USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 HIS : no HD1:sc=-0.00662 K(o=1.7,f=0.69) USER MOD Set 1.2: A 98 HIS : no HD1:sc= 0.264 K(o=1.7,f=-0.64) USER MOD Set 1.3: A 124 SER OG : rot -99:sc= 1.24 USER MOD Set 1.4: A 144 SER OG : rot 77:sc= 0.221 USER MOD Single : A 105 SER OG : rot -127:sc= 1.1 USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.0644 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0693 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ -157:sc= 0.596 (180deg=0.352) USER MOD Single : A 132 MET CE :methyl -155:sc= -0.208 (180deg=-0.965) USER MOD Single : A 134 THR OG1 : rot -102:sc= 0.983 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 180:sc=-0.000874 USER MOD Single : A 147 ASN : amide:sc= -0.0677 X(o=-0.068,f=0) USER MOD Single : A 148 LYS NZ :NH3+ 155:sc= 2 (180deg=1.11) USER MOD Single : A 153 ASN : amide:sc= -0.0775 K(o=-0.078,f=-1.2!) USER MOD Single : A 156 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.0091) USER MOD Single : A 157 GLN : amide:sc= -0.747 K(o=-0.75,f=0) USER MOD Single : A 158 MET CE :methyl -149:sc= -0.077 (180deg=-1.36) USER MOD Single : A 161 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.36) USER MOD Single : A 167 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 170 THR OG1 : rot 100:sc= 0.0114 USER MOD Single : A 171 ASN : amide:sc= 0.342 K(o=0.34,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 1.319 13.503 -6.677 1.00 0.00 N ATOM 179 CA HIS A 96 0.749 12.204 -7.018 1.00 0.00 C ATOM 180 C HIS A 96 -0.508 11.983 -6.174 1.00 0.00 C ATOM 181 O HIS A 96 -0.800 12.744 -5.245 1.00 0.00 O ATOM 182 CB HIS A 96 1.795 11.095 -6.818 1.00 0.00 C ATOM 183 CG HIS A 96 2.899 11.052 -7.855 1.00 0.00 C ATOM 184 ND1 HIS A 96 3.824 10.018 -7.966 1.00 0.00 N ATOM 185 CD2 HIS A 96 3.166 11.975 -8.832 1.00 0.00 C ATOM 186 CE1 HIS A 96 4.619 10.324 -8.997 1.00 0.00 C ATOM 187 NE2 HIS A 96 4.252 11.498 -9.538 1.00 0.00 N ATOM 0 HA HIS A 96 0.462 12.176 -8.069 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.248 11.218 -5.834 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.284 10.132 -6.815 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.631 12.896 -9.014 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.439 9.714 -9.345 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.698 11.957 -10.332 1.00 0.00 H new ATOM 195 N PHE A 97 -1.250 10.926 -6.479 1.00 0.00 N ATOM 196 CA PHE A 97 -2.490 10.563 -5.817 1.00 0.00 C ATOM 197 C PHE A 97 -2.297 9.173 -5.225 1.00 0.00 C ATOM 198 O PHE A 97 -2.322 8.188 -5.961 1.00 0.00 O ATOM 199 CB PHE A 97 -3.616 10.675 -6.859 1.00 0.00 C ATOM 200 CG PHE A 97 -3.744 12.074 -7.442 1.00 0.00 C ATOM 201 CD1 PHE A 97 -4.519 13.053 -6.791 1.00 0.00 C ATOM 202 CD2 PHE A 97 -3.032 12.420 -8.606 1.00 0.00 C ATOM 203 CE1 PHE A 97 -4.604 14.354 -7.318 1.00 0.00 C ATOM 204 CE2 PHE A 97 -3.109 13.722 -9.129 1.00 0.00 C ATOM 205 CZ PHE A 97 -3.902 14.686 -8.489 1.00 0.00 C ATOM 0 H PHE A 97 -0.993 10.276 -7.222 1.00 0.00 H new ATOM 0 HA PHE A 97 -2.766 11.218 -4.990 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.430 9.966 -7.666 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.562 10.391 -6.397 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.050 12.804 -5.884 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.422 11.679 -9.101 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.209 15.099 -6.822 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.559 13.980 -10.022 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.973 15.684 -8.896 1.00 0.00 H new ATOM 215 N HIS A 98 -2.039 9.093 -3.915 1.00 0.00 N ATOM 216 CA HIS A 98 -1.815 7.813 -3.249 1.00 0.00 C ATOM 217 C HIS A 98 -3.121 7.166 -2.784 1.00 0.00 C ATOM 218 O HIS A 98 -4.017 7.834 -2.257 1.00 0.00 O ATOM 219 CB HIS A 98 -0.831 7.920 -2.074 1.00 0.00 C ATOM 220 CG HIS A 98 0.431 8.706 -2.329 1.00 0.00 C ATOM 221 ND1 HIS A 98 1.661 8.140 -2.659 1.00 0.00 N ATOM 222 CD2 HIS A 98 0.571 10.063 -2.240 1.00 0.00 C ATOM 223 CE1 HIS A 98 2.512 9.171 -2.788 1.00 0.00 C ATOM 224 NE2 HIS A 98 1.886 10.337 -2.551 1.00 0.00 N ATOM 0 H HIS A 98 -1.981 9.903 -3.298 1.00 0.00 H new ATOM 0 HA HIS A 98 -1.364 7.169 -4.003 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -1.352 8.374 -1.231 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -0.551 6.912 -1.770 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -0.195 10.778 -1.978 1.00 0.00 H new ATOM 0 HE1 HIS A 98 3.556 9.076 -3.047 1.00 0.00 H new ATOM 0 HE2 HIS A 98 2.310 11.264 -2.594 1.00 0.00 H new ATOM 232 N VAL A 99 -3.176 5.844 -2.902 1.00 0.00 N ATOM 233 CA VAL A 99 -4.273 4.967 -2.553 1.00 0.00 C ATOM 234 C VAL A 99 -3.748 3.886 -1.598 1.00 0.00 C ATOM 235 O VAL A 99 -2.601 3.442 -1.670 1.00 0.00 O ATOM 236 CB VAL A 99 -4.845 4.338 -3.847 1.00 0.00 C ATOM 237 CG1 VAL A 99 -5.975 3.353 -3.543 1.00 0.00 C ATOM 238 CG2 VAL A 99 -5.387 5.365 -4.840 1.00 0.00 C ATOM 0 H VAL A 99 -2.385 5.321 -3.276 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.071 5.518 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.994 3.828 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.351 2.932 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.598 2.551 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.782 3.873 -3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.771 4.851 -5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.191 5.934 -4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.587 6.043 -5.135 1.00 0.00 H new ATOM 248 N PHE A 100 -4.592 3.522 -0.640 1.00 0.00 N ATOM 249 CA PHE A 100 -4.415 2.505 0.378 1.00 0.00 C ATOM 250 C PHE A 100 -5.023 1.208 -0.141 1.00 0.00 C ATOM 251 O PHE A 100 -6.123 1.231 -0.704 1.00 0.00 O ATOM 252 CB PHE A 100 -5.148 2.959 1.658 1.00 0.00 C ATOM 253 CG PHE A 100 -5.530 1.837 2.608 1.00 0.00 C ATOM 254 CD1 PHE A 100 -4.653 1.328 3.583 1.00 0.00 C ATOM 255 CD2 PHE A 100 -6.809 1.266 2.464 1.00 0.00 C ATOM 256 CE1 PHE A 100 -5.050 0.234 4.378 1.00 0.00 C ATOM 257 CE2 PHE A 100 -7.213 0.192 3.267 1.00 0.00 C ATOM 258 CZ PHE A 100 -6.327 -0.340 4.214 1.00 0.00 C ATOM 0 H PHE A 100 -5.501 3.977 -0.552 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.360 2.352 0.604 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.513 3.667 2.191 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.052 3.496 1.371 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.679 1.774 3.722 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.488 1.662 1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.372 -0.167 5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.203 -0.225 3.157 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.622 -1.187 4.816 1.00 0.00 H new ATOM 268 N VAL A 101 -4.321 0.094 0.045 1.00 0.00 N ATOM 269 CA VAL A 101 -4.749 -1.243 -0.331 1.00 0.00 C ATOM 270 C VAL A 101 -4.552 -2.053 0.948 1.00 0.00 C ATOM 271 O VAL A 101 -3.571 -1.855 1.669 1.00 0.00 O ATOM 272 CB VAL A 101 -3.964 -1.860 -1.512 1.00 0.00 C ATOM 273 CG1 VAL A 101 -4.741 -3.065 -2.072 1.00 0.00 C ATOM 274 CG2 VAL A 101 -3.658 -0.927 -2.687 1.00 0.00 C ATOM 0 H VAL A 101 -3.399 0.103 0.481 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.775 -1.232 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.001 -2.127 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.188 -3.500 -2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.866 -3.813 -1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.721 -2.737 -2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.105 -1.473 -3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.592 -0.557 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.059 -0.086 -2.337 1.00 0.00 H new ATOM 284 N GLY A 102 -5.458 -2.963 1.265 1.00 0.00 N ATOM 285 CA GLY A 102 -5.326 -3.771 2.461 1.00 0.00 C ATOM 286 C GLY A 102 -5.989 -5.108 2.256 1.00 0.00 C ATOM 287 O GLY A 102 -6.637 -5.328 1.226 1.00 0.00 O ATOM 0 H GLY A 102 -6.291 -3.159 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.272 -3.912 2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.779 -3.257 3.309 1.00 0.00 H new ATOM 291 N ASP A 103 -5.850 -5.960 3.272 1.00 0.00 N ATOM 292 CA ASP A 103 -6.424 -7.300 3.314 1.00 0.00 C ATOM 293 C ASP A 103 -5.802 -8.241 2.280 1.00 0.00 C ATOM 294 O ASP A 103 -6.408 -9.256 1.962 1.00 0.00 O ATOM 295 CB ASP A 103 -7.949 -7.175 3.149 1.00 0.00 C ATOM 296 CG ASP A 103 -8.767 -8.060 4.067 1.00 0.00 C ATOM 297 OD1 ASP A 103 -8.564 -7.983 5.298 1.00 0.00 O ATOM 298 OD2 ASP A 103 -9.803 -8.600 3.626 1.00 0.00 O ATOM 0 H ASP A 103 -5.319 -5.728 4.111 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.198 -7.757 4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.234 -6.137 3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.208 -7.410 2.117 1.00 0.00 H new ATOM 303 N LEU A 104 -4.634 -7.913 1.714 1.00 0.00 N ATOM 304 CA LEU A 104 -3.925 -8.700 0.699 1.00 0.00 C ATOM 305 C LEU A 104 -3.507 -10.058 1.255 1.00 0.00 C ATOM 306 O LEU A 104 -3.218 -10.172 2.451 1.00 0.00 O ATOM 307 CB LEU A 104 -2.618 -8.009 0.254 1.00 0.00 C ATOM 308 CG LEU A 104 -2.732 -6.527 -0.144 1.00 0.00 C ATOM 309 CD1 LEU A 104 -1.363 -5.850 -0.073 1.00 0.00 C ATOM 310 CD2 LEU A 104 -3.264 -6.372 -1.565 1.00 0.00 C ATOM 0 H LEU A 104 -4.137 -7.057 1.961 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.618 -8.802 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.894 -8.091 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.211 -8.561 -0.593 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.425 -6.060 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.460 -4.802 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.977 -5.916 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.675 -6.349 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.332 -5.313 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.588 -6.866 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.253 -6.826 -1.635 1.00 0.00 H new ATOM 322 N SER A 105 -3.445 -11.075 0.398 1.00 0.00 N ATOM 323 CA SER A 105 -3.019 -12.399 0.818 1.00 0.00 C ATOM 324 C SER A 105 -1.508 -12.289 1.096 1.00 0.00 C ATOM 325 O SER A 105 -0.807 -11.578 0.368 1.00 0.00 O ATOM 326 CB SER A 105 -3.386 -13.443 -0.245 1.00 0.00 C ATOM 327 OG SER A 105 -3.145 -14.741 0.257 1.00 0.00 O ATOM 0 H SER A 105 -3.685 -11.003 -0.591 1.00 0.00 H new ATOM 0 HA SER A 105 -3.525 -12.740 1.721 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.435 -13.339 -0.523 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.799 -13.278 -1.148 1.00 0.00 H new ATOM 0 HG SER A 105 -2.573 -15.233 -0.368 1.00 0.00 H new ATOM 333 N PRO A 106 -0.948 -12.993 2.095 1.00 0.00 N ATOM 334 CA PRO A 106 0.476 -12.932 2.437 1.00 0.00 C ATOM 335 C PRO A 106 1.427 -13.455 1.348 1.00 0.00 C ATOM 336 O PRO A 106 2.640 -13.448 1.553 1.00 0.00 O ATOM 337 CB PRO A 106 0.607 -13.720 3.743 1.00 0.00 C ATOM 338 CG PRO A 106 -0.528 -14.730 3.622 1.00 0.00 C ATOM 339 CD PRO A 106 -1.633 -13.872 3.027 1.00 0.00 C ATOM 0 HA PRO A 106 0.786 -11.892 2.540 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.578 -14.207 3.830 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.492 -13.081 4.618 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.265 -15.567 2.975 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.809 -15.149 4.588 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -2.381 -14.483 2.521 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -2.154 -13.305 3.798 1.00 0.00 H new ATOM 347 N GLU A 107 0.908 -13.981 0.240 1.00 0.00 N ATOM 348 CA GLU A 107 1.663 -14.507 -0.895 1.00 0.00 C ATOM 349 C GLU A 107 1.912 -13.424 -1.964 1.00 0.00 C ATOM 350 O GLU A 107 2.832 -13.563 -2.765 1.00 0.00 O ATOM 351 CB GLU A 107 0.842 -15.664 -1.508 1.00 0.00 C ATOM 352 CG GLU A 107 -0.428 -15.154 -2.218 1.00 0.00 C ATOM 353 CD GLU A 107 -1.508 -16.214 -2.394 1.00 0.00 C ATOM 354 OE1 GLU A 107 -2.271 -16.439 -1.426 1.00 0.00 O ATOM 355 OE2 GLU A 107 -1.671 -16.734 -3.519 1.00 0.00 O ATOM 0 H GLU A 107 -0.100 -14.055 0.103 1.00 0.00 H new ATOM 0 HA GLU A 107 2.638 -14.852 -0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.461 -16.211 -2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.562 -16.366 -0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.840 -14.321 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.152 -14.765 -3.198 1.00 0.00 H new ATOM 362 N ILE A 108 1.089 -12.370 -1.969 1.00 0.00 N ATOM 363 CA ILE A 108 1.085 -11.239 -2.894 1.00 0.00 C ATOM 364 C ILE A 108 2.328 -10.381 -2.716 1.00 0.00 C ATOM 365 O ILE A 108 2.697 -10.070 -1.579 1.00 0.00 O ATOM 366 CB ILE A 108 -0.245 -10.462 -2.665 1.00 0.00 C ATOM 367 CG1 ILE A 108 -1.469 -11.366 -2.928 1.00 0.00 C ATOM 368 CG2 ILE A 108 -0.444 -9.175 -3.468 1.00 0.00 C ATOM 369 CD1 ILE A 108 -1.581 -11.857 -4.375 1.00 0.00 C ATOM 0 H ILE A 108 0.351 -12.282 -1.270 1.00 0.00 H new ATOM 0 HA ILE A 108 1.124 -11.573 -3.931 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.160 -10.161 -1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.419 -12.230 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.375 -10.818 -2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.408 -8.734 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.352 -8.470 -3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.418 -9.403 -4.534 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.466 -12.485 -4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.664 -11.001 -5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.693 -12.435 -4.633 1.00 0.00 H new ATOM 381 N THR A 109 2.967 -9.998 -3.821 1.00 0.00 N ATOM 382 CA THR A 109 4.162 -9.163 -3.812 1.00 0.00 C ATOM 383 C THR A 109 3.782 -7.751 -4.278 1.00 0.00 C ATOM 384 O THR A 109 2.658 -7.480 -4.698 1.00 0.00 O ATOM 385 CB THR A 109 5.271 -9.826 -4.665 1.00 0.00 C ATOM 386 OG1 THR A 109 6.457 -9.046 -4.637 1.00 0.00 O ATOM 387 CG2 THR A 109 4.878 -10.034 -6.130 1.00 0.00 C ATOM 0 H THR A 109 2.663 -10.264 -4.758 1.00 0.00 H new ATOM 0 HA THR A 109 4.572 -9.068 -2.806 1.00 0.00 H new ATOM 0 HB THR A 109 5.431 -10.806 -4.215 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.147 -9.481 -5.180 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.704 -10.503 -6.665 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.000 -10.677 -6.183 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.650 -9.070 -6.586 1.00 0.00 H new ATOM 395 N THR A 110 4.719 -6.811 -4.199 1.00 0.00 N ATOM 396 CA THR A 110 4.507 -5.441 -4.636 1.00 0.00 C ATOM 397 C THR A 110 4.161 -5.422 -6.137 1.00 0.00 C ATOM 398 O THR A 110 3.417 -4.556 -6.602 1.00 0.00 O ATOM 399 CB THR A 110 5.789 -4.662 -4.314 1.00 0.00 C ATOM 400 OG1 THR A 110 6.016 -4.624 -2.909 1.00 0.00 O ATOM 401 CG2 THR A 110 5.702 -3.246 -4.864 1.00 0.00 C ATOM 0 H THR A 110 5.653 -6.983 -3.827 1.00 0.00 H new ATOM 0 HA THR A 110 3.668 -4.973 -4.122 1.00 0.00 H new ATOM 0 HB THR A 110 6.626 -5.175 -4.788 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.839 -4.125 -2.724 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.619 -2.707 -4.627 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.572 -3.283 -5.946 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.853 -2.732 -4.414 1.00 0.00 H new ATOM 409 N GLU A 111 4.684 -6.388 -6.893 1.00 0.00 N ATOM 410 CA GLU A 111 4.458 -6.514 -8.324 1.00 0.00 C ATOM 411 C GLU A 111 3.008 -6.906 -8.600 1.00 0.00 C ATOM 412 O GLU A 111 2.458 -6.485 -9.614 1.00 0.00 O ATOM 413 CB GLU A 111 5.448 -7.510 -8.944 1.00 0.00 C ATOM 414 CG GLU A 111 6.864 -7.256 -8.407 1.00 0.00 C ATOM 415 CD GLU A 111 7.964 -7.906 -9.235 1.00 0.00 C ATOM 416 OE1 GLU A 111 7.987 -7.722 -10.474 1.00 0.00 O ATOM 417 OE2 GLU A 111 8.850 -8.541 -8.620 1.00 0.00 O ATOM 0 H GLU A 111 5.288 -7.117 -6.515 1.00 0.00 H new ATOM 0 HA GLU A 111 4.634 -5.547 -8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.141 -8.530 -8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.440 -7.413 -10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.040 -6.181 -8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.926 -7.627 -7.384 1.00 0.00 H new ATOM 424 N ASP A 112 2.376 -7.683 -7.710 1.00 0.00 N ATOM 425 CA ASP A 112 0.984 -8.086 -7.880 1.00 0.00 C ATOM 426 C ASP A 112 0.112 -6.858 -7.746 1.00 0.00 C ATOM 427 O ASP A 112 -0.837 -6.691 -8.499 1.00 0.00 O ATOM 428 CB ASP A 112 0.548 -9.076 -6.812 1.00 0.00 C ATOM 429 CG ASP A 112 0.931 -10.503 -7.170 1.00 0.00 C ATOM 430 OD1 ASP A 112 0.631 -10.956 -8.301 1.00 0.00 O ATOM 431 OD2 ASP A 112 1.660 -11.116 -6.361 1.00 0.00 O ATOM 0 H ASP A 112 2.814 -8.044 -6.863 1.00 0.00 H new ATOM 0 HA ASP A 112 0.886 -8.557 -8.858 1.00 0.00 H new ATOM 0 HB2 ASP A 112 1.004 -8.806 -5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.532 -9.013 -6.678 1.00 0.00 H new ATOM 436 N ILE A 113 0.427 -5.984 -6.786 1.00 0.00 N ATOM 437 CA ILE A 113 -0.343 -4.767 -6.609 1.00 0.00 C ATOM 438 C ILE A 113 -0.172 -3.936 -7.882 1.00 0.00 C ATOM 439 O ILE A 113 -1.155 -3.446 -8.434 1.00 0.00 O ATOM 440 CB ILE A 113 0.097 -3.996 -5.355 1.00 0.00 C ATOM 441 CG1 ILE A 113 -0.063 -4.847 -4.081 1.00 0.00 C ATOM 442 CG2 ILE A 113 -0.761 -2.733 -5.243 1.00 0.00 C ATOM 443 CD1 ILE A 113 0.172 -4.026 -2.811 1.00 0.00 C ATOM 0 H ILE A 113 1.201 -6.101 -6.131 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.396 -5.001 -6.453 1.00 0.00 H new ATOM 0 HB ILE A 113 1.153 -3.741 -5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.064 -5.276 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.640 -5.679 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.465 -2.169 -4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.618 -2.116 -6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -1.811 -3.013 -5.161 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.049 -4.665 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.183 -3.618 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.548 -3.209 -2.767 1.00 0.00 H new ATOM 455 N LYS A 114 1.067 -3.755 -8.354 1.00 0.00 N ATOM 456 CA LYS A 114 1.298 -2.988 -9.565 1.00 0.00 C ATOM 457 C LYS A 114 0.481 -3.561 -10.708 1.00 0.00 C ATOM 458 O LYS A 114 -0.080 -2.774 -11.450 1.00 0.00 O ATOM 459 CB LYS A 114 2.788 -2.906 -9.897 1.00 0.00 C ATOM 460 CG LYS A 114 3.327 -1.555 -9.421 1.00 0.00 C ATOM 461 CD LYS A 114 4.847 -1.511 -9.538 1.00 0.00 C ATOM 462 CE LYS A 114 5.506 -1.974 -8.236 1.00 0.00 C ATOM 463 NZ LYS A 114 6.976 -1.942 -8.338 1.00 0.00 N ATOM 0 H LYS A 114 1.910 -4.127 -7.916 1.00 0.00 H new ATOM 0 HA LYS A 114 0.965 -1.963 -9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.328 -3.719 -9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.942 -3.017 -10.970 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.888 -0.753 -10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.032 -1.384 -8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.171 -2.147 -10.361 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.169 -0.497 -9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.182 -1.334 -7.415 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.178 -2.986 -8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.393 -2.261 -7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.284 -2.571 -9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.289 -0.971 -8.539 1.00 0.00 H new ATOM 477 N ALA A 115 0.406 -4.883 -10.837 1.00 0.00 N ATOM 478 CA ALA A 115 -0.363 -5.552 -11.872 1.00 0.00 C ATOM 479 C ALA A 115 -1.858 -5.265 -11.714 1.00 0.00 C ATOM 480 O ALA A 115 -2.499 -4.797 -12.652 1.00 0.00 O ATOM 481 CB ALA A 115 -0.086 -7.060 -11.811 1.00 0.00 C ATOM 0 H ALA A 115 0.889 -5.528 -10.211 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.059 -5.171 -12.847 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.661 -7.567 -12.586 1.00 0.00 H new ATOM 0 HB2 ALA A 115 0.977 -7.241 -11.970 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -0.377 -7.444 -10.833 1.00 0.00 H new ATOM 487 N ALA A 116 -2.401 -5.493 -10.520 1.00 0.00 N ATOM 488 CA ALA A 116 -3.810 -5.304 -10.216 1.00 0.00 C ATOM 489 C ALA A 116 -4.317 -3.895 -10.508 1.00 0.00 C ATOM 490 O ALA A 116 -5.422 -3.731 -11.027 1.00 0.00 O ATOM 491 CB ALA A 116 -4.029 -5.616 -8.739 1.00 0.00 C ATOM 0 H ALA A 116 -1.858 -5.822 -9.722 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.373 -5.976 -10.864 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -5.082 -5.480 -8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.739 -6.647 -8.538 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.423 -4.944 -8.131 1.00 0.00 H new ATOM 497 N PHE A 117 -3.528 -2.879 -10.165 1.00 0.00 N ATOM 498 CA PHE A 117 -3.901 -1.490 -10.367 1.00 0.00 C ATOM 499 C PHE A 117 -3.352 -0.916 -11.687 1.00 0.00 C ATOM 500 O PHE A 117 -3.653 0.230 -12.017 1.00 0.00 O ATOM 501 CB PHE A 117 -3.493 -0.712 -9.107 1.00 0.00 C ATOM 502 CG PHE A 117 -4.305 -1.102 -7.873 1.00 0.00 C ATOM 503 CD1 PHE A 117 -3.906 -2.173 -7.051 1.00 0.00 C ATOM 504 CD2 PHE A 117 -5.494 -0.421 -7.558 1.00 0.00 C ATOM 505 CE1 PHE A 117 -4.661 -2.551 -5.932 1.00 0.00 C ATOM 506 CE2 PHE A 117 -6.263 -0.798 -6.439 1.00 0.00 C ATOM 507 CZ PHE A 117 -5.837 -1.857 -5.615 1.00 0.00 C ATOM 0 H PHE A 117 -2.610 -3.002 -9.738 1.00 0.00 H new ATOM 0 HA PHE A 117 -4.980 -1.395 -10.493 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.435 -0.884 -8.908 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.613 0.356 -9.291 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -3.001 -2.714 -7.287 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -5.821 0.399 -8.180 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -4.337 -3.376 -5.315 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -7.180 -0.274 -6.213 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.413 -2.133 -4.744 1.00 0.00 H new ATOM 517 N ALA A 118 -2.576 -1.690 -12.456 1.00 0.00 N ATOM 518 CA ALA A 118 -1.983 -1.267 -13.728 1.00 0.00 C ATOM 519 C ALA A 118 -3.013 -0.830 -14.769 1.00 0.00 C ATOM 520 O ALA A 118 -2.802 0.237 -15.352 1.00 0.00 O ATOM 521 CB ALA A 118 -1.077 -2.336 -14.353 1.00 0.00 C ATOM 0 H ALA A 118 -2.338 -2.649 -12.204 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.379 -0.402 -13.455 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.668 -1.963 -15.292 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -0.261 -2.567 -13.668 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.657 -3.239 -14.543 1.00 0.00 H new ATOM 527 N PRO A 119 -4.119 -1.561 -15.026 1.00 0.00 N ATOM 528 CA PRO A 119 -5.081 -1.122 -16.028 1.00 0.00 C ATOM 529 C PRO A 119 -5.825 0.155 -15.616 1.00 0.00 C ATOM 530 O PRO A 119 -6.551 0.713 -16.440 1.00 0.00 O ATOM 531 CB PRO A 119 -6.012 -2.313 -16.261 1.00 0.00 C ATOM 532 CG PRO A 119 -5.988 -3.044 -14.925 1.00 0.00 C ATOM 533 CD PRO A 119 -4.547 -2.840 -14.459 1.00 0.00 C ATOM 0 HA PRO A 119 -4.582 -0.837 -16.954 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -7.019 -1.990 -16.525 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.657 -2.948 -17.073 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -6.705 -2.624 -14.220 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -6.232 -4.100 -15.037 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -4.487 -2.824 -13.371 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -3.907 -3.653 -14.802 1.00 0.00 H new ATOM 541 N PHE A 120 -5.585 0.689 -14.415 1.00 0.00 N ATOM 542 CA PHE A 120 -6.275 1.896 -13.968 1.00 0.00 C ATOM 543 C PHE A 120 -5.421 3.140 -14.187 1.00 0.00 C ATOM 544 O PHE A 120 -5.975 4.239 -14.279 1.00 0.00 O ATOM 545 CB PHE A 120 -6.711 1.745 -12.508 1.00 0.00 C ATOM 546 CG PHE A 120 -7.736 0.642 -12.340 1.00 0.00 C ATOM 547 CD1 PHE A 120 -9.097 0.923 -12.536 1.00 0.00 C ATOM 548 CD2 PHE A 120 -7.330 -0.683 -12.099 1.00 0.00 C ATOM 549 CE1 PHE A 120 -10.046 -0.110 -12.506 1.00 0.00 C ATOM 550 CE2 PHE A 120 -8.280 -1.715 -12.048 1.00 0.00 C ATOM 551 CZ PHE A 120 -9.641 -1.431 -12.254 1.00 0.00 C ATOM 0 H PHE A 120 -4.922 0.306 -13.741 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.172 2.027 -14.573 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -5.840 1.530 -11.889 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.129 2.687 -12.154 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -9.416 1.940 -12.711 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -6.284 -0.907 -11.953 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -11.089 0.111 -12.677 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.965 -2.729 -11.850 1.00 0.00 H new ATOM 0 HZ PHE A 120 -10.372 -2.225 -12.219 1.00 0.00 H new ATOM 561 N GLY A 121 -4.104 2.993 -14.347 1.00 0.00 N ATOM 562 CA GLY A 121 -3.228 4.117 -14.575 1.00 0.00 C ATOM 563 C GLY A 121 -1.770 3.758 -14.391 1.00 0.00 C ATOM 564 O GLY A 121 -1.417 2.684 -13.901 1.00 0.00 O ATOM 0 H GLY A 121 -3.628 2.091 -14.320 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.382 4.495 -15.586 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -3.490 4.923 -13.890 1.00 0.00 H new ATOM 568 N ARG A 122 -0.909 4.692 -14.786 1.00 0.00 N ATOM 569 CA ARG A 122 0.531 4.530 -14.681 1.00 0.00 C ATOM 570 C ARG A 122 0.957 4.777 -13.243 1.00 0.00 C ATOM 571 O ARG A 122 1.063 5.906 -12.768 1.00 0.00 O ATOM 572 CB ARG A 122 1.242 5.484 -15.631 1.00 0.00 C ATOM 573 CG ARG A 122 1.232 4.949 -17.057 1.00 0.00 C ATOM 574 CD ARG A 122 1.736 6.009 -18.034 1.00 0.00 C ATOM 575 NE ARG A 122 1.584 5.551 -19.417 1.00 0.00 N ATOM 576 CZ ARG A 122 1.925 6.222 -20.516 1.00 0.00 C ATOM 577 NH1 ARG A 122 2.551 7.395 -20.446 1.00 0.00 N ATOM 578 NH2 ARG A 122 1.622 5.692 -21.689 1.00 0.00 N ATOM 0 H ARG A 122 -1.195 5.584 -15.189 1.00 0.00 H new ATOM 0 HA ARG A 122 0.806 3.514 -14.963 1.00 0.00 H new ATOM 0 HB2 ARG A 122 0.756 6.459 -15.602 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.271 5.630 -15.302 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.859 4.060 -17.122 1.00 0.00 H new ATOM 0 HG3 ARG A 122 0.221 4.646 -17.330 1.00 0.00 H new ATOM 0 HD2 ARG A 122 1.182 6.937 -17.890 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.784 6.229 -17.831 1.00 0.00 H new ATOM 0 HE ARG A 122 1.176 4.626 -19.552 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.779 7.798 -19.537 1.00 0.00 H new ATOM 0 HH12 ARG A 122 2.802 7.891 -21.301 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.141 4.794 -21.734 1.00 0.00 H new ATOM 0 HH22 ARG A 122 1.870 6.181 -22.549 1.00 0.00 H new ATOM 592 N ILE A 123 1.204 3.689 -12.538 1.00 0.00 N ATOM 593 CA ILE A 123 1.634 3.719 -11.153 1.00 0.00 C ATOM 594 C ILE A 123 3.114 4.098 -11.159 1.00 0.00 C ATOM 595 O ILE A 123 3.841 3.723 -12.086 1.00 0.00 O ATOM 596 CB ILE A 123 1.431 2.342 -10.490 1.00 0.00 C ATOM 597 CG1 ILE A 123 -0.006 1.797 -10.678 1.00 0.00 C ATOM 598 CG2 ILE A 123 1.756 2.425 -8.994 1.00 0.00 C ATOM 599 CD1 ILE A 123 -0.115 0.306 -10.366 1.00 0.00 C ATOM 0 H ILE A 123 1.110 2.747 -12.917 1.00 0.00 H new ATOM 0 HA ILE A 123 1.049 4.439 -10.581 1.00 0.00 H new ATOM 0 HB ILE A 123 2.112 1.649 -10.984 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.688 2.350 -10.032 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.326 1.974 -11.705 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.609 1.447 -8.535 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.793 2.735 -8.864 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.097 3.152 -8.518 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.144 -0.023 -10.514 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.544 -0.254 -11.030 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.177 0.129 -9.331 1.00 0.00 H new ATOM 611 N SER A 124 3.557 4.793 -10.121 1.00 0.00 N ATOM 612 CA SER A 124 4.926 5.223 -9.928 1.00 0.00 C ATOM 613 C SER A 124 5.457 4.421 -8.752 1.00 0.00 C ATOM 614 O SER A 124 6.305 3.544 -8.908 1.00 0.00 O ATOM 615 CB SER A 124 4.986 6.746 -9.678 1.00 0.00 C ATOM 616 OG SER A 124 6.283 7.172 -9.278 1.00 0.00 O ATOM 0 H SER A 124 2.942 5.083 -9.360 1.00 0.00 H new ATOM 0 HA SER A 124 5.539 5.046 -10.811 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.696 7.274 -10.586 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.263 7.015 -8.908 1.00 0.00 H new ATOM 0 HG SER A 124 6.307 7.277 -8.304 1.00 0.00 H new ATOM 622 N ASP A 125 4.981 4.795 -7.573 1.00 0.00 N ATOM 623 CA ASP A 125 5.340 4.226 -6.294 1.00 0.00 C ATOM 624 C ASP A 125 4.238 3.274 -5.855 1.00 0.00 C ATOM 625 O ASP A 125 3.058 3.591 -6.000 1.00 0.00 O ATOM 626 CB ASP A 125 5.558 5.370 -5.288 1.00 0.00 C ATOM 627 CG ASP A 125 6.798 6.213 -5.613 1.00 0.00 C ATOM 628 OD1 ASP A 125 6.879 6.829 -6.706 1.00 0.00 O ATOM 629 OD2 ASP A 125 7.734 6.229 -4.783 1.00 0.00 O ATOM 0 H ASP A 125 4.296 5.546 -7.485 1.00 0.00 H new ATOM 0 HA ASP A 125 6.267 3.656 -6.358 1.00 0.00 H new ATOM 0 HB2 ASP A 125 4.678 6.013 -5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 125 5.659 4.953 -4.286 1.00 0.00 H new ATOM 634 N ALA A 126 4.605 2.106 -5.343 1.00 0.00 N ATOM 635 CA ALA A 126 3.698 1.082 -4.844 1.00 0.00 C ATOM 636 C ALA A 126 4.534 0.132 -3.999 1.00 0.00 C ATOM 637 O ALA A 126 5.663 -0.172 -4.395 1.00 0.00 O ATOM 638 CB ALA A 126 3.040 0.310 -5.993 1.00 0.00 C ATOM 0 H ALA A 126 5.585 1.836 -5.261 1.00 0.00 H new ATOM 0 HA ALA A 126 2.896 1.540 -4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 126 2.369 -0.447 -5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 126 2.472 1.000 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 126 3.810 -0.173 -6.594 1.00 0.00 H new ATOM 644 N ARG A 127 4.038 -0.329 -2.847 1.00 0.00 N ATOM 645 CA ARG A 127 4.788 -1.262 -2.002 1.00 0.00 C ATOM 646 C ARG A 127 3.867 -2.035 -1.073 1.00 0.00 C ATOM 647 O ARG A 127 2.819 -1.526 -0.669 1.00 0.00 O ATOM 648 CB ARG A 127 5.911 -0.543 -1.220 1.00 0.00 C ATOM 649 CG ARG A 127 5.478 0.139 0.090 1.00 0.00 C ATOM 650 CD ARG A 127 6.559 1.039 0.707 1.00 0.00 C ATOM 651 NE ARG A 127 7.905 0.432 0.699 1.00 0.00 N ATOM 652 CZ ARG A 127 8.823 0.425 1.672 1.00 0.00 C ATOM 653 NH1 ARG A 127 8.634 1.087 2.808 1.00 0.00 N ATOM 654 NH2 ARG A 127 9.947 -0.256 1.471 1.00 0.00 N ATOM 0 H ARG A 127 3.122 -0.072 -2.479 1.00 0.00 H new ATOM 0 HA ARG A 127 5.266 -1.986 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.691 -1.269 -0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 127 6.357 0.210 -1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.586 0.736 -0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 127 5.200 -0.628 0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 127 6.591 1.982 0.161 1.00 0.00 H new ATOM 0 HD3 ARG A 127 6.281 1.275 1.734 1.00 0.00 H new ATOM 0 HE ARG A 127 8.170 -0.045 -0.163 1.00 0.00 H new ATOM 0 HH11 ARG A 127 7.774 1.616 2.953 1.00 0.00 H new ATOM 0 HH12 ARG A 127 9.349 1.066 3.535 1.00 0.00 H new ATOM 0 HH21 ARG A 127 10.091 -0.755 0.593 1.00 0.00 H new ATOM 0 HH22 ARG A 127 10.665 -0.280 2.195 1.00 0.00 H new ATOM 668 N VAL A 128 4.281 -3.249 -0.719 1.00 0.00 N ATOM 669 CA VAL A 128 3.575 -4.131 0.196 1.00 0.00 C ATOM 670 C VAL A 128 4.290 -3.951 1.529 1.00 0.00 C ATOM 671 O VAL A 128 5.502 -4.206 1.604 1.00 0.00 O ATOM 672 CB VAL A 128 3.657 -5.602 -0.275 1.00 0.00 C ATOM 673 CG1 VAL A 128 3.323 -6.617 0.826 1.00 0.00 C ATOM 674 CG2 VAL A 128 2.695 -5.873 -1.425 1.00 0.00 C ATOM 0 H VAL A 128 5.146 -3.656 -1.075 1.00 0.00 H new ATOM 0 HA VAL A 128 2.513 -3.893 0.258 1.00 0.00 H new ATOM 0 HB VAL A 128 4.695 -5.730 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 128 3.401 -7.628 0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 128 4.023 -6.500 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 128 2.308 -6.445 1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.779 -6.916 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.674 -5.671 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 128 2.943 -5.227 -2.267 1.00 0.00 H new ATOM 684 N VAL A 129 3.583 -3.454 2.544 1.00 0.00 N ATOM 685 CA VAL A 129 4.121 -3.258 3.883 1.00 0.00 C ATOM 686 C VAL A 129 4.565 -4.626 4.389 1.00 0.00 C ATOM 687 O VAL A 129 3.947 -5.653 4.096 1.00 0.00 O ATOM 688 CB VAL A 129 3.048 -2.653 4.817 1.00 0.00 C ATOM 689 CG1 VAL A 129 3.586 -2.443 6.249 1.00 0.00 C ATOM 690 CG2 VAL A 129 2.601 -1.292 4.260 1.00 0.00 C ATOM 0 H VAL A 129 2.607 -3.173 2.454 1.00 0.00 H new ATOM 0 HA VAL A 129 4.960 -2.562 3.865 1.00 0.00 H new ATOM 0 HB VAL A 129 2.213 -3.353 4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.801 -2.016 6.874 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.899 -3.401 6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 129 4.438 -1.763 6.222 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.844 -0.861 4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.459 -0.621 4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 129 2.183 -1.427 3.262 1.00 0.00 H new ATOM 700 N LYS A 130 5.644 -4.657 5.162 1.00 0.00 N ATOM 701 CA LYS A 130 6.178 -5.883 5.726 1.00 0.00 C ATOM 702 C LYS A 130 6.425 -5.649 7.198 1.00 0.00 C ATOM 703 O LYS A 130 6.613 -4.511 7.633 1.00 0.00 O ATOM 704 CB LYS A 130 7.424 -6.305 4.945 1.00 0.00 C ATOM 705 CG LYS A 130 6.997 -6.927 3.604 1.00 0.00 C ATOM 706 CD LYS A 130 8.169 -7.016 2.646 1.00 0.00 C ATOM 707 CE LYS A 130 7.748 -7.440 1.233 1.00 0.00 C ATOM 708 NZ LYS A 130 7.213 -6.339 0.396 1.00 0.00 N ATOM 0 H LYS A 130 6.175 -3.823 5.415 1.00 0.00 H new ATOM 0 HA LYS A 130 5.478 -6.714 5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 130 8.067 -5.443 4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 130 8.004 -7.024 5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.587 -7.922 3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 130 6.203 -6.328 3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 130 8.667 -6.048 2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 130 8.896 -7.729 3.033 1.00 0.00 H new ATOM 0 HE2 LYS A 130 8.608 -7.879 0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 130 6.991 -8.221 1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 6.610 -6.734 -0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 6.651 -5.694 0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 8.002 -5.815 -0.034 1.00 0.00 H new ATOM 722 N ASP A 131 6.339 -6.710 7.985 1.00 0.00 N ATOM 723 CA ASP A 131 6.531 -6.679 9.421 1.00 0.00 C ATOM 724 C ASP A 131 7.941 -6.217 9.684 1.00 0.00 C ATOM 725 O ASP A 131 8.881 -6.896 9.289 1.00 0.00 O ATOM 726 CB ASP A 131 6.329 -8.071 10.011 1.00 0.00 C ATOM 727 CG ASP A 131 6.684 -8.128 11.501 1.00 0.00 C ATOM 728 OD1 ASP A 131 6.610 -7.096 12.202 1.00 0.00 O ATOM 729 OD2 ASP A 131 7.041 -9.236 11.963 1.00 0.00 O ATOM 0 H ASP A 131 6.127 -7.642 7.629 1.00 0.00 H new ATOM 0 HA ASP A 131 5.810 -6.005 9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.291 -8.374 9.875 1.00 0.00 H new ATOM 0 HB3 ASP A 131 6.944 -8.787 9.466 1.00 0.00 H new ATOM 734 N MET A 132 8.107 -5.066 10.318 1.00 0.00 N ATOM 735 CA MET A 132 9.427 -4.537 10.612 1.00 0.00 C ATOM 736 C MET A 132 10.261 -5.516 11.458 1.00 0.00 C ATOM 737 O MET A 132 11.486 -5.398 11.466 1.00 0.00 O ATOM 738 CB MET A 132 9.221 -3.146 11.243 1.00 0.00 C ATOM 739 CG MET A 132 10.268 -2.652 12.232 1.00 0.00 C ATOM 740 SD MET A 132 10.191 -3.424 13.867 1.00 0.00 S ATOM 741 CE MET A 132 8.561 -2.854 14.391 1.00 0.00 C ATOM 0 H MET A 132 7.338 -4.479 10.640 1.00 0.00 H new ATOM 0 HA MET A 132 10.025 -4.420 9.708 1.00 0.00 H new ATOM 0 HB2 MET A 132 9.155 -2.418 10.434 1.00 0.00 H new ATOM 0 HB3 MET A 132 8.256 -3.148 11.750 1.00 0.00 H new ATOM 0 HG2 MET A 132 11.258 -2.827 11.809 1.00 0.00 H new ATOM 0 HG3 MET A 132 10.157 -1.574 12.349 1.00 0.00 H new ATOM 0 HE1 MET A 132 8.514 -2.837 15.480 1.00 0.00 H new ATOM 0 HE2 MET A 132 8.385 -1.850 14.005 1.00 0.00 H new ATOM 0 HE3 MET A 132 7.798 -3.530 14.005 1.00 0.00 H new ATOM 751 N ALA A 133 9.642 -6.508 12.111 1.00 0.00 N ATOM 752 CA ALA A 133 10.332 -7.466 12.959 1.00 0.00 C ATOM 753 C ALA A 133 10.642 -8.810 12.301 1.00 0.00 C ATOM 754 O ALA A 133 11.281 -9.645 12.945 1.00 0.00 O ATOM 755 CB ALA A 133 9.474 -7.703 14.192 1.00 0.00 C ATOM 0 H ALA A 133 8.635 -6.663 12.059 1.00 0.00 H new ATOM 0 HA ALA A 133 11.302 -7.029 13.195 1.00 0.00 H new ATOM 0 HB1 ALA A 133 9.969 -8.420 14.847 1.00 0.00 H new ATOM 0 HB2 ALA A 133 9.333 -6.762 14.724 1.00 0.00 H new ATOM 0 HB3 ALA A 133 8.504 -8.098 13.890 1.00 0.00 H new ATOM 761 N THR A 134 10.157 -9.080 11.087 1.00 0.00 N ATOM 762 CA THR A 134 10.445 -10.349 10.404 1.00 0.00 C ATOM 763 C THR A 134 10.705 -10.147 8.920 1.00 0.00 C ATOM 764 O THR A 134 11.456 -10.896 8.302 1.00 0.00 O ATOM 765 CB THR A 134 9.301 -11.367 10.535 1.00 0.00 C ATOM 766 OG1 THR A 134 8.077 -10.819 10.098 1.00 0.00 O ATOM 767 CG2 THR A 134 9.099 -11.817 11.966 1.00 0.00 C ATOM 0 H THR A 134 9.565 -8.441 10.556 1.00 0.00 H new ATOM 0 HA THR A 134 11.336 -10.736 10.898 1.00 0.00 H new ATOM 0 HB THR A 134 9.590 -12.216 9.915 1.00 0.00 H new ATOM 0 HG1 THR A 134 7.540 -10.558 10.875 1.00 0.00 H new ATOM 0 HG21 THR A 134 8.281 -12.536 12.009 1.00 0.00 H new ATOM 0 HG22 THR A 134 10.013 -12.285 12.333 1.00 0.00 H new ATOM 0 HG23 THR A 134 8.858 -10.955 12.588 1.00 0.00 H new ATOM 775 N GLY A 135 10.101 -9.109 8.358 1.00 0.00 N ATOM 776 CA GLY A 135 10.187 -8.760 6.948 1.00 0.00 C ATOM 777 C GLY A 135 9.142 -9.533 6.136 1.00 0.00 C ATOM 778 O GLY A 135 9.252 -9.616 4.913 1.00 0.00 O ATOM 0 H GLY A 135 9.517 -8.464 8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 135 10.032 -7.688 6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 135 11.186 -8.984 6.573 1.00 0.00 H new ATOM 782 N LYS A 136 8.164 -10.172 6.787 1.00 0.00 N ATOM 783 CA LYS A 136 7.102 -10.930 6.129 1.00 0.00 C ATOM 784 C LYS A 136 5.991 -9.967 5.749 1.00 0.00 C ATOM 785 O LYS A 136 5.840 -8.940 6.413 1.00 0.00 O ATOM 786 CB LYS A 136 6.586 -12.021 7.076 1.00 0.00 C ATOM 787 CG LYS A 136 7.594 -13.172 7.110 1.00 0.00 C ATOM 788 CD LYS A 136 7.161 -14.313 8.032 1.00 0.00 C ATOM 789 CE LYS A 136 8.048 -15.517 7.706 1.00 0.00 C ATOM 790 NZ LYS A 136 7.798 -16.688 8.567 1.00 0.00 N ATOM 0 H LYS A 136 8.090 -10.175 7.804 1.00 0.00 H new ATOM 0 HA LYS A 136 7.478 -11.416 5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.446 -11.614 8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.614 -12.382 6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 136 7.731 -13.559 6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.561 -12.792 7.439 1.00 0.00 H new ATOM 0 HD2 LYS A 136 7.271 -14.026 9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 136 6.110 -14.556 7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 136 7.891 -15.802 6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 136 9.093 -15.223 7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 8.433 -17.464 8.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 7.975 -16.433 9.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 6.810 -16.994 8.459 1.00 0.00 H new ATOM 804 N SER A 137 5.203 -10.273 4.720 1.00 0.00 N ATOM 805 CA SER A 137 4.128 -9.382 4.307 1.00 0.00 C ATOM 806 C SER A 137 3.175 -9.085 5.463 1.00 0.00 C ATOM 807 O SER A 137 2.702 -9.999 6.145 1.00 0.00 O ATOM 808 CB SER A 137 3.351 -9.942 3.118 1.00 0.00 C ATOM 809 OG SER A 137 2.374 -8.981 2.774 1.00 0.00 O ATOM 0 H SER A 137 5.289 -11.123 4.163 1.00 0.00 H new ATOM 0 HA SER A 137 4.597 -8.449 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 137 4.018 -10.133 2.277 1.00 0.00 H new ATOM 0 HB3 SER A 137 2.883 -10.892 3.376 1.00 0.00 H new ATOM 0 HG SER A 137 1.852 -9.304 2.010 1.00 0.00 H new ATOM 815 N LYS A 138 2.931 -7.790 5.689 1.00 0.00 N ATOM 816 CA LYS A 138 2.001 -7.328 6.731 1.00 0.00 C ATOM 817 C LYS A 138 0.547 -7.454 6.272 1.00 0.00 C ATOM 818 O LYS A 138 -0.352 -7.389 7.109 1.00 0.00 O ATOM 819 CB LYS A 138 2.284 -5.873 7.129 1.00 0.00 C ATOM 820 CG LYS A 138 3.255 -5.781 8.315 1.00 0.00 C ATOM 821 CD LYS A 138 2.564 -5.268 9.573 1.00 0.00 C ATOM 822 CE LYS A 138 3.491 -5.388 10.784 1.00 0.00 C ATOM 823 NZ LYS A 138 2.818 -5.110 12.064 1.00 0.00 N ATOM 0 H LYS A 138 3.368 -7.035 5.160 1.00 0.00 H new ATOM 0 HA LYS A 138 2.156 -7.968 7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.702 -5.338 6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.347 -5.379 7.388 1.00 0.00 H new ATOM 0 HG2 LYS A 138 3.684 -6.764 8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 138 4.081 -5.118 8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.271 -4.227 9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 138 1.651 -5.836 9.750 1.00 0.00 H new ATOM 0 HE2 LYS A 138 3.910 -6.394 10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.326 -4.698 10.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 3.500 -5.208 12.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 2.440 -4.141 12.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 2.038 -5.784 12.200 1.00 0.00 H new ATOM 837 N GLY A 139 0.303 -7.594 4.968 1.00 0.00 N ATOM 838 CA GLY A 139 -1.031 -7.741 4.395 1.00 0.00 C ATOM 839 C GLY A 139 -1.562 -6.448 3.787 1.00 0.00 C ATOM 840 O GLY A 139 -2.491 -6.498 2.988 1.00 0.00 O ATOM 0 H GLY A 139 1.045 -7.608 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -1.008 -8.515 3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -1.718 -8.081 5.170 1.00 0.00 H new ATOM 844 N TYR A 140 -1.081 -5.279 4.213 1.00 0.00 N ATOM 845 CA TYR A 140 -1.497 -4.000 3.654 1.00 0.00 C ATOM 846 C TYR A 140 -0.427 -3.460 2.700 1.00 0.00 C ATOM 847 O TYR A 140 0.739 -3.861 2.763 1.00 0.00 O ATOM 848 CB TYR A 140 -2.030 -3.059 4.741 1.00 0.00 C ATOM 849 CG TYR A 140 -1.165 -2.840 5.970 1.00 0.00 C ATOM 850 CD1 TYR A 140 -1.224 -3.743 7.050 1.00 0.00 C ATOM 851 CD2 TYR A 140 -0.372 -1.684 6.071 1.00 0.00 C ATOM 852 CE1 TYR A 140 -0.493 -3.493 8.226 1.00 0.00 C ATOM 853 CE2 TYR A 140 0.355 -1.422 7.244 1.00 0.00 C ATOM 854 CZ TYR A 140 0.290 -2.321 8.332 1.00 0.00 C ATOM 855 OH TYR A 140 0.964 -2.036 9.478 1.00 0.00 O ATOM 0 H TYR A 140 -0.390 -5.197 4.958 1.00 0.00 H new ATOM 0 HA TYR A 140 -2.369 -4.121 3.011 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.214 -2.087 4.283 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -2.995 -3.443 5.074 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -1.833 -4.631 6.975 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -0.321 -0.993 5.242 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -0.530 -4.195 9.046 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.964 -0.533 7.314 1.00 0.00 H new ATOM 0 HH TYR A 140 1.450 -1.192 9.370 1.00 0.00 H new ATOM 865 N GLY A 141 -0.804 -2.548 1.808 1.00 0.00 N ATOM 866 CA GLY A 141 0.078 -1.938 0.829 1.00 0.00 C ATOM 867 C GLY A 141 -0.466 -0.587 0.379 1.00 0.00 C ATOM 868 O GLY A 141 -1.521 -0.145 0.839 1.00 0.00 O ATOM 0 H GLY A 141 -1.763 -2.205 1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 141 1.072 -1.810 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 141 0.185 -2.598 -0.032 1.00 0.00 H new ATOM 872 N PHE A 142 0.269 0.096 -0.492 1.00 0.00 N ATOM 873 CA PHE A 142 -0.134 1.399 -1.024 1.00 0.00 C ATOM 874 C PHE A 142 0.273 1.481 -2.491 1.00 0.00 C ATOM 875 O PHE A 142 1.178 0.751 -2.911 1.00 0.00 O ATOM 876 CB PHE A 142 0.523 2.549 -0.244 1.00 0.00 C ATOM 877 CG PHE A 142 0.245 2.612 1.250 1.00 0.00 C ATOM 878 CD1 PHE A 142 1.091 1.932 2.144 1.00 0.00 C ATOM 879 CD2 PHE A 142 -0.806 3.401 1.755 1.00 0.00 C ATOM 880 CE1 PHE A 142 0.919 2.071 3.532 1.00 0.00 C ATOM 881 CE2 PHE A 142 -0.993 3.524 3.147 1.00 0.00 C ATOM 882 CZ PHE A 142 -0.122 2.869 4.038 1.00 0.00 C ATOM 0 H PHE A 142 1.164 -0.237 -0.852 1.00 0.00 H new ATOM 0 HA PHE A 142 -1.215 1.497 -0.922 1.00 0.00 H new ATOM 0 HB2 PHE A 142 1.602 2.483 -0.386 1.00 0.00 H new ATOM 0 HB3 PHE A 142 0.200 3.490 -0.690 1.00 0.00 H new ATOM 0 HD1 PHE A 142 1.878 1.299 1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -1.470 3.913 1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 142 1.588 1.564 4.211 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -1.806 4.122 3.531 1.00 0.00 H new ATOM 0 HZ PHE A 142 -0.253 2.979 5.104 1.00 0.00 H new ATOM 892 N VAL A 143 -0.358 2.388 -3.239 1.00 0.00 N ATOM 893 CA VAL A 143 -0.137 2.655 -4.659 1.00 0.00 C ATOM 894 C VAL A 143 -0.176 4.180 -4.839 1.00 0.00 C ATOM 895 O VAL A 143 -0.892 4.856 -4.107 1.00 0.00 O ATOM 896 CB VAL A 143 -1.253 1.940 -5.458 1.00 0.00 C ATOM 897 CG1 VAL A 143 -1.141 2.077 -6.978 1.00 0.00 C ATOM 898 CG2 VAL A 143 -1.241 0.431 -5.182 1.00 0.00 C ATOM 0 H VAL A 143 -1.080 2.991 -2.845 1.00 0.00 H new ATOM 0 HA VAL A 143 0.822 2.283 -5.020 1.00 0.00 H new ATOM 0 HB VAL A 143 -2.165 2.431 -5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -1.965 1.544 -7.453 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -1.184 3.131 -7.252 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -0.194 1.653 -7.313 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -2.034 -0.050 -5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -0.277 0.015 -5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -1.403 0.254 -4.119 1.00 0.00 H new ATOM 908 N SER A 144 0.529 4.725 -5.827 1.00 0.00 N ATOM 909 CA SER A 144 0.618 6.140 -6.152 1.00 0.00 C ATOM 910 C SER A 144 0.420 6.314 -7.658 1.00 0.00 C ATOM 911 O SER A 144 1.181 5.761 -8.467 1.00 0.00 O ATOM 912 CB SER A 144 1.974 6.664 -5.683 1.00 0.00 C ATOM 913 OG SER A 144 1.914 8.049 -5.462 1.00 0.00 O ATOM 0 H SER A 144 1.087 4.152 -6.460 1.00 0.00 H new ATOM 0 HA SER A 144 -0.158 6.714 -5.646 1.00 0.00 H new ATOM 0 HB2 SER A 144 2.270 6.155 -4.765 1.00 0.00 H new ATOM 0 HB3 SER A 144 2.735 6.441 -6.431 1.00 0.00 H new ATOM 0 HG SER A 144 1.454 8.225 -4.615 1.00 0.00 H new ATOM 919 N PHE A 145 -0.614 7.063 -8.036 1.00 0.00 N ATOM 920 CA PHE A 145 -1.001 7.347 -9.412 1.00 0.00 C ATOM 921 C PHE A 145 -0.593 8.768 -9.821 1.00 0.00 C ATOM 922 O PHE A 145 -0.566 9.682 -8.991 1.00 0.00 O ATOM 923 CB PHE A 145 -2.523 7.167 -9.515 1.00 0.00 C ATOM 924 CG PHE A 145 -3.017 5.756 -9.237 1.00 0.00 C ATOM 925 CD1 PHE A 145 -3.281 5.347 -7.915 1.00 0.00 C ATOM 926 CD2 PHE A 145 -3.229 4.849 -10.293 1.00 0.00 C ATOM 927 CE1 PHE A 145 -3.794 4.065 -7.661 1.00 0.00 C ATOM 928 CE2 PHE A 145 -3.747 3.567 -10.038 1.00 0.00 C ATOM 929 CZ PHE A 145 -4.047 3.184 -8.721 1.00 0.00 C ATOM 0 H PHE A 145 -1.232 7.508 -7.358 1.00 0.00 H new ATOM 0 HA PHE A 145 -0.490 6.664 -10.091 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -3.004 7.850 -8.815 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -2.843 7.459 -10.515 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -3.088 6.022 -7.094 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -2.992 5.140 -11.306 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -3.994 3.757 -6.645 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -3.914 2.879 -10.853 1.00 0.00 H new ATOM 0 HZ PHE A 145 -4.473 2.211 -8.525 1.00 0.00 H new ATOM 939 N PHE A 146 -0.300 8.959 -11.110 1.00 0.00 N ATOM 940 CA PHE A 146 0.097 10.244 -11.680 1.00 0.00 C ATOM 941 C PHE A 146 -1.098 11.197 -11.722 1.00 0.00 C ATOM 942 O PHE A 146 -0.918 12.401 -11.520 1.00 0.00 O ATOM 943 CB PHE A 146 0.612 10.097 -13.129 1.00 0.00 C ATOM 944 CG PHE A 146 1.931 9.379 -13.383 1.00 0.00 C ATOM 945 CD1 PHE A 146 3.018 9.476 -12.491 1.00 0.00 C ATOM 946 CD2 PHE A 146 2.092 8.649 -14.576 1.00 0.00 C ATOM 947 CE1 PHE A 146 4.220 8.793 -12.759 1.00 0.00 C ATOM 948 CE2 PHE A 146 3.291 7.967 -14.840 1.00 0.00 C ATOM 949 CZ PHE A 146 4.342 8.010 -13.918 1.00 0.00 C ATOM 0 H PHE A 146 -0.334 8.207 -11.799 1.00 0.00 H new ATOM 0 HA PHE A 146 0.893 10.633 -11.044 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -0.158 9.578 -13.699 1.00 0.00 H new ATOM 0 HB3 PHE A 146 0.699 11.099 -13.549 1.00 0.00 H new ATOM 0 HD1 PHE A 146 2.929 10.077 -11.598 1.00 0.00 H new ATOM 0 HD2 PHE A 146 1.286 8.613 -15.294 1.00 0.00 H new ATOM 0 HE1 PHE A 146 5.049 8.872 -12.072 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.402 7.408 -15.757 1.00 0.00 H new ATOM 0 HZ PHE A 146 5.244 7.443 -14.097 1.00 0.00 H new ATOM 959 N ASN A 147 -2.305 10.683 -11.982 1.00 0.00 N ATOM 960 CA ASN A 147 -3.534 11.459 -12.078 1.00 0.00 C ATOM 961 C ASN A 147 -4.588 10.961 -11.099 1.00 0.00 C ATOM 962 O ASN A 147 -4.620 9.787 -10.735 1.00 0.00 O ATOM 963 CB ASN A 147 -4.058 11.413 -13.524 1.00 0.00 C ATOM 964 CG ASN A 147 -3.296 12.368 -14.433 1.00 0.00 C ATOM 965 OD1 ASN A 147 -2.637 11.980 -15.391 1.00 0.00 O ATOM 966 ND2 ASN A 147 -3.367 13.652 -14.136 1.00 0.00 N ATOM 0 H ASN A 147 -2.452 9.685 -12.135 1.00 0.00 H new ATOM 0 HA ASN A 147 -3.314 12.492 -11.810 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -3.971 10.397 -13.910 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -5.118 11.669 -13.535 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -2.870 14.336 -14.707 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -3.919 13.961 -13.336 1.00 0.00 H new ATOM 973 N LYS A 148 -5.482 11.870 -10.703 1.00 0.00 N ATOM 974 CA LYS A 148 -6.572 11.620 -9.769 1.00 0.00 C ATOM 975 C LYS A 148 -7.520 10.563 -10.317 1.00 0.00 C ATOM 976 O LYS A 148 -7.840 9.614 -9.618 1.00 0.00 O ATOM 977 CB LYS A 148 -7.335 12.935 -9.514 1.00 0.00 C ATOM 978 CG LYS A 148 -8.452 12.765 -8.473 1.00 0.00 C ATOM 979 CD LYS A 148 -7.926 12.781 -7.047 1.00 0.00 C ATOM 980 CE LYS A 148 -9.133 12.640 -6.110 1.00 0.00 C ATOM 981 NZ LYS A 148 -8.771 12.418 -4.695 1.00 0.00 N ATOM 0 H LYS A 148 -5.462 12.833 -11.038 1.00 0.00 H new ATOM 0 HA LYS A 148 -6.157 11.250 -8.832 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -6.636 13.698 -9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -7.764 13.291 -10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -9.183 13.564 -8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -8.973 11.825 -8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -7.220 11.965 -6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -7.391 13.709 -6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -9.743 13.541 -6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -9.750 11.809 -6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -9.546 12.745 -4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -8.607 11.404 -4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -7.905 12.949 -4.471 1.00 0.00 H new ATOM 995 N TRP A 149 -7.946 10.757 -11.558 1.00 0.00 N ATOM 996 CA TRP A 149 -8.873 9.911 -12.308 1.00 0.00 C ATOM 997 C TRP A 149 -8.522 8.431 -12.213 1.00 0.00 C ATOM 998 O TRP A 149 -9.392 7.596 -11.998 1.00 0.00 O ATOM 999 CB TRP A 149 -8.890 10.321 -13.793 1.00 0.00 C ATOM 1000 CG TRP A 149 -8.400 11.696 -14.135 1.00 0.00 C ATOM 1001 CD1 TRP A 149 -7.357 11.967 -14.950 1.00 0.00 C ATOM 1002 CD2 TRP A 149 -8.919 12.985 -13.704 1.00 0.00 C ATOM 1003 NE1 TRP A 149 -7.201 13.336 -15.072 1.00 0.00 N ATOM 1004 CE2 TRP A 149 -8.163 14.013 -14.345 1.00 0.00 C ATOM 1005 CE3 TRP A 149 -9.971 13.377 -12.852 1.00 0.00 C ATOM 1006 CZ2 TRP A 149 -8.470 15.373 -14.175 1.00 0.00 C ATOM 1007 CZ3 TRP A 149 -10.282 14.737 -12.674 1.00 0.00 C ATOM 1008 CH2 TRP A 149 -9.550 15.731 -13.347 1.00 0.00 C ATOM 0 H TRP A 149 -7.635 11.560 -12.105 1.00 0.00 H new ATOM 0 HA TRP A 149 -9.856 10.057 -11.860 1.00 0.00 H new ATOM 0 HB2 TRP A 149 -8.288 9.601 -14.348 1.00 0.00 H new ATOM 0 HB3 TRP A 149 -9.913 10.228 -14.156 1.00 0.00 H new ATOM 0 HD1 TRP A 149 -6.738 11.226 -15.434 1.00 0.00 H new ATOM 0 HE1 TRP A 149 -6.472 13.787 -15.625 1.00 0.00 H new ATOM 0 HE3 TRP A 149 -10.544 12.625 -12.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 -7.886 16.133 -14.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 -11.090 15.020 -12.015 1.00 0.00 H new ATOM 0 HH2 TRP A 149 -9.817 16.771 -13.228 1.00 0.00 H new ATOM 1019 N ASP A 150 -7.235 8.130 -12.359 1.00 0.00 N ATOM 1020 CA ASP A 150 -6.690 6.783 -12.330 1.00 0.00 C ATOM 1021 C ASP A 150 -6.954 6.145 -10.964 1.00 0.00 C ATOM 1022 O ASP A 150 -7.460 5.025 -10.874 1.00 0.00 O ATOM 1023 CB ASP A 150 -5.181 6.835 -12.640 1.00 0.00 C ATOM 1024 CG ASP A 150 -4.788 7.343 -14.039 1.00 0.00 C ATOM 1025 OD1 ASP A 150 -5.626 7.930 -14.759 1.00 0.00 O ATOM 1026 OD2 ASP A 150 -3.595 7.214 -14.404 1.00 0.00 O ATOM 0 H ASP A 150 -6.521 8.844 -12.506 1.00 0.00 H new ATOM 0 HA ASP A 150 -7.177 6.169 -13.088 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -4.701 7.473 -11.898 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -4.771 5.833 -12.512 1.00 0.00 H new ATOM 1031 N ALA A 151 -6.609 6.872 -9.896 1.00 0.00 N ATOM 1032 CA ALA A 151 -6.797 6.439 -8.520 1.00 0.00 C ATOM 1033 C ALA A 151 -8.287 6.302 -8.198 1.00 0.00 C ATOM 1034 O ALA A 151 -8.688 5.355 -7.530 1.00 0.00 O ATOM 1035 CB ALA A 151 -6.160 7.465 -7.581 1.00 0.00 C ATOM 0 H ALA A 151 -6.183 7.796 -9.973 1.00 0.00 H new ATOM 0 HA ALA A 151 -6.324 5.466 -8.385 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -6.297 7.147 -6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -5.095 7.545 -7.798 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -6.634 8.436 -7.728 1.00 0.00 H new ATOM 1041 N GLU A 152 -9.101 7.257 -8.646 1.00 0.00 N ATOM 1042 CA GLU A 152 -10.542 7.282 -8.439 1.00 0.00 C ATOM 1043 C GLU A 152 -11.170 6.031 -9.046 1.00 0.00 C ATOM 1044 O GLU A 152 -11.849 5.288 -8.337 1.00 0.00 O ATOM 1045 CB GLU A 152 -11.124 8.549 -9.084 1.00 0.00 C ATOM 1046 CG GLU A 152 -10.953 9.810 -8.231 1.00 0.00 C ATOM 1047 CD GLU A 152 -11.898 9.926 -7.031 1.00 0.00 C ATOM 1048 OE1 GLU A 152 -12.715 9.024 -6.765 1.00 0.00 O ATOM 1049 OE2 GLU A 152 -11.841 10.975 -6.347 1.00 0.00 O ATOM 0 H GLU A 152 -8.762 8.058 -9.179 1.00 0.00 H new ATOM 0 HA GLU A 152 -10.764 7.296 -7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -10.644 8.707 -10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -12.185 8.393 -9.277 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -9.926 9.846 -7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -11.096 10.682 -8.869 1.00 0.00 H new ATOM 1056 N ASN A 153 -10.920 5.771 -10.337 1.00 0.00 N ATOM 1057 CA ASN A 153 -11.474 4.604 -11.020 1.00 0.00 C ATOM 1058 C ASN A 153 -11.126 3.339 -10.240 1.00 0.00 C ATOM 1059 O ASN A 153 -12.000 2.516 -9.989 1.00 0.00 O ATOM 1060 CB ASN A 153 -11.035 4.518 -12.490 1.00 0.00 C ATOM 1061 CG ASN A 153 -11.948 3.579 -13.290 1.00 0.00 C ATOM 1062 OD1 ASN A 153 -13.152 3.498 -13.055 1.00 0.00 O ATOM 1063 ND2 ASN A 153 -11.426 2.850 -14.264 1.00 0.00 N ATOM 0 H ASN A 153 -10.334 6.360 -10.928 1.00 0.00 H new ATOM 0 HA ASN A 153 -12.559 4.709 -11.046 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -11.052 5.513 -12.936 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -10.006 4.162 -12.544 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -12.022 2.229 -14.811 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -10.428 2.910 -14.467 1.00 0.00 H new ATOM 1070 N ALA A 154 -9.870 3.215 -9.807 1.00 0.00 N ATOM 1071 CA ALA A 154 -9.358 2.100 -9.035 1.00 0.00 C ATOM 1072 C ALA A 154 -10.087 1.953 -7.695 1.00 0.00 C ATOM 1073 O ALA A 154 -10.544 0.858 -7.402 1.00 0.00 O ATOM 1074 CB ALA A 154 -7.855 2.262 -8.808 1.00 0.00 C ATOM 0 H ALA A 154 -9.159 3.922 -9.997 1.00 0.00 H new ATOM 0 HA ALA A 154 -9.538 1.190 -9.608 1.00 0.00 H new ATOM 0 HB1 ALA A 154 -7.482 1.419 -8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 154 -7.343 2.295 -9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 154 -7.667 3.188 -8.265 1.00 0.00 H new ATOM 1080 N ILE A 155 -10.193 2.988 -6.856 1.00 0.00 N ATOM 1081 CA ILE A 155 -10.883 2.908 -5.565 1.00 0.00 C ATOM 1082 C ILE A 155 -12.318 2.413 -5.754 1.00 0.00 C ATOM 1083 O ILE A 155 -12.821 1.652 -4.925 1.00 0.00 O ATOM 1084 CB ILE A 155 -10.837 4.283 -4.863 1.00 0.00 C ATOM 1085 CG1 ILE A 155 -9.387 4.526 -4.414 1.00 0.00 C ATOM 1086 CG2 ILE A 155 -11.783 4.364 -3.649 1.00 0.00 C ATOM 1087 CD1 ILE A 155 -9.143 5.924 -3.847 1.00 0.00 C ATOM 0 H ILE A 155 -9.801 3.909 -7.054 1.00 0.00 H new ATOM 0 HA ILE A 155 -10.374 2.186 -4.926 1.00 0.00 H new ATOM 0 HB ILE A 155 -11.173 5.046 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -9.122 3.786 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -8.722 4.367 -5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -11.709 5.352 -3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -12.809 4.190 -3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -11.502 3.607 -2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -8.098 6.020 -3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -9.376 6.670 -4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -9.781 6.080 -2.977 1.00 0.00 H new ATOM 1099 N GLN A 156 -12.987 2.867 -6.808 1.00 0.00 N ATOM 1100 CA GLN A 156 -14.354 2.456 -7.081 1.00 0.00 C ATOM 1101 C GLN A 156 -14.398 0.985 -7.518 1.00 0.00 C ATOM 1102 O GLN A 156 -15.009 0.146 -6.855 1.00 0.00 O ATOM 1103 CB GLN A 156 -14.958 3.331 -8.190 1.00 0.00 C ATOM 1104 CG GLN A 156 -15.085 4.820 -7.840 1.00 0.00 C ATOM 1105 CD GLN A 156 -15.554 5.641 -9.040 1.00 0.00 C ATOM 1106 OE1 GLN A 156 -16.416 6.506 -8.911 1.00 0.00 O ATOM 1107 NE2 GLN A 156 -15.021 5.393 -10.226 1.00 0.00 N ATOM 0 H GLN A 156 -12.601 3.522 -7.488 1.00 0.00 H new ATOM 0 HA GLN A 156 -14.934 2.574 -6.166 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -14.343 3.234 -9.085 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -15.947 2.946 -8.439 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -15.789 4.942 -7.017 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -14.122 5.197 -7.494 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -14.306 4.672 -10.323 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -15.326 5.922 -11.043 1.00 0.00 H new ATOM 1116 N GLN A 157 -13.745 0.694 -8.643 1.00 0.00 N ATOM 1117 CA GLN A 157 -13.665 -0.590 -9.315 1.00 0.00 C ATOM 1118 C GLN A 157 -12.941 -1.701 -8.568 1.00 0.00 C ATOM 1119 O GLN A 157 -13.495 -2.795 -8.483 1.00 0.00 O ATOM 1120 CB GLN A 157 -13.031 -0.373 -10.699 1.00 0.00 C ATOM 1121 CG GLN A 157 -13.917 0.501 -11.616 1.00 0.00 C ATOM 1122 CD GLN A 157 -15.191 -0.191 -12.101 1.00 0.00 C ATOM 1123 OE1 GLN A 157 -16.059 0.424 -12.706 1.00 0.00 O ATOM 1124 NE2 GLN A 157 -15.337 -1.495 -11.930 1.00 0.00 N ATOM 0 H GLN A 157 -13.219 1.411 -9.142 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.690 -0.954 -9.381 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -12.056 0.100 -10.580 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -12.861 -1.339 -11.174 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -14.192 1.409 -11.079 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -13.331 0.808 -12.482 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -14.625 -2.026 -11.429 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -16.161 -1.969 -12.300 1.00 0.00 H new ATOM 1133 N MET A 158 -11.716 -1.494 -8.090 1.00 0.00 N ATOM 1134 CA MET A 158 -10.987 -2.546 -7.374 1.00 0.00 C ATOM 1135 C MET A 158 -11.561 -2.821 -5.980 1.00 0.00 C ATOM 1136 O MET A 158 -11.370 -3.919 -5.455 1.00 0.00 O ATOM 1137 CB MET A 158 -9.487 -2.222 -7.312 1.00 0.00 C ATOM 1138 CG MET A 158 -8.818 -2.347 -8.687 1.00 0.00 C ATOM 1139 SD MET A 158 -8.941 -3.983 -9.476 1.00 0.00 S ATOM 1140 CE MET A 158 -8.263 -5.012 -8.150 1.00 0.00 C ATOM 0 H MET A 158 -11.207 -0.615 -8.183 1.00 0.00 H new ATOM 0 HA MET A 158 -11.116 -3.467 -7.942 1.00 0.00 H new ATOM 0 HB2 MET A 158 -9.350 -1.210 -6.932 1.00 0.00 H new ATOM 0 HB3 MET A 158 -8.999 -2.896 -6.608 1.00 0.00 H new ATOM 0 HG2 MET A 158 -9.260 -1.607 -9.355 1.00 0.00 H new ATOM 0 HG3 MET A 158 -7.763 -2.092 -8.582 1.00 0.00 H new ATOM 0 HE1 MET A 158 -7.758 -5.876 -8.582 1.00 0.00 H new ATOM 0 HE2 MET A 158 -7.551 -4.430 -7.566 1.00 0.00 H new ATOM 0 HE3 MET A 158 -9.072 -5.351 -7.503 1.00 0.00 H new ATOM 1150 N GLY A 159 -12.290 -1.872 -5.393 1.00 0.00 N ATOM 1151 CA GLY A 159 -12.899 -2.014 -4.081 1.00 0.00 C ATOM 1152 C GLY A 159 -13.811 -3.236 -4.007 1.00 0.00 C ATOM 1153 O GLY A 159 -14.760 -3.369 -4.784 1.00 0.00 O ATOM 0 H GLY A 159 -12.474 -0.968 -5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -12.118 -2.097 -3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.473 -1.117 -3.848 1.00 0.00 H new ATOM 1157 N GLY A 160 -13.519 -4.146 -3.074 1.00 0.00 N ATOM 1158 CA GLY A 160 -14.294 -5.359 -2.848 1.00 0.00 C ATOM 1159 C GLY A 160 -13.945 -6.501 -3.793 1.00 0.00 C ATOM 1160 O GLY A 160 -14.503 -7.587 -3.637 1.00 0.00 O ATOM 0 H GLY A 160 -12.721 -4.054 -2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -14.140 -5.691 -1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -15.354 -5.126 -2.952 1.00 0.00 H new ATOM 1164 N GLN A 161 -13.084 -6.279 -4.791 1.00 0.00 N ATOM 1165 CA GLN A 161 -12.699 -7.342 -5.706 1.00 0.00 C ATOM 1166 C GLN A 161 -11.693 -8.251 -5.004 1.00 0.00 C ATOM 1167 O GLN A 161 -11.303 -8.010 -3.856 1.00 0.00 O ATOM 1168 CB GLN A 161 -12.175 -6.773 -7.037 1.00 0.00 C ATOM 1169 CG GLN A 161 -13.217 -5.891 -7.747 1.00 0.00 C ATOM 1170 CD GLN A 161 -14.555 -6.597 -7.986 1.00 0.00 C ATOM 1171 OE1 GLN A 161 -14.609 -7.784 -8.296 1.00 0.00 O ATOM 1172 NE2 GLN A 161 -15.683 -5.937 -7.798 1.00 0.00 N ATOM 0 H GLN A 161 -12.647 -5.377 -4.980 1.00 0.00 H new ATOM 0 HA GLN A 161 -13.570 -7.941 -5.972 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -11.275 -6.188 -6.850 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.890 -7.595 -7.694 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -13.390 -4.995 -7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -12.812 -5.564 -8.705 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -15.660 -4.950 -7.540 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -16.578 -6.414 -7.911 1.00 0.00 H new ATOM 1181 N TRP A 162 -11.319 -9.335 -5.676 1.00 0.00 N ATOM 1182 CA TRP A 162 -10.359 -10.300 -5.164 1.00 0.00 C ATOM 1183 C TRP A 162 -9.043 -10.094 -5.905 1.00 0.00 C ATOM 1184 O TRP A 162 -9.019 -9.511 -6.992 1.00 0.00 O ATOM 1185 CB TRP A 162 -10.889 -11.741 -5.265 1.00 0.00 C ATOM 1186 CG TRP A 162 -12.162 -12.104 -4.538 1.00 0.00 C ATOM 1187 CD1 TRP A 162 -13.326 -11.415 -4.546 1.00 0.00 C ATOM 1188 CD2 TRP A 162 -12.436 -13.285 -3.722 1.00 0.00 C ATOM 1189 NE1 TRP A 162 -14.306 -12.114 -3.879 1.00 0.00 N ATOM 1190 CE2 TRP A 162 -13.809 -13.275 -3.334 1.00 0.00 C ATOM 1191 CE3 TRP A 162 -11.655 -14.362 -3.257 1.00 0.00 C ATOM 1192 CZ2 TRP A 162 -14.378 -14.289 -2.550 1.00 0.00 C ATOM 1193 CZ3 TRP A 162 -12.206 -15.370 -2.442 1.00 0.00 C ATOM 1194 CH2 TRP A 162 -13.571 -15.350 -2.112 1.00 0.00 C ATOM 0 H TRP A 162 -11.679 -9.568 -6.601 1.00 0.00 H new ATOM 0 HA TRP A 162 -10.193 -10.138 -4.099 1.00 0.00 H new ATOM 0 HB2 TRP A 162 -11.038 -11.964 -6.322 1.00 0.00 H new ATOM 0 HB3 TRP A 162 -10.104 -12.407 -4.907 1.00 0.00 H new ATOM 0 HD1 TRP A 162 -13.467 -10.451 -5.011 1.00 0.00 H new ATOM 0 HE1 TRP A 162 -15.276 -11.810 -3.799 1.00 0.00 H new ATOM 0 HE3 TRP A 162 -10.612 -14.416 -3.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 -15.425 -14.254 -2.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 -11.575 -16.163 -2.069 1.00 0.00 H new ATOM 0 HH2 TRP A 162 -13.998 -16.148 -1.523 1.00 0.00 H new ATOM 1205 N LEU A 163 -7.949 -10.540 -5.296 1.00 0.00 N ATOM 1206 CA LEU A 163 -6.603 -10.446 -5.828 1.00 0.00 C ATOM 1207 C LEU A 163 -5.851 -11.688 -5.380 1.00 0.00 C ATOM 1208 O LEU A 163 -5.732 -11.915 -4.172 1.00 0.00 O ATOM 1209 CB LEU A 163 -5.928 -9.176 -5.280 1.00 0.00 C ATOM 1210 CG LEU A 163 -4.429 -9.063 -5.618 1.00 0.00 C ATOM 1211 CD1 LEU A 163 -4.197 -9.012 -7.123 1.00 0.00 C ATOM 1212 CD2 LEU A 163 -3.851 -7.792 -4.994 1.00 0.00 C ATOM 0 H LEU A 163 -7.982 -10.994 -4.383 1.00 0.00 H new ATOM 0 HA LEU A 163 -6.609 -10.385 -6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -6.446 -8.303 -5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -6.048 -9.153 -4.197 1.00 0.00 H new ATOM 0 HG LEU A 163 -3.934 -9.947 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -3.129 -8.932 -7.324 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -4.586 -9.921 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -4.710 -8.146 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -2.791 -7.717 -5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -4.376 -6.922 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -3.974 -7.830 -3.912 1.00 0.00 H new ATOM 1224 N GLY A 164 -5.355 -12.486 -6.324 1.00 0.00 N ATOM 1225 CA GLY A 164 -4.590 -13.695 -6.061 1.00 0.00 C ATOM 1226 C GLY A 164 -5.397 -14.866 -5.495 1.00 0.00 C ATOM 1227 O GLY A 164 -5.140 -16.013 -5.868 1.00 0.00 O ATOM 0 H GLY A 164 -5.480 -12.301 -7.319 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -4.117 -14.016 -6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -3.789 -13.454 -5.362 1.00 0.00 H new ATOM 1231 N GLY A 165 -6.348 -14.619 -4.595 1.00 0.00 N ATOM 1232 CA GLY A 165 -7.183 -15.647 -3.989 1.00 0.00 C ATOM 1233 C GLY A 165 -8.072 -15.163 -2.841 1.00 0.00 C ATOM 1234 O GLY A 165 -8.884 -15.964 -2.366 1.00 0.00 O ATOM 0 H GLY A 165 -6.561 -13.679 -4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -7.817 -16.081 -4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -6.540 -16.445 -3.619 1.00 0.00 H new ATOM 1238 N ARG A 166 -7.973 -13.901 -2.389 1.00 0.00 N ATOM 1239 CA ARG A 166 -8.805 -13.347 -1.307 1.00 0.00 C ATOM 1240 C ARG A 166 -9.258 -11.932 -1.686 1.00 0.00 C ATOM 1241 O ARG A 166 -8.682 -11.331 -2.593 1.00 0.00 O ATOM 1242 CB ARG A 166 -8.023 -13.347 0.022 1.00 0.00 C ATOM 1243 CG ARG A 166 -8.098 -14.679 0.781 1.00 0.00 C ATOM 1244 CD ARG A 166 -7.331 -14.605 2.110 1.00 0.00 C ATOM 1245 NE ARG A 166 -7.485 -15.827 2.916 1.00 0.00 N ATOM 1246 CZ ARG A 166 -6.599 -16.324 3.790 1.00 0.00 C ATOM 1247 NH1 ARG A 166 -5.470 -15.672 4.074 1.00 0.00 N ATOM 1248 NH2 ARG A 166 -6.828 -17.505 4.352 1.00 0.00 N ATOM 0 H ARG A 166 -7.306 -13.230 -2.769 1.00 0.00 H new ATOM 0 HA ARG A 166 -9.689 -13.970 -1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -6.978 -13.113 -0.181 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -8.409 -12.553 0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -9.140 -14.933 0.973 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -7.685 -15.476 0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -6.273 -14.438 1.907 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -7.685 -13.748 2.683 1.00 0.00 H new ATOM 0 HE ARG A 166 -8.354 -16.348 2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -5.269 -14.779 3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -4.808 -16.066 4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -7.673 -18.026 4.117 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -6.159 -17.891 5.018 1.00 0.00 H new ATOM 1262 N GLN A 167 -10.295 -11.402 -1.025 1.00 0.00 N ATOM 1263 CA GLN A 167 -10.807 -10.051 -1.287 1.00 0.00 C ATOM 1264 C GLN A 167 -9.825 -8.993 -0.790 1.00 0.00 C ATOM 1265 O GLN A 167 -9.033 -9.266 0.107 1.00 0.00 O ATOM 1266 CB GLN A 167 -12.155 -9.813 -0.593 1.00 0.00 C ATOM 1267 CG GLN A 167 -13.331 -10.314 -1.417 1.00 0.00 C ATOM 1268 CD GLN A 167 -14.660 -9.915 -0.791 1.00 0.00 C ATOM 1269 OE1 GLN A 167 -15.017 -10.354 0.299 1.00 0.00 O ATOM 1270 NE2 GLN A 167 -15.440 -9.067 -1.435 1.00 0.00 N ATOM 0 H GLN A 167 -10.803 -11.898 -0.293 1.00 0.00 H new ATOM 0 HA GLN A 167 -10.935 -9.970 -2.366 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -12.155 -10.313 0.375 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -12.278 -8.747 -0.401 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -13.267 -9.910 -2.427 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -13.280 -11.399 -1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -15.152 -8.697 -2.341 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -16.330 -8.782 -1.027 1.00 0.00 H new ATOM 1279 N ILE A 168 -9.925 -7.770 -1.310 1.00 0.00 N ATOM 1280 CA ILE A 168 -9.084 -6.635 -0.938 1.00 0.00 C ATOM 1281 C ILE A 168 -9.951 -5.411 -0.632 1.00 0.00 C ATOM 1282 O ILE A 168 -11.142 -5.360 -0.968 1.00 0.00 O ATOM 1283 CB ILE A 168 -8.069 -6.305 -2.060 1.00 0.00 C ATOM 1284 CG1 ILE A 168 -8.775 -5.978 -3.399 1.00 0.00 C ATOM 1285 CG2 ILE A 168 -7.068 -7.458 -2.228 1.00 0.00 C ATOM 1286 CD1 ILE A 168 -7.915 -5.191 -4.382 1.00 0.00 C ATOM 0 H ILE A 168 -10.615 -7.536 -2.024 1.00 0.00 H new ATOM 0 HA ILE A 168 -8.525 -6.906 -0.042 1.00 0.00 H new ATOM 0 HB ILE A 168 -7.522 -5.410 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 168 -9.085 -6.910 -3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 168 -9.681 -5.409 -3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 168 -6.360 -7.213 -3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 168 -6.528 -7.610 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 168 -7.604 -8.370 -2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 168 -8.483 -5.003 -5.293 1.00 0.00 H new ATOM 0 HD12 ILE A 168 -7.626 -4.241 -3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 168 -7.021 -5.765 -4.624 1.00 0.00 H new ATOM 1298 N ARG A 169 -9.350 -4.399 -0.003 1.00 0.00 N ATOM 1299 CA ARG A 169 -9.998 -3.132 0.337 1.00 0.00 C ATOM 1300 C ARG A 169 -9.199 -2.026 -0.334 1.00 0.00 C ATOM 1301 O ARG A 169 -7.978 -2.152 -0.466 1.00 0.00 O ATOM 1302 CB ARG A 169 -10.169 -2.927 1.857 1.00 0.00 C ATOM 1303 CG ARG A 169 -8.929 -3.110 2.734 1.00 0.00 C ATOM 1304 CD ARG A 169 -9.312 -3.055 4.225 1.00 0.00 C ATOM 1305 NE ARG A 169 -9.800 -4.363 4.691 1.00 0.00 N ATOM 1306 CZ ARG A 169 -10.214 -4.683 5.921 1.00 0.00 C ATOM 1307 NH1 ARG A 169 -10.728 -3.771 6.740 1.00 0.00 N ATOM 1308 NH2 ARG A 169 -10.117 -5.936 6.340 1.00 0.00 N ATOM 0 H ARG A 169 -8.374 -4.440 0.291 1.00 0.00 H new ATOM 0 HA ARG A 169 -11.023 -3.125 -0.035 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -10.552 -1.920 2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -10.935 -3.620 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -8.455 -4.065 2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -8.200 -2.331 2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -8.447 -2.754 4.816 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -10.082 -2.299 4.379 1.00 0.00 H new ATOM 0 HE ARG A 169 -9.825 -5.110 3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -10.814 -2.802 6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -11.037 -4.041 7.674 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -9.728 -6.651 5.725 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -10.431 -6.186 7.278 1.00 0.00 H new ATOM 1322 N THR A 170 -9.864 -0.948 -0.738 1.00 0.00 N ATOM 1323 CA THR A 170 -9.242 0.191 -1.404 1.00 0.00 C ATOM 1324 C THR A 170 -9.759 1.469 -0.762 1.00 0.00 C ATOM 1325 O THR A 170 -10.931 1.514 -0.388 1.00 0.00 O ATOM 1326 CB THR A 170 -9.580 0.179 -2.907 1.00 0.00 C ATOM 1327 OG1 THR A 170 -10.978 0.165 -3.096 1.00 0.00 O ATOM 1328 CG2 THR A 170 -9.097 -1.069 -3.650 1.00 0.00 C ATOM 0 H THR A 170 -10.870 -0.840 -0.609 1.00 0.00 H new ATOM 0 HA THR A 170 -8.159 0.134 -1.298 1.00 0.00 H new ATOM 0 HB THR A 170 -9.084 1.069 -3.295 1.00 0.00 H new ATOM 0 HG1 THR A 170 -11.289 1.071 -3.302 1.00 0.00 H new ATOM 0 HG21 THR A 170 -9.375 -0.997 -4.701 1.00 0.00 H new ATOM 0 HG22 THR A 170 -8.013 -1.146 -3.566 1.00 0.00 H new ATOM 0 HG23 THR A 170 -9.558 -1.954 -3.212 1.00 0.00 H new ATOM 1336 N ASN A 171 -8.937 2.503 -0.590 1.00 0.00 N ATOM 1337 CA ASN A 171 -9.393 3.760 -0.001 1.00 0.00 C ATOM 1338 C ASN A 171 -8.343 4.837 -0.247 1.00 0.00 C ATOM 1339 O ASN A 171 -7.223 4.519 -0.645 1.00 0.00 O ATOM 1340 CB ASN A 171 -9.618 3.599 1.521 1.00 0.00 C ATOM 1341 CG ASN A 171 -10.732 4.496 2.049 1.00 0.00 C ATOM 1342 OD1 ASN A 171 -11.040 5.541 1.474 1.00 0.00 O ATOM 1343 ND2 ASN A 171 -11.367 4.103 3.137 1.00 0.00 N ATOM 0 H ASN A 171 -7.951 2.494 -0.851 1.00 0.00 H new ATOM 0 HA ASN A 171 -10.338 4.045 -0.464 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -9.860 2.559 1.740 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -8.692 3.829 2.047 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -12.127 4.668 3.516 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -11.098 3.235 3.599 1.00 0.00 H new ATOM 1350 N TRP A 172 -8.666 6.106 -0.016 1.00 0.00 N ATOM 1351 CA TRP A 172 -7.705 7.186 -0.190 1.00 0.00 C ATOM 1352 C TRP A 172 -6.657 7.006 0.913 1.00 0.00 C ATOM 1353 O TRP A 172 -7.014 6.871 2.092 1.00 0.00 O ATOM 1354 CB TRP A 172 -8.420 8.543 -0.164 1.00 0.00 C ATOM 1355 CG TRP A 172 -9.092 8.845 -1.471 1.00 0.00 C ATOM 1356 CD1 TRP A 172 -10.414 8.733 -1.756 1.00 0.00 C ATOM 1357 CD2 TRP A 172 -8.444 9.194 -2.731 1.00 0.00 C ATOM 1358 NE1 TRP A 172 -10.619 8.955 -3.108 1.00 0.00 N ATOM 1359 CE2 TRP A 172 -9.432 9.209 -3.749 1.00 0.00 C ATOM 1360 CE3 TRP A 172 -7.117 9.453 -3.139 1.00 0.00 C ATOM 1361 CZ2 TRP A 172 -9.110 9.420 -5.089 1.00 0.00 C ATOM 1362 CZ3 TRP A 172 -6.800 9.724 -4.486 1.00 0.00 C ATOM 1363 CH2 TRP A 172 -7.798 9.703 -5.477 1.00 0.00 C ATOM 0 H TRP A 172 -9.589 6.410 0.293 1.00 0.00 H new ATOM 0 HA TRP A 172 -7.205 7.157 -1.158 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -9.161 8.548 0.635 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -7.700 9.329 0.064 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -11.188 8.505 -1.038 1.00 0.00 H new ATOM 0 HE1 TRP A 172 -11.530 8.933 -3.566 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -6.327 9.443 -2.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 -9.886 9.364 -5.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -5.780 9.950 -4.760 1.00 0.00 H new ATOM 0 HH2 TRP A 172 -7.556 9.901 -6.511 1.00 0.00 H new ATOM 1374 N ALA A 173 -5.371 6.956 0.548 1.00 0.00 N ATOM 1375 CA ALA A 173 -4.298 6.766 1.521 1.00 0.00 C ATOM 1376 C ALA A 173 -4.137 7.948 2.473 1.00 0.00 C ATOM 1377 O ALA A 173 -3.628 7.765 3.581 1.00 0.00 O ATOM 1378 CB ALA A 173 -2.969 6.540 0.802 1.00 0.00 C ATOM 0 H ALA A 173 -5.051 7.045 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 173 -4.576 5.894 2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -2.177 6.400 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -3.042 5.653 0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -2.739 7.406 0.182 1.00 0.00 H new