USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=15 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 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 140 TYR OH : rot -30:sc= -1.36 USER MOD Set 2.1: A 98 HIS : no HD1:sc= 0.179 X(o=0.37,f=-0.061) USER MOD Set 2.2: A 144 SER OG : rot -88:sc= 0.191 USER MOD Single : A 96 HIS : no HD1:sc= -4.66! C(o=-4.7!,f=-5.9!) USER MOD Single : A 105 SER OG : rot 178:sc= -0.364 USER MOD Single : A 109 THR OG1 : rot 180:sc= -2.49! USER MOD Single : A 110 THR OG1 : rot 80:sc= -3.21! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -140:sc= -0.0766 (180deg=-0.0931) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.114) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0.00432 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 180:sc= -0.205 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 148 LYS NZ :NH3+ -154:sc= 0.00908 (180deg=0) USER MOD Single : A 153 ASN : amide:sc= -0.0979 K(o=-0.098,f=-1.5!) USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 158 MET CE :methyl -144:sc= -0.117 (180deg=-0.84) USER MOD Single : A 161 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.019) USER MOD Single : A 167 GLN : amide:sc= -0.604 X(o=-0.6,f=-0.61) USER MOD Single : A 170 THR OG1 : rot 101:sc= 0.993 USER MOD Single : A 171 ASN : amide:sc= -4.54! C(o=-4.5!,f=-8.9!) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 -3.277 18.533 -0.082 1.00 0.00 N ATOM 179 CA HIS A 96 -2.341 17.455 -0.383 1.00 0.00 C ATOM 180 C HIS A 96 -2.787 16.678 -1.618 1.00 0.00 C ATOM 181 O HIS A 96 -3.981 16.482 -1.843 1.00 0.00 O ATOM 182 CB HIS A 96 -2.219 16.509 0.812 1.00 0.00 C ATOM 183 CG HIS A 96 -2.055 17.217 2.122 1.00 0.00 C ATOM 184 ND1 HIS A 96 -2.376 16.642 3.333 1.00 0.00 N ATOM 185 CD2 HIS A 96 -1.599 18.459 2.406 1.00 0.00 C ATOM 186 CE1 HIS A 96 -2.127 17.500 4.306 1.00 0.00 C ATOM 187 NE2 HIS A 96 -1.654 18.611 3.769 1.00 0.00 N ATOM 0 HA HIS A 96 -1.367 17.899 -0.587 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.107 15.878 0.858 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.366 15.848 0.656 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.256 19.194 1.693 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.283 17.324 5.360 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.375 19.446 4.284 1.00 0.00 H new ATOM 196 N PHE A 97 -1.819 16.239 -2.416 1.00 0.00 N ATOM 197 CA PHE A 97 -2.112 15.485 -3.630 1.00 0.00 C ATOM 198 C PHE A 97 -2.134 13.985 -3.346 1.00 0.00 C ATOM 199 O PHE A 97 -1.305 13.472 -2.594 1.00 0.00 O ATOM 200 CB PHE A 97 -1.075 15.796 -4.711 1.00 0.00 C ATOM 201 CG PHE A 97 -1.101 17.225 -5.172 1.00 0.00 C ATOM 202 CD1 PHE A 97 -0.839 18.257 -4.286 1.00 0.00 C ATOM 203 CD2 PHE A 97 -1.386 17.536 -6.492 1.00 0.00 C ATOM 204 CE1 PHE A 97 -0.862 19.573 -4.708 1.00 0.00 C ATOM 205 CE2 PHE A 97 -1.411 18.850 -6.920 1.00 0.00 C ATOM 206 CZ PHE A 97 -1.147 19.870 -6.026 1.00 0.00 C ATOM 0 H PHE A 97 -0.825 16.392 -2.244 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.098 15.784 -3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.081 15.564 -4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.247 15.143 -5.567 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.614 18.031 -3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.591 16.742 -7.195 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.657 20.369 -4.007 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.636 19.079 -7.951 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.164 20.898 -6.358 1.00 0.00 H new ATOM 216 N HIS A 98 -3.089 13.288 -3.954 1.00 0.00 N ATOM 217 CA HIS A 98 -3.219 11.848 -3.769 1.00 0.00 C ATOM 218 C HIS A 98 -2.464 11.089 -4.855 1.00 0.00 C ATOM 219 O HIS A 98 -2.596 11.388 -6.042 1.00 0.00 O ATOM 220 CB HIS A 98 -4.694 11.443 -3.779 1.00 0.00 C ATOM 221 CG HIS A 98 -5.476 12.000 -2.629 1.00 0.00 C ATOM 222 ND1 HIS A 98 -5.029 11.961 -1.325 1.00 0.00 N ATOM 223 CD2 HIS A 98 -6.682 12.613 -2.594 1.00 0.00 C ATOM 224 CE1 HIS A 98 -5.927 12.524 -0.537 1.00 0.00 C ATOM 225 NE2 HIS A 98 -6.939 12.929 -1.282 1.00 0.00 N ATOM 0 H HIS A 98 -3.784 13.698 -4.579 1.00 0.00 H new ATOM 0 HA HIS A 98 -2.785 11.590 -2.803 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.148 11.777 -4.712 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.764 10.355 -3.762 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -7.323 12.816 -3.439 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -5.847 12.634 0.534 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -7.776 13.400 -0.939 1.00 0.00 H new ATOM 234 N VAL A 99 -1.670 10.105 -4.441 1.00 0.00 N ATOM 235 CA VAL A 99 -0.894 9.304 -5.379 1.00 0.00 C ATOM 236 C VAL A 99 -1.200 7.819 -5.217 1.00 0.00 C ATOM 237 O VAL A 99 -1.159 7.283 -4.109 1.00 0.00 O ATOM 238 CB VAL A 99 0.618 9.528 -5.191 1.00 0.00 C ATOM 239 CG1 VAL A 99 1.408 8.738 -6.223 1.00 0.00 C ATOM 240 CG2 VAL A 99 0.951 11.011 -5.274 1.00 0.00 C ATOM 0 H VAL A 99 -1.548 9.844 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.180 9.624 -6.381 1.00 0.00 H new ATOM 0 HB VAL A 99 0.900 9.170 -4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.474 8.909 -6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.192 7.675 -6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.125 9.062 -7.224 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.023 11.151 -5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.655 11.396 -6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.414 11.549 -4.493 1.00 0.00 H new ATOM 250 N PHE A 100 -1.505 7.159 -6.329 1.00 0.00 N ATOM 251 CA PHE A 100 -1.819 5.735 -6.311 1.00 0.00 C ATOM 252 C PHE A 100 -0.608 4.906 -6.729 1.00 0.00 C ATOM 253 O PHE A 100 0.226 5.356 -7.515 1.00 0.00 O ATOM 254 CB PHE A 100 -2.999 5.439 -7.239 1.00 0.00 C ATOM 255 CG PHE A 100 -3.088 3.998 -7.653 1.00 0.00 C ATOM 256 CD1 PHE A 100 -2.263 3.496 -8.646 1.00 0.00 C ATOM 257 CD2 PHE A 100 -3.999 3.145 -7.050 1.00 0.00 C ATOM 258 CE1 PHE A 100 -2.343 2.170 -9.030 1.00 0.00 C ATOM 259 CE2 PHE A 100 -4.083 1.819 -7.429 1.00 0.00 C ATOM 260 CZ PHE A 100 -3.255 1.331 -8.421 1.00 0.00 C ATOM 0 H PHE A 100 -1.541 7.587 -7.254 1.00 0.00 H new ATOM 0 HA PHE A 100 -2.090 5.461 -5.291 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.925 5.723 -6.739 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.915 6.061 -8.130 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.549 4.148 -9.126 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.651 3.521 -6.275 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.693 1.791 -9.805 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.796 1.164 -6.950 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.321 0.295 -8.720 1.00 0.00 H new ATOM 270 N VAL A 101 -0.517 3.691 -6.196 1.00 0.00 N ATOM 271 CA VAL A 101 0.591 2.798 -6.513 1.00 0.00 C ATOM 272 C VAL A 101 0.101 1.372 -6.737 1.00 0.00 C ATOM 273 O VAL A 101 -0.648 0.827 -5.926 1.00 0.00 O ATOM 274 CB VAL A 101 1.649 2.796 -5.394 1.00 0.00 C ATOM 275 CG1 VAL A 101 2.841 1.938 -5.787 1.00 0.00 C ATOM 276 CG2 VAL A 101 2.086 4.217 -5.072 1.00 0.00 C ATOM 0 H VAL A 101 -1.198 3.303 -5.543 1.00 0.00 H new ATOM 0 HA VAL A 101 1.045 3.171 -7.431 1.00 0.00 H new ATOM 0 HB VAL A 101 1.203 2.366 -4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.578 1.949 -4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.510 0.914 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.291 2.335 -6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.834 4.197 -4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.514 4.677 -5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.224 4.797 -4.743 1.00 0.00 H new ATOM 286 N GLY A 102 0.528 0.771 -7.843 1.00 0.00 N ATOM 287 CA GLY A 102 0.123 -0.587 -8.154 1.00 0.00 C ATOM 288 C GLY A 102 1.306 -1.517 -8.342 1.00 0.00 C ATOM 289 O GLY A 102 2.455 -1.076 -8.349 1.00 0.00 O ATOM 0 H GLY A 102 1.148 1.201 -8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.510 -0.967 -7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.481 -0.584 -9.062 1.00 0.00 H new ATOM 293 N ASP A 103 1.025 -2.806 -8.493 1.00 0.00 N ATOM 294 CA ASP A 103 2.075 -3.801 -8.682 1.00 0.00 C ATOM 295 C ASP A 103 3.004 -3.846 -7.472 1.00 0.00 C ATOM 296 O ASP A 103 4.212 -4.040 -7.611 1.00 0.00 O ATOM 297 CB ASP A 103 2.878 -3.492 -9.946 1.00 0.00 C ATOM 298 CG ASP A 103 2.096 -3.779 -11.213 1.00 0.00 C ATOM 299 OD1 ASP A 103 1.349 -2.886 -11.665 1.00 0.00 O ATOM 300 OD2 ASP A 103 2.232 -4.897 -11.753 1.00 0.00 O ATOM 0 H ASP A 103 0.079 -3.187 -8.488 1.00 0.00 H new ATOM 0 HA ASP A 103 1.602 -4.777 -8.791 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.176 -2.444 -9.936 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.793 -4.084 -9.945 1.00 0.00 H new ATOM 305 N LEU A 104 2.432 -3.665 -6.287 1.00 0.00 N ATOM 306 CA LEU A 104 3.209 -3.684 -5.052 1.00 0.00 C ATOM 307 C LEU A 104 3.492 -5.115 -4.609 1.00 0.00 C ATOM 308 O LEU A 104 2.586 -5.839 -4.198 1.00 0.00 O ATOM 309 CB LEU A 104 2.465 -2.933 -3.947 1.00 0.00 C ATOM 310 CG LEU A 104 2.535 -1.407 -4.007 1.00 0.00 C ATOM 311 CD1 LEU A 104 1.556 -0.788 -3.021 1.00 0.00 C ATOM 312 CD2 LEU A 104 3.951 -0.927 -3.727 1.00 0.00 C ATOM 0 H LEU A 104 1.434 -3.503 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 104 4.161 -3.188 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.417 -3.230 -3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.861 -3.257 -2.985 1.00 0.00 H new ATOM 0 HG LEU A 104 2.257 -1.089 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.620 0.299 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.543 -1.105 -3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.803 -1.113 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.982 0.162 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.257 -1.256 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.630 -1.342 -4.472 1.00 0.00 H new ATOM 324 N SER A 105 4.757 -5.517 -4.694 1.00 0.00 N ATOM 325 CA SER A 105 5.159 -6.863 -4.303 1.00 0.00 C ATOM 326 C SER A 105 4.401 -7.317 -3.059 1.00 0.00 C ATOM 327 O SER A 105 3.970 -6.510 -2.235 1.00 0.00 O ATOM 328 CB SER A 105 6.666 -6.911 -4.042 1.00 0.00 C ATOM 329 OG SER A 105 6.986 -7.906 -3.085 1.00 0.00 O ATOM 0 H SER A 105 5.520 -4.930 -5.030 1.00 0.00 H new ATOM 0 HA SER A 105 4.917 -7.541 -5.122 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.193 -7.115 -4.974 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.008 -5.938 -3.688 1.00 0.00 H new ATOM 0 HG SER A 105 7.958 -7.943 -2.964 1.00 0.00 H new ATOM 335 N PRO A 106 4.235 -8.640 -2.919 1.00 0.00 N ATOM 336 CA PRO A 106 3.529 -9.233 -1.779 1.00 0.00 C ATOM 337 C PRO A 106 4.312 -9.095 -0.478 1.00 0.00 C ATOM 338 O PRO A 106 3.764 -9.279 0.608 1.00 0.00 O ATOM 339 CB PRO A 106 3.399 -10.707 -2.171 1.00 0.00 C ATOM 340 CG PRO A 106 4.524 -10.950 -3.116 1.00 0.00 C ATOM 341 CD PRO A 106 4.723 -9.660 -3.863 1.00 0.00 C ATOM 0 HA PRO A 106 2.574 -8.742 -1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.468 -11.356 -1.298 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.437 -10.908 -2.642 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.430 -11.234 -2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.290 -11.765 -3.801 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.771 -9.502 -4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.161 -9.645 -4.797 1.00 0.00 H new ATOM 349 N GLU A 107 5.596 -8.770 -0.596 1.00 0.00 N ATOM 350 CA GLU A 107 6.453 -8.608 0.572 1.00 0.00 C ATOM 351 C GLU A 107 6.441 -7.162 1.060 1.00 0.00 C ATOM 352 O GLU A 107 7.013 -6.843 2.102 1.00 0.00 O ATOM 353 CB GLU A 107 7.885 -9.035 0.245 1.00 0.00 C ATOM 354 CG GLU A 107 8.914 -8.529 1.242 1.00 0.00 C ATOM 355 CD GLU A 107 10.190 -9.348 1.230 1.00 0.00 C ATOM 356 OE1 GLU A 107 10.199 -10.440 1.835 1.00 0.00 O ATOM 357 OE2 GLU A 107 11.180 -8.897 0.615 1.00 0.00 O ATOM 0 H GLU A 107 6.065 -8.614 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 107 6.064 -9.245 1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.931 -10.123 0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.145 -8.672 -0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.152 -7.489 1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.484 -8.548 2.243 1.00 0.00 H new ATOM 364 N ILE A 108 5.786 -6.292 0.298 1.00 0.00 N ATOM 365 CA ILE A 108 5.699 -4.881 0.652 1.00 0.00 C ATOM 366 C ILE A 108 4.860 -4.681 1.909 1.00 0.00 C ATOM 367 O ILE A 108 4.014 -5.511 2.245 1.00 0.00 O ATOM 368 CB ILE A 108 5.092 -4.050 -0.494 1.00 0.00 C ATOM 369 CG1 ILE A 108 5.834 -4.328 -1.803 1.00 0.00 C ATOM 370 CG2 ILE A 108 5.141 -2.567 -0.156 1.00 0.00 C ATOM 371 CD1 ILE A 108 7.264 -3.835 -1.804 1.00 0.00 C ATOM 0 H ILE A 108 5.308 -6.540 -0.568 1.00 0.00 H new ATOM 0 HA ILE A 108 6.717 -4.539 0.839 1.00 0.00 H new ATOM 0 HB ILE A 108 4.049 -4.340 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.828 -5.401 -1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.295 -3.856 -2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.709 -1.993 -0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.573 -2.383 0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.177 -2.262 -0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.728 -4.066 -2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.277 -2.757 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.819 -4.326 -1.005 1.00 0.00 H new ATOM 383 N THR A 109 5.097 -3.571 2.602 1.00 0.00 N ATOM 384 CA THR A 109 4.363 -3.260 3.822 1.00 0.00 C ATOM 385 C THR A 109 4.144 -1.758 3.964 1.00 0.00 C ATOM 386 O THR A 109 4.878 -0.955 3.388 1.00 0.00 O ATOM 387 CB THR A 109 5.102 -3.780 5.070 1.00 0.00 C ATOM 388 OG1 THR A 109 6.381 -3.146 5.181 1.00 0.00 O ATOM 389 CG2 THR A 109 5.282 -5.289 5.003 1.00 0.00 C ATOM 0 H THR A 109 5.792 -2.872 2.339 1.00 0.00 H new ATOM 0 HA THR A 109 3.397 -3.760 3.746 1.00 0.00 H new ATOM 0 HB THR A 109 4.501 -3.541 5.947 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.844 -3.481 5.977 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.806 -5.633 5.895 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.305 -5.770 4.948 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.864 -5.547 4.118 1.00 0.00 H new ATOM 397 N THR A 110 3.129 -1.383 4.737 1.00 0.00 N ATOM 398 CA THR A 110 2.812 0.023 4.954 1.00 0.00 C ATOM 399 C THR A 110 4.025 0.784 5.478 1.00 0.00 C ATOM 400 O THR A 110 4.265 1.927 5.091 1.00 0.00 O ATOM 401 CB THR A 110 1.647 0.189 5.948 1.00 0.00 C ATOM 402 OG1 THR A 110 0.524 -0.590 5.521 1.00 0.00 O ATOM 403 CG2 THR A 110 1.241 1.650 6.066 1.00 0.00 C ATOM 0 H THR A 110 2.512 -2.034 5.223 1.00 0.00 H new ATOM 0 HA THR A 110 2.517 0.434 3.989 1.00 0.00 H new ATOM 0 HB THR A 110 1.980 -0.160 6.926 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.660 -1.527 5.775 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.417 1.743 6.773 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.090 2.236 6.419 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.925 2.020 5.090 1.00 0.00 H new ATOM 411 N GLU A 111 4.785 0.143 6.360 1.00 0.00 N ATOM 412 CA GLU A 111 5.973 0.762 6.937 1.00 0.00 C ATOM 413 C GLU A 111 7.089 0.866 5.901 1.00 0.00 C ATOM 414 O GLU A 111 8.046 1.620 6.078 1.00 0.00 O ATOM 415 CB GLU A 111 6.457 -0.041 8.146 1.00 0.00 C ATOM 416 CG GLU A 111 7.310 0.767 9.110 1.00 0.00 C ATOM 417 CD GLU A 111 8.040 -0.105 10.114 1.00 0.00 C ATOM 418 OE1 GLU A 111 7.420 -0.487 11.128 1.00 0.00 O ATOM 419 OE2 GLU A 111 9.231 -0.404 9.885 1.00 0.00 O ATOM 0 H GLU A 111 4.600 -0.804 6.691 1.00 0.00 H new ATOM 0 HA GLU A 111 5.707 1.768 7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.592 -0.434 8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.032 -0.898 7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 111 8.037 1.351 8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.677 1.476 9.643 1.00 0.00 H new ATOM 426 N ASP A 112 6.959 0.104 4.821 1.00 0.00 N ATOM 427 CA ASP A 112 7.955 0.110 3.756 1.00 0.00 C ATOM 428 C ASP A 112 7.696 1.249 2.776 1.00 0.00 C ATOM 429 O ASP A 112 8.615 1.976 2.397 1.00 0.00 O ATOM 430 CB ASP A 112 7.949 -1.228 3.015 1.00 0.00 C ATOM 431 CG ASP A 112 8.514 -2.358 3.854 1.00 0.00 C ATOM 432 OD1 ASP A 112 8.791 -2.127 5.050 1.00 0.00 O ATOM 433 OD2 ASP A 112 8.680 -3.472 3.315 1.00 0.00 O ATOM 0 H ASP A 112 6.173 -0.526 4.660 1.00 0.00 H new ATOM 0 HA ASP A 112 8.935 0.261 4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 112 6.928 -1.473 2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 112 8.531 -1.135 2.098 1.00 0.00 H new ATOM 438 N ILE A 113 6.440 1.399 2.369 1.00 0.00 N ATOM 439 CA ILE A 113 6.060 2.450 1.433 1.00 0.00 C ATOM 440 C ILE A 113 6.304 3.832 2.030 1.00 0.00 C ATOM 441 O ILE A 113 6.737 4.752 1.337 1.00 0.00 O ATOM 442 CB ILE A 113 4.580 2.332 1.024 1.00 0.00 C ATOM 443 CG1 ILE A 113 4.317 0.977 0.364 1.00 0.00 C ATOM 444 CG2 ILE A 113 4.198 3.468 0.087 1.00 0.00 C ATOM 445 CD1 ILE A 113 3.016 0.923 -0.405 1.00 0.00 C ATOM 0 H ILE A 113 5.668 0.806 2.673 1.00 0.00 H new ATOM 0 HA ILE A 113 6.683 2.325 0.547 1.00 0.00 H new ATOM 0 HB ILE A 113 3.963 2.403 1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.140 0.746 -0.313 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.308 0.203 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.149 3.371 -0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.352 4.422 0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.818 3.425 -0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.895 -0.066 -0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.185 1.123 0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.029 1.673 -1.195 1.00 0.00 H new ATOM 457 N LYS A 114 6.023 3.969 3.322 1.00 0.00 N ATOM 458 CA LYS A 114 6.214 5.238 4.015 1.00 0.00 C ATOM 459 C LYS A 114 7.674 5.676 3.957 1.00 0.00 C ATOM 460 O LYS A 114 7.971 6.865 3.848 1.00 0.00 O ATOM 461 CB LYS A 114 5.764 5.118 5.473 1.00 0.00 C ATOM 462 CG LYS A 114 4.255 5.146 5.648 1.00 0.00 C ATOM 463 CD LYS A 114 3.866 5.483 7.078 1.00 0.00 C ATOM 464 CE LYS A 114 3.727 6.985 7.278 1.00 0.00 C ATOM 465 NZ LYS A 114 3.715 7.353 8.721 1.00 0.00 N ATOM 0 H LYS A 114 5.663 3.217 3.910 1.00 0.00 H new ATOM 0 HA LYS A 114 5.607 5.992 3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.152 4.188 5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.203 5.933 6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.823 5.881 4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.838 4.177 5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.924 4.993 7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.618 5.092 7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.551 7.496 6.780 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.807 7.331 6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 3.619 8.384 8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 2.914 6.886 9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.604 7.046 9.165 1.00 0.00 H new ATOM 479 N SER A 115 8.581 4.707 4.029 1.00 0.00 N ATOM 480 CA SER A 115 10.010 4.993 3.987 1.00 0.00 C ATOM 481 C SER A 115 10.539 4.909 2.559 1.00 0.00 C ATOM 482 O SER A 115 11.597 5.453 2.244 1.00 0.00 O ATOM 483 CB SER A 115 10.774 4.018 4.885 1.00 0.00 C ATOM 484 OG SER A 115 12.083 4.489 5.152 1.00 0.00 O ATOM 0 H SER A 115 8.351 3.717 4.117 1.00 0.00 H new ATOM 0 HA SER A 115 10.163 6.008 4.353 1.00 0.00 H new ATOM 0 HB2 SER A 115 10.234 3.883 5.822 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.827 3.041 4.404 1.00 0.00 H new ATOM 0 HG SER A 115 12.550 3.849 5.729 1.00 0.00 H new ATOM 490 N ALA A 116 9.795 4.221 1.698 1.00 0.00 N ATOM 491 CA ALA A 116 10.187 4.066 0.303 1.00 0.00 C ATOM 492 C ALA A 116 9.751 5.269 -0.527 1.00 0.00 C ATOM 493 O ALA A 116 10.242 5.482 -1.635 1.00 0.00 O ATOM 494 CB ALA A 116 9.598 2.786 -0.271 1.00 0.00 C ATOM 0 H ALA A 116 8.917 3.762 1.943 1.00 0.00 H new ATOM 0 HA ALA A 116 11.274 4.004 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 116 9.899 2.683 -1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.962 1.931 0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.510 2.826 -0.209 1.00 0.00 H new ATOM 500 N PHE A 117 8.826 6.053 0.017 1.00 0.00 N ATOM 501 CA PHE A 117 8.322 7.234 -0.674 1.00 0.00 C ATOM 502 C PHE A 117 8.692 8.506 0.083 1.00 0.00 C ATOM 503 O PHE A 117 8.479 9.616 -0.405 1.00 0.00 O ATOM 504 CB PHE A 117 6.803 7.148 -0.837 1.00 0.00 C ATOM 505 CG PHE A 117 6.369 6.198 -1.917 1.00 0.00 C ATOM 506 CD1 PHE A 117 6.532 4.831 -1.761 1.00 0.00 C ATOM 507 CD2 PHE A 117 5.800 6.672 -3.087 1.00 0.00 C ATOM 508 CE1 PHE A 117 6.133 3.954 -2.752 1.00 0.00 C ATOM 509 CE2 PHE A 117 5.399 5.800 -4.081 1.00 0.00 C ATOM 510 CZ PHE A 117 5.567 4.439 -3.914 1.00 0.00 C ATOM 0 H PHE A 117 8.410 5.892 0.934 1.00 0.00 H new ATOM 0 HA PHE A 117 8.784 7.271 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.361 6.836 0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 117 6.413 8.141 -1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 117 6.976 4.446 -0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 117 5.668 7.735 -3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 117 6.264 2.890 -2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.954 6.182 -4.988 1.00 0.00 H new ATOM 0 HZ PHE A 117 5.256 3.756 -4.691 1.00 0.00 H new ATOM 520 N ALA A 118 9.247 8.336 1.278 1.00 0.00 N ATOM 521 CA ALA A 118 9.649 9.469 2.103 1.00 0.00 C ATOM 522 C ALA A 118 10.665 10.344 1.377 1.00 0.00 C ATOM 523 O ALA A 118 10.564 11.571 1.359 1.00 0.00 O ATOM 524 CB ALA A 118 10.218 8.983 3.427 1.00 0.00 C ATOM 0 H ALA A 118 9.429 7.424 1.697 1.00 0.00 H new ATOM 0 HA ALA A 118 8.764 10.074 2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.514 9.840 4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.461 8.407 3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 118 11.088 8.353 3.240 1.00 0.00 H new ATOM 530 N PRO A 119 11.669 9.700 0.763 1.00 0.00 N ATOM 531 CA PRO A 119 12.724 10.401 0.024 1.00 0.00 C ATOM 532 C PRO A 119 12.164 11.446 -0.935 1.00 0.00 C ATOM 533 O PRO A 119 12.881 12.341 -1.382 1.00 0.00 O ATOM 534 CB PRO A 119 13.418 9.279 -0.752 1.00 0.00 C ATOM 535 CG PRO A 119 13.168 8.051 0.052 1.00 0.00 C ATOM 536 CD PRO A 119 11.852 8.239 0.743 1.00 0.00 C ATOM 0 HA PRO A 119 13.389 10.953 0.688 1.00 0.00 H new ATOM 0 HB2 PRO A 119 13.010 9.183 -1.758 1.00 0.00 H new ATOM 0 HB3 PRO A 119 14.485 9.472 -0.858 1.00 0.00 H new ATOM 0 HG2 PRO A 119 13.145 7.169 -0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 119 13.966 7.897 0.778 1.00 0.00 H new ATOM 0 HD2 PRO A 119 11.044 7.742 0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 119 11.867 7.824 1.751 1.00 0.00 H new ATOM 544 N PHE A 120 10.878 11.326 -1.247 1.00 0.00 N ATOM 545 CA PHE A 120 10.221 12.260 -2.154 1.00 0.00 C ATOM 546 C PHE A 120 9.635 13.442 -1.388 1.00 0.00 C ATOM 547 O PHE A 120 9.658 14.577 -1.862 1.00 0.00 O ATOM 548 CB PHE A 120 9.117 11.550 -2.941 1.00 0.00 C ATOM 549 CG PHE A 120 9.584 10.304 -3.637 1.00 0.00 C ATOM 550 CD1 PHE A 120 10.538 10.371 -4.640 1.00 0.00 C ATOM 551 CD2 PHE A 120 9.069 9.066 -3.289 1.00 0.00 C ATOM 552 CE1 PHE A 120 10.968 9.226 -5.283 1.00 0.00 C ATOM 553 CE2 PHE A 120 9.496 7.917 -3.928 1.00 0.00 C ATOM 554 CZ PHE A 120 10.448 7.997 -4.926 1.00 0.00 C ATOM 0 H PHE A 120 10.270 10.591 -0.885 1.00 0.00 H new ATOM 0 HA PHE A 120 10.970 12.637 -2.851 1.00 0.00 H new ATOM 0 HB2 PHE A 120 8.304 11.294 -2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 120 8.709 12.239 -3.681 1.00 0.00 H new ATOM 0 HD1 PHE A 120 10.950 11.329 -4.922 1.00 0.00 H new ATOM 0 HD2 PHE A 120 8.325 8.998 -2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 120 11.710 9.292 -6.065 1.00 0.00 H new ATOM 0 HE2 PHE A 120 9.086 6.958 -3.647 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.785 7.101 -5.426 1.00 0.00 H new ATOM 564 N GLY A 121 9.110 13.166 -0.198 1.00 0.00 N ATOM 565 CA GLY A 121 8.524 14.216 0.616 1.00 0.00 C ATOM 566 C GLY A 121 7.833 13.674 1.851 1.00 0.00 C ATOM 567 O GLY A 121 7.944 12.489 2.165 1.00 0.00 O ATOM 0 H GLY A 121 9.080 12.235 0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 121 9.304 14.916 0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.806 14.777 0.018 1.00 0.00 H new ATOM 571 N LYS A 122 7.117 14.544 2.556 1.00 0.00 N ATOM 572 CA LYS A 122 6.404 14.147 3.764 1.00 0.00 C ATOM 573 C LYS A 122 5.114 13.410 3.418 1.00 0.00 C ATOM 574 O LYS A 122 4.234 13.958 2.754 1.00 0.00 O ATOM 575 CB LYS A 122 6.087 15.375 4.621 1.00 0.00 C ATOM 576 CG LYS A 122 6.179 15.116 6.114 1.00 0.00 C ATOM 577 CD LYS A 122 5.484 13.820 6.499 1.00 0.00 C ATOM 578 CE LYS A 122 3.972 13.980 6.507 1.00 0.00 C ATOM 579 NZ LYS A 122 3.483 14.570 7.784 1.00 0.00 N ATOM 0 H LYS A 122 7.015 15.529 2.311 1.00 0.00 H new ATOM 0 HA LYS A 122 7.047 13.472 4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 122 6.775 16.179 4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.082 15.724 4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.226 15.071 6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.728 15.947 6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.764 13.034 5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.823 13.503 7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.670 14.615 5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.503 13.008 6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 2.603 14.095 8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.203 14.442 8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 3.301 15.585 7.650 1.00 0.00 H new ATOM 593 N ILE A 123 5.009 12.166 3.873 1.00 0.00 N ATOM 594 CA ILE A 123 3.826 11.355 3.613 1.00 0.00 C ATOM 595 C ILE A 123 2.803 11.501 4.734 1.00 0.00 C ATOM 596 O ILE A 123 2.939 10.893 5.796 1.00 0.00 O ATOM 597 CB ILE A 123 4.187 9.867 3.453 1.00 0.00 C ATOM 598 CG1 ILE A 123 5.095 9.667 2.238 1.00 0.00 C ATOM 599 CG2 ILE A 123 2.925 9.027 3.322 1.00 0.00 C ATOM 600 CD1 ILE A 123 5.711 8.288 2.163 1.00 0.00 C ATOM 0 H ILE A 123 5.729 11.698 4.423 1.00 0.00 H new ATOM 0 HA ILE A 123 3.394 11.717 2.680 1.00 0.00 H new ATOM 0 HB ILE A 123 4.726 9.542 4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.519 9.848 1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.891 10.411 2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 123 3.197 7.977 3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.312 9.150 4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 123 2.361 9.351 2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.342 8.219 1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.315 8.110 3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.921 7.539 2.105 1.00 0.00 H new ATOM 612 N SER A 124 1.777 12.310 4.491 1.00 0.00 N ATOM 613 CA SER A 124 0.730 12.538 5.481 1.00 0.00 C ATOM 614 C SER A 124 -0.095 11.273 5.699 1.00 0.00 C ATOM 615 O SER A 124 -0.660 11.065 6.773 1.00 0.00 O ATOM 616 CB SER A 124 -0.180 13.685 5.037 1.00 0.00 C ATOM 617 OG SER A 124 -0.855 13.364 3.833 1.00 0.00 O ATOM 0 H SER A 124 1.648 12.819 3.617 1.00 0.00 H new ATOM 0 HA SER A 124 1.207 12.807 6.424 1.00 0.00 H new ATOM 0 HB2 SER A 124 -0.908 13.900 5.819 1.00 0.00 H new ATOM 0 HB3 SER A 124 0.412 14.589 4.896 1.00 0.00 H new ATOM 0 HG SER A 124 -1.431 14.112 3.572 1.00 0.00 H new ATOM 623 N ASP A 125 -0.160 10.432 4.672 1.00 0.00 N ATOM 624 CA ASP A 125 -0.915 9.187 4.750 1.00 0.00 C ATOM 625 C ASP A 125 -0.388 8.168 3.746 1.00 0.00 C ATOM 626 O ASP A 125 -0.048 8.515 2.615 1.00 0.00 O ATOM 627 CB ASP A 125 -2.400 9.450 4.497 1.00 0.00 C ATOM 628 CG ASP A 125 -3.295 8.470 5.230 1.00 0.00 C ATOM 629 OD1 ASP A 125 -2.849 7.911 6.254 1.00 0.00 O ATOM 630 OD2 ASP A 125 -4.441 8.262 4.780 1.00 0.00 O ATOM 0 H ASP A 125 0.301 10.590 3.776 1.00 0.00 H new ATOM 0 HA ASP A 125 -0.792 8.778 5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -2.645 10.465 4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -2.600 9.390 3.427 1.00 0.00 H new ATOM 635 N ALA A 126 -0.321 6.909 4.167 1.00 0.00 N ATOM 636 CA ALA A 126 0.164 5.839 3.304 1.00 0.00 C ATOM 637 C ALA A 126 -0.233 4.472 3.849 1.00 0.00 C ATOM 638 O ALA A 126 0.036 4.153 5.008 1.00 0.00 O ATOM 639 CB ALA A 126 1.675 5.930 3.150 1.00 0.00 C ATOM 0 H ALA A 126 -0.597 6.605 5.101 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.298 5.958 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 126 2.024 5.125 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.938 6.891 2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 126 2.147 5.839 4.129 1.00 0.00 H new ATOM 645 N ARG A 127 -0.873 3.667 3.007 1.00 0.00 N ATOM 646 CA ARG A 127 -1.309 2.334 3.406 1.00 0.00 C ATOM 647 C ARG A 127 -1.171 1.349 2.250 1.00 0.00 C ATOM 648 O ARG A 127 -1.046 1.747 1.092 1.00 0.00 O ATOM 649 CB ARG A 127 -2.760 2.372 3.888 1.00 0.00 C ATOM 650 CG ARG A 127 -3.775 2.451 2.759 1.00 0.00 C ATOM 651 CD ARG A 127 -5.160 2.029 3.224 1.00 0.00 C ATOM 652 NE ARG A 127 -5.909 3.146 3.793 1.00 0.00 N ATOM 653 CZ ARG A 127 -6.275 4.217 3.097 1.00 0.00 C ATOM 654 NH1 ARG A 127 -5.961 4.315 1.812 1.00 0.00 N ATOM 655 NH2 ARG A 127 -6.955 5.192 3.685 1.00 0.00 N ATOM 0 H ARG A 127 -1.101 3.915 2.044 1.00 0.00 H new ATOM 0 HA ARG A 127 -0.671 1.999 4.224 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -2.960 1.481 4.483 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -2.893 3.231 4.546 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -3.814 3.470 2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -3.456 1.812 1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -5.714 1.612 2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -5.067 1.238 3.968 1.00 0.00 H new ATOM 0 HE ARG A 127 -6.165 3.102 4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -5.438 3.567 1.356 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -6.243 5.138 1.279 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -7.198 5.120 4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -7.235 6.013 3.149 1.00 0.00 H new ATOM 669 N VAL A 128 -1.193 0.059 2.572 1.00 0.00 N ATOM 670 CA VAL A 128 -1.071 -0.984 1.560 1.00 0.00 C ATOM 671 C VAL A 128 -2.287 -1.903 1.570 1.00 0.00 C ATOM 672 O VAL A 128 -2.393 -2.802 2.405 1.00 0.00 O ATOM 673 CB VAL A 128 0.199 -1.828 1.775 1.00 0.00 C ATOM 674 CG1 VAL A 128 0.222 -2.411 3.180 1.00 0.00 C ATOM 675 CG2 VAL A 128 0.289 -2.930 0.730 1.00 0.00 C ATOM 0 H VAL A 128 -1.294 -0.289 3.526 1.00 0.00 H new ATOM 0 HA VAL A 128 -1.006 -0.483 0.594 1.00 0.00 H new ATOM 0 HB VAL A 128 1.068 -1.180 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.127 -3.004 3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 128 0.208 -1.602 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -0.652 -3.045 3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.192 -3.517 0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -0.584 -3.578 0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 128 0.323 -2.486 -0.265 1.00 0.00 H new ATOM 685 N VAL A 129 -3.203 -1.673 0.635 1.00 0.00 N ATOM 686 CA VAL A 129 -4.412 -2.482 0.534 1.00 0.00 C ATOM 687 C VAL A 129 -4.075 -3.966 0.447 1.00 0.00 C ATOM 688 O VAL A 129 -3.379 -4.404 -0.470 1.00 0.00 O ATOM 689 CB VAL A 129 -5.252 -2.085 -0.695 1.00 0.00 C ATOM 690 CG1 VAL A 129 -6.592 -2.804 -0.681 1.00 0.00 C ATOM 691 CG2 VAL A 129 -5.447 -0.577 -0.742 1.00 0.00 C ATOM 0 H VAL A 129 -3.131 -0.933 -0.063 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.993 -2.297 1.438 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.714 -2.387 -1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.171 -2.511 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.427 -3.881 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -7.139 -2.536 0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -6.042 -0.314 -1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -5.963 -0.249 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -4.476 -0.086 -0.804 1.00 0.00 H new ATOM 701 N LYS A 130 -4.572 -4.738 1.407 1.00 0.00 N ATOM 702 CA LYS A 130 -4.326 -6.175 1.440 1.00 0.00 C ATOM 703 C LYS A 130 -5.624 -6.953 1.254 1.00 0.00 C ATOM 704 O LYS A 130 -6.716 -6.398 1.380 1.00 0.00 O ATOM 705 CB LYS A 130 -3.666 -6.570 2.763 1.00 0.00 C ATOM 706 CG LYS A 130 -2.156 -6.407 2.762 1.00 0.00 C ATOM 707 CD LYS A 130 -1.612 -6.250 4.172 1.00 0.00 C ATOM 708 CE LYS A 130 -0.091 -6.281 4.189 1.00 0.00 C ATOM 709 NZ LYS A 130 0.439 -7.645 3.914 1.00 0.00 N ATOM 0 H LYS A 130 -5.149 -4.392 2.174 1.00 0.00 H new ATOM 0 HA LYS A 130 -3.654 -6.423 0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -4.088 -5.964 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -3.911 -7.609 2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -1.696 -7.274 2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -1.883 -5.536 2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -1.963 -5.309 4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -2.000 -7.049 4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 130 0.295 -5.585 3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 130 0.268 -5.941 5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 1.348 -7.769 4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -0.238 -8.356 4.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 0.577 -7.764 2.890 1.00 0.00 H new ATOM 723 N ASP A 131 -5.499 -8.242 0.956 1.00 0.00 N ATOM 724 CA ASP A 131 -6.662 -9.098 0.756 1.00 0.00 C ATOM 725 C ASP A 131 -7.455 -9.249 2.050 1.00 0.00 C ATOM 726 O ASP A 131 -6.888 -9.219 3.143 1.00 0.00 O ATOM 727 CB ASP A 131 -6.229 -10.472 0.244 1.00 0.00 C ATOM 728 CG ASP A 131 -6.191 -10.541 -1.270 1.00 0.00 C ATOM 729 OD1 ASP A 131 -7.273 -10.496 -1.892 1.00 0.00 O ATOM 730 OD2 ASP A 131 -5.080 -10.642 -1.832 1.00 0.00 O ATOM 0 H ASP A 131 -4.603 -8.717 0.848 1.00 0.00 H new ATOM 0 HA ASP A 131 -7.304 -8.628 0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -5.242 -10.709 0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -6.915 -11.230 0.622 1.00 0.00 H new ATOM 735 N MET A 132 -8.767 -9.411 1.920 1.00 0.00 N ATOM 736 CA MET A 132 -9.637 -9.567 3.080 1.00 0.00 C ATOM 737 C MET A 132 -9.799 -11.039 3.443 1.00 0.00 C ATOM 738 O MET A 132 -10.446 -11.376 4.435 1.00 0.00 O ATOM 739 CB MET A 132 -11.007 -8.944 2.804 1.00 0.00 C ATOM 740 CG MET A 132 -11.403 -8.970 1.337 1.00 0.00 C ATOM 741 SD MET A 132 -13.161 -8.658 1.086 1.00 0.00 S ATOM 742 CE MET A 132 -13.761 -10.320 0.794 1.00 0.00 C ATOM 0 H MET A 132 -9.252 -9.438 1.023 1.00 0.00 H new ATOM 0 HA MET A 132 -9.175 -9.052 3.922 1.00 0.00 H new ATOM 0 HB2 MET A 132 -11.762 -9.474 3.385 1.00 0.00 H new ATOM 0 HB3 MET A 132 -11.004 -7.911 3.153 1.00 0.00 H new ATOM 0 HG2 MET A 132 -10.824 -8.222 0.795 1.00 0.00 H new ATOM 0 HG3 MET A 132 -11.146 -9.941 0.913 1.00 0.00 H new ATOM 0 HE1 MET A 132 -14.837 -10.293 0.621 1.00 0.00 H new ATOM 0 HE2 MET A 132 -13.263 -10.738 -0.081 1.00 0.00 H new ATOM 0 HE3 MET A 132 -13.549 -10.942 1.664 1.00 0.00 H new ATOM 752 N ALA A 133 -9.207 -11.913 2.635 1.00 0.00 N ATOM 753 CA ALA A 133 -9.285 -13.348 2.873 1.00 0.00 C ATOM 754 C ALA A 133 -7.926 -13.913 3.275 1.00 0.00 C ATOM 755 O ALA A 133 -7.792 -14.553 4.318 1.00 0.00 O ATOM 756 CB ALA A 133 -9.809 -14.061 1.635 1.00 0.00 C ATOM 0 H ALA A 133 -8.668 -11.651 1.810 1.00 0.00 H new ATOM 0 HA ALA A 133 -9.978 -13.517 3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -9.862 -15.133 1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -10.803 -13.686 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -9.137 -13.876 0.797 1.00 0.00 H new ATOM 762 N THR A 134 -6.920 -13.671 2.440 1.00 0.00 N ATOM 763 CA THR A 134 -5.572 -14.156 2.708 1.00 0.00 C ATOM 764 C THR A 134 -4.772 -13.141 3.515 1.00 0.00 C ATOM 765 O THR A 134 -3.854 -13.502 4.250 1.00 0.00 O ATOM 766 CB THR A 134 -4.817 -14.467 1.401 1.00 0.00 C ATOM 767 OG1 THR A 134 -4.916 -13.356 0.503 1.00 0.00 O ATOM 768 CG2 THR A 134 -5.377 -15.715 0.736 1.00 0.00 C ATOM 0 H THR A 134 -7.014 -13.142 1.573 1.00 0.00 H new ATOM 0 HA THR A 134 -5.676 -15.074 3.286 1.00 0.00 H new ATOM 0 HB THR A 134 -3.770 -14.644 1.645 1.00 0.00 H new ATOM 0 HG1 THR A 134 -4.432 -13.560 -0.325 1.00 0.00 H new ATOM 0 HG21 THR A 134 -4.828 -15.914 -0.184 1.00 0.00 H new ATOM 0 HG22 THR A 134 -5.274 -16.564 1.411 1.00 0.00 H new ATOM 0 HG23 THR A 134 -6.431 -15.562 0.504 1.00 0.00 H new ATOM 776 N GLY A 135 -5.126 -11.867 3.372 1.00 0.00 N ATOM 777 CA GLY A 135 -4.431 -10.818 4.095 1.00 0.00 C ATOM 778 C GLY A 135 -3.080 -10.493 3.488 1.00 0.00 C ATOM 779 O GLY A 135 -2.166 -10.055 4.186 1.00 0.00 O ATOM 0 H GLY A 135 -5.882 -11.543 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -5.047 -9.919 4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -4.296 -11.124 5.132 1.00 0.00 H new ATOM 783 N LYS A 136 -2.953 -10.709 2.183 1.00 0.00 N ATOM 784 CA LYS A 136 -1.704 -10.437 1.480 1.00 0.00 C ATOM 785 C LYS A 136 -1.843 -9.213 0.580 1.00 0.00 C ATOM 786 O LYS A 136 -2.862 -9.034 -0.087 1.00 0.00 O ATOM 787 CB LYS A 136 -1.288 -11.652 0.648 1.00 0.00 C ATOM 788 CG LYS A 136 -1.971 -11.723 -0.707 1.00 0.00 C ATOM 789 CD LYS A 136 -1.385 -12.829 -1.569 1.00 0.00 C ATOM 790 CE LYS A 136 -2.361 -13.269 -2.649 1.00 0.00 C ATOM 791 NZ LYS A 136 -1.695 -14.097 -3.694 1.00 0.00 N ATOM 0 H LYS A 136 -3.700 -11.072 1.590 1.00 0.00 H new ATOM 0 HA LYS A 136 -0.933 -10.234 2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -0.208 -11.629 0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -1.514 -12.560 1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -3.038 -11.895 -0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -1.866 -10.767 -1.219 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -0.461 -12.481 -2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -1.126 -13.682 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -3.172 -13.839 -2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -2.810 -12.391 -3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -2.393 -14.377 -4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -0.938 -13.544 -4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -1.289 -14.948 -3.256 1.00 0.00 H new ATOM 805 N SER A 137 -0.810 -8.376 0.564 1.00 0.00 N ATOM 806 CA SER A 137 -0.818 -7.168 -0.253 1.00 0.00 C ATOM 807 C SER A 137 -1.411 -7.449 -1.631 1.00 0.00 C ATOM 808 O SER A 137 -0.797 -8.123 -2.458 1.00 0.00 O ATOM 809 CB SER A 137 0.601 -6.616 -0.398 1.00 0.00 C ATOM 810 OG SER A 137 0.589 -5.327 -0.986 1.00 0.00 O ATOM 0 H SER A 137 0.042 -8.512 1.107 1.00 0.00 H new ATOM 0 HA SER A 137 -1.440 -6.425 0.246 1.00 0.00 H new ATOM 0 HB2 SER A 137 1.078 -6.568 0.581 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.197 -7.293 -1.010 1.00 0.00 H new ATOM 0 HG SER A 137 1.508 -4.995 -1.066 1.00 0.00 H new ATOM 816 N LYS A 138 -2.608 -6.926 -1.870 1.00 0.00 N ATOM 817 CA LYS A 138 -3.286 -7.117 -3.147 1.00 0.00 C ATOM 818 C LYS A 138 -2.368 -6.753 -4.310 1.00 0.00 C ATOM 819 O LYS A 138 -2.433 -7.360 -5.378 1.00 0.00 O ATOM 820 CB LYS A 138 -4.560 -6.271 -3.204 1.00 0.00 C ATOM 821 CG LYS A 138 -5.668 -6.778 -2.298 1.00 0.00 C ATOM 822 CD LYS A 138 -7.031 -6.281 -2.752 1.00 0.00 C ATOM 823 CE LYS A 138 -8.137 -6.767 -1.828 1.00 0.00 C ATOM 824 NZ LYS A 138 -9.392 -5.985 -2.007 1.00 0.00 N ATOM 0 H LYS A 138 -3.130 -6.366 -1.196 1.00 0.00 H new ATOM 0 HA LYS A 138 -3.553 -8.170 -3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -4.317 -5.245 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -4.924 -6.247 -4.231 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -5.662 -7.868 -2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -5.482 -6.450 -1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -7.031 -5.191 -2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -7.226 -6.626 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -8.335 -7.821 -2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -7.805 -6.690 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -10.122 -6.346 -1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -9.209 -4.983 -1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -9.723 -6.079 -2.989 1.00 0.00 H new ATOM 838 N GLY A 139 -1.513 -5.758 -4.093 1.00 0.00 N ATOM 839 CA GLY A 139 -0.593 -5.332 -5.132 1.00 0.00 C ATOM 840 C GLY A 139 -0.767 -3.870 -5.495 1.00 0.00 C ATOM 841 O GLY A 139 -0.360 -3.439 -6.575 1.00 0.00 O ATOM 0 H GLY A 139 -1.441 -5.240 -3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 139 0.431 -5.501 -4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -0.744 -5.945 -6.021 1.00 0.00 H new ATOM 845 N TYR A 140 -1.373 -3.106 -4.594 1.00 0.00 N ATOM 846 CA TYR A 140 -1.603 -1.686 -4.827 1.00 0.00 C ATOM 847 C TYR A 140 -1.871 -0.955 -3.515 1.00 0.00 C ATOM 848 O TYR A 140 -2.550 -1.473 -2.629 1.00 0.00 O ATOM 849 CB TYR A 140 -2.781 -1.488 -5.783 1.00 0.00 C ATOM 850 CG TYR A 140 -4.107 -1.937 -5.211 1.00 0.00 C ATOM 851 CD1 TYR A 140 -4.513 -3.263 -5.305 1.00 0.00 C ATOM 852 CD2 TYR A 140 -4.954 -1.036 -4.577 1.00 0.00 C ATOM 853 CE1 TYR A 140 -5.724 -3.677 -4.785 1.00 0.00 C ATOM 854 CE2 TYR A 140 -6.165 -1.442 -4.052 1.00 0.00 C ATOM 855 CZ TYR A 140 -6.546 -2.764 -4.159 1.00 0.00 C ATOM 856 OH TYR A 140 -7.753 -3.172 -3.639 1.00 0.00 O ATOM 0 H TYR A 140 -1.714 -3.446 -3.695 1.00 0.00 H new ATOM 0 HA TYR A 140 -0.703 -1.268 -5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.848 -0.433 -6.050 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -2.587 -2.038 -6.704 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -3.871 -3.982 -5.793 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -4.660 -0.000 -4.493 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -6.025 -4.711 -4.868 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -6.810 -0.729 -3.560 1.00 0.00 H new ATOM 0 HH TYR A 140 -8.098 -3.923 -4.165 1.00 0.00 H new ATOM 866 N GLY A 141 -1.332 0.255 -3.398 1.00 0.00 N ATOM 867 CA GLY A 141 -1.523 1.039 -2.192 1.00 0.00 C ATOM 868 C GLY A 141 -1.833 2.493 -2.488 1.00 0.00 C ATOM 869 O GLY A 141 -2.104 2.856 -3.633 1.00 0.00 O ATOM 0 H GLY A 141 -0.766 0.706 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -2.337 0.609 -1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -0.624 0.980 -1.578 1.00 0.00 H new ATOM 873 N PHE A 142 -1.794 3.327 -1.455 1.00 0.00 N ATOM 874 CA PHE A 142 -2.076 4.750 -1.610 1.00 0.00 C ATOM 875 C PHE A 142 -1.102 5.590 -0.788 1.00 0.00 C ATOM 876 O PHE A 142 -0.703 5.201 0.310 1.00 0.00 O ATOM 877 CB PHE A 142 -3.514 5.056 -1.186 1.00 0.00 C ATOM 878 CG PHE A 142 -4.547 4.470 -2.106 1.00 0.00 C ATOM 879 CD1 PHE A 142 -5.007 3.177 -1.918 1.00 0.00 C ATOM 880 CD2 PHE A 142 -5.058 5.213 -3.158 1.00 0.00 C ATOM 881 CE1 PHE A 142 -5.958 2.635 -2.762 1.00 0.00 C ATOM 882 CE2 PHE A 142 -6.009 4.677 -4.005 1.00 0.00 C ATOM 883 CZ PHE A 142 -6.459 3.386 -3.808 1.00 0.00 C ATOM 0 H PHE A 142 -1.570 3.043 -0.501 1.00 0.00 H new ATOM 0 HA PHE A 142 -1.952 5.007 -2.662 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -3.677 4.673 -0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -3.649 6.137 -1.142 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -4.618 2.585 -1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -4.709 6.223 -3.318 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -6.309 1.626 -2.604 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -6.400 5.267 -4.821 1.00 0.00 H new ATOM 0 HZ PHE A 142 -7.201 2.965 -4.470 1.00 0.00 H new ATOM 893 N VAL A 143 -0.723 6.743 -1.329 1.00 0.00 N ATOM 894 CA VAL A 143 0.203 7.639 -0.647 1.00 0.00 C ATOM 895 C VAL A 143 -0.155 9.099 -0.902 1.00 0.00 C ATOM 896 O VAL A 143 -0.255 9.532 -2.050 1.00 0.00 O ATOM 897 CB VAL A 143 1.656 7.393 -1.096 1.00 0.00 C ATOM 898 CG1 VAL A 143 2.569 8.495 -0.581 1.00 0.00 C ATOM 899 CG2 VAL A 143 2.135 6.028 -0.624 1.00 0.00 C ATOM 0 H VAL A 143 -1.043 7.079 -2.238 1.00 0.00 H new ATOM 0 HA VAL A 143 0.119 7.428 0.419 1.00 0.00 H new ATOM 0 HB VAL A 143 1.689 7.408 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 143 3.591 8.304 -0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 143 2.236 9.456 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 143 2.535 8.516 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 143 3.163 5.871 -0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 143 2.088 5.982 0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 143 1.497 5.252 -1.048 1.00 0.00 H new ATOM 909 N SER A 144 -0.347 9.853 0.176 1.00 0.00 N ATOM 910 CA SER A 144 -0.698 11.264 0.068 1.00 0.00 C ATOM 911 C SER A 144 0.525 12.147 0.300 1.00 0.00 C ATOM 912 O SER A 144 1.360 11.858 1.157 1.00 0.00 O ATOM 913 CB SER A 144 -1.794 11.617 1.076 1.00 0.00 C ATOM 914 OG SER A 144 -2.925 10.779 0.914 1.00 0.00 O ATOM 0 H SER A 144 -0.265 9.510 1.133 1.00 0.00 H new ATOM 0 HA SER A 144 -1.070 11.445 -0.941 1.00 0.00 H new ATOM 0 HB2 SER A 144 -1.406 11.517 2.090 1.00 0.00 H new ATOM 0 HB3 SER A 144 -2.088 12.659 0.948 1.00 0.00 H new ATOM 0 HG SER A 144 -3.533 11.174 0.254 1.00 0.00 H new ATOM 920 N PHE A 145 0.623 13.225 -0.472 1.00 0.00 N ATOM 921 CA PHE A 145 1.743 14.150 -0.353 1.00 0.00 C ATOM 922 C PHE A 145 1.249 15.575 -0.117 1.00 0.00 C ATOM 923 O PHE A 145 0.333 16.045 -0.791 1.00 0.00 O ATOM 924 CB PHE A 145 2.609 14.101 -1.613 1.00 0.00 C ATOM 925 CG PHE A 145 3.580 12.955 -1.629 1.00 0.00 C ATOM 926 CD1 PHE A 145 4.603 12.884 -0.698 1.00 0.00 C ATOM 927 CD2 PHE A 145 3.469 11.949 -2.576 1.00 0.00 C ATOM 928 CE1 PHE A 145 5.498 11.830 -0.710 1.00 0.00 C ATOM 929 CE2 PHE A 145 4.360 10.893 -2.592 1.00 0.00 C ATOM 930 CZ PHE A 145 5.377 10.834 -1.659 1.00 0.00 C ATOM 0 H PHE A 145 -0.060 13.479 -1.186 1.00 0.00 H new ATOM 0 HA PHE A 145 2.343 13.845 0.504 1.00 0.00 H new ATOM 0 HB2 PHE A 145 1.961 14.030 -2.487 1.00 0.00 H new ATOM 0 HB3 PHE A 145 3.162 15.036 -1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 145 4.703 13.661 0.046 1.00 0.00 H new ATOM 0 HD2 PHE A 145 2.677 11.991 -3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 145 6.291 11.786 0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 145 4.261 10.114 -3.334 1.00 0.00 H new ATOM 0 HZ PHE A 145 6.076 10.011 -1.672 1.00 0.00 H new ATOM 940 N TYR A 146 1.862 16.255 0.845 1.00 0.00 N ATOM 941 CA TYR A 146 1.484 17.625 1.173 1.00 0.00 C ATOM 942 C TYR A 146 1.505 18.508 -0.070 1.00 0.00 C ATOM 943 O TYR A 146 0.555 19.241 -0.341 1.00 0.00 O ATOM 944 CB TYR A 146 2.425 18.196 2.235 1.00 0.00 C ATOM 945 CG TYR A 146 1.946 17.973 3.652 1.00 0.00 C ATOM 946 CD1 TYR A 146 2.237 16.793 4.326 1.00 0.00 C ATOM 947 CD2 TYR A 146 1.202 18.940 4.315 1.00 0.00 C ATOM 948 CE1 TYR A 146 1.801 16.584 5.621 1.00 0.00 C ATOM 949 CE2 TYR A 146 0.764 18.741 5.610 1.00 0.00 C ATOM 950 CZ TYR A 146 1.065 17.561 6.258 1.00 0.00 C ATOM 951 OH TYR A 146 0.629 17.358 7.547 1.00 0.00 O ATOM 0 H TYR A 146 2.623 15.880 1.412 1.00 0.00 H new ATOM 0 HA TYR A 146 0.468 17.610 1.568 1.00 0.00 H new ATOM 0 HB2 TYR A 146 3.409 17.743 2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 146 2.544 19.266 2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 146 2.813 16.026 3.830 1.00 0.00 H new ATOM 0 HD2 TYR A 146 0.962 19.864 3.810 1.00 0.00 H new ATOM 0 HE1 TYR A 146 2.035 15.661 6.131 1.00 0.00 H new ATOM 0 HE2 TYR A 146 0.189 19.505 6.112 1.00 0.00 H new ATOM 0 HH TYR A 146 0.126 18.143 7.850 1.00 0.00 H new ATOM 961 N ASN A 147 2.598 18.432 -0.823 1.00 0.00 N ATOM 962 CA ASN A 147 2.745 19.225 -2.039 1.00 0.00 C ATOM 963 C ASN A 147 2.763 18.329 -3.273 1.00 0.00 C ATOM 964 O ASN A 147 2.897 17.109 -3.168 1.00 0.00 O ATOM 965 CB ASN A 147 4.029 20.055 -1.979 1.00 0.00 C ATOM 966 CG ASN A 147 3.821 21.392 -1.294 1.00 0.00 C ATOM 967 OD1 ASN A 147 3.126 21.483 -0.282 1.00 0.00 O ATOM 968 ND2 ASN A 147 4.423 22.439 -1.846 1.00 0.00 N ATOM 0 H ASN A 147 3.394 17.830 -0.613 1.00 0.00 H new ATOM 0 HA ASN A 147 1.889 19.896 -2.111 1.00 0.00 H new ATOM 0 HB2 ASN A 147 4.797 19.493 -1.448 1.00 0.00 H new ATOM 0 HB3 ASN A 147 4.398 20.222 -2.991 1.00 0.00 H new ATOM 0 HD21 ASN A 147 4.318 23.365 -1.431 1.00 0.00 H new ATOM 0 HD22 ASN A 147 4.990 22.317 -2.685 1.00 0.00 H new ATOM 975 N LYS A 148 2.628 18.942 -4.445 1.00 0.00 N ATOM 976 CA LYS A 148 2.630 18.202 -5.701 1.00 0.00 C ATOM 977 C LYS A 148 4.041 17.747 -6.062 1.00 0.00 C ATOM 978 O LYS A 148 4.246 16.615 -6.503 1.00 0.00 O ATOM 979 CB LYS A 148 2.058 19.066 -6.827 1.00 0.00 C ATOM 980 CG LYS A 148 1.754 18.288 -8.096 1.00 0.00 C ATOM 981 CD LYS A 148 1.315 19.209 -9.222 1.00 0.00 C ATOM 982 CE LYS A 148 0.865 18.421 -10.442 1.00 0.00 C ATOM 983 NZ LYS A 148 -0.590 18.106 -10.394 1.00 0.00 N ATOM 0 H LYS A 148 2.516 19.950 -4.550 1.00 0.00 H new ATOM 0 HA LYS A 148 2.003 17.319 -5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 148 1.144 19.546 -6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 148 2.766 19.861 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 148 2.639 17.732 -8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 148 0.971 17.556 -7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 148 0.500 19.845 -8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 148 2.139 19.868 -9.497 1.00 0.00 H new ATOM 0 HE2 LYS A 148 1.083 18.993 -11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 148 1.435 17.494 -10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -0.778 17.248 -10.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -0.879 17.949 -9.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -1.131 18.901 -10.791 1.00 0.00 H new ATOM 997 N LEU A 149 5.011 18.634 -5.870 1.00 0.00 N ATOM 998 CA LEU A 149 6.403 18.323 -6.174 1.00 0.00 C ATOM 999 C LEU A 149 6.793 16.961 -5.610 1.00 0.00 C ATOM 1000 O LEU A 149 7.316 16.107 -6.327 1.00 0.00 O ATOM 1001 CB LEU A 149 7.324 19.405 -5.607 1.00 0.00 C ATOM 1002 CG LEU A 149 8.769 19.386 -6.105 1.00 0.00 C ATOM 1003 CD1 LEU A 149 8.845 19.883 -7.540 1.00 0.00 C ATOM 1004 CD2 LEU A 149 9.657 20.228 -5.199 1.00 0.00 C ATOM 0 H LEU A 149 4.859 19.574 -5.505 1.00 0.00 H new ATOM 0 HA LEU A 149 6.513 18.292 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.893 20.379 -5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 149 7.334 19.313 -4.521 1.00 0.00 H new ATOM 0 HG LEU A 149 9.129 18.357 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 149 9.881 19.863 -7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 149 8.242 19.239 -8.180 1.00 0.00 H new ATOM 0 HD13 LEU A 149 8.467 20.904 -7.592 1.00 0.00 H new ATOM 0 HD21 LEU A 149 10.682 20.203 -5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 149 9.299 21.257 -5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 149 9.627 19.827 -4.186 1.00 0.00 H new ATOM 1016 N ASP A 150 6.533 16.763 -4.322 1.00 0.00 N ATOM 1017 CA ASP A 150 6.853 15.503 -3.662 1.00 0.00 C ATOM 1018 C ASP A 150 6.226 14.327 -4.404 1.00 0.00 C ATOM 1019 O ASP A 150 6.867 13.297 -4.608 1.00 0.00 O ATOM 1020 CB ASP A 150 6.367 15.525 -2.212 1.00 0.00 C ATOM 1021 CG ASP A 150 7.124 16.528 -1.363 1.00 0.00 C ATOM 1022 OD1 ASP A 150 8.282 16.843 -1.707 1.00 0.00 O ATOM 1023 OD2 ASP A 150 6.557 16.998 -0.355 1.00 0.00 O ATOM 0 H ASP A 150 6.101 17.459 -3.714 1.00 0.00 H new ATOM 0 HA ASP A 150 7.936 15.380 -3.672 1.00 0.00 H new ATOM 0 HB2 ASP A 150 5.304 15.765 -2.192 1.00 0.00 H new ATOM 0 HB3 ASP A 150 6.477 14.531 -1.780 1.00 0.00 H new ATOM 1028 N ALA A 151 4.969 14.487 -4.803 1.00 0.00 N ATOM 1029 CA ALA A 151 4.256 13.439 -5.522 1.00 0.00 C ATOM 1030 C ALA A 151 4.869 13.204 -6.899 1.00 0.00 C ATOM 1031 O ALA A 151 5.342 12.108 -7.197 1.00 0.00 O ATOM 1032 CB ALA A 151 2.783 13.797 -5.653 1.00 0.00 C ATOM 0 H ALA A 151 4.423 15.333 -4.640 1.00 0.00 H new ATOM 0 HA ALA A 151 4.345 12.515 -4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 151 2.263 13.005 -6.192 1.00 0.00 H new ATOM 0 HB2 ALA A 151 2.346 13.908 -4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 151 2.684 14.734 -6.200 1.00 0.00 H new ATOM 1038 N GLU A 152 4.855 14.239 -7.733 1.00 0.00 N ATOM 1039 CA GLU A 152 5.408 14.142 -9.078 1.00 0.00 C ATOM 1040 C GLU A 152 6.715 13.354 -9.074 1.00 0.00 C ATOM 1041 O GLU A 152 6.939 12.499 -9.929 1.00 0.00 O ATOM 1042 CB GLU A 152 5.644 15.539 -9.658 1.00 0.00 C ATOM 1043 CG GLU A 152 4.450 16.091 -10.418 1.00 0.00 C ATOM 1044 CD GLU A 152 4.694 17.491 -10.949 1.00 0.00 C ATOM 1045 OE1 GLU A 152 5.166 18.346 -10.170 1.00 0.00 O ATOM 1046 OE2 GLU A 152 4.412 17.732 -12.141 1.00 0.00 O ATOM 0 H GLU A 152 4.467 15.153 -7.501 1.00 0.00 H new ATOM 0 HA GLU A 152 4.687 13.614 -9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 152 5.896 16.222 -8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 152 6.505 15.506 -10.325 1.00 0.00 H new ATOM 0 HG2 GLU A 152 4.214 15.427 -11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 152 3.580 16.102 -9.762 1.00 0.00 H new ATOM 1053 N ASN A 153 7.575 13.650 -8.104 1.00 0.00 N ATOM 1054 CA ASN A 153 8.860 12.971 -7.988 1.00 0.00 C ATOM 1055 C ASN A 153 8.671 11.459 -7.916 1.00 0.00 C ATOM 1056 O ASN A 153 9.182 10.718 -8.755 1.00 0.00 O ATOM 1057 CB ASN A 153 9.610 13.462 -6.749 1.00 0.00 C ATOM 1058 CG ASN A 153 10.405 14.726 -7.017 1.00 0.00 C ATOM 1059 OD1 ASN A 153 10.890 14.943 -8.127 1.00 0.00 O ATOM 1060 ND2 ASN A 153 10.541 15.566 -5.998 1.00 0.00 N ATOM 0 H ASN A 153 7.405 14.356 -7.387 1.00 0.00 H new ATOM 0 HA ASN A 153 9.448 13.204 -8.876 1.00 0.00 H new ATOM 0 HB2 ASN A 153 8.897 13.648 -5.946 1.00 0.00 H new ATOM 0 HB3 ASN A 153 10.284 12.679 -6.402 1.00 0.00 H new ATOM 0 HD21 ASN A 153 11.065 16.433 -6.118 1.00 0.00 H new ATOM 0 HD22 ASN A 153 10.121 15.345 -5.095 1.00 0.00 H new ATOM 1067 N ALA A 154 7.933 11.008 -6.907 1.00 0.00 N ATOM 1068 CA ALA A 154 7.674 9.585 -6.727 1.00 0.00 C ATOM 1069 C ALA A 154 6.993 8.990 -7.955 1.00 0.00 C ATOM 1070 O ALA A 154 7.469 8.008 -8.525 1.00 0.00 O ATOM 1071 CB ALA A 154 6.822 9.356 -5.486 1.00 0.00 C ATOM 0 H ALA A 154 7.504 11.607 -6.202 1.00 0.00 H new ATOM 0 HA ALA A 154 8.632 9.081 -6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 154 6.636 8.289 -5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 154 7.347 9.736 -4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 154 5.872 9.879 -5.595 1.00 0.00 H new ATOM 1077 N ILE A 155 5.878 9.591 -8.356 1.00 0.00 N ATOM 1078 CA ILE A 155 5.133 9.120 -9.517 1.00 0.00 C ATOM 1079 C ILE A 155 6.068 8.802 -10.679 1.00 0.00 C ATOM 1080 O ILE A 155 5.832 7.865 -11.441 1.00 0.00 O ATOM 1081 CB ILE A 155 4.094 10.159 -9.979 1.00 0.00 C ATOM 1082 CG1 ILE A 155 3.005 10.330 -8.918 1.00 0.00 C ATOM 1083 CG2 ILE A 155 3.485 9.744 -11.309 1.00 0.00 C ATOM 1084 CD1 ILE A 155 2.157 11.566 -9.116 1.00 0.00 C ATOM 0 H ILE A 155 5.471 10.404 -7.895 1.00 0.00 H new ATOM 0 HA ILE A 155 4.615 8.211 -9.211 1.00 0.00 H new ATOM 0 HB ILE A 155 4.596 11.117 -10.115 1.00 0.00 H new ATOM 0 HG12 ILE A 155 2.360 9.452 -8.926 1.00 0.00 H new ATOM 0 HG13 ILE A 155 3.472 10.373 -7.934 1.00 0.00 H new ATOM 0 HG21 ILE A 155 2.753 10.488 -11.622 1.00 0.00 H new ATOM 0 HG22 ILE A 155 4.270 9.669 -12.061 1.00 0.00 H new ATOM 0 HG23 ILE A 155 2.995 8.777 -11.199 1.00 0.00 H new ATOM 0 HD11 ILE A 155 1.406 11.622 -8.328 1.00 0.00 H new ATOM 0 HD12 ILE A 155 2.791 12.452 -9.078 1.00 0.00 H new ATOM 0 HD13 ILE A 155 1.662 11.516 -10.086 1.00 0.00 H new ATOM 1096 N VAL A 156 7.132 9.588 -10.807 1.00 0.00 N ATOM 1097 CA VAL A 156 8.106 9.389 -11.874 1.00 0.00 C ATOM 1098 C VAL A 156 9.131 8.328 -11.491 1.00 0.00 C ATOM 1099 O VAL A 156 9.251 7.297 -12.154 1.00 0.00 O ATOM 1100 CB VAL A 156 8.842 10.699 -12.214 1.00 0.00 C ATOM 1101 CG1 VAL A 156 9.998 10.431 -13.165 1.00 0.00 C ATOM 1102 CG2 VAL A 156 7.876 11.713 -12.807 1.00 0.00 C ATOM 0 H VAL A 156 7.342 10.369 -10.185 1.00 0.00 H new ATOM 0 HA VAL A 156 7.551 9.055 -12.751 1.00 0.00 H new ATOM 0 HB VAL A 156 9.251 11.116 -11.293 1.00 0.00 H new ATOM 0 HG11 VAL A 156 10.506 11.368 -13.394 1.00 0.00 H new ATOM 0 HG12 VAL A 156 10.701 9.742 -12.698 1.00 0.00 H new ATOM 0 HG13 VAL A 156 9.617 9.991 -14.086 1.00 0.00 H new ATOM 0 HG21 VAL A 156 8.412 12.633 -13.041 1.00 0.00 H new ATOM 0 HG22 VAL A 156 7.436 11.307 -13.718 1.00 0.00 H new ATOM 0 HG23 VAL A 156 7.086 11.927 -12.087 1.00 0.00 H new ATOM 1112 N HIS A 157 9.870 8.586 -10.416 1.00 0.00 N ATOM 1113 CA HIS A 157 10.886 7.652 -9.944 1.00 0.00 C ATOM 1114 C HIS A 157 10.276 6.281 -9.669 1.00 0.00 C ATOM 1115 O HIS A 157 10.580 5.307 -10.358 1.00 0.00 O ATOM 1116 CB HIS A 157 11.553 8.190 -8.677 1.00 0.00 C ATOM 1117 CG HIS A 157 12.682 9.135 -8.951 1.00 0.00 C ATOM 1118 ND1 HIS A 157 13.997 8.730 -9.043 1.00 0.00 N ATOM 1119 CD2 HIS A 157 12.687 10.473 -9.153 1.00 0.00 C ATOM 1120 CE1 HIS A 157 14.762 9.778 -9.289 1.00 0.00 C ATOM 1121 NE2 HIS A 157 13.992 10.849 -9.361 1.00 0.00 N ATOM 0 H HIS A 157 9.784 9.434 -9.856 1.00 0.00 H new ATOM 0 HA HIS A 157 11.639 7.546 -10.725 1.00 0.00 H new ATOM 0 HB2 HIS A 157 10.804 8.698 -8.069 1.00 0.00 H new ATOM 0 HB3 HIS A 157 11.926 7.352 -8.088 1.00 0.00 H new ATOM 0 HD2 HIS A 157 11.825 11.124 -9.151 1.00 0.00 H new ATOM 0 HE1 HIS A 157 15.835 9.762 -9.411 1.00 0.00 H new ATOM 0 HE2 HIS A 157 14.314 11.800 -9.542 1.00 0.00 H new ATOM 1130 N MET A 158 9.417 6.212 -8.658 1.00 0.00 N ATOM 1131 CA MET A 158 8.765 4.960 -8.293 1.00 0.00 C ATOM 1132 C MET A 158 8.284 4.215 -9.535 1.00 0.00 C ATOM 1133 O MET A 158 8.509 3.013 -9.675 1.00 0.00 O ATOM 1134 CB MET A 158 7.585 5.228 -7.356 1.00 0.00 C ATOM 1135 CG MET A 158 8.003 5.680 -5.967 1.00 0.00 C ATOM 1136 SD MET A 158 8.394 4.298 -4.875 1.00 0.00 S ATOM 1137 CE MET A 158 10.184 4.338 -4.905 1.00 0.00 C ATOM 0 H MET A 158 9.156 7.008 -8.077 1.00 0.00 H new ATOM 0 HA MET A 158 9.495 4.337 -7.777 1.00 0.00 H new ATOM 0 HB2 MET A 158 6.945 5.990 -7.800 1.00 0.00 H new ATOM 0 HB3 MET A 158 6.987 4.321 -7.269 1.00 0.00 H new ATOM 0 HG2 MET A 158 8.873 6.332 -6.048 1.00 0.00 H new ATOM 0 HG3 MET A 158 7.201 6.272 -5.525 1.00 0.00 H new ATOM 0 HE1 MET A 158 10.571 3.320 -4.870 1.00 0.00 H new ATOM 0 HE2 MET A 158 10.522 4.824 -5.821 1.00 0.00 H new ATOM 0 HE3 MET A 158 10.550 4.895 -4.043 1.00 0.00 H new ATOM 1147 N GLY A 159 7.622 4.937 -10.433 1.00 0.00 N ATOM 1148 CA GLY A 159 7.120 4.327 -11.651 1.00 0.00 C ATOM 1149 C GLY A 159 8.074 3.294 -12.217 1.00 0.00 C ATOM 1150 O GLY A 159 9.003 3.632 -12.949 1.00 0.00 O ATOM 0 H GLY A 159 7.424 5.933 -10.339 1.00 0.00 H new ATOM 0 HA2 GLY A 159 6.158 3.856 -11.448 1.00 0.00 H new ATOM 0 HA3 GLY A 159 6.945 5.102 -12.397 1.00 0.00 H new ATOM 1154 N GLY A 160 7.844 2.029 -11.877 1.00 0.00 N ATOM 1155 CA GLY A 160 8.699 0.963 -12.364 1.00 0.00 C ATOM 1156 C GLY A 160 9.829 0.642 -11.406 1.00 0.00 C ATOM 1157 O GLY A 160 10.283 -0.499 -11.332 1.00 0.00 O ATOM 0 H GLY A 160 7.081 1.724 -11.273 1.00 0.00 H new ATOM 0 HA2 GLY A 160 8.100 0.067 -12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 160 9.116 1.248 -13.330 1.00 0.00 H new ATOM 1161 N GLN A 161 10.284 1.652 -10.672 1.00 0.00 N ATOM 1162 CA GLN A 161 11.370 1.472 -9.715 1.00 0.00 C ATOM 1163 C GLN A 161 11.261 0.121 -9.016 1.00 0.00 C ATOM 1164 O GLN A 161 10.176 -0.455 -8.923 1.00 0.00 O ATOM 1165 CB GLN A 161 11.358 2.597 -8.680 1.00 0.00 C ATOM 1166 CG GLN A 161 12.620 2.659 -7.834 1.00 0.00 C ATOM 1167 CD GLN A 161 13.784 3.295 -8.567 1.00 0.00 C ATOM 1168 OE1 GLN A 161 14.074 4.478 -8.389 1.00 0.00 O ATOM 1169 NE2 GLN A 161 14.459 2.510 -9.399 1.00 0.00 N ATOM 0 H GLN A 161 9.918 2.603 -10.721 1.00 0.00 H new ATOM 0 HA GLN A 161 12.312 1.502 -10.263 1.00 0.00 H new ATOM 0 HB2 GLN A 161 11.227 3.550 -9.193 1.00 0.00 H new ATOM 0 HB3 GLN A 161 10.497 2.467 -8.024 1.00 0.00 H new ATOM 0 HG2 GLN A 161 12.416 3.224 -6.925 1.00 0.00 H new ATOM 0 HG3 GLN A 161 12.897 1.650 -7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 161 14.184 1.535 -9.516 1.00 0.00 H new ATOM 0 HE22 GLN A 161 15.252 2.882 -9.921 1.00 0.00 H new ATOM 1178 N TRP A 162 12.389 -0.380 -8.527 1.00 0.00 N ATOM 1179 CA TRP A 162 12.420 -1.664 -7.836 1.00 0.00 C ATOM 1180 C TRP A 162 12.464 -1.468 -6.325 1.00 0.00 C ATOM 1181 O TRP A 162 13.539 -1.349 -5.736 1.00 0.00 O ATOM 1182 CB TRP A 162 13.628 -2.483 -8.293 1.00 0.00 C ATOM 1183 CG TRP A 162 13.521 -2.962 -9.709 1.00 0.00 C ATOM 1184 CD1 TRP A 162 13.904 -2.288 -10.833 1.00 0.00 C ATOM 1185 CD2 TRP A 162 12.993 -4.217 -10.152 1.00 0.00 C ATOM 1186 NE1 TRP A 162 13.646 -3.048 -11.948 1.00 0.00 N ATOM 1187 CE2 TRP A 162 13.088 -4.236 -11.557 1.00 0.00 C ATOM 1188 CE3 TRP A 162 12.451 -5.327 -9.498 1.00 0.00 C ATOM 1189 CZ2 TRP A 162 12.660 -5.322 -12.317 1.00 0.00 C ATOM 1190 CZ3 TRP A 162 12.026 -6.403 -10.254 1.00 0.00 C ATOM 1191 CH2 TRP A 162 12.134 -6.395 -11.651 1.00 0.00 C ATOM 0 H TRP A 162 13.295 0.083 -8.596 1.00 0.00 H new ATOM 0 HA TRP A 162 11.508 -2.206 -8.086 1.00 0.00 H new ATOM 0 HB2 TRP A 162 14.528 -1.878 -8.189 1.00 0.00 H new ATOM 0 HB3 TRP A 162 13.745 -3.343 -7.634 1.00 0.00 H new ATOM 0 HD1 TRP A 162 14.345 -1.302 -10.844 1.00 0.00 H new ATOM 0 HE1 TRP A 162 13.839 -2.772 -12.911 1.00 0.00 H new ATOM 0 HE3 TRP A 162 12.366 -5.344 -8.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 12.741 -5.317 -13.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 11.603 -7.265 -9.759 1.00 0.00 H new ATOM 0 HH2 TRP A 162 11.795 -7.253 -12.213 1.00 0.00 H new ATOM 1202 N LEU A 163 11.291 -1.437 -5.702 1.00 0.00 N ATOM 1203 CA LEU A 163 11.197 -1.256 -4.257 1.00 0.00 C ATOM 1204 C LEU A 163 11.315 -2.593 -3.532 1.00 0.00 C ATOM 1205 O LEU A 163 12.319 -2.868 -2.877 1.00 0.00 O ATOM 1206 CB LEU A 163 9.873 -0.581 -3.894 1.00 0.00 C ATOM 1207 CG LEU A 163 9.766 -0.039 -2.468 1.00 0.00 C ATOM 1208 CD1 LEU A 163 8.424 0.646 -2.257 1.00 0.00 C ATOM 1209 CD2 LEU A 163 9.961 -1.158 -1.456 1.00 0.00 C ATOM 0 H LEU A 163 10.392 -1.535 -6.174 1.00 0.00 H new ATOM 0 HA LEU A 163 12.022 -0.618 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 163 9.706 0.243 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 163 9.067 -1.298 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 163 10.555 0.699 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 163 8.366 1.025 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 163 8.324 1.474 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 163 7.620 -0.070 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 163 9.882 -0.754 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 163 9.195 -1.919 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 163 10.946 -1.604 -1.592 1.00 0.00 H new ATOM 1221 N GLY A 164 10.282 -3.421 -3.656 1.00 0.00 N ATOM 1222 CA GLY A 164 10.292 -4.720 -3.009 1.00 0.00 C ATOM 1223 C GLY A 164 10.152 -5.861 -3.997 1.00 0.00 C ATOM 1224 O GLY A 164 9.144 -5.968 -4.694 1.00 0.00 O ATOM 0 H GLY A 164 9.439 -3.216 -4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 164 11.221 -4.838 -2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 164 9.478 -4.768 -2.285 1.00 0.00 H new ATOM 1228 N GLY A 165 11.168 -6.716 -4.060 1.00 0.00 N ATOM 1229 CA GLY A 165 11.136 -7.842 -4.975 1.00 0.00 C ATOM 1230 C GLY A 165 10.836 -7.423 -6.400 1.00 0.00 C ATOM 1231 O GLY A 165 11.746 -7.093 -7.161 1.00 0.00 O ATOM 0 H GLY A 165 12.013 -6.649 -3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 165 12.096 -8.357 -4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 165 10.381 -8.555 -4.643 1.00 0.00 H new ATOM 1235 N ARG A 166 9.558 -7.436 -6.763 1.00 0.00 N ATOM 1236 CA ARG A 166 9.142 -7.057 -8.108 1.00 0.00 C ATOM 1237 C ARG A 166 9.085 -5.539 -8.252 1.00 0.00 C ATOM 1238 O ARG A 166 9.284 -4.807 -7.283 1.00 0.00 O ATOM 1239 CB ARG A 166 7.774 -7.661 -8.431 1.00 0.00 C ATOM 1240 CG ARG A 166 7.803 -9.170 -8.614 1.00 0.00 C ATOM 1241 CD ARG A 166 7.568 -9.895 -7.298 1.00 0.00 C ATOM 1242 NE ARG A 166 7.954 -11.302 -7.372 1.00 0.00 N ATOM 1243 CZ ARG A 166 7.633 -12.202 -6.450 1.00 0.00 C ATOM 1244 NH1 ARG A 166 6.923 -11.844 -5.388 1.00 0.00 N ATOM 1245 NH2 ARG A 166 8.021 -13.463 -6.588 1.00 0.00 N ATOM 0 H ARG A 166 8.793 -7.705 -6.145 1.00 0.00 H new ATOM 0 HA ARG A 166 9.879 -7.445 -8.811 1.00 0.00 H new ATOM 0 HB2 ARG A 166 7.078 -7.414 -7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 166 7.388 -7.200 -9.340 1.00 0.00 H new ATOM 0 HG2 ARG A 166 7.040 -9.465 -9.335 1.00 0.00 H new ATOM 0 HG3 ARG A 166 8.766 -9.469 -9.029 1.00 0.00 H new ATOM 0 HD2 ARG A 166 8.136 -9.404 -6.507 1.00 0.00 H new ATOM 0 HD3 ARG A 166 6.515 -9.822 -7.027 1.00 0.00 H new ATOM 0 HE ARG A 166 8.500 -11.610 -8.176 1.00 0.00 H new ATOM 0 HH11 ARG A 166 6.622 -10.875 -5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 166 6.678 -12.537 -4.681 1.00 0.00 H new ATOM 0 HH21 ARG A 166 8.567 -13.742 -7.403 1.00 0.00 H new ATOM 0 HH22 ARG A 166 7.774 -14.153 -5.879 1.00 0.00 H new ATOM 1259 N GLN A 167 8.814 -5.075 -9.468 1.00 0.00 N ATOM 1260 CA GLN A 167 8.734 -3.644 -9.738 1.00 0.00 C ATOM 1261 C GLN A 167 7.446 -3.055 -9.171 1.00 0.00 C ATOM 1262 O GLN A 167 6.614 -3.774 -8.618 1.00 0.00 O ATOM 1263 CB GLN A 167 8.809 -3.383 -11.243 1.00 0.00 C ATOM 1264 CG GLN A 167 10.099 -3.872 -11.882 1.00 0.00 C ATOM 1265 CD GLN A 167 10.042 -3.857 -13.397 1.00 0.00 C ATOM 1266 OE1 GLN A 167 9.888 -4.899 -14.034 1.00 0.00 O ATOM 1267 NE2 GLN A 167 10.166 -2.672 -13.983 1.00 0.00 N ATOM 0 H GLN A 167 8.646 -5.668 -10.281 1.00 0.00 H new ATOM 0 HA GLN A 167 9.580 -3.159 -9.250 1.00 0.00 H new ATOM 0 HB2 GLN A 167 7.965 -3.870 -11.730 1.00 0.00 H new ATOM 0 HB3 GLN A 167 8.707 -2.313 -11.423 1.00 0.00 H new ATOM 0 HG2 GLN A 167 10.926 -3.246 -11.547 1.00 0.00 H new ATOM 0 HG3 GLN A 167 10.308 -4.886 -11.540 1.00 0.00 H new ATOM 0 HE21 GLN A 167 10.292 -1.833 -13.416 1.00 0.00 H new ATOM 0 HE22 GLN A 167 10.135 -2.600 -15.000 1.00 0.00 H new ATOM 1276 N ILE A 168 7.290 -1.743 -9.312 1.00 0.00 N ATOM 1277 CA ILE A 168 6.104 -1.058 -8.814 1.00 0.00 C ATOM 1278 C ILE A 168 5.568 -0.068 -9.843 1.00 0.00 C ATOM 1279 O ILE A 168 6.260 0.286 -10.798 1.00 0.00 O ATOM 1280 CB ILE A 168 6.396 -0.308 -7.501 1.00 0.00 C ATOM 1281 CG1 ILE A 168 7.538 0.690 -7.701 1.00 0.00 C ATOM 1282 CG2 ILE A 168 6.734 -1.293 -6.392 1.00 0.00 C ATOM 1283 CD1 ILE A 168 7.582 1.777 -6.650 1.00 0.00 C ATOM 0 H ILE A 168 7.970 -1.134 -9.767 1.00 0.00 H new ATOM 0 HA ILE A 168 5.353 -1.825 -8.625 1.00 0.00 H new ATOM 0 HB ILE A 168 5.503 0.245 -7.209 1.00 0.00 H new ATOM 0 HG12 ILE A 168 8.486 0.151 -7.695 1.00 0.00 H new ATOM 0 HG13 ILE A 168 7.439 1.150 -8.684 1.00 0.00 H new ATOM 0 HG21 ILE A 168 6.938 -0.748 -5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 168 5.892 -1.968 -6.236 1.00 0.00 H new ATOM 0 HG23 ILE A 168 7.614 -1.870 -6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 168 8.416 2.448 -6.855 1.00 0.00 H new ATOM 0 HD12 ILE A 168 6.649 2.341 -6.671 1.00 0.00 H new ATOM 0 HD13 ILE A 168 7.712 1.327 -5.666 1.00 0.00 H new ATOM 1295 N ARG A 169 4.332 0.377 -9.641 1.00 0.00 N ATOM 1296 CA ARG A 169 3.704 1.327 -10.551 1.00 0.00 C ATOM 1297 C ARG A 169 3.150 2.527 -9.787 1.00 0.00 C ATOM 1298 O ARG A 169 2.825 2.427 -8.604 1.00 0.00 O ATOM 1299 CB ARG A 169 2.582 0.647 -11.337 1.00 0.00 C ATOM 1300 CG ARG A 169 2.215 1.369 -12.624 1.00 0.00 C ATOM 1301 CD ARG A 169 1.002 0.739 -13.290 1.00 0.00 C ATOM 1302 NE ARG A 169 -0.251 1.243 -12.735 1.00 0.00 N ATOM 1303 CZ ARG A 169 -1.450 0.854 -13.154 1.00 0.00 C ATOM 1304 NH1 ARG A 169 -1.557 -0.040 -14.127 1.00 0.00 N ATOM 1305 NH2 ARG A 169 -2.544 1.359 -12.599 1.00 0.00 N ATOM 0 H ARG A 169 3.746 0.095 -8.855 1.00 0.00 H new ATOM 0 HA ARG A 169 4.464 1.681 -11.248 1.00 0.00 H new ATOM 0 HB2 ARG A 169 2.884 -0.373 -11.576 1.00 0.00 H new ATOM 0 HB3 ARG A 169 1.697 0.578 -10.704 1.00 0.00 H new ATOM 0 HG2 ARG A 169 2.009 2.417 -12.408 1.00 0.00 H new ATOM 0 HG3 ARG A 169 3.062 1.345 -13.310 1.00 0.00 H new ATOM 0 HD2 ARG A 169 1.031 0.940 -14.361 1.00 0.00 H new ATOM 0 HD3 ARG A 169 1.043 -0.343 -13.168 1.00 0.00 H new ATOM 0 HE ARG A 169 -0.203 1.932 -11.984 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -0.718 -0.431 -14.555 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -2.479 -0.337 -14.447 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -2.465 2.047 -11.850 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -3.464 1.060 -12.921 1.00 0.00 H new ATOM 1319 N THR A 170 3.046 3.661 -10.473 1.00 0.00 N ATOM 1320 CA THR A 170 2.534 4.880 -9.859 1.00 0.00 C ATOM 1321 C THR A 170 1.681 5.674 -10.842 1.00 0.00 C ATOM 1322 O THR A 170 1.857 5.571 -12.056 1.00 0.00 O ATOM 1323 CB THR A 170 3.678 5.777 -9.350 1.00 0.00 C ATOM 1324 OG1 THR A 170 4.663 5.944 -10.376 1.00 0.00 O ATOM 1325 CG2 THR A 170 4.325 5.176 -8.111 1.00 0.00 C ATOM 0 H THR A 170 3.309 3.761 -11.453 1.00 0.00 H new ATOM 0 HA THR A 170 1.919 4.573 -9.013 1.00 0.00 H new ATOM 0 HB THR A 170 3.260 6.749 -9.087 1.00 0.00 H new ATOM 0 HG1 THR A 170 4.543 6.816 -10.806 1.00 0.00 H new ATOM 0 HG21 THR A 170 5.130 5.826 -7.769 1.00 0.00 H new ATOM 0 HG22 THR A 170 3.579 5.077 -7.323 1.00 0.00 H new ATOM 0 HG23 THR A 170 4.730 4.193 -8.352 1.00 0.00 H new ATOM 1333 N ASN A 171 0.756 6.467 -10.311 1.00 0.00 N ATOM 1334 CA ASN A 171 -0.125 7.279 -11.143 1.00 0.00 C ATOM 1335 C ASN A 171 -0.976 8.210 -10.285 1.00 0.00 C ATOM 1336 O ASN A 171 -1.104 8.014 -9.077 1.00 0.00 O ATOM 1337 CB ASN A 171 -1.028 6.382 -11.992 1.00 0.00 C ATOM 1338 CG ASN A 171 -2.197 5.825 -11.204 1.00 0.00 C ATOM 1339 OD1 ASN A 171 -2.958 6.573 -10.589 1.00 0.00 O ATOM 1340 ND2 ASN A 171 -2.346 4.506 -11.218 1.00 0.00 N ATOM 0 H ASN A 171 0.597 6.565 -9.308 1.00 0.00 H new ATOM 0 HA ASN A 171 0.495 7.886 -11.802 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -1.405 6.951 -12.842 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -0.440 5.558 -12.396 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -3.115 4.074 -10.706 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -1.692 3.924 -11.741 1.00 0.00 H new ATOM 1347 N TRP A 172 -1.556 9.223 -10.919 1.00 0.00 N ATOM 1348 CA TRP A 172 -2.397 10.185 -10.215 1.00 0.00 C ATOM 1349 C TRP A 172 -3.801 9.630 -10.006 1.00 0.00 C ATOM 1350 O TRP A 172 -4.479 9.254 -10.962 1.00 0.00 O ATOM 1351 CB TRP A 172 -2.465 11.499 -10.994 1.00 0.00 C ATOM 1352 CG TRP A 172 -1.132 12.168 -11.148 1.00 0.00 C ATOM 1353 CD1 TRP A 172 -0.232 11.977 -12.158 1.00 0.00 C ATOM 1354 CD2 TRP A 172 -0.549 13.132 -10.265 1.00 0.00 C ATOM 1355 NE1 TRP A 172 0.875 12.765 -11.955 1.00 0.00 N ATOM 1356 CE2 TRP A 172 0.705 13.484 -10.802 1.00 0.00 C ATOM 1357 CE3 TRP A 172 -0.966 13.734 -9.075 1.00 0.00 C ATOM 1358 CZ2 TRP A 172 1.544 14.409 -10.186 1.00 0.00 C ATOM 1359 CZ3 TRP A 172 -0.131 14.652 -8.465 1.00 0.00 C ATOM 1360 CH2 TRP A 172 1.111 14.983 -9.022 1.00 0.00 C ATOM 0 H TRP A 172 -1.459 9.400 -11.919 1.00 0.00 H new ATOM 0 HA TRP A 172 -1.952 10.373 -9.238 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -2.883 11.306 -11.982 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -3.148 12.179 -10.486 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -0.370 11.306 -12.993 1.00 0.00 H new ATOM 0 HE1 TRP A 172 1.692 12.808 -12.565 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -1.923 13.487 -8.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 2.503 14.664 -10.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -0.442 15.122 -7.543 1.00 0.00 H new ATOM 0 HH2 TRP A 172 1.739 15.706 -8.523 1.00 0.00 H new ATOM 1371 N ALA A 173 -4.233 9.582 -8.750 1.00 0.00 N ATOM 1372 CA ALA A 173 -5.558 9.075 -8.416 1.00 0.00 C ATOM 1373 C ALA A 173 -6.591 10.198 -8.414 1.00 0.00 C ATOM 1374 O ALA A 173 -6.802 10.860 -7.397 1.00 0.00 O ATOM 1375 CB ALA A 173 -5.532 8.377 -7.064 1.00 0.00 C ATOM 0 H ALA A 173 -3.684 9.888 -7.947 1.00 0.00 H new ATOM 0 HA ALA A 173 -5.846 8.352 -9.180 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -6.529 8.004 -6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -4.831 7.543 -7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -5.218 9.084 -6.296 1.00 0.00 H new