00 0.00 H new ATOM 701 N LYS A 130 -4.585 -4.859 1.382 1.00 0.00 N ATOM 702 CA LYS A 130 -4.316 -6.292 1.382 1.00 0.00 C ATOM 703 C LYS A 130 -5.616 -7.090 1.402 1.00 0.00 C ATOM 704 O LYS A 130 -6.659 -6.584 1.817 1.00 0.00 O ATOM 705 CB LYS A 130 -3.454 -6.669 2.589 1.00 0.00 C ATOM 706 CG LYS A 130 -1.962 -6.561 2.329 1.00 0.00 C ATOM 707 CD LYS A 130 -1.159 -6.723 3.609 1.00 0.00 C ATOM 708 CE LYS A 130 0.336 -6.752 3.330 1.00 0.00 C ATOM 709 NZ LYS A 130 0.800 -8.111 2.934 1.00 0.00 N ATOM 0 H LYS A 130 -5.103 -4.528 2.196 1.00 0.00 H new ATOM 0 HA LYS A 130 -3.776 -6.535 0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.716 -6.023 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -3.689 -7.691 2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -1.661 -7.324 1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -1.739 -5.594 1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -1.387 -5.902 4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -1.454 -7.644 4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 130 0.571 -6.042 2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 130 0.878 -6.428 4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 1.638 -8.368 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 0.042 -8.801 3.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 1.044 -8.114 1.923 1.00 0.00 H new ATOM 723 N ASP A 131 -5.545 -8.338 0.954 1.00 0.00 N ATOM 724 CA ASP A 131 -6.716 -9.207 0.924 1.00 0.00 C ATOM 725 C ASP A 131 -7.226 -9.481 2.335 1.00 0.00 C ATOM 726 O ASP A 131 -6.466 -9.426 3.301 1.00 0.00 O ATOM 727 CB ASP A 131 -6.381 -10.525 0.223 1.00 0.00 C ATOM 728 CG ASP A 131 -6.563 -10.445 -1.280 1.00 0.00 C ATOM 729 OD1 ASP A 131 -7.723 -10.355 -1.733 1.00 0.00 O ATOM 730 OD2 ASP A 131 -5.545 -10.472 -2.003 1.00 0.00 O ATOM 0 H ASP A 131 -4.689 -8.771 0.607 1.00 0.00 H new ATOM 0 HA ASP A 131 -7.502 -8.698 0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -5.350 -10.800 0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -7.016 -11.316 0.621 1.00 0.00 H new ATOM 735 N MET A 132 -8.517 -9.776 2.445 1.00 0.00 N ATOM 736 CA MET A 132 -9.128 -10.059 3.738 1.00 0.00 C ATOM 737 C MET A 132 -9.176 -11.561 4.000 1.00 0.00 C ATOM 738 O MET A 132 -9.425 -11.997 5.123 1.00 0.00 O ATOM 739 CB MET A 132 -10.541 -9.475 3.798 1.00 0.00 C ATOM 740 CG MET A 132 -11.272 -9.783 5.094 1.00 0.00 C ATOM 741 SD MET A 132 -10.457 -9.074 6.538 1.00 0.00 S ATOM 742 CE MET A 132 -11.170 -7.431 6.556 1.00 0.00 C ATOM 0 H MET A 132 -9.160 -9.825 1.655 1.00 0.00 H new ATOM 0 HA MET A 132 -8.516 -9.592 4.510 1.00 0.00 H new ATOM 0 HB2 MET A 132 -10.484 -8.394 3.671 1.00 0.00 H new ATOM 0 HB3 MET A 132 -11.122 -9.864 2.962 1.00 0.00 H new ATOM 0 HG2 MET A 132 -12.290 -9.400 5.032 1.00 0.00 H new ATOM 0 HG3 MET A 132 -11.345 -10.864 5.217 1.00 0.00 H new ATOM 0 HE1 MET A 132 -10.763 -6.867 7.395 1.00 0.00 H new ATOM 0 HE2 MET A 132 -10.929 -6.919 5.624 1.00 0.00 H new ATOM 0 HE3 MET A 132 -12.253 -7.505 6.659 1.00 0.00 H new ATOM 752 N ALA A 133 -8.935 -12.348 2.956 1.00 0.00 N ATOM 753 CA ALA A 133 -8.948 -13.800 3.074 1.00 0.00 C ATOM 754 C ALA A 133 -7.538 -14.349 3.262 1.00 0.00 C ATOM 755 O ALA A 133 -7.257 -15.049 4.236 1.00 0.00 O ATOM 756 CB ALA A 133 -9.600 -14.423 1.849 1.00 0.00 C ATOM 0 H ALA A 133 -8.728 -12.003 2.019 1.00 0.00 H new ATOM 0 HA ALA A 133 -9.532 -14.063 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -9.603 -15.508 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -10.625 -14.064 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -9.040 -14.144 0.957 1.00 0.00 H new ATOM 762 N THR A 134 -6.653 -14.028 2.324 1.00 0.00 N ATOM 763 CA THR A 134 -5.272 -14.490 2.385 1.00 0.00 C ATOM 764 C THR A 134 -4.405 -13.528 3.188 1.00 0.00 C ATOM 765 O THR A 134 -3.483 -13.944 3.888 1.00 0.00 O ATOM 766 CB THR A 134 -4.671 -14.651 0.976 1.00 0.00 C ATOM 767 OG1 THR A 134 -4.669 -13.391 0.297 1.00 0.00 O ATOM 768 CG2 THR A 134 -5.458 -15.669 0.164 1.00 0.00 C ATOM 0 H THR A 134 -6.868 -13.449 1.512 1.00 0.00 H new ATOM 0 HA THR A 134 -5.285 -15.461 2.880 1.00 0.00 H new ATOM 0 HB THR A 134 -3.647 -15.008 1.081 1.00 0.00 H new ATOM 0 HG1 THR A 134 -4.284 -13.502 -0.597 1.00 0.00 H new ATOM 0 HG21 THR A 134 -5.014 -15.765 -0.827 1.00 0.00 H new ATOM 0 HG22 THR A 134 -5.432 -16.635 0.668 1.00 0.00 H new ATOM 0 HG23 THR A 134 -6.492 -15.337 0.068 1.00 0.00 H new ATOM 776 N GLY A 135 -4.708 -12.237 3.083 1.00 0.00 N ATOM 777 CA GLY A 135 -3.946 -11.236 3.806 1.00 0.00 C ATOM 778 C GLY A 135 -2.680 -10.832 3.077 1.00 0.00 C ATOM 779 O GLY A 135 -1.684 -10.466 3.702 1.00 0.00 O ATOM 0 H GLY A 135 -5.467 -11.867 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -4.568 -10.355 3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -3.686 -11.623 4.791 1.00 0.00 H new ATOM 783 N LYS A 136 -2.715 -10.900 1.751 1.00 0.00 N ATOM 784 CA LYS A 136 -1.562 -10.539 0.935 1.00 0.00 C ATOM 785 C LYS A 136 -1.839 -9.272 0.133 1.00 0.00 C ATOM 786 O LYS A 136 -2.974 -9.015 -0.269 1.00 0.00 O ATOM 787 CB LYS A 136 -1.203 -11.687 -0.012 1.00 0.00 C ATOM 788 CG LYS A 136 -1.036 -13.024 0.688 1.00 0.00 C ATOM 789 CD LYS A 136 0.254 -13.076 1.489 1.00 0.00 C ATOM 790 CE LYS A 136 0.152 -14.056 2.648 1.00 0.00 C ATOM 791 NZ LYS A 136 0.387 -15.460 2.210 1.00 0.00 N ATOM 0 H LYS A 136 -3.530 -11.202 1.218 1.00 0.00 H new ATOM 0 HA LYS A 136 -0.721 -10.349 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -1.981 -11.778 -0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -0.278 -11.441 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -1.884 -13.197 1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -1.039 -13.826 -0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 136 1.077 -13.367 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 136 0.486 -12.082 1.871 1.00 0.00 H new ATOM 0 HE2 LYS A 136 0.879 -13.788 3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -0.835 -13.978 3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 0.309 -16.097 3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -0.322 -15.724 1.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 1.339 -15.541 1.798 1.00 0.00 H new ATOM 805 N SER A 137 -0.793 -8.483 -0.098 1.00 0.00 N ATOM 806 CA SER A 137 -0.925 -7.241 -0.850 1.00 0.00 C ATOM 807 C SER A 137 -1.688 -7.472 -2.151 1.00 0.00 C ATOM 808 O SER A 137 -1.151 -8.026 -3.110 1.00 0.00 O ATOM 809 CB SER A 137 0.456 -6.656 -1.153 1.00 0.00 C ATOM 810 OG SER A 137 0.352 -5.492 -1.955 1.00 0.00 O ATOM 0 H SER A 137 0.154 -8.682 0.225 1.00 0.00 H new ATOM 0 HA SER A 137 -1.487 -6.533 -0.240 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.965 -6.414 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.066 -7.401 -1.665 1.00 0.00 H new ATOM 0 HG SER A 137 1.000 -5.541 -2.689 1.00 0.00 H new ATOM 816 N LYS A 138 -2.945 -7.042 -2.176 1.00 0.00 N ATOM 817 CA LYS A 138 -3.785 -7.199 -3.357 1.00 0.00 C ATOM 818 C LYS A 138 -3.022 -6.819 -4.622 1.00 0.00 C ATOM 819 O LYS A 138 -3.200 -7.431 -5.674 1.00 0.00 O ATOM 820 CB LYS A 138 -5.044 -6.339 -3.231 1.00 0.00 C ATOM 821 CG LYS A 138 -6.043 -6.868 -2.217 1.00 0.00 C ATOM 822 CD LYS A 138 -7.469 -6.502 -2.595 1.00 0.00 C ATOM 823 CE LYS A 138 -8.458 -6.931 -1.522 1.00 0.00 C ATOM 824 NZ LYS A 138 -9.853 -6.541 -1.866 1.00 0.00 N ATOM 0 H LYS A 138 -3.405 -6.581 -1.391 1.00 0.00 H new ATOM 0 HA LYS A 138 -4.074 -8.247 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -4.755 -5.326 -2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -5.528 -6.274 -4.205 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -5.951 -7.952 -2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -5.812 -6.463 -1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -7.541 -5.425 -2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -7.729 -6.976 -3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -8.405 -8.012 -1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -8.179 -6.480 -0.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -10.497 -6.851 -1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -9.910 -5.507 -1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -10.129 -6.992 -2.762 1.00 0.00 H new ATOM 838 N GLY A 139 -2.169 -5.805 -4.511 1.00 0.00 N ATOM 839 CA GLY A 139 -1.390 -5.362 -5.653 1.00 0.00 C ATOM 840 C GLY A 139 -1.585 -3.889 -5.952 1.00 0.00 C ATOM 841 O GLY A 139 -1.449 -3.458 -7.097 1.00 0.00 O ATOM 0 H GLY A 139 -2.004 -5.282 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -0.334 -5.555 -5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -1.670 -5.947 -6.529 1.00 0.00 H new ATOM 845 N TYR A 140 -1.908 -3.116 -4.921 1.00 0.00 N ATOM 846 CA TYR A 140 -2.127 -1.683 -5.080 1.00 0.00 C ATOM 847 C TYR A 140 -2.175 -0.986 -3.724 1.00 0.00 C ATOM 848 O TYR A 140 -2.553 -1.585 -2.718 1.00 0.00 O ATOM 849 CB TYR A 140 -3.426 -1.426 -5.845 1.00 0.00 C ATOM 850 CG TYR A 140 -4.665 -1.875 -5.102 1.00 0.00 C ATOM 851 CD1 TYR A 140 -5.110 -3.189 -5.185 1.00 0.00 C ATOM 852 CD2 TYR A 140 -5.390 -0.986 -4.319 1.00 0.00 C ATOM 853 CE1 TYR A 140 -6.241 -3.604 -4.509 1.00 0.00 C ATOM 854 CE2 TYR A 140 -6.521 -1.392 -3.638 1.00 0.00 C ATOM 855 CZ TYR A 140 -6.943 -2.702 -3.737 1.00 0.00 C ATOM 856 OH TYR A 140 -8.070 -3.110 -3.061 1.00 0.00 O ATOM 0 H TYR A 140 -2.024 -3.457 -3.967 1.00 0.00 H new ATOM 0 HA TYR A 140 -1.292 -1.274 -5.649 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -3.507 -0.360 -6.059 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.381 -1.941 -6.804 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -4.562 -3.898 -5.788 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -5.064 0.041 -4.241 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -6.574 -4.629 -4.585 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -7.072 -0.688 -3.032 1.00 0.00 H new ATOM 0 HH TYR A 140 -8.754 -2.410 -3.112 1.00 0.00 H new ATOM 866 N GLY A 141 -1.789 0.287 -3.706 1.00 0.00 N ATOM 867 CA GLY A 141 -1.796 1.047 -2.470 1.00 0.00 C ATOM 868 C GLY A 141 -2.041 2.525 -2.699 1.00 0.00 C ATOM 869 O GLY A 141 -2.250 2.959 -3.832 1.00 0.00 O ATOM 0 H GLY A 141 -1.472 0.805 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -2.568 0.652 -1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -0.841 0.915 -1.961 1.00 0.00 H new ATOM 873 N PHE A 142 -2.018 3.301 -1.620 1.00 0.00 N ATOM 874 CA PHE A 142 -2.242 4.739 -1.709 1.00 0.00 C ATOM 875 C PHE A 142 -1.204 5.503 -0.892 1.00 0.00 C ATOM 876 O PHE A 142 -0.820 5.078 0.198 1.00 0.00 O ATOM 877 CB PHE A 142 -3.650 5.088 -1.220 1.00 0.00 C ATOM 878 CG PHE A 142 -4.739 4.385 -1.977 1.00 0.00 C ATOM 879 CD1 PHE A 142 -5.294 4.957 -3.111 1.00 0.00 C ATOM 880 CD2 PHE A 142 -5.208 3.151 -1.556 1.00 0.00 C ATOM 881 CE1 PHE A 142 -6.297 4.312 -3.809 1.00 0.00 C ATOM 882 CE2 PHE A 142 -6.211 2.501 -2.251 1.00 0.00 C ATOM 883 CZ PHE A 142 -6.755 3.082 -3.380 1.00 0.00 C ATOM 0 H PHE A 142 -1.847 2.958 -0.675 1.00 0.00 H new ATOM 0 HA PHE A 142 -2.144 5.033 -2.754 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -3.732 4.835 -0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -3.798 6.165 -1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -4.938 5.918 -3.453 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -4.785 2.692 -0.675 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -6.723 4.770 -4.690 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -6.569 1.540 -1.912 1.00 0.00 H new ATOM 0 HZ PHE A 142 -7.537 2.575 -3.926 1.00 0.00 H new ATOM 893 N VAL A 143 -0.753 6.633 -1.427 1.00 0.00 N ATOM 894 CA VAL A 143 0.240 7.457 -0.749 1.00 0.00 C ATOM 895 C VAL A 143 -0.026 8.940 -0.979 1.00 0.00 C ATOM 896 O VAL A 143 0.031 9.424 -2.110 1.00 0.00 O ATOM 897 CB VAL A 143 1.666 7.123 -1.225 1.00 0.00 C ATOM 898 CG1 VAL A 143 2.680 8.041 -0.560 1.00 0.00 C ATOM 899 CG2 VAL A 143 1.992 5.663 -0.947 1.00 0.00 C ATOM 0 H VAL A 143 -1.060 6.999 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 143 0.159 7.237 0.316 1.00 0.00 H new ATOM 0 HB VAL A 143 1.718 7.284 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 143 3.682 7.790 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 143 2.456 9.077 -0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 143 2.630 7.915 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 143 3.003 5.444 -1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 143 1.923 5.472 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 143 1.284 5.025 -1.476 1.00 0.00 H new ATOM 909 N SER A 144 -0.318 9.658 0.101 1.00 0.00 N ATOM 910 CA SER A 144 -0.597 11.087 0.017 1.00 0.00 C ATOM 911 C SER A 144 0.666 11.903 0.272 1.00 0.00 C ATOM 912 O SER A 144 1.462 11.578 1.153 1.00 0.00 O ATOM 913 CB SER A 144 -1.681 11.476 1.023 1.00 0.00 C ATOM 914 OG SER A 144 -2.910 10.839 0.721 1.00 0.00 O ATOM 0 H SER A 144 -0.368 9.274 1.044 1.00 0.00 H new ATOM 0 HA SER A 144 -0.951 11.304 -0.991 1.00 0.00 H new ATOM 0 HB2 SER A 144 -1.363 11.202 2.029 1.00 0.00 H new ATOM 0 HB3 SER A 144 -1.817 12.557 1.016 1.00 0.00 H new ATOM 0 HG SER A 144 -3.389 11.357 0.041 1.00 0.00 H new ATOM 920 N PHE A 145 0.844 12.965 -0.507 1.00 0.00 N ATOM 921 CA PHE A 145 2.011 13.829 -0.367 1.00 0.00 C ATOM 922 C PHE A 145 1.596 15.245 0.021 1.00 0.00 C ATOM 923 O PHE A 145 0.619 15.782 -0.500 1.00 0.00 O ATOM 924 CB PHE A 145 2.809 13.859 -1.672 1.00 0.00 C ATOM 925 CG PHE A 145 3.866 12.795 -1.753 1.00 0.00 C ATOM 926 CD1 PHE A 145 5.143 13.030 -1.269 1.00 0.00 C ATOM 927 CD2 PHE A 145 3.583 11.560 -2.314 1.00 0.00 C ATOM 928 CE1 PHE A 145 6.118 12.053 -1.342 1.00 0.00 C ATOM 929 CE2 PHE A 145 4.554 10.579 -2.389 1.00 0.00 C ATOM 930 CZ PHE A 145 5.823 10.826 -1.904 1.00 0.00 C ATOM 0 H PHE A 145 0.195 13.248 -1.242 1.00 0.00 H new ATOM 0 HA PHE A 145 2.639 13.423 0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 145 2.123 13.743 -2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 145 3.280 14.836 -1.778 1.00 0.00 H new ATOM 0 HD1 PHE A 145 5.379 13.988 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 145 2.593 11.362 -2.697 1.00 0.00 H new ATOM 0 HE1 PHE A 145 7.109 12.249 -0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 145 4.320 9.620 -2.827 1.00 0.00 H new ATOM 0 HZ PHE A 145 6.583 10.061 -1.964 1.00 0.00 H new ATOM 940 N TYR A 146 2.346 15.843 0.940 1.00 0.00 N ATOM 941 CA TYR A 146 2.055 17.196 1.402 1.00 0.00 C ATOM 942 C TYR A 146 1.910 18.154 0.223 1.00 0.00 C ATOM 943 O TYR A 146 0.980 18.958 0.174 1.00 0.00 O ATOM 944 CB TYR A 146 3.160 17.686 2.338 1.00 0.00 C ATOM 945 CG TYR A 146 2.940 17.307 3.785 1.00 0.00 C ATOM 946 CD1 TYR A 146 2.783 15.978 4.159 1.00 0.00 C ATOM 947 CD2 TYR A 146 2.888 18.277 4.778 1.00 0.00 C ATOM 948 CE1 TYR A 146 2.581 15.626 5.480 1.00 0.00 C ATOM 949 CE2 TYR A 146 2.687 17.935 6.102 1.00 0.00 C ATOM 950 CZ TYR A 146 2.534 16.608 6.447 1.00 0.00 C ATOM 951 OH TYR A 146 2.333 16.263 7.764 1.00 0.00 O ATOM 0 H TYR A 146 3.160 15.413 1.380 1.00 0.00 H new ATOM 0 HA TYR A 146 1.111 17.172 1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.114 17.277 2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.234 18.771 2.262 1.00 0.00 H new ATOM 0 HD1 TYR A 146 2.819 15.207 3.404 1.00 0.00 H new ATOM 0 HD2 TYR A 146 3.007 19.317 4.511 1.00 0.00 H new ATOM 0 HE1 TYR A 146 2.461 14.588 5.753 1.00 0.00 H new ATOM 0 HE2 TYR A 146 2.650 18.702 6.862 1.00 0.00 H new ATOM 0 HH TYR A 146 2.327 17.072 8.317 1.00 0.00 H new ATOM 961 N ASN A 147 2.836 18.060 -0.725 1.00 0.00 N ATOM 962 CA ASN A 147 2.812 18.917 -1.905 1.00 0.00 C ATOM 963 C ASN A 147 2.770 18.084 -3.182 1.00 0.00 C ATOM 964 O ASN A 147 2.963 16.869 -3.151 1.00 0.00 O ATOM 965 CB ASN A 147 4.038 19.833 -1.920 1.00 0.00 C ATOM 966 CG ASN A 147 3.770 21.146 -2.629 1.00 0.00 C ATOM 967 OD1 ASN A 147 4.454 21.496 -3.590 1.00 0.00 O ATOM 968 ND2 ASN A 147 2.770 21.880 -2.155 1.00 0.00 N ATOM 0 H ASN A 147 3.613 17.399 -0.700 1.00 0.00 H new ATOM 0 HA ASN A 147 1.910 19.528 -1.862 1.00 0.00 H new ATOM 0 HB2 ASN A 147 4.351 20.034 -0.895 1.00 0.00 H new ATOM 0 HB3 ASN A 147 4.865 19.320 -2.411 1.00 0.00 H new ATOM 0 HD21 ASN A 147 2.542 22.774 -2.590 1.00 0.00 H new ATOM 0 HD22 ASN A 147 2.229 21.550 -1.356 1.00 0.00 H new ATOM 975 N LYS A 148 2.516 18.747 -4.306 1.00 0.00 N ATOM 976 CA LYS A 148 2.449 18.070 -5.595 1.00 0.00 C ATOM 977 C LYS A 148 3.845 17.697 -6.086 1.00 0.00 C ATOM 978 O LYS A 148 4.142 16.522 -6.310 1.00 0.00 O ATOM 979 CB LYS A 148 1.756 18.962 -6.627 1.00 0.00 C ATOM 980 CG LYS A 148 1.643 18.326 -8.002 1.00 0.00 C ATOM 981 CD LYS A 148 0.721 19.123 -8.911 1.00 0.00 C ATOM 982 CE LYS A 148 0.071 18.236 -9.961 1.00 0.00 C ATOM 983 NZ LYS A 148 -0.820 19.012 -10.868 1.00 0.00 N ATOM 0 H LYS A 148 2.353 19.753 -4.349 1.00 0.00 H new ATOM 0 HA LYS A 148 1.870 17.155 -5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 148 0.757 19.211 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 148 2.306 19.899 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 148 2.632 18.258 -8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 148 1.267 17.308 -7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -0.051 19.607 -8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 148 1.287 19.915 -9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 148 0.845 17.741 -10.548 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -0.505 17.453 -9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -1.244 18.372 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -1.574 19.464 -10.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -0.265 19.743 -11.357 1.00 0.00 H new ATOM 997 N LEU A 149 4.697 18.702 -6.251 1.00 0.00 N ATOM 998 CA LEU A 149 6.063 18.479 -6.714 1.00 0.00 C ATOM 999 C LEU A 149 6.655 17.225 -6.079 1.00 0.00 C ATOM 1000 O LEU A 149 7.213 16.372 -6.769 1.00 0.00 O ATOM 1001 CB LEU A 149 6.937 19.691 -6.389 1.00 0.00 C ATOM 1002 CG LEU A 149 8.373 19.643 -6.912 1.00 0.00 C ATOM 1003 CD1 LEU A 149 8.399 19.844 -8.419 1.00 0.00 C ATOM 1004 CD2 LEU A 149 9.229 20.692 -6.217 1.00 0.00 C ATOM 0 H LEU A 149 4.467 19.679 -6.071 1.00 0.00 H new ATOM 0 HA LEU A 149 6.036 18.338 -7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.454 20.581 -6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 149 6.970 19.810 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 149 8.788 18.660 -6.690 1.00 0.00 H new ATOM 0 HD11 LEU A 149 9.429 19.807 -8.773 1.00 0.00 H new ATOM 0 HD12 LEU A 149 7.821 19.056 -8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 149 7.966 20.814 -8.664 1.00 0.00 H new ATOM 0 HD21 LEU A 149 10.248 20.643 -6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 149 8.816 21.683 -6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 149 9.237 20.502 -5.144 1.00 0.00 H new ATOM 1016 N ASP A 150 6.528 17.119 -4.761 1.00 0.00 N ATOM 1017 CA ASP A 150 7.048 15.968 -4.032 1.00 0.00 C ATOM 1018 C ASP A 150 6.419 14.674 -4.540 1.00 0.00 C ATOM 1019 O ASP A 150 7.095 13.655 -4.675 1.00 0.00 O ATOM 1020 CB ASP A 150 6.784 16.124 -2.534 1.00 0.00 C ATOM 1021 CG ASP A 150 7.402 17.386 -1.965 1.00 0.00 C ATOM 1022 OD1 ASP A 150 8.647 17.461 -1.904 1.00 0.00 O ATOM 1023 OD2 ASP A 150 6.641 18.299 -1.582 1.00 0.00 O ATOM 0 H ASP A 150 6.069 17.817 -4.175 1.00 0.00 H new ATOM 0 HA ASP A 150 8.124 15.919 -4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 150 5.709 16.138 -2.357 1.00 0.00 H new ATOM 0 HB3 ASP A 150 7.183 15.258 -2.006 1.00 0.00 H new ATOM 1028 N ALA A 151 5.121 14.724 -4.820 1.00 0.00 N ATOM 1029 CA ALA A 151 4.401 13.556 -5.314 1.00 0.00 C ATOM 1030 C ALA A 151 4.861 13.182 -6.719 1.00 0.00 C ATOM 1031 O ALA A 151 5.073 12.007 -7.019 1.00 0.00 O ATOM 1032 CB ALA A 151 2.902 13.815 -5.299 1.00 0.00 C ATOM 0 H ALA A 151 4.547 15.560 -4.713 1.00 0.00 H new ATOM 0 HA ALA A 151 4.620 12.718 -4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 151 2.377 12.935 -5.670 1.00 0.00 H new ATOM 0 HB2 ALA A 151 2.580 14.027 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 151 2.674 14.669 -5.936 1.00 0.00 H new ATOM 1038 N GLU A 152 5.012 14.187 -7.575 1.00 0.00 N ATOM 1039 CA GLU A 152 5.446 13.961 -8.949 1.00 0.00 C ATOM 1040 C GLU A 152 6.782 13.225 -8.984 1.00 0.00 C ATOM 1041 O GLU A 152 6.963 12.284 -9.755 1.00 0.00 O ATOM 1042 CB GLU A 152 5.564 15.292 -9.695 1.00 0.00 C ATOM 1043 CG GLU A 152 4.284 15.713 -10.397 1.00 0.00 C ATOM 1044 CD GLU A 152 4.441 17.009 -11.169 1.00 0.00 C ATOM 1045 OE1 GLU A 152 5.185 17.893 -10.697 1.00 0.00 O ATOM 1046 OE2 GLU A 152 3.820 17.138 -12.244 1.00 0.00 O ATOM 0 H GLU A 152 4.840 15.165 -7.342 1.00 0.00 H new ATOM 0 HA GLU A 152 4.697 13.341 -9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 152 5.854 16.070 -8.989 1.00 0.00 H new ATOM 0 HB3 GLU A 152 6.364 15.216 -10.431 1.00 0.00 H new ATOM 0 HG2 GLU A 152 3.972 14.923 -11.080 1.00 0.00 H new ATOM 0 HG3 GLU A 152 3.490 15.828 -9.659 1.00 0.00 H new ATOM 1053 N ASN A 153 7.714 13.662 -8.143 1.00 0.00 N ATOM 1054 CA ASN A 153 9.034 13.046 -8.078 1.00 0.00 C ATOM 1055 C ASN A 153 8.921 11.536 -7.892 1.00 0.00 C ATOM 1056 O ASN A 153 9.594 10.764 -8.574 1.00 0.00 O ATOM 1057 CB ASN A 153 9.847 13.653 -6.933 1.00 0.00 C ATOM 1058 CG ASN A 153 10.297 15.070 -7.231 1.00 0.00 C ATOM 1059 OD1 ASN A 153 10.360 15.482 -8.390 1.00 0.00 O ATOM 1060 ND2 ASN A 153 10.611 15.824 -6.184 1.00 0.00 N ATOM 0 H ASN A 153 7.579 14.440 -7.497 1.00 0.00 H new ATOM 0 HA ASN A 153 9.545 13.241 -9.021 1.00 0.00 H new ATOM 0 HB2 ASN A 153 9.247 13.649 -6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 153 10.721 13.030 -6.741 1.00 0.00 H new ATOM 0 HD21 ASN A 153 10.919 16.786 -6.323 1.00 0.00 H new ATOM 0 HD22 ASN A 153 10.544 15.441 -5.241 1.00 0.00 H new ATOM 1067 N ALA A 154 8.065 11.122 -6.963 1.00 0.00 N ATOM 1068 CA ALA A 154 7.861 9.706 -6.688 1.00 0.00 C ATOM 1069 C ALA A 154 7.158 9.016 -7.853 1.00 0.00 C ATOM 1070 O ALA A 154 7.623 7.991 -8.351 1.00 0.00 O ATOM 1071 CB ALA A 154 7.062 9.526 -5.406 1.00 0.00 C ATOM 0 H ALA A 154 7.502 11.748 -6.388 1.00 0.00 H new ATOM 0 HA ALA A 154 8.839 9.242 -6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 154 6.918 8.463 -5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 154 7.604 9.975 -4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 154 6.091 10.011 -5.511 1.00 0.00 H new ATOM 1077 N ILE A 155 6.035 9.584 -8.280 1.00 0.00 N ATOM 1078 CA ILE A 155 5.269 9.024 -9.386 1.00 0.00 C ATOM 1079 C ILE A 155 6.178 8.651 -10.551 1.00 0.00 C ATOM 1080 O ILE A 155 5.963 7.642 -11.223 1.00 0.00 O ATOM 1081 CB ILE A 155 4.195 10.009 -9.883 1.00 0.00 C ATOM 1082 CG1 ILE A 155 3.167 10.275 -8.781 1.00 0.00 C ATOM 1083 CG2 ILE A 155 3.514 9.466 -11.130 1.00 0.00 C ATOM 1084 CD1 ILE A 155 2.217 11.408 -9.101 1.00 0.00 C ATOM 0 H ILE A 155 5.636 10.432 -7.877 1.00 0.00 H new ATOM 0 HA ILE A 155 4.780 8.126 -9.008 1.00 0.00 H new ATOM 0 HB ILE A 155 4.678 10.952 -10.139 1.00 0.00 H new ATOM 0 HG12 ILE A 155 2.590 9.367 -8.606 1.00 0.00 H new ATOM 0 HG13 ILE A 155 3.692 10.503 -7.853 1.00 0.00 H new ATOM 0 HG21 ILE A 155 2.757 10.174 -11.469 1.00 0.00 H new ATOM 0 HG22 ILE A 155 4.255 9.323 -11.916 1.00 0.00 H new ATOM 0 HG23 ILE A 155 3.041 8.512 -10.900 1.00 0.00 H new ATOM 0 HD11 ILE A 155 1.517 11.540 -8.276 1.00 0.00 H new ATOM 0 HD12 ILE A 155 2.784 12.328 -9.247 1.00 0.00 H new ATOM 0 HD13 ILE A 155 1.665 11.174 -10.011 1.00 0.00 H new ATOM 1096 N VAL A 156 7.198 9.470 -10.785 1.00 0.00 N ATOM 1097 CA VAL A 156 8.143 9.225 -11.868 1.00 0.00 C ATOM 1098 C VAL A 156 9.269 8.302 -11.416 1.00 0.00 C ATOM 1099 O VAL A 156 9.521 7.265 -12.031 1.00 0.00 O ATOM 1100 CB VAL A 156 8.751 10.540 -12.391 1.00 0.00 C ATOM 1101 CG1 VAL A 156 9.785 10.259 -13.471 1.00 0.00 C ATOM 1102 CG2 VAL A 156 7.659 11.461 -12.914 1.00 0.00 C ATOM 0 H VAL A 156 7.391 10.309 -10.239 1.00 0.00 H new ATOM 0 HA VAL A 156 7.585 8.746 -12.673 1.00 0.00 H new ATOM 0 HB VAL A 156 9.253 11.042 -11.564 1.00 0.00 H new ATOM 0 HG11 VAL A 156 10.203 11.200 -13.828 1.00 0.00 H new ATOM 0 HG12 VAL A 156 10.583 9.641 -13.059 1.00 0.00 H new ATOM 0 HG13 VAL A 156 9.311 9.735 -14.301 1.00 0.00 H new ATOM 0 HG21 VAL A 156 8.107 12.385 -13.279 1.00 0.00 H new ATOM 0 HG22 VAL A 156 7.127 10.969 -13.728 1.00 0.00 H new ATOM 0 HG23 VAL A 156 6.960 11.690 -12.110 1.00 0.00 H new ATOM 1112 N HIS A 157 9.945 8.685 -10.337 1.00 0.00 N ATOM 1113 CA HIS A 157 11.044 7.891 -9.802 1.00 0.00 C ATOM 1114 C HIS A 157 10.580 6.477 -9.466 1.00 0.00 C ATOM 1115 O HIS A 157 11.083 5.500 -10.020 1.00 0.00 O ATOM 1116 CB HIS A 157 11.624 8.559 -8.555 1.00 0.00 C ATOM 1117 CG HIS A 157 12.612 9.642 -8.860 1.00 0.00 C ATOM 1118 ND1 HIS A 157 13.957 9.536 -8.575 1.00 0.00 N ATOM 1119 CD2 HIS A 157 12.445 10.858 -9.432 1.00 0.00 C ATOM 1120 CE1 HIS A 157 14.574 10.641 -8.956 1.00 0.00 C ATOM 1121 NE2 HIS A 157 13.679 11.459 -9.480 1.00 0.00 N ATOM 0 H HIS A 157 9.750 9.540 -9.817 1.00 0.00 H new ATOM 0 HA HIS A 157 11.819 7.828 -10.566 1.00 0.00 H new ATOM 0 HB2 HIS A 157 10.809 8.978 -7.965 1.00 0.00 H new ATOM 0 HB3 HIS A 157 12.107 7.801 -7.938 1.00 0.00 H new ATOM 0 HD2 HIS A 157 11.514 11.277 -9.785 1.00 0.00 H new ATOM 0 HE1 HIS A 157 15.631 10.841 -8.856 1.00 0.00 H new ATOM 0 HE2 HIS A 157 13.873 12.386 -9.859 1.00 0.00 H new ATOM 1130 N MET A 158 9.618 6.376 -8.554 1.00 0.00 N ATOM 1131 CA MET A 158 9.085 5.081 -8.145 1.00 0.00 C ATOM 1132 C MET A 158 8.469 4.347 -9.332 1.00 0.00 C ATOM 1133 O MET A 158 8.607 3.132 -9.462 1.00 0.00 O ATOM 1134 CB MET A 158 8.039 5.261 -7.043 1.00 0.00 C ATOM 1135 CG MET A 158 8.608 5.828 -5.753 1.00 0.00 C ATOM 1136 SD MET A 158 10.036 4.902 -5.157 1.00 0.00 S ATOM 1137 CE MET A 158 9.287 3.314 -4.805 1.00 0.00 C ATOM 0 H MET A 158 9.192 7.175 -8.084 1.00 0.00 H new ATOM 0 HA MET A 158 9.910 4.482 -7.759 1.00 0.00 H new ATOM 0 HB2 MET A 158 7.252 5.922 -7.405 1.00 0.00 H new ATOM 0 HB3 MET A 158 7.575 4.298 -6.833 1.00 0.00 H new ATOM 0 HG2 MET A 158 8.895 6.867 -5.913 1.00 0.00 H new ATOM 0 HG3 MET A 158 7.833 5.826 -4.987 1.00 0.00 H new ATOM 0 HE1 MET A 158 9.651 2.945 -3.846 1.00 0.00 H new ATOM 0 HE2 MET A 158 8.203 3.424 -4.764 1.00 0.00 H new ATOM 0 HE3 MET A 158 9.550 2.605 -5.590 1.00 0.00 H new ATOM 1147 N GLY A 159 7.789 5.095 -10.197 1.00 0.00 N ATOM 1148 CA GLY A 159 7.162 4.497 -11.361 1.00 0.00 C ATOM 1149 C GLY A 159 7.996 3.381 -11.960 1.00 0.00 C ATOM 1150 O GLY A 159 8.892 3.630 -12.764 1.00 0.00 O ATOM 0 H GLY A 159 7.662 6.103 -10.112 1.00 0.00 H new ATOM 0 HA2 GLY A 159 6.184 4.106 -11.082 1.00 0.00 H new ATOM 0 HA3 GLY A 159 6.995 5.266 -12.115 1.00 0.00 H new ATOM 1154 N GLY A 160 7.700 2.146 -11.565 1.00 0.00 N ATOM 1155 CA GLY A 160 8.439 1.007 -12.076 1.00 0.00 C ATOM 1156 C GLY A 160 9.619 0.640 -11.199 1.00 0.00 C ATOM 1157 O GLY A 160 9.989 -0.530 -11.104 1.00 0.00 O ATOM 0 H GLY A 160 6.962 1.915 -10.900 1.00 0.00 H new ATOM 0 HA2 GLY A 160 7.770 0.150 -12.156 1.00 0.00 H new ATOM 0 HA3 GLY A 160 8.794 1.230 -13.082 1.00 0.00 H new ATOM 1161 N GLN A 161 10.211 1.641 -10.557 1.00 0.00 N ATOM 1162 CA GLN A 161 11.358 1.417 -9.684 1.00 0.00 C ATOM 1163 C GLN A 161 11.233 0.084 -8.953 1.00 0.00 C ATOM 1164 O GLN A 161 10.128 -0.401 -8.711 1.00 0.00 O ATOM 1165 CB GLN A 161 11.487 2.557 -8.673 1.00 0.00 C ATOM 1166 CG GLN A 161 12.726 2.458 -7.798 1.00 0.00 C ATOM 1167 CD GLN A 161 14.012 2.559 -8.595 1.00 0.00 C ATOM 1168 OE1 GLN A 161 14.704 1.562 -8.808 1.00 0.00 O ATOM 1169 NE2 GLN A 161 14.339 3.766 -9.041 1.00 0.00 N ATOM 0 H GLN A 161 9.916 2.615 -10.624 1.00 0.00 H new ATOM 0 HA GLN A 161 12.254 1.388 -10.304 1.00 0.00 H new ATOM 0 HB2 GLN A 161 11.506 3.506 -9.209 1.00 0.00 H new ATOM 0 HB3 GLN A 161 10.603 2.568 -8.036 1.00 0.00 H new ATOM 0 HG2 GLN A 161 12.703 3.251 -7.051 1.00 0.00 H new ATOM 0 HG3 GLN A 161 12.711 1.511 -7.258 1.00 0.00 H new ATOM 0 HE21 GLN A 161 13.736 4.564 -8.841 1.00 0.00 H new ATOM 0 HE22 GLN A 161 15.193 3.895 -9.584 1.00 0.00 H new ATOM 1178 N TRP A 162 12.372 -0.502 -8.604 1.00 0.00 N ATOM 1179 CA TRP A 162 12.390 -1.780 -7.900 1.00 0.00 C ATOM 1180 C TRP A 162 12.467 -1.569 -6.392 1.00 0.00 C ATOM 1181 O TRP A 162 13.555 -1.479 -5.822 1.00 0.00 O ATOM 1182 CB TRP A 162 13.573 -2.628 -8.370 1.00 0.00 C ATOM 1183 CG TRP A 162 13.467 -3.053 -9.804 1.00 0.00 C ATOM 1184 CD1 TRP A 162 13.921 -2.371 -10.897 1.00 0.00 C ATOM 1185 CD2 TRP A 162 12.867 -4.255 -10.299 1.00 0.00 C ATOM 1186 NE1 TRP A 162 13.639 -3.077 -12.041 1.00 0.00 N ATOM 1187 CE2 TRP A 162 12.994 -4.237 -11.701 1.00 0.00 C ATOM 1188 CE3 TRP A 162 12.237 -5.346 -9.693 1.00 0.00 C ATOM 1189 CZ2 TRP A 162 12.513 -5.267 -12.505 1.00 0.00 C ATOM 1190 CZ3 TRP A 162 11.760 -6.367 -10.493 1.00 0.00 C ATOM 1191 CH2 TRP A 162 11.900 -6.322 -11.886 1.00 0.00 C ATOM 0 H TRP A 162 13.295 -0.113 -8.797 1.00 0.00 H new ATOM 0 HA TRP A 162 11.463 -2.305 -8.128 1.00 0.00 H new ATOM 0 HB2 TRP A 162 14.494 -2.061 -8.234 1.00 0.00 H new ATOM 0 HB3 TRP A 162 13.648 -3.515 -7.740 1.00 0.00 H new ATOM 0 HD1 TRP A 162 14.427 -1.417 -10.866 1.00 0.00 H new ATOM 0 HE1 TRP A 162 13.872 -2.785 -12.990 1.00 0.00 H new ATOM 0 HE3 TRP A 162 12.125 -5.390 -8.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 12.620 -5.234 -13.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 11.271 -7.214 -10.036 1.00 0.00 H new ATOM 0 HH2 TRP A 162 11.517 -7.136 -12.483 1.00 0.00 H new ATOM 1202 N LEU A 163 11.306 -1.493 -5.750 1.00 0.00 N ATOM 1203 CA LEU A 163 11.242 -1.294 -4.307 1.00 0.00 C ATOM 1204 C LEU A 163 11.294 -2.628 -3.570 1.00 0.00 C ATOM 1205 O LEU A 163 12.287 -2.951 -2.919 1.00 0.00 O ATOM 1206 CB LEU A 163 9.964 -0.541 -3.932 1.00 0.00 C ATOM 1207 CG LEU A 163 9.929 0.066 -2.529 1.00 0.00 C ATOM 1208 CD1 LEU A 163 8.681 0.916 -2.346 1.00 0.00 C ATOM 1209 CD2 LEU A 163 9.992 -1.028 -1.473 1.00 0.00 C ATOM 0 H LEU A 163 10.397 -1.566 -6.206 1.00 0.00 H new ATOM 0 HA LEU A 163 12.107 -0.701 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 163 9.812 0.259 -4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 163 9.121 -1.225 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 163 10.801 0.709 -2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 163 8.673 1.340 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 163 8.679 1.722 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 163 7.795 0.296 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 163 9.966 -0.578 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 163 9.139 -1.697 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 163 10.916 -1.594 -1.590 1.00 0.00 H new ATOM 1221 N GLY A 164 10.218 -3.402 -3.679 1.00 0.00 N ATOM 1222 CA GLY A 164 10.163 -4.693 -3.020 1.00 0.00 C ATOM 1223 C GLY A 164 10.010 -5.839 -4.001 1.00 0.00 C ATOM 1224 O GLY A 164 9.005 -5.932 -4.705 1.00 0.00 O ATOM 0 H GLY A 164 9.384 -3.157 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 164 11.072 -4.838 -2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 164 9.328 -4.705 -2.319 1.00 0.00 H new ATOM 1228 N GLY A 165 11.010 -6.713 -4.048 1.00 0.00 N ATOM 1229 CA GLY A 165 10.963 -7.846 -4.955 1.00 0.00 C ATOM 1230 C GLY A 165 10.678 -7.432 -6.385 1.00 0.00 C ATOM 1231 O GLY A 165 11.598 -7.142 -7.150 1.00 0.00 O ATOM 0 H GLY A 165 11.852 -6.657 -3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 165 11.914 -8.378 -4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 165 10.194 -8.543 -4.622 1.00 0.00 H new ATOM 1235 N ARG A 166 9.399 -7.405 -6.748 1.00 0.00 N ATOM 1236 CA ARG A 166 8.995 -7.027 -8.097 1.00 0.00 C ATOM 1237 C ARG A 166 8.905 -5.510 -8.231 1.00 0.00 C ATOM 1238 O ARG A 166 9.055 -4.781 -7.251 1.00 0.00 O ATOM 1239 CB ARG A 166 7.648 -7.662 -8.445 1.00 0.00 C ATOM 1240 CG ARG A 166 7.690 -9.179 -8.516 1.00 0.00 C ATOM 1241 CD ARG A 166 7.375 -9.808 -7.168 1.00 0.00 C ATOM 1242 NE ARG A 166 7.541 -11.259 -7.188 1.00 0.00 N ATOM 1243 CZ ARG A 166 8.710 -11.867 -7.020 1.00 0.00 C ATOM 1244 NH1 ARG A 166 9.810 -11.154 -6.820 1.00 0.00 N ATOM 1245 NH2 ARG A 166 8.781 -13.192 -7.052 1.00 0.00 N ATOM 0 H ARG A 166 8.625 -7.640 -6.126 1.00 0.00 H new ATOM 0 HA ARG A 166 9.751 -7.392 -8.792 1.00 0.00 H new ATOM 0 HB2 ARG A 166 6.911 -7.362 -7.700 1.00 0.00 H new ATOM 0 HB3 ARG A 166 7.309 -7.271 -9.404 1.00 0.00 H new ATOM 0 HG2 ARG A 166 6.973 -9.530 -9.259 1.00 0.00 H new ATOM 0 HG3 ARG A 166 8.677 -9.502 -8.848 1.00 0.00 H new ATOM 0 HD2 ARG A 166 8.027 -9.379 -6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 166 6.351 -9.564 -6.885 1.00 0.00 H new ATOM 0 HE ARG A 166 6.714 -11.837 -7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 166 9.760 -10.136 -6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 166 10.706 -11.624 -6.691 1.00 0.00 H new ATOM 0 HH21 ARG A 166 7.937 -13.744 -7.206 1.00 0.00 H new ATOM 0 HH22 ARG A 166 9.679 -13.658 -6.923 1.00 0.00 H new ATOM 1259 N GLN A 167 8.661 -5.043 -9.452 1.00 0.00 N ATOM 1260 CA GLN A 167 8.552 -3.613 -9.714 1.00 0.00 C ATOM 1261 C GLN A 167 7.217 -3.068 -9.219 1.00 0.00 C ATOM 1262 O GLN A 167 6.328 -3.830 -8.836 1.00 0.00 O ATOM 1263 CB GLN A 167 8.707 -3.334 -11.210 1.00 0.00 C ATOM 1264 CG GLN A 167 10.147 -3.395 -11.695 1.00 0.00 C ATOM 1265 CD GLN A 167 10.326 -2.782 -13.070 1.00 0.00 C ATOM 1266 OE1 GLN A 167 9.564 -3.068 -13.994 1.00 0.00 O ATOM 1267 NE2 GLN A 167 11.337 -1.933 -13.212 1.00 0.00 N ATOM 0 H GLN A 167 8.535 -5.634 -10.274 1.00 0.00 H new ATOM 0 HA GLN A 167 9.352 -3.109 -9.172 1.00 0.00 H new ATOM 0 HB2 GLN A 167 8.113 -4.057 -11.769 1.00 0.00 H new ATOM 0 HB3 GLN A 167 8.299 -2.348 -11.431 1.00 0.00 H new ATOM 0 HG2 GLN A 167 10.788 -2.875 -10.983 1.00 0.00 H new ATOM 0 HG3 GLN A 167 10.475 -4.434 -11.719 1.00 0.00 H new ATOM 0 HE21 GLN A 167 11.944 -1.725 -12.419 1.00 0.00 H new ATOM 0 HE22 GLN A 167 11.507 -1.489 -14.114 1.00 0.00 H new ATOM 1276 N ILE A 168 7.082 -1.746 -9.229 1.00 0.00 N ATOM 1277 CA ILE A 168 5.855 -1.101 -8.781 1.00 0.00 C ATOM 1278 C ILE A 168 5.348 -0.104 -9.818 1.00 0.00 C ATOM 1279 O ILE A 168 6.063 0.249 -10.756 1.00 0.00 O ATOM 1280 CB ILE A 168 6.059 -0.370 -7.441 1.00 0.00 C ATOM 1281 CG1 ILE A 168 7.261 0.573 -7.527 1.00 0.00 C ATOM 1282 CG2 ILE A 168 6.246 -1.375 -6.314 1.00 0.00 C ATOM 1283 CD1 ILE A 168 7.275 1.633 -6.448 1.00 0.00 C ATOM 0 H ILE A 168 7.808 -1.101 -9.543 1.00 0.00 H new ATOM 0 HA ILE A 168 5.115 -1.890 -8.646 1.00 0.00 H new ATOM 0 HB ILE A 168 5.170 0.224 -7.228 1.00 0.00 H new ATOM 0 HG12 ILE A 168 8.178 -0.013 -7.461 1.00 0.00 H new ATOM 0 HG13 ILE A 168 7.262 1.059 -8.503 1.00 0.00 H new ATOM 0 HG21 ILE A 168 6.389 -0.844 -5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 168 5.363 -2.009 -6.242 1.00 0.00 H new ATOM 0 HG23 ILE A 168 7.120 -1.993 -6.519 1.00 0.00 H new ATOM 0 HD11 ILE A 168 8.154 2.265 -6.570 1.00 0.00 H new ATOM 0 HD12 ILE A 168 6.375 2.244 -6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 168 7.305 1.155 -5.469 1.00 0.00 H new ATOM 1295 N ARG A 169 4.111 0.348 -9.642 1.00 0.00 N ATOM 1296 CA ARG A 169 3.509 1.305 -10.562 1.00 0.00 C ATOM 1297 C ARG A 169 3.088 2.575 -9.827 1.00 0.00 C ATOM 1298 O ARG A 169 3.018 2.600 -8.598 1.00 0.00 O ATOM 1299 CB ARG A 169 2.298 0.682 -11.259 1.00 0.00 C ATOM 1300 CG ARG A 169 2.645 -0.040 -12.551 1.00 0.00 C ATOM 1301 CD ARG A 169 2.842 0.936 -13.700 1.00 0.00 C ATOM 1302 NE ARG A 169 2.697 0.287 -15.000 1.00 0.00 N ATOM 1303 CZ ARG A 169 1.526 0.084 -15.594 1.00 0.00 C ATOM 1304 NH1 ARG A 169 0.404 0.477 -15.007 1.00 0.00 N ATOM 1305 NH2 ARG A 169 1.476 -0.513 -16.778 1.00 0.00 N ATOM 0 H ARG A 169 3.506 0.067 -8.870 1.00 0.00 H new ATOM 0 HA ARG A 169 4.255 1.569 -11.311 1.00 0.00 H new ATOM 0 HB2 ARG A 169 1.818 -0.021 -10.577 1.00 0.00 H new ATOM 0 HB3 ARG A 169 1.570 1.465 -11.474 1.00 0.00 H new ATOM 0 HG2 ARG A 169 3.554 -0.625 -12.409 1.00 0.00 H new ATOM 0 HG3 ARG A 169 1.850 -0.742 -12.801 1.00 0.00 H new ATOM 0 HD2 ARG A 169 2.117 1.746 -13.616 1.00 0.00 H new ATOM 0 HD3 ARG A 169 3.832 1.386 -13.628 1.00 0.00 H new ATOM 0 HE ARG A 169 3.541 -0.028 -15.478 1.00 0.00 H new ATOM 0 HH11 ARG A 169 0.438 0.937 -14.097 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -0.494 0.320 -15.465 1.00 0.00 H new ATOM 0 HH21 ARG A 169 2.337 -0.817 -17.233 1.00 0.00 H new ATOM 0 HH22 ARG A 169 0.577 -0.668 -17.233 1.00 0.00 H new ATOM 1319 N THR A 170 2.808 3.628 -10.588 1.00 0.00 N ATOM 1320 CA THR A 170 2.396 4.901 -10.011 1.00 0.00 C ATOM 1321 C THR A 170 1.466 5.657 -10.953 1.00 0.00 C ATOM 1322 O THR A 170 1.782 5.853 -12.126 1.00 0.00 O ATOM 1323 CB THR A 170 3.611 5.789 -9.684 1.00 0.00 C ATOM 1324 OG1 THR A 170 4.598 5.667 -10.714 1.00 0.00 O ATOM 1325 CG2 THR A 170 4.218 5.404 -8.344 1.00 0.00 C ATOM 0 H THR A 170 2.859 3.624 -11.607 1.00 0.00 H new ATOM 0 HA THR A 170 1.864 4.672 -9.088 1.00 0.00 H new ATOM 0 HB THR A 170 3.272 6.823 -9.627 1.00 0.00 H new ATOM 0 HG1 THR A 170 4.922 6.557 -10.963 1.00 0.00 H new ATOM 0 HG21 THR A 170 5.074 6.045 -8.135 1.00 0.00 H new ATOM 0 HG22 THR A 170 3.473 5.527 -7.558 1.00 0.00 H new ATOM 0 HG23 THR A 170 4.543 4.364 -8.377 1.00 0.00 H new ATOM 1333 N ASN A 171 0.319 6.081 -10.432 1.00 0.00 N ATOM 1334 CA ASN A 171 -0.656 6.817 -11.228 1.00 0.00 C ATOM 1335 C ASN A 171 -1.356 7.879 -10.385 1.00 0.00 C ATOM 1336 O ASN A 171 -1.398 7.784 -9.158 1.00 0.00 O ATOM 1337 CB ASN A 171 -1.690 5.857 -11.820 1.00 0.00 C ATOM 1338 CG ASN A 171 -1.155 5.099 -13.019 1.00 0.00 C ATOM 1339 OD1 ASN A 171 -0.769 3.935 -12.910 1.00 0.00 O ATOM 1340 ND2 ASN A 171 -1.131 5.757 -14.172 1.00 0.00 N ATOM 0 H ASN A 171 0.042 5.927 -9.462 1.00 0.00 H new ATOM 0 HA ASN A 171 -0.125 7.314 -12.039 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -2.003 5.147 -11.054 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -2.576 6.419 -12.115 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -0.783 5.298 -15.014 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -1.461 6.721 -14.216 1.00 0.00 H new ATOM 1347 N TRP A 172 -1.903 8.888 -11.052 1.00 0.00 N ATOM 1348 CA TRP A 172 -2.602 9.969 -10.364 1.00 0.00 C ATOM 1349 C TRP A 172 -4.026 9.557 -10.009 1.00 0.00 C ATOM 1350 O TRP A 172 -4.890 9.461 -10.881 1.00 0.00 O ATOM 1351 CB TRP A 172 -2.623 11.226 -11.235 1.00 0.00 C ATOM 1352 CG TRP A 172 -1.313 11.953 -11.261 1.00 0.00 C ATOM 1353 CD1 TRP A 172 -0.462 12.071 -12.322 1.00 0.00 C ATOM 1354 CD2 TRP A 172 -0.704 12.661 -10.175 1.00 0.00 C ATOM 1355 NE1 TRP A 172 0.639 12.809 -11.962 1.00 0.00 N ATOM 1356 CE2 TRP A 172 0.514 13.184 -10.650 1.00 0.00 C ATOM 1357 CE3 TRP A 172 -1.071 12.905 -8.849 1.00 0.00 C ATOM 1358 CZ2 TRP A 172 1.366 13.934 -9.844 1.00 0.00 C ATOM 1359 CZ3 TRP A 172 -0.224 13.650 -8.051 1.00 0.00 C ATOM 1360 CH2 TRP A 172 0.982 14.158 -8.550 1.00 0.00 C ATOM 0 H TRP A 172 -1.877 8.981 -12.067 1.00 0.00 H new ATOM 0 HA TRP A 172 -2.066 10.185 -9.440 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -2.897 10.949 -12.253 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -3.397 11.900 -10.869 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -0.630 11.646 -13.301 1.00 0.00 H new ATOM 0 HE1 TRP A 172 1.423 13.040 -12.572 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -1.999 12.518 -8.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 2.297 14.325 -10.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -0.497 13.844 -7.024 1.00 0.00 H new ATOM 0 HH2 TRP A 172 1.621 14.738 -7.901 1.00 0.00 H new ATOM 1371 N ALA A 173 -4.265 9.314 -8.725 1.00 0.00 N ATOM 1372 CA ALA A 173 -5.586 8.915 -8.256 1.00 0.00 C ATOM 1373 C ALA A 173 -6.435 10.132 -7.905 1.00 0.00 C ATOM 1374 O ALA A 173 -6.567 10.495 -6.735 1.00 0.00 O ATOM 1375 CB ALA A 173 -5.462 7.991 -7.053 1.00 0.00 C ATOM 0 H ALA A 173 -3.561 9.386 -7.991 1.00 0.00 H new ATOM 0 HA ALA A 173 -6.084 8.378 -9.063 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -6.456 7.701 -6.713 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -4.900 7.100 -7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -4.940 8.509 -6.248 1.00 0.00 H new