USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 675 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 Single : A 0 THR N :NH3+ -168:sc=-0.00692 (180deg=-0.192) USER MOD Single : A 0 THR OG1 : rot -170:sc= -0.059 USER MOD Single : A 1 MET CE :methyl -176:sc= -0.911 (180deg=-0.947) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0.29) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0373 USER MOD Single : A 21 TYR OH : rot 78:sc= 0.558 USER MOD Single : A 29 THR OG1 : rot 113:sc= 1.2 USER MOD Single : A 36 SER OG : rot 81:sc= 0.404 USER MOD Single : A 41 TYR OH : rot 30:sc= -0.6 USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= -0.0624 (180deg=-1.16!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -136:sc= -0.243 (180deg=-0.695) USER MOD Single : A 63 ASN : amide:sc= -0.0807 K(o=-0.081,f=-0.78) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.25 F(o=-1.1,f=-0.25) USER MOD Single : A 73 MET CE :methyl 176:sc= -1.2 (180deg=-1.24) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 110:sc= 0.91 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 0 3.976 -7.495 -13.890 1.00 0.00 N ATOM 181 CA THR A 0 4.235 -6.211 -14.550 1.00 0.00 C ATOM 182 C THR A 0 5.703 -5.806 -14.395 1.00 0.00 C ATOM 183 O THR A 0 6.329 -6.053 -13.354 1.00 0.00 O ATOM 184 CB THR A 0 3.307 -5.085 -13.991 1.00 0.00 C ATOM 185 OG1 THR A 0 3.504 -4.929 -12.582 1.00 0.00 O ATOM 186 CG2 THR A 0 1.831 -5.384 -14.259 1.00 0.00 C ATOM 0 H1 THR A 0 3.041 -7.849 -14.175 1.00 0.00 H new ATOM 0 H2 THR A 0 4.706 -8.182 -14.168 1.00 0.00 H new ATOM 0 H3 THR A 0 3.998 -7.366 -12.858 1.00 0.00 H new ATOM 0 HA THR A 0 4.015 -6.339 -15.610 1.00 0.00 H new ATOM 0 HB THR A 0 3.574 -4.163 -14.507 1.00 0.00 H new ATOM 0 HG1 THR A 0 2.812 -4.338 -12.218 1.00 0.00 H new ATOM 0 HG21 THR A 0 1.217 -4.578 -13.856 1.00 0.00 H new ATOM 0 HG22 THR A 0 1.665 -5.463 -15.333 1.00 0.00 H new ATOM 0 HG23 THR A 0 1.557 -6.324 -13.779 1.00 0.00 H new ATOM 194 N MET A 1 6.230 -5.192 -15.453 1.00 0.00 N ATOM 195 CA MET A 1 7.608 -4.706 -15.522 1.00 0.00 C ATOM 196 C MET A 1 7.635 -3.182 -15.300 1.00 0.00 C ATOM 197 O MET A 1 6.748 -2.455 -15.775 1.00 0.00 O ATOM 198 CB MET A 1 8.210 -5.093 -16.894 1.00 0.00 C ATOM 199 CG MET A 1 7.528 -4.465 -18.108 1.00 0.00 C ATOM 200 SD MET A 1 8.205 -5.067 -19.663 1.00 0.00 S ATOM 201 CE MET A 1 7.369 -3.999 -20.820 1.00 0.00 C ATOM 0 H MET A 1 5.699 -5.014 -16.306 1.00 0.00 H new ATOM 0 HA MET A 1 8.211 -5.165 -14.739 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.263 -4.810 -16.903 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.170 -6.177 -16.997 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.460 -4.679 -18.073 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.637 -3.381 -18.063 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.627 -4.292 -21.838 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.291 -4.084 -20.680 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.677 -2.967 -20.651 1.00 0.00 H new ATOM 211 N GLU A 2 8.645 -2.709 -14.554 1.00 0.00 N ATOM 212 CA GLU A 2 8.799 -1.284 -14.211 1.00 0.00 C ATOM 213 C GLU A 2 9.742 -0.611 -15.207 1.00 0.00 C ATOM 214 O GLU A 2 10.824 -1.116 -15.474 1.00 0.00 O ATOM 215 CB GLU A 2 9.311 -1.136 -12.760 1.00 0.00 C ATOM 216 CG GLU A 2 9.536 0.320 -12.293 1.00 0.00 C ATOM 217 CD GLU A 2 9.565 0.465 -10.765 1.00 0.00 C ATOM 218 OE1 GLU A 2 8.481 0.636 -10.163 1.00 0.00 O ATOM 219 OE2 GLU A 2 10.658 0.381 -10.156 1.00 0.00 O ATOM 0 H GLU A 2 9.380 -3.303 -14.170 1.00 0.00 H new ATOM 0 HA GLU A 2 7.830 -0.789 -14.273 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.596 -1.611 -12.088 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.250 -1.682 -12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.477 0.686 -12.705 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.744 0.951 -12.697 1.00 0.00 H new ATOM 226 N LEU A 3 9.317 0.534 -15.754 1.00 0.00 N ATOM 227 CA LEU A 3 9.990 1.198 -16.881 1.00 0.00 C ATOM 228 C LEU A 3 10.347 2.639 -16.516 1.00 0.00 C ATOM 229 O LEU A 3 9.529 3.335 -15.910 1.00 0.00 O ATOM 230 CB LEU A 3 9.039 1.198 -18.104 1.00 0.00 C ATOM 231 CG LEU A 3 8.377 -0.167 -18.454 1.00 0.00 C ATOM 232 CD1 LEU A 3 7.295 0.011 -19.524 1.00 0.00 C ATOM 233 CD2 LEU A 3 9.436 -1.199 -18.889 1.00 0.00 C ATOM 0 H LEU A 3 8.489 1.031 -15.425 1.00 0.00 H new ATOM 0 HA LEU A 3 10.908 0.660 -17.117 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.249 1.927 -17.925 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.598 1.542 -18.974 1.00 0.00 H new ATOM 0 HG LEU A 3 7.894 -0.551 -17.555 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.847 -0.956 -19.752 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.526 0.689 -19.155 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.742 0.426 -20.427 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.947 -2.143 -19.128 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.963 -0.831 -19.769 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.148 -1.354 -18.078 1.00 0.00 H new ATOM 245 N GLU A 4 11.544 3.096 -16.906 1.00 0.00 N ATOM 246 CA GLU A 4 11.935 4.497 -16.743 1.00 0.00 C ATOM 247 C GLU A 4 11.509 5.280 -17.992 1.00 0.00 C ATOM 248 O GLU A 4 12.151 5.193 -19.037 1.00 0.00 O ATOM 249 CB GLU A 4 13.461 4.641 -16.499 1.00 0.00 C ATOM 250 CG GLU A 4 13.924 6.100 -16.283 1.00 0.00 C ATOM 251 CD GLU A 4 15.439 6.244 -16.054 1.00 0.00 C ATOM 252 OE1 GLU A 4 16.209 6.142 -17.032 1.00 0.00 O ATOM 253 OE2 GLU A 4 15.869 6.485 -14.904 1.00 0.00 O ATOM 0 H GLU A 4 12.259 2.511 -17.338 1.00 0.00 H new ATOM 0 HA GLU A 4 11.433 4.902 -15.864 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.737 4.049 -15.626 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.997 4.222 -17.351 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.639 6.694 -17.152 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.395 6.516 -15.425 1.00 0.00 H new ATOM 260 N LEU A 5 10.415 6.038 -17.897 1.00 0.00 N ATOM 261 CA LEU A 5 9.890 6.782 -19.040 1.00 0.00 C ATOM 262 C LEU A 5 10.473 8.186 -19.023 1.00 0.00 C ATOM 263 O LEU A 5 10.079 9.027 -18.217 1.00 0.00 O ATOM 264 CB LEU A 5 8.350 6.804 -19.013 1.00 0.00 C ATOM 265 CG LEU A 5 7.654 5.420 -18.868 1.00 0.00 C ATOM 266 CD1 LEU A 5 6.137 5.580 -18.978 1.00 0.00 C ATOM 267 CD2 LEU A 5 8.177 4.381 -19.886 1.00 0.00 C ATOM 0 H LEU A 5 9.876 6.152 -17.039 1.00 0.00 H new ATOM 0 HA LEU A 5 10.184 6.291 -19.968 1.00 0.00 H new ATOM 0 HB2 LEU A 5 8.029 7.439 -18.187 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.996 7.273 -19.931 1.00 0.00 H new ATOM 0 HG LEU A 5 7.902 5.034 -17.879 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.660 4.605 -18.875 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.783 6.243 -18.188 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.886 6.006 -19.949 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.657 3.434 -19.739 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.996 4.741 -20.899 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.247 4.234 -19.739 1.00 0.00 H new ATOM 279 N ARG A 6 11.445 8.403 -19.907 1.00 0.00 N ATOM 280 CA ARG A 6 12.186 9.653 -20.008 1.00 0.00 C ATOM 281 C ARG A 6 11.505 10.567 -21.033 1.00 0.00 C ATOM 282 O ARG A 6 11.406 10.221 -22.202 1.00 0.00 O ATOM 283 CB ARG A 6 13.665 9.366 -20.394 1.00 0.00 C ATOM 284 CG ARG A 6 14.325 8.228 -19.583 1.00 0.00 C ATOM 285 CD ARG A 6 15.853 8.171 -19.738 1.00 0.00 C ATOM 286 NE ARG A 6 16.302 8.086 -21.142 1.00 0.00 N ATOM 287 CZ ARG A 6 17.517 7.663 -21.536 1.00 0.00 C ATOM 288 NH1 ARG A 6 18.403 7.238 -20.652 1.00 0.00 N ATOM 289 NH2 ARG A 6 17.833 7.665 -22.820 1.00 0.00 N ATOM 0 H ARG A 6 11.743 7.701 -20.584 1.00 0.00 H new ATOM 0 HA ARG A 6 12.188 10.161 -19.044 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.709 9.114 -21.454 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.247 10.278 -20.259 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.079 8.354 -18.529 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.900 7.275 -19.897 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.290 9.058 -19.279 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.233 7.308 -19.191 1.00 0.00 H new ATOM 0 HE ARG A 6 15.642 8.369 -21.867 1.00 0.00 H new ATOM 0 HH11 ARG A 6 18.169 7.228 -19.659 1.00 0.00 H new ATOM 0 HH12 ARG A 6 19.321 6.920 -20.963 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.156 7.987 -23.511 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.754 7.344 -23.119 1.00 0.00 H new ATOM 303 N PHE A 7 11.030 11.724 -20.570 1.00 0.00 N ATOM 304 CA PHE A 7 10.324 12.715 -21.405 1.00 0.00 C ATOM 305 C PHE A 7 11.238 13.905 -21.662 1.00 0.00 C ATOM 306 O PHE A 7 11.956 14.353 -20.761 1.00 0.00 O ATOM 307 CB PHE A 7 9.025 13.174 -20.709 1.00 0.00 C ATOM 308 CG PHE A 7 8.036 12.047 -20.467 1.00 0.00 C ATOM 309 CD1 PHE A 7 8.095 11.293 -19.306 1.00 0.00 C ATOM 310 CD2 PHE A 7 7.066 11.725 -21.414 1.00 0.00 C ATOM 311 CE1 PHE A 7 7.214 10.256 -19.099 1.00 0.00 C ATOM 312 CE2 PHE A 7 6.188 10.680 -21.205 1.00 0.00 C ATOM 313 CZ PHE A 7 6.266 9.945 -20.045 1.00 0.00 C ATOM 0 H PHE A 7 11.122 12.009 -19.595 1.00 0.00 H new ATOM 0 HA PHE A 7 10.057 12.257 -22.358 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.277 13.636 -19.755 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.547 13.941 -21.318 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.839 11.521 -18.557 1.00 0.00 H new ATOM 0 HD2 PHE A 7 7.000 12.301 -22.325 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.268 9.682 -18.186 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.443 10.441 -21.949 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.584 9.125 -19.878 1.00 0.00 H new ATOM 323 N PHE A 8 11.224 14.405 -22.904 1.00 0.00 N ATOM 324 CA PHE A 8 12.063 15.541 -23.330 1.00 0.00 C ATOM 325 C PHE A 8 11.207 16.556 -24.102 1.00 0.00 C ATOM 326 O PHE A 8 10.136 16.213 -24.615 1.00 0.00 O ATOM 327 CB PHE A 8 13.272 15.047 -24.170 1.00 0.00 C ATOM 328 CG PHE A 8 14.103 13.982 -23.450 1.00 0.00 C ATOM 329 CD1 PHE A 8 15.048 14.331 -22.483 1.00 0.00 C ATOM 330 CD2 PHE A 8 13.901 12.628 -23.710 1.00 0.00 C ATOM 331 CE1 PHE A 8 15.752 13.353 -21.796 1.00 0.00 C ATOM 332 CE2 PHE A 8 14.611 11.660 -23.034 1.00 0.00 C ATOM 333 CZ PHE A 8 15.538 12.018 -22.075 1.00 0.00 C ATOM 0 H PHE A 8 10.630 14.035 -23.646 1.00 0.00 H new ATOM 0 HA PHE A 8 12.468 16.040 -22.450 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.910 14.641 -25.114 1.00 0.00 H new ATOM 0 HB3 PHE A 8 13.911 15.896 -24.412 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.233 15.373 -22.268 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.176 12.332 -24.454 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.470 13.637 -21.041 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.442 10.616 -23.255 1.00 0.00 H new ATOM 0 HZ PHE A 8 16.093 11.257 -21.546 1.00 0.00 H new ATOM 343 N ALA A 9 11.672 17.818 -24.096 1.00 0.00 N ATOM 344 CA ALA A 9 11.049 18.954 -24.795 1.00 0.00 C ATOM 345 C ALA A 9 9.600 19.228 -24.288 1.00 0.00 C ATOM 346 O ALA A 9 9.408 19.385 -23.074 1.00 0.00 O ATOM 347 CB ALA A 9 11.152 18.757 -26.315 1.00 0.00 C ATOM 0 H ALA A 9 12.517 18.082 -23.589 1.00 0.00 H new ATOM 0 HA ALA A 9 11.600 19.864 -24.557 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.688 19.602 -26.824 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.201 18.691 -26.603 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.640 17.838 -26.598 1.00 0.00 H new ATOM 353 N THR A 10 8.593 19.289 -25.199 1.00 0.00 N ATOM 354 CA THR A 10 7.183 19.534 -24.835 1.00 0.00 C ATOM 355 C THR A 10 6.628 18.392 -23.968 1.00 0.00 C ATOM 356 O THR A 10 5.984 18.642 -22.955 1.00 0.00 O ATOM 357 CB THR A 10 6.296 19.721 -26.110 1.00 0.00 C ATOM 358 OG1 THR A 10 6.864 20.751 -26.937 1.00 0.00 O ATOM 359 CG2 THR A 10 4.834 20.074 -25.773 1.00 0.00 C ATOM 0 H THR A 10 8.741 19.169 -26.201 1.00 0.00 H new ATOM 0 HA THR A 10 7.152 20.456 -24.254 1.00 0.00 H new ATOM 0 HB THR A 10 6.280 18.768 -26.639 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.311 20.869 -27.738 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.266 20.192 -26.696 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.395 19.274 -25.176 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.806 21.006 -25.208 1.00 0.00 H new ATOM 367 N PHE A 11 6.944 17.137 -24.345 1.00 0.00 N ATOM 368 CA PHE A 11 6.487 15.942 -23.600 1.00 0.00 C ATOM 369 C PHE A 11 7.023 15.953 -22.147 1.00 0.00 C ATOM 370 O PHE A 11 6.393 15.402 -21.245 1.00 0.00 O ATOM 371 CB PHE A 11 6.916 14.632 -24.327 1.00 0.00 C ATOM 372 CG PHE A 11 6.178 14.294 -25.639 1.00 0.00 C ATOM 373 CD1 PHE A 11 5.163 15.107 -26.154 1.00 0.00 C ATOM 374 CD2 PHE A 11 6.497 13.132 -26.345 1.00 0.00 C ATOM 375 CE1 PHE A 11 4.499 14.762 -27.318 1.00 0.00 C ATOM 376 CE2 PHE A 11 5.832 12.795 -27.513 1.00 0.00 C ATOM 377 CZ PHE A 11 4.836 13.609 -27.998 1.00 0.00 C ATOM 0 H PHE A 11 7.515 16.922 -25.162 1.00 0.00 H new ATOM 0 HA PHE A 11 5.398 15.973 -23.563 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.982 14.697 -24.543 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.781 13.800 -23.636 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.894 16.016 -25.636 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.277 12.484 -25.974 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.713 15.398 -27.697 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.096 11.892 -28.043 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.318 13.347 -28.909 1.00 0.00 H new ATOM 387 N ARG A 12 8.188 16.609 -21.944 1.00 0.00 N ATOM 388 CA ARG A 12 8.828 16.734 -20.620 1.00 0.00 C ATOM 389 C ARG A 12 7.996 17.612 -19.677 1.00 0.00 C ATOM 390 O ARG A 12 7.659 17.198 -18.568 1.00 0.00 O ATOM 391 CB ARG A 12 10.247 17.324 -20.760 1.00 0.00 C ATOM 392 CG ARG A 12 11.067 17.363 -19.455 1.00 0.00 C ATOM 393 CD ARG A 12 12.368 18.172 -19.581 1.00 0.00 C ATOM 394 NE ARG A 12 12.101 19.610 -19.789 1.00 0.00 N ATOM 395 CZ ARG A 12 13.034 20.557 -19.949 1.00 0.00 C ATOM 396 NH1 ARG A 12 14.326 20.251 -19.988 1.00 0.00 N ATOM 397 NH2 ARG A 12 12.665 21.818 -20.078 1.00 0.00 N ATOM 0 H ARG A 12 8.708 17.065 -22.694 1.00 0.00 H new ATOM 0 HA ARG A 12 8.893 15.734 -20.191 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.796 16.740 -21.499 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.166 18.338 -21.151 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.455 17.793 -18.662 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.308 16.343 -19.155 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.967 18.040 -18.680 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.956 17.787 -20.414 1.00 0.00 H new ATOM 0 HE ARG A 12 11.125 19.906 -19.813 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.623 19.280 -19.895 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.021 20.987 -20.111 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.676 22.065 -20.055 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.369 22.546 -20.200 1.00 0.00 H new ATOM 411 N GLU A 13 7.672 18.829 -20.152 1.00 0.00 N ATOM 412 CA GLU A 13 6.977 19.857 -19.345 1.00 0.00 C ATOM 413 C GLU A 13 5.488 19.520 -19.134 1.00 0.00 C ATOM 414 O GLU A 13 4.849 20.038 -18.207 1.00 0.00 O ATOM 415 CB GLU A 13 7.200 21.267 -19.973 1.00 0.00 C ATOM 416 CG GLU A 13 6.855 21.417 -21.477 1.00 0.00 C ATOM 417 CD GLU A 13 5.402 21.837 -21.772 1.00 0.00 C ATOM 418 OE1 GLU A 13 4.530 20.966 -21.914 1.00 0.00 O ATOM 419 OE2 GLU A 13 5.135 23.052 -21.862 1.00 0.00 O ATOM 0 H GLU A 13 7.883 19.130 -21.104 1.00 0.00 H new ATOM 0 HA GLU A 13 7.413 19.868 -18.346 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.605 21.988 -19.413 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.246 21.541 -19.834 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.527 22.154 -21.917 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.052 20.468 -21.976 1.00 0.00 H new ATOM 426 N VAL A 14 4.952 18.654 -20.007 1.00 0.00 N ATOM 427 CA VAL A 14 3.628 18.032 -19.821 1.00 0.00 C ATOM 428 C VAL A 14 3.612 17.181 -18.531 1.00 0.00 C ATOM 429 O VAL A 14 2.704 17.287 -17.696 1.00 0.00 O ATOM 430 CB VAL A 14 3.245 17.142 -21.065 1.00 0.00 C ATOM 431 CG1 VAL A 14 2.040 16.228 -20.766 1.00 0.00 C ATOM 432 CG2 VAL A 14 2.967 18.012 -22.315 1.00 0.00 C ATOM 0 H VAL A 14 5.423 18.363 -20.864 1.00 0.00 H new ATOM 0 HA VAL A 14 2.888 18.827 -19.729 1.00 0.00 H new ATOM 0 HB VAL A 14 4.104 16.504 -21.275 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.808 15.631 -21.648 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.283 15.567 -19.934 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.176 16.839 -20.504 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.706 17.369 -23.155 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.141 18.692 -22.108 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.858 18.588 -22.563 1.00 0.00 H new ATOM 442 N VAL A 15 4.652 16.358 -18.389 1.00 0.00 N ATOM 443 CA VAL A 15 4.815 15.432 -17.261 1.00 0.00 C ATOM 444 C VAL A 15 5.444 16.150 -16.044 1.00 0.00 C ATOM 445 O VAL A 15 5.301 15.704 -14.895 1.00 0.00 O ATOM 446 CB VAL A 15 5.687 14.199 -17.726 1.00 0.00 C ATOM 447 CG1 VAL A 15 5.902 13.158 -16.603 1.00 0.00 C ATOM 448 CG2 VAL A 15 5.037 13.534 -18.966 1.00 0.00 C ATOM 0 H VAL A 15 5.417 16.313 -19.062 1.00 0.00 H new ATOM 0 HA VAL A 15 3.838 15.069 -16.943 1.00 0.00 H new ATOM 0 HB VAL A 15 6.674 14.581 -17.987 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.508 12.335 -16.981 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.414 13.629 -15.763 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.937 12.776 -16.271 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.642 12.685 -19.282 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.035 13.190 -18.711 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.977 14.259 -19.778 1.00 0.00 H new ATOM 458 N GLY A 16 6.115 17.292 -16.315 1.00 0.00 N ATOM 459 CA GLY A 16 6.876 18.032 -15.301 1.00 0.00 C ATOM 460 C GLY A 16 8.135 17.298 -14.845 1.00 0.00 C ATOM 461 O GLY A 16 8.725 17.639 -13.815 1.00 0.00 O ATOM 0 H GLY A 16 6.140 17.719 -17.241 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.156 19.006 -15.704 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.237 18.216 -14.438 1.00 0.00 H new ATOM 465 N GLN A 17 8.553 16.295 -15.639 1.00 0.00 N ATOM 466 CA GLN A 17 9.663 15.378 -15.315 1.00 0.00 C ATOM 467 C GLN A 17 10.448 15.041 -16.588 1.00 0.00 C ATOM 468 O GLN A 17 9.844 14.813 -17.648 1.00 0.00 O ATOM 469 CB GLN A 17 9.120 14.058 -14.686 1.00 0.00 C ATOM 470 CG GLN A 17 8.519 14.186 -13.272 1.00 0.00 C ATOM 471 CD GLN A 17 9.570 14.437 -12.187 1.00 0.00 C ATOM 472 OE1 GLN A 17 9.901 15.578 -11.864 1.00 0.00 O ATOM 473 NE2 GLN A 17 10.128 13.362 -11.640 1.00 0.00 N ATOM 0 H GLN A 17 8.121 16.095 -16.541 1.00 0.00 H new ATOM 0 HA GLN A 17 10.317 15.872 -14.596 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.357 13.649 -15.349 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.933 13.333 -14.650 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.797 15.003 -13.264 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.972 13.274 -13.034 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.831 12.430 -11.930 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.853 13.469 -10.931 1.00 0.00 H new ATOM 482 N LYS A 18 11.791 14.993 -16.465 1.00 0.00 N ATOM 483 CA LYS A 18 12.680 14.532 -17.548 1.00 0.00 C ATOM 484 C LYS A 18 12.683 12.996 -17.626 1.00 0.00 C ATOM 485 O LYS A 18 13.029 12.430 -18.663 1.00 0.00 O ATOM 486 CB LYS A 18 14.128 15.073 -17.359 1.00 0.00 C ATOM 487 CG LYS A 18 14.831 14.601 -16.066 1.00 0.00 C ATOM 488 CD LYS A 18 16.301 15.072 -15.969 1.00 0.00 C ATOM 489 CE LYS A 18 17.199 14.477 -17.075 1.00 0.00 C ATOM 490 NZ LYS A 18 18.607 14.927 -16.952 1.00 0.00 N ATOM 0 H LYS A 18 12.285 15.271 -15.617 1.00 0.00 H new ATOM 0 HA LYS A 18 12.296 14.928 -18.488 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.730 14.768 -18.215 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.097 16.163 -17.363 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.279 14.973 -15.203 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.801 13.512 -16.019 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.333 16.160 -16.029 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.702 14.794 -14.994 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.161 13.389 -17.026 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.810 14.766 -18.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 19.174 14.504 -17.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.648 15.964 -17.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.987 14.629 -16.031 1.00 0.00 H new ATOM 504 N SER A 19 12.330 12.338 -16.498 1.00 0.00 N ATOM 505 CA SER A 19 12.170 10.873 -16.408 1.00 0.00 C ATOM 506 C SER A 19 11.238 10.528 -15.222 1.00 0.00 C ATOM 507 O SER A 19 11.256 11.220 -14.191 1.00 0.00 O ATOM 508 CB SER A 19 13.534 10.151 -16.202 1.00 0.00 C ATOM 509 OG SER A 19 14.549 10.668 -17.043 1.00 0.00 O ATOM 0 H SER A 19 12.147 12.817 -15.616 1.00 0.00 H new ATOM 0 HA SER A 19 11.741 10.530 -17.349 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.842 10.251 -15.161 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.412 9.086 -16.397 1.00 0.00 H new ATOM 0 HG SER A 19 15.387 10.187 -16.879 1.00 0.00 H new ATOM 515 N ILE A 20 10.433 9.462 -15.384 1.00 0.00 N ATOM 516 CA ILE A 20 9.587 8.883 -14.314 1.00 0.00 C ATOM 517 C ILE A 20 9.801 7.361 -14.272 1.00 0.00 C ATOM 518 O ILE A 20 10.491 6.813 -15.131 1.00 0.00 O ATOM 519 CB ILE A 20 8.047 9.192 -14.526 1.00 0.00 C ATOM 520 CG1 ILE A 20 7.487 8.477 -15.792 1.00 0.00 C ATOM 521 CG2 ILE A 20 7.794 10.706 -14.616 1.00 0.00 C ATOM 522 CD1 ILE A 20 6.038 8.816 -16.133 1.00 0.00 C ATOM 0 H ILE A 20 10.348 8.969 -16.273 1.00 0.00 H new ATOM 0 HA ILE A 20 9.885 9.343 -13.372 1.00 0.00 H new ATOM 0 HB ILE A 20 7.519 8.802 -13.656 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.115 8.734 -16.645 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.569 7.400 -15.649 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.729 10.889 -14.761 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.122 11.185 -13.693 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.351 11.119 -15.457 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.738 8.271 -17.028 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.393 8.532 -15.302 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.948 9.887 -16.313 1.00 0.00 H new ATOM 534 N TYR A 21 9.220 6.684 -13.271 1.00 0.00 N ATOM 535 CA TYR A 21 9.123 5.210 -13.253 1.00 0.00 C ATOM 536 C TYR A 21 7.646 4.797 -13.237 1.00 0.00 C ATOM 537 O TYR A 21 6.918 5.066 -12.274 1.00 0.00 O ATOM 538 CB TYR A 21 9.885 4.591 -12.050 1.00 0.00 C ATOM 539 CG TYR A 21 11.413 4.741 -12.135 1.00 0.00 C ATOM 540 CD1 TYR A 21 12.192 3.866 -12.911 1.00 0.00 C ATOM 541 CD2 TYR A 21 12.083 5.736 -11.425 1.00 0.00 C ATOM 542 CE1 TYR A 21 13.568 3.998 -12.974 1.00 0.00 C ATOM 543 CE2 TYR A 21 13.457 5.865 -11.487 1.00 0.00 C ATOM 544 CZ TYR A 21 14.195 4.992 -12.252 1.00 0.00 C ATOM 545 OH TYR A 21 15.572 5.122 -12.305 1.00 0.00 O ATOM 0 H TYR A 21 8.806 7.135 -12.455 1.00 0.00 H new ATOM 0 HA TYR A 21 9.598 4.825 -14.155 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.535 5.060 -11.131 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.637 3.532 -11.982 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.708 3.077 -13.468 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.515 6.421 -10.813 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.149 3.325 -13.587 1.00 0.00 H new ATOM 0 HE2 TYR A 21 13.951 6.651 -10.935 1.00 0.00 H new ATOM 0 HH TYR A 21 15.826 5.570 -13.139 1.00 0.00 H new ATOM 555 N TRP A 22 7.222 4.181 -14.344 1.00 0.00 N ATOM 556 CA TRP A 22 5.899 3.555 -14.516 1.00 0.00 C ATOM 557 C TRP A 22 6.018 2.050 -14.294 1.00 0.00 C ATOM 558 O TRP A 22 7.105 1.535 -14.039 1.00 0.00 O ATOM 559 CB TRP A 22 5.374 3.824 -15.961 1.00 0.00 C ATOM 560 CG TRP A 22 4.289 4.855 -16.083 1.00 0.00 C ATOM 561 CD1 TRP A 22 4.211 6.067 -15.475 1.00 0.00 C ATOM 562 CD2 TRP A 22 3.141 4.753 -16.921 1.00 0.00 C ATOM 563 NE1 TRP A 22 3.102 6.742 -15.917 1.00 0.00 N ATOM 564 CE2 TRP A 22 2.424 5.949 -16.800 1.00 0.00 C ATOM 565 CE3 TRP A 22 2.668 3.762 -17.774 1.00 0.00 C ATOM 566 CZ2 TRP A 22 1.248 6.181 -17.503 1.00 0.00 C ATOM 567 CZ3 TRP A 22 1.503 3.986 -18.460 1.00 0.00 C ATOM 568 CH2 TRP A 22 0.809 5.190 -18.328 1.00 0.00 C ATOM 0 H TRP A 22 7.807 4.099 -15.176 1.00 0.00 H new ATOM 0 HA TRP A 22 5.202 3.979 -13.793 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.215 4.135 -16.580 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.004 2.885 -16.373 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.918 6.444 -14.750 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.828 7.683 -15.633 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.208 2.834 -17.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.705 7.109 -17.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.115 3.218 -19.113 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.099 5.339 -18.894 1.00 0.00 H new ATOM 579 N ARG A 23 4.883 1.352 -14.428 1.00 0.00 N ATOM 580 CA ARG A 23 4.840 -0.108 -14.358 1.00 0.00 C ATOM 581 C ARG A 23 3.588 -0.608 -15.084 1.00 0.00 C ATOM 582 O ARG A 23 2.462 -0.446 -14.596 1.00 0.00 O ATOM 583 CB ARG A 23 4.875 -0.512 -12.866 1.00 0.00 C ATOM 584 CG ARG A 23 5.007 -2.013 -12.551 1.00 0.00 C ATOM 585 CD ARG A 23 5.403 -2.263 -11.074 1.00 0.00 C ATOM 586 NE ARG A 23 4.446 -1.663 -10.108 1.00 0.00 N ATOM 587 CZ ARG A 23 4.570 -0.453 -9.513 1.00 0.00 C ATOM 588 NH1 ARG A 23 5.618 0.334 -9.751 1.00 0.00 N ATOM 589 NH2 ARG A 23 3.638 -0.043 -8.676 1.00 0.00 N ATOM 0 H ARG A 23 3.973 1.785 -14.587 1.00 0.00 H new ATOM 0 HA ARG A 23 5.696 -0.567 -14.853 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.709 0.008 -12.394 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.963 -0.146 -12.394 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.061 -2.512 -12.762 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.756 -2.457 -13.207 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.465 -3.337 -10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.397 -1.853 -10.895 1.00 0.00 H new ATOM 0 HE ARG A 23 3.620 -2.213 -9.872 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.349 0.029 -10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.689 1.241 -9.291 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.831 -0.636 -8.481 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.724 0.867 -8.223 1.00 0.00 H new ATOM 603 N VAL A 24 3.803 -1.171 -16.280 1.00 0.00 N ATOM 604 CA VAL A 24 2.762 -1.838 -17.080 1.00 0.00 C ATOM 605 C VAL A 24 3.127 -3.314 -17.205 1.00 0.00 C ATOM 606 O VAL A 24 4.228 -3.716 -16.820 1.00 0.00 O ATOM 607 CB VAL A 24 2.597 -1.215 -18.521 1.00 0.00 C ATOM 608 CG1 VAL A 24 2.122 0.252 -18.453 1.00 0.00 C ATOM 609 CG2 VAL A 24 3.899 -1.347 -19.355 1.00 0.00 C ATOM 0 H VAL A 24 4.719 -1.177 -16.728 1.00 0.00 H new ATOM 0 HA VAL A 24 1.809 -1.702 -16.569 1.00 0.00 H new ATOM 0 HB VAL A 24 1.823 -1.788 -19.032 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.019 0.648 -19.463 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.159 0.299 -17.945 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.852 0.846 -17.903 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.746 -0.907 -20.340 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.711 -0.826 -18.847 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.156 -2.401 -19.464 1.00 0.00 H new ATOM 619 N ASP A 25 2.208 -4.104 -17.764 1.00 0.00 N ATOM 620 CA ASP A 25 2.393 -5.553 -17.943 1.00 0.00 C ATOM 621 C ASP A 25 3.638 -5.858 -18.816 1.00 0.00 C ATOM 622 O ASP A 25 4.005 -5.066 -19.686 1.00 0.00 O ATOM 623 CB ASP A 25 1.100 -6.162 -18.558 1.00 0.00 C ATOM 624 CG ASP A 25 1.071 -7.705 -18.643 1.00 0.00 C ATOM 625 OD1 ASP A 25 1.825 -8.383 -17.908 1.00 0.00 O ATOM 626 OD2 ASP A 25 0.278 -8.252 -19.441 1.00 0.00 O ATOM 0 H ASP A 25 1.311 -3.760 -18.107 1.00 0.00 H new ATOM 0 HA ASP A 25 2.572 -6.014 -16.971 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.246 -5.831 -17.967 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.969 -5.757 -19.561 1.00 0.00 H new ATOM 631 N ASP A 26 4.292 -6.998 -18.539 1.00 0.00 N ATOM 632 CA ASP A 26 5.455 -7.484 -19.310 1.00 0.00 C ATOM 633 C ASP A 26 5.076 -7.762 -20.781 1.00 0.00 C ATOM 634 O ASP A 26 5.914 -7.661 -21.688 1.00 0.00 O ATOM 635 CB ASP A 26 6.006 -8.760 -18.635 1.00 0.00 C ATOM 636 CG ASP A 26 7.156 -9.445 -19.407 1.00 0.00 C ATOM 637 OD1 ASP A 26 8.323 -9.031 -19.243 1.00 0.00 O ATOM 638 OD2 ASP A 26 6.892 -10.415 -20.163 1.00 0.00 O ATOM 0 H ASP A 26 4.029 -7.614 -17.770 1.00 0.00 H new ATOM 0 HA ASP A 26 6.225 -6.713 -19.317 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.357 -8.505 -17.635 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.191 -9.473 -18.514 1.00 0.00 H new ATOM 643 N ASP A 27 3.791 -8.087 -21.009 1.00 0.00 N ATOM 644 CA ASP A 27 3.245 -8.360 -22.347 1.00 0.00 C ATOM 645 C ASP A 27 2.944 -7.038 -23.080 1.00 0.00 C ATOM 646 O ASP A 27 2.961 -6.983 -24.315 1.00 0.00 O ATOM 647 CB ASP A 27 1.979 -9.242 -22.229 1.00 0.00 C ATOM 648 CG ASP A 27 1.383 -9.643 -23.588 1.00 0.00 C ATOM 649 OD1 ASP A 27 1.929 -10.570 -24.232 1.00 0.00 O ATOM 650 OD2 ASP A 27 0.378 -9.039 -24.022 1.00 0.00 O ATOM 0 H ASP A 27 3.099 -8.168 -20.264 1.00 0.00 H new ATOM 0 HA ASP A 27 3.984 -8.905 -22.934 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.225 -10.144 -21.669 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.224 -8.705 -21.654 1.00 0.00 H new ATOM 655 N ALA A 28 2.710 -5.966 -22.296 1.00 0.00 N ATOM 656 CA ALA A 28 2.526 -4.609 -22.829 1.00 0.00 C ATOM 657 C ALA A 28 3.876 -4.064 -23.336 1.00 0.00 C ATOM 658 O ALA A 28 4.860 -4.084 -22.605 1.00 0.00 O ATOM 659 CB ALA A 28 1.946 -3.689 -21.746 1.00 0.00 C ATOM 0 H ALA A 28 2.644 -6.021 -21.280 1.00 0.00 H new ATOM 0 HA ALA A 28 1.824 -4.642 -23.662 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.814 -2.686 -22.153 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.982 -4.077 -21.417 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.630 -3.649 -20.898 1.00 0.00 H new ATOM 665 N THR A 29 3.902 -3.563 -24.577 1.00 0.00 N ATOM 666 CA THR A 29 5.134 -3.075 -25.238 1.00 0.00 C ATOM 667 C THR A 29 5.183 -1.525 -25.236 1.00 0.00 C ATOM 668 O THR A 29 4.334 -0.887 -24.607 1.00 0.00 O ATOM 669 CB THR A 29 5.231 -3.633 -26.697 1.00 0.00 C ATOM 670 OG1 THR A 29 4.129 -3.157 -27.480 1.00 0.00 O ATOM 671 CG2 THR A 29 5.235 -5.171 -26.737 1.00 0.00 C ATOM 0 H THR A 29 3.069 -3.481 -25.160 1.00 0.00 H new ATOM 0 HA THR A 29 5.993 -3.440 -24.674 1.00 0.00 H new ATOM 0 HB THR A 29 6.176 -3.278 -27.108 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.459 -2.550 -28.175 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.304 -5.508 -27.771 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.090 -5.547 -26.175 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.314 -5.549 -26.293 1.00 0.00 H new ATOM 679 N VAL A 30 6.202 -0.934 -25.927 1.00 0.00 N ATOM 680 CA VAL A 30 6.410 0.546 -26.018 1.00 0.00 C ATOM 681 C VAL A 30 5.115 1.275 -26.448 1.00 0.00 C ATOM 682 O VAL A 30 4.786 2.351 -25.932 1.00 0.00 O ATOM 683 CB VAL A 30 7.585 0.904 -27.022 1.00 0.00 C ATOM 684 CG1 VAL A 30 7.740 2.436 -27.225 1.00 0.00 C ATOM 685 CG2 VAL A 30 8.928 0.288 -26.564 1.00 0.00 C ATOM 0 H VAL A 30 6.904 -1.470 -26.438 1.00 0.00 H new ATOM 0 HA VAL A 30 6.686 0.888 -25.021 1.00 0.00 H new ATOM 0 HB VAL A 30 7.311 0.468 -27.983 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.557 2.630 -27.920 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.814 2.845 -27.630 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.958 2.910 -26.268 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.711 0.553 -27.275 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.187 0.673 -25.578 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.833 -0.797 -26.516 1.00 0.00 H new ATOM 695 N GLY A 31 4.370 0.628 -27.346 1.00 0.00 N ATOM 696 CA GLY A 31 3.131 1.157 -27.889 1.00 0.00 C ATOM 697 C GLY A 31 1.994 1.188 -26.879 1.00 0.00 C ATOM 698 O GLY A 31 1.201 2.122 -26.860 1.00 0.00 O ATOM 0 H GLY A 31 4.619 -0.289 -27.717 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.307 2.167 -28.258 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.831 0.553 -28.745 1.00 0.00 H new ATOM 702 N ASP A 32 1.925 0.142 -26.040 1.00 0.00 N ATOM 703 CA ASP A 32 0.920 0.033 -24.957 1.00 0.00 C ATOM 704 C ASP A 32 1.189 1.064 -23.857 1.00 0.00 C ATOM 705 O ASP A 32 0.261 1.534 -23.182 1.00 0.00 O ATOM 706 CB ASP A 32 0.932 -1.382 -24.337 1.00 0.00 C ATOM 707 CG ASP A 32 0.622 -2.488 -25.352 1.00 0.00 C ATOM 708 OD1 ASP A 32 1.456 -2.726 -26.250 1.00 0.00 O ATOM 709 OD2 ASP A 32 -0.453 -3.110 -25.271 1.00 0.00 O ATOM 0 H ASP A 32 2.561 -0.654 -26.089 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.058 0.225 -25.398 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.910 -1.569 -23.893 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.202 -1.424 -23.529 1.00 0.00 H new ATOM 714 N VAL A 33 2.478 1.382 -23.682 1.00 0.00 N ATOM 715 CA VAL A 33 2.940 2.394 -22.730 1.00 0.00 C ATOM 716 C VAL A 33 2.417 3.778 -23.134 1.00 0.00 C ATOM 717 O VAL A 33 1.614 4.353 -22.402 1.00 0.00 O ATOM 718 CB VAL A 33 4.513 2.368 -22.638 1.00 0.00 C ATOM 719 CG1 VAL A 33 5.095 3.556 -21.841 1.00 0.00 C ATOM 720 CG2 VAL A 33 4.977 1.035 -22.029 1.00 0.00 C ATOM 0 H VAL A 33 3.234 0.939 -24.203 1.00 0.00 H new ATOM 0 HA VAL A 33 2.544 2.168 -21.740 1.00 0.00 H new ATOM 0 HB VAL A 33 4.893 2.465 -23.655 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.182 3.479 -21.815 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.809 4.492 -22.322 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.705 3.537 -20.823 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.065 1.022 -21.968 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.556 0.925 -21.030 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.639 0.211 -22.657 1.00 0.00 H new ATOM 730 N LEU A 34 2.794 4.258 -24.341 1.00 0.00 N ATOM 731 CA LEU A 34 2.375 5.595 -24.825 1.00 0.00 C ATOM 732 C LEU A 34 0.839 5.663 -25.025 1.00 0.00 C ATOM 733 O LEU A 34 0.226 6.718 -24.833 1.00 0.00 O ATOM 734 CB LEU A 34 3.211 6.049 -26.074 1.00 0.00 C ATOM 735 CG LEU A 34 3.434 5.032 -27.240 1.00 0.00 C ATOM 736 CD1 LEU A 34 2.202 4.893 -28.139 1.00 0.00 C ATOM 737 CD2 LEU A 34 4.684 5.404 -28.076 1.00 0.00 C ATOM 0 H LEU A 34 3.384 3.744 -24.995 1.00 0.00 H new ATOM 0 HA LEU A 34 2.602 6.330 -24.053 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.726 6.931 -26.493 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.192 6.364 -25.718 1.00 0.00 H new ATOM 0 HG LEU A 34 3.604 4.060 -26.777 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.410 4.175 -28.933 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.357 4.544 -27.546 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.962 5.861 -28.579 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.813 4.679 -28.879 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.554 6.399 -28.502 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.566 5.397 -27.435 1.00 0.00 H new ATOM 749 N ARG A 35 0.226 4.512 -25.362 1.00 0.00 N ATOM 750 CA ARG A 35 -1.250 4.337 -25.355 1.00 0.00 C ATOM 751 C ARG A 35 -1.860 4.783 -24.008 1.00 0.00 C ATOM 752 O ARG A 35 -2.832 5.542 -23.969 1.00 0.00 O ATOM 753 CB ARG A 35 -1.597 2.842 -25.694 1.00 0.00 C ATOM 754 CG ARG A 35 -2.945 2.272 -25.174 1.00 0.00 C ATOM 755 CD ARG A 35 -4.175 3.060 -25.636 1.00 0.00 C ATOM 756 NE ARG A 35 -5.431 2.490 -25.114 1.00 0.00 N ATOM 757 CZ ARG A 35 -6.627 3.089 -25.164 1.00 0.00 C ATOM 758 NH1 ARG A 35 -6.777 4.259 -25.777 1.00 0.00 N ATOM 759 NH2 ARG A 35 -7.675 2.502 -24.612 1.00 0.00 N ATOM 0 H ARG A 35 0.734 3.675 -25.647 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.693 4.976 -26.119 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.584 2.734 -26.779 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.796 2.216 -25.302 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.043 1.238 -25.506 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.925 2.256 -24.084 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.085 4.096 -25.309 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.209 3.072 -26.725 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.385 1.568 -24.681 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.975 4.711 -26.217 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.694 4.705 -25.808 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.569 1.598 -24.151 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.589 2.953 -24.647 1.00 0.00 H new ATOM 773 N SER A 36 -1.293 4.291 -22.918 1.00 0.00 N ATOM 774 CA SER A 36 -1.770 4.597 -21.572 1.00 0.00 C ATOM 775 C SER A 36 -1.363 6.034 -21.131 1.00 0.00 C ATOM 776 O SER A 36 -2.085 6.669 -20.359 1.00 0.00 O ATOM 777 CB SER A 36 -1.288 3.519 -20.603 1.00 0.00 C ATOM 778 OG SER A 36 -1.724 2.232 -21.014 1.00 0.00 O ATOM 0 H SER A 36 -0.487 3.666 -22.938 1.00 0.00 H new ATOM 0 HA SER A 36 -2.860 4.588 -21.567 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.200 3.537 -20.546 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.663 3.731 -19.602 1.00 0.00 H new ATOM 0 HG SER A 36 -1.132 1.896 -21.719 1.00 0.00 H new ATOM 784 N LEU A 37 -0.192 6.519 -21.602 1.00 0.00 N ATOM 785 CA LEU A 37 0.310 7.891 -21.289 1.00 0.00 C ATOM 786 C LEU A 37 -0.680 9.000 -21.730 1.00 0.00 C ATOM 787 O LEU A 37 -0.763 10.023 -21.067 1.00 0.00 O ATOM 788 CB LEU A 37 1.724 8.159 -21.917 1.00 0.00 C ATOM 789 CG LEU A 37 2.973 7.851 -21.034 1.00 0.00 C ATOM 790 CD1 LEU A 37 2.953 8.645 -19.716 1.00 0.00 C ATOM 791 CD2 LEU A 37 3.115 6.361 -20.769 1.00 0.00 C ATOM 0 H LEU A 37 0.432 5.982 -22.205 1.00 0.00 H new ATOM 0 HA LEU A 37 0.400 7.930 -20.203 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.804 7.570 -22.830 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.769 9.208 -22.210 1.00 0.00 H new ATOM 0 HG LEU A 37 3.847 8.175 -21.599 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.840 8.401 -19.131 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.945 9.713 -19.935 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.060 8.384 -19.147 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.995 6.184 -20.151 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.228 5.998 -20.250 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.224 5.832 -21.716 1.00 0.00 H new ATOM 803 N GLU A 38 -1.392 8.810 -22.860 1.00 0.00 N ATOM 804 CA GLU A 38 -2.440 9.780 -23.291 1.00 0.00 C ATOM 805 C GLU A 38 -3.726 9.622 -22.476 1.00 0.00 C ATOM 806 O GLU A 38 -4.494 10.581 -22.331 1.00 0.00 O ATOM 807 CB GLU A 38 -2.767 9.681 -24.801 1.00 0.00 C ATOM 808 CG GLU A 38 -3.084 8.270 -25.332 1.00 0.00 C ATOM 809 CD GLU A 38 -3.741 8.251 -26.731 1.00 0.00 C ATOM 810 OE1 GLU A 38 -3.302 9.012 -27.622 1.00 0.00 O ATOM 811 OE2 GLU A 38 -4.699 7.473 -26.945 1.00 0.00 O ATOM 0 H GLU A 38 -1.270 8.013 -23.485 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.019 10.768 -23.105 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.620 10.327 -25.011 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.921 10.077 -25.362 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.160 7.692 -25.369 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.746 7.769 -24.626 1.00 0.00 H new ATOM 818 N ALA A 39 -3.967 8.405 -21.970 1.00 0.00 N ATOM 819 CA ALA A 39 -5.122 8.116 -21.109 1.00 0.00 C ATOM 820 C ALA A 39 -4.974 8.807 -19.731 1.00 0.00 C ATOM 821 O ALA A 39 -5.976 9.096 -19.064 1.00 0.00 O ATOM 822 CB ALA A 39 -5.294 6.596 -20.959 1.00 0.00 C ATOM 0 H ALA A 39 -3.370 7.597 -22.145 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.020 8.520 -21.577 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.152 6.388 -20.320 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.456 6.150 -21.940 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.396 6.171 -20.511 1.00 0.00 H new ATOM 828 N GLU A 40 -3.717 9.066 -19.313 1.00 0.00 N ATOM 829 CA GLU A 40 -3.424 9.807 -18.071 1.00 0.00 C ATOM 830 C GLU A 40 -3.324 11.304 -18.362 1.00 0.00 C ATOM 831 O GLU A 40 -4.081 12.118 -17.827 1.00 0.00 O ATOM 832 CB GLU A 40 -2.075 9.350 -17.467 1.00 0.00 C ATOM 833 CG GLU A 40 -1.919 7.853 -17.246 1.00 0.00 C ATOM 834 CD GLU A 40 -2.949 7.251 -16.276 1.00 0.00 C ATOM 835 OE1 GLU A 40 -2.911 7.586 -15.067 1.00 0.00 O ATOM 836 OE2 GLU A 40 -3.788 6.433 -16.707 1.00 0.00 O ATOM 0 H GLU A 40 -2.885 8.770 -19.823 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.233 9.608 -17.368 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.273 9.686 -18.124 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.937 9.855 -16.511 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.000 7.344 -18.207 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.917 7.655 -16.864 1.00 0.00 H new ATOM 843 N TYR A 41 -2.369 11.636 -19.242 1.00 0.00 N ATOM 844 CA TYR A 41 -1.932 13.008 -19.491 1.00 0.00 C ATOM 845 C TYR A 41 -2.725 13.625 -20.649 1.00 0.00 C ATOM 846 O TYR A 41 -2.780 13.062 -21.751 1.00 0.00 O ATOM 847 CB TYR A 41 -0.420 13.051 -19.821 1.00 0.00 C ATOM 848 CG TYR A 41 0.516 12.635 -18.676 1.00 0.00 C ATOM 849 CD1 TYR A 41 0.787 11.289 -18.427 1.00 0.00 C ATOM 850 CD2 TYR A 41 1.149 13.580 -17.867 1.00 0.00 C ATOM 851 CE1 TYR A 41 1.645 10.903 -17.420 1.00 0.00 C ATOM 852 CE2 TYR A 41 2.013 13.192 -16.864 1.00 0.00 C ATOM 853 CZ TYR A 41 2.257 11.855 -16.645 1.00 0.00 C ATOM 854 OH TYR A 41 3.134 11.472 -15.655 1.00 0.00 O ATOM 0 H TYR A 41 -1.874 10.946 -19.807 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.114 13.586 -18.585 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.233 12.400 -20.675 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.161 14.064 -20.129 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.314 10.533 -19.037 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.960 14.631 -18.029 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.835 9.855 -17.242 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.498 13.937 -16.251 1.00 0.00 H new ATOM 0 HH TYR A 41 3.572 10.634 -15.912 1.00 0.00 H new ATOM 864 N ASP A 42 -3.316 14.791 -20.385 1.00 0.00 N ATOM 865 CA ASP A 42 -4.091 15.558 -21.377 1.00 0.00 C ATOM 866 C ASP A 42 -3.146 16.181 -22.415 1.00 0.00 C ATOM 867 O ASP A 42 -3.467 16.261 -23.609 1.00 0.00 O ATOM 868 CB ASP A 42 -4.908 16.660 -20.662 1.00 0.00 C ATOM 869 CG ASP A 42 -5.744 16.113 -19.490 1.00 0.00 C ATOM 870 OD1 ASP A 42 -5.216 16.045 -18.354 1.00 0.00 O ATOM 871 OD2 ASP A 42 -6.915 15.732 -19.695 1.00 0.00 O ATOM 0 H ASP A 42 -3.273 15.239 -19.470 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.779 14.887 -21.892 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.229 17.428 -20.291 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.570 17.141 -21.382 1.00 0.00 H new ATOM 876 N GLY A 43 -1.960 16.592 -21.931 1.00 0.00 N ATOM 877 CA GLY A 43 -0.925 17.207 -22.764 1.00 0.00 C ATOM 878 C GLY A 43 -0.126 16.209 -23.597 1.00 0.00 C ATOM 879 O GLY A 43 0.747 16.620 -24.357 1.00 0.00 O ATOM 0 H GLY A 43 -1.697 16.504 -20.949 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.393 17.930 -23.432 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.239 17.762 -22.123 1.00 0.00 H new ATOM 883 N LEU A 44 -0.381 14.894 -23.425 1.00 0.00 N ATOM 884 CA LEU A 44 0.229 13.834 -24.261 1.00 0.00 C ATOM 885 C LEU A 44 -0.793 13.231 -25.241 1.00 0.00 C ATOM 886 O LEU A 44 -0.418 12.422 -26.079 1.00 0.00 O ATOM 887 CB LEU A 44 0.847 12.708 -23.378 1.00 0.00 C ATOM 888 CG LEU A 44 2.142 13.081 -22.593 1.00 0.00 C ATOM 889 CD1 LEU A 44 2.680 11.898 -21.767 1.00 0.00 C ATOM 890 CD2 LEU A 44 3.230 13.628 -23.536 1.00 0.00 C ATOM 0 H LEU A 44 -1.012 14.537 -22.707 1.00 0.00 H new ATOM 0 HA LEU A 44 1.025 14.301 -24.840 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.093 12.383 -22.661 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.068 11.854 -24.018 1.00 0.00 H new ATOM 0 HG LEU A 44 1.869 13.870 -21.892 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.582 12.204 -21.238 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.925 11.584 -21.046 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.914 11.067 -22.432 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.120 13.879 -22.958 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.481 12.871 -24.279 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.860 14.522 -24.039 1.00 0.00 H new ATOM 902 N ALA A 45 -2.062 13.665 -25.163 1.00 0.00 N ATOM 903 CA ALA A 45 -3.176 13.052 -25.920 1.00 0.00 C ATOM 904 C ALA A 45 -3.033 13.218 -27.454 1.00 0.00 C ATOM 905 O ALA A 45 -2.935 14.346 -27.956 1.00 0.00 O ATOM 906 CB ALA A 45 -4.500 13.644 -25.436 1.00 0.00 C ATOM 0 H ALA A 45 -2.348 14.449 -24.576 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.151 11.979 -25.729 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.324 13.195 -25.991 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.624 13.438 -24.373 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.498 14.722 -25.599 1.00 0.00 H new ATOM 912 N GLY A 46 -2.997 12.072 -28.176 1.00 0.00 N ATOM 913 CA GLY A 46 -3.071 12.041 -29.650 1.00 0.00 C ATOM 914 C GLY A 46 -1.838 12.586 -30.381 1.00 0.00 C ATOM 915 O GLY A 46 -1.881 12.806 -31.596 1.00 0.00 O ATOM 0 H GLY A 46 -2.916 11.148 -27.751 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.235 11.011 -29.967 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.943 12.614 -29.965 1.00 0.00 H new ATOM 919 N ARG A 47 -0.739 12.798 -29.642 1.00 0.00 N ATOM 920 CA ARG A 47 0.553 13.307 -30.193 1.00 0.00 C ATOM 921 C ARG A 47 1.679 12.273 -29.989 1.00 0.00 C ATOM 922 O ARG A 47 2.821 12.502 -30.387 1.00 0.00 O ATOM 923 CB ARG A 47 0.921 14.681 -29.557 1.00 0.00 C ATOM 924 CG ARG A 47 0.517 14.810 -28.080 1.00 0.00 C ATOM 925 CD ARG A 47 1.048 16.071 -27.382 1.00 0.00 C ATOM 926 NE ARG A 47 0.841 17.319 -28.145 1.00 0.00 N ATOM 927 CZ ARG A 47 0.862 18.551 -27.611 1.00 0.00 C ATOM 928 NH1 ARG A 47 0.997 18.721 -26.300 1.00 0.00 N ATOM 929 NH2 ARG A 47 0.726 19.607 -28.390 1.00 0.00 N ATOM 0 H ARG A 47 -0.708 12.624 -28.637 1.00 0.00 H new ATOM 0 HA ARG A 47 0.433 13.460 -31.266 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.997 14.835 -29.644 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.438 15.475 -30.127 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.571 14.803 -28.012 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.875 13.933 -27.541 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.562 16.167 -26.411 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.114 15.946 -27.193 1.00 0.00 H new ATOM 0 HE ARG A 47 0.670 17.239 -29.147 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.086 17.911 -25.687 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.012 19.662 -25.907 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.605 19.487 -29.396 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.742 20.544 -27.987 1.00 0.00 H new ATOM 943 N LEU A 48 1.318 11.134 -29.384 1.00 0.00 N ATOM 944 CA LEU A 48 2.226 9.994 -29.133 1.00 0.00 C ATOM 945 C LEU A 48 1.656 8.717 -29.786 1.00 0.00 C ATOM 946 O LEU A 48 2.290 7.665 -29.766 1.00 0.00 O ATOM 947 CB LEU A 48 2.457 9.826 -27.594 1.00 0.00 C ATOM 948 CG LEU A 48 1.327 9.196 -26.702 1.00 0.00 C ATOM 949 CD1 LEU A 48 1.577 9.503 -25.211 1.00 0.00 C ATOM 950 CD2 LEU A 48 -0.089 9.593 -27.118 1.00 0.00 C ATOM 0 H LEU A 48 0.369 10.970 -29.047 1.00 0.00 H new ATOM 0 HA LEU A 48 3.198 10.185 -29.587 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.352 9.218 -27.463 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.680 10.813 -27.188 1.00 0.00 H new ATOM 0 HG LEU A 48 1.384 8.119 -26.861 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.784 9.058 -24.610 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.538 9.086 -24.910 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.586 10.582 -25.058 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.810 9.117 -26.454 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.197 10.676 -27.055 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.271 9.269 -28.143 1.00 0.00 H new ATOM 962 N ILE A 49 0.422 8.841 -30.344 1.00 0.00 N ATOM 963 CA ILE A 49 -0.224 7.833 -31.213 1.00 0.00 C ATOM 964 C ILE A 49 -0.750 8.545 -32.477 1.00 0.00 C ATOM 965 O ILE A 49 -1.331 9.634 -32.373 1.00 0.00 O ATOM 966 CB ILE A 49 -1.413 7.074 -30.504 1.00 0.00 C ATOM 967 CG1 ILE A 49 -0.884 6.174 -29.351 1.00 0.00 C ATOM 968 CG2 ILE A 49 -2.251 6.226 -31.515 1.00 0.00 C ATOM 969 CD1 ILE A 49 -1.933 5.314 -28.679 1.00 0.00 C ATOM 0 H ILE A 49 -0.160 9.665 -30.196 1.00 0.00 H new ATOM 0 HA ILE A 49 0.524 7.080 -31.460 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.073 7.833 -30.084 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.102 5.525 -29.746 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.420 6.810 -28.597 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.058 5.721 -30.985 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.672 6.881 -32.278 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.608 5.484 -31.988 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.468 4.723 -27.890 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.705 5.952 -28.248 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.382 4.647 -29.415 1.00 0.00 H new ATOM 981 N GLU A 50 -0.511 7.940 -33.654 1.00 0.00 N ATOM 982 CA GLU A 50 -1.178 8.329 -34.911 1.00 0.00 C ATOM 983 C GLU A 50 -1.387 7.057 -35.767 1.00 0.00 C ATOM 984 O GLU A 50 -0.427 6.323 -36.003 1.00 0.00 O ATOM 985 CB GLU A 50 -0.355 9.392 -35.711 1.00 0.00 C ATOM 986 CG GLU A 50 -1.183 10.530 -36.374 1.00 0.00 C ATOM 987 CD GLU A 50 -2.437 10.058 -37.137 1.00 0.00 C ATOM 988 OE1 GLU A 50 -2.300 9.514 -38.248 1.00 0.00 O ATOM 989 OE2 GLU A 50 -3.568 10.223 -36.615 1.00 0.00 O ATOM 0 H GLU A 50 0.148 7.169 -33.761 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.136 8.790 -34.670 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.373 9.843 -35.037 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.208 8.877 -36.489 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.489 11.235 -35.601 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.538 11.074 -37.064 1.00 0.00 H new ATOM 996 N ASP A 51 -2.641 6.815 -36.195 1.00 0.00 N ATOM 997 CA ASP A 51 -3.025 5.696 -37.108 1.00 0.00 C ATOM 998 C ASP A 51 -2.594 4.313 -36.545 1.00 0.00 C ATOM 999 O ASP A 51 -2.307 3.372 -37.284 1.00 0.00 O ATOM 1000 CB ASP A 51 -2.456 5.968 -38.545 1.00 0.00 C ATOM 1001 CG ASP A 51 -3.000 5.020 -39.641 1.00 0.00 C ATOM 1002 OD1 ASP A 51 -4.184 5.156 -40.024 1.00 0.00 O ATOM 1003 OD2 ASP A 51 -2.246 4.147 -40.134 1.00 0.00 O ATOM 0 H ASP A 51 -3.434 7.393 -35.918 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.112 5.657 -37.178 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.686 6.996 -38.825 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.370 5.882 -38.514 1.00 0.00 H new ATOM 1008 N GLY A 52 -2.582 4.205 -35.203 1.00 0.00 N ATOM 1009 CA GLY A 52 -2.270 2.947 -34.514 1.00 0.00 C ATOM 1010 C GLY A 52 -0.781 2.719 -34.268 1.00 0.00 C ATOM 1011 O GLY A 52 -0.417 1.831 -33.490 1.00 0.00 O ATOM 0 H GLY A 52 -2.787 4.982 -34.574 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.791 2.932 -33.557 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.660 2.117 -35.103 1.00 0.00 H new ATOM 1015 N GLU A 53 0.081 3.500 -34.943 1.00 0.00 N ATOM 1016 CA GLU A 53 1.545 3.482 -34.716 1.00 0.00 C ATOM 1017 C GLU A 53 1.938 4.694 -33.852 1.00 0.00 C ATOM 1018 O GLU A 53 1.051 5.410 -33.370 1.00 0.00 O ATOM 1019 CB GLU A 53 2.315 3.481 -36.053 1.00 0.00 C ATOM 1020 CG GLU A 53 2.109 4.739 -36.906 1.00 0.00 C ATOM 1021 CD GLU A 53 3.044 4.809 -38.121 1.00 0.00 C ATOM 1022 OE1 GLU A 53 4.279 4.926 -37.919 1.00 0.00 O ATOM 1023 OE2 GLU A 53 2.563 4.732 -39.271 1.00 0.00 O ATOM 0 H GLU A 53 -0.213 4.162 -35.661 1.00 0.00 H new ATOM 0 HA GLU A 53 1.813 2.566 -34.190 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.379 3.369 -35.845 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.010 2.610 -36.633 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.075 4.771 -37.250 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.266 5.621 -36.284 1.00 0.00 H new ATOM 1030 N VAL A 54 3.254 4.911 -33.630 1.00 0.00 N ATOM 1031 CA VAL A 54 3.722 5.954 -32.693 1.00 0.00 C ATOM 1032 C VAL A 54 3.319 7.385 -33.158 1.00 0.00 C ATOM 1033 O VAL A 54 2.566 8.013 -32.453 1.00 0.00 O ATOM 1034 CB VAL A 54 5.282 5.856 -32.417 1.00 0.00 C ATOM 1035 CG1 VAL A 54 5.622 4.525 -31.698 1.00 0.00 C ATOM 1036 CG2 VAL A 54 6.127 6.006 -33.713 1.00 0.00 C ATOM 0 H VAL A 54 4.002 4.384 -34.081 1.00 0.00 H new ATOM 0 HA VAL A 54 3.214 5.765 -31.747 1.00 0.00 H new ATOM 0 HB VAL A 54 5.544 6.691 -31.768 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.695 4.474 -31.516 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.090 4.479 -30.748 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.319 3.686 -32.324 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.186 5.931 -33.467 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.861 5.216 -34.415 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.927 6.977 -34.167 1.00 0.00 H new ATOM 1046 N LYS A 55 3.694 7.803 -34.395 1.00 0.00 N ATOM 1047 CA LYS A 55 3.447 9.173 -34.955 1.00 0.00 C ATOM 1048 C LYS A 55 4.555 9.503 -35.974 1.00 0.00 C ATOM 1049 O LYS A 55 5.731 9.199 -35.727 1.00 0.00 O ATOM 1050 CB LYS A 55 3.393 10.297 -33.848 1.00 0.00 C ATOM 1051 CG LYS A 55 3.411 11.782 -34.294 1.00 0.00 C ATOM 1052 CD LYS A 55 2.029 12.318 -34.736 1.00 0.00 C ATOM 1053 CE LYS A 55 0.962 12.197 -33.631 1.00 0.00 C ATOM 1054 NZ LYS A 55 -0.314 12.873 -33.990 1.00 0.00 N ATOM 0 H LYS A 55 4.185 7.193 -35.048 1.00 0.00 H new ATOM 0 HA LYS A 55 2.467 9.158 -35.432 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.489 10.139 -33.260 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.239 10.143 -33.178 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.782 12.394 -33.472 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.115 11.896 -35.118 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.126 13.364 -35.028 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.697 11.770 -35.618 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.767 11.143 -33.433 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.350 12.628 -32.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.106 12.392 -33.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.279 13.866 -33.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.450 12.834 -35.020 1.00 0.00 H new ATOM 1068 N PRO A 56 4.194 10.106 -37.140 1.00 0.00 N ATOM 1069 CA PRO A 56 5.173 10.749 -38.058 1.00 0.00 C ATOM 1070 C PRO A 56 5.892 11.951 -37.386 1.00 0.00 C ATOM 1071 O PRO A 56 5.243 12.793 -36.757 1.00 0.00 O ATOM 1072 CB PRO A 56 4.281 11.214 -39.248 1.00 0.00 C ATOM 1073 CG PRO A 56 2.908 11.319 -38.656 1.00 0.00 C ATOM 1074 CD PRO A 56 2.818 10.174 -37.695 1.00 0.00 C ATOM 0 HA PRO A 56 5.978 10.078 -38.358 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.617 12.171 -39.648 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.307 10.498 -40.070 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.768 12.273 -38.149 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.139 11.251 -39.426 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.076 10.355 -36.917 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.536 9.247 -38.195 1.00 0.00 H new ATOM 1082 N HIS A 57 7.235 11.969 -37.496 1.00 0.00 N ATOM 1083 CA HIS A 57 8.129 13.073 -37.039 1.00 0.00 C ATOM 1084 C HIS A 57 8.410 13.071 -35.524 1.00 0.00 C ATOM 1085 O HIS A 57 9.308 13.804 -35.078 1.00 0.00 O ATOM 1086 CB HIS A 57 7.662 14.483 -37.505 1.00 0.00 C ATOM 1087 CG HIS A 57 7.609 14.659 -39.005 1.00 0.00 C ATOM 1088 ND1 HIS A 57 8.724 14.905 -39.776 1.00 0.00 N ATOM 1089 CD2 HIS A 57 6.564 14.633 -39.862 1.00 0.00 C ATOM 1090 CE1 HIS A 57 8.364 15.024 -41.040 1.00 0.00 C ATOM 1091 NE2 HIS A 57 7.059 14.865 -41.120 1.00 0.00 N ATOM 0 H HIS A 57 7.752 11.197 -37.917 1.00 0.00 H new ATOM 0 HA HIS A 57 9.074 12.856 -37.537 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.672 14.679 -37.093 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.335 15.232 -37.087 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.530 14.461 -39.604 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.028 15.219 -41.869 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.507 14.907 -41.977 1.00 0.00 H new ATOM 1100 N VAL A 58 7.667 12.268 -34.732 1.00 0.00 N ATOM 1101 CA VAL A 58 7.951 12.108 -33.287 1.00 0.00 C ATOM 1102 C VAL A 58 9.273 11.336 -33.139 1.00 0.00 C ATOM 1103 O VAL A 58 9.573 10.464 -33.966 1.00 0.00 O ATOM 1104 CB VAL A 58 6.775 11.371 -32.513 1.00 0.00 C ATOM 1105 CG1 VAL A 58 6.809 9.832 -32.676 1.00 0.00 C ATOM 1106 CG2 VAL A 58 6.757 11.755 -31.021 1.00 0.00 C ATOM 0 H VAL A 58 6.871 11.723 -35.065 1.00 0.00 H new ATOM 0 HA VAL A 58 8.034 13.096 -32.835 1.00 0.00 H new ATOM 0 HB VAL A 58 5.851 11.717 -32.976 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.980 9.389 -32.124 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.719 9.576 -33.732 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.751 9.446 -32.288 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.941 11.234 -30.521 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.704 11.472 -30.561 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.613 12.831 -30.924 1.00 0.00 H new ATOM 1116 N ASN A 59 10.093 11.685 -32.142 1.00 0.00 N ATOM 1117 CA ASN A 59 11.360 10.982 -31.906 1.00 0.00 C ATOM 1118 C ASN A 59 11.234 10.184 -30.615 1.00 0.00 C ATOM 1119 O ASN A 59 11.318 10.733 -29.528 1.00 0.00 O ATOM 1120 CB ASN A 59 12.527 12.003 -31.830 1.00 0.00 C ATOM 1121 CG ASN A 59 12.636 12.872 -33.082 1.00 0.00 C ATOM 1122 OD1 ASN A 59 12.057 13.961 -33.155 1.00 0.00 O ATOM 1123 ND2 ASN A 59 13.362 12.397 -34.083 1.00 0.00 N ATOM 0 H ASN A 59 9.904 12.445 -31.489 1.00 0.00 H new ATOM 0 HA ASN A 59 11.577 10.299 -32.727 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.387 12.644 -30.960 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.464 11.466 -31.683 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.455 12.934 -34.945 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.828 11.494 -33.992 1.00 0.00 H new ATOM 1130 N VAL A 60 11.050 8.873 -30.748 1.00 0.00 N ATOM 1131 CA VAL A 60 10.847 7.961 -29.611 1.00 0.00 C ATOM 1132 C VAL A 60 11.937 6.893 -29.620 1.00 0.00 C ATOM 1133 O VAL A 60 12.208 6.282 -30.647 1.00 0.00 O ATOM 1134 CB VAL A 60 9.412 7.312 -29.619 1.00 0.00 C ATOM 1135 CG1 VAL A 60 8.341 8.325 -29.131 1.00 0.00 C ATOM 1136 CG2 VAL A 60 9.026 6.757 -31.017 1.00 0.00 C ATOM 0 H VAL A 60 11.036 8.404 -31.653 1.00 0.00 H new ATOM 0 HA VAL A 60 10.916 8.540 -28.690 1.00 0.00 H new ATOM 0 HB VAL A 60 9.444 6.470 -28.927 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.359 7.852 -29.146 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.576 8.641 -28.115 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.335 9.194 -29.789 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.029 6.320 -30.972 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.034 7.568 -31.745 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.744 5.993 -31.316 1.00 0.00 H new ATOM 1146 N LEU A 61 12.588 6.723 -28.458 1.00 0.00 N ATOM 1147 CA LEU A 61 13.772 5.874 -28.287 1.00 0.00 C ATOM 1148 C LEU A 61 13.504 4.788 -27.241 1.00 0.00 C ATOM 1149 O LEU A 61 12.881 5.039 -26.207 1.00 0.00 O ATOM 1150 CB LEU A 61 15.030 6.696 -27.836 1.00 0.00 C ATOM 1151 CG LEU A 61 15.480 7.918 -28.706 1.00 0.00 C ATOM 1152 CD1 LEU A 61 14.494 9.089 -28.638 1.00 0.00 C ATOM 1153 CD2 LEU A 61 16.912 8.387 -28.336 1.00 0.00 C ATOM 0 H LEU A 61 12.298 7.183 -27.595 1.00 0.00 H new ATOM 0 HA LEU A 61 13.977 5.426 -29.259 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.842 7.060 -26.826 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.871 6.006 -27.775 1.00 0.00 H new ATOM 0 HG LEU A 61 15.490 7.566 -29.738 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.857 9.907 -29.260 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.518 8.764 -28.999 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.404 9.430 -27.606 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.189 9.236 -28.960 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.938 8.684 -27.287 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.616 7.571 -28.500 1.00 0.00 H new ATOM 1165 N LYS A 62 13.985 3.590 -27.529 1.00 0.00 N ATOM 1166 CA LYS A 62 14.098 2.495 -26.572 1.00 0.00 C ATOM 1167 C LYS A 62 15.591 2.265 -26.290 1.00 0.00 C ATOM 1168 O LYS A 62 16.340 1.903 -27.209 1.00 0.00 O ATOM 1169 CB LYS A 62 13.441 1.231 -27.160 1.00 0.00 C ATOM 1170 CG LYS A 62 13.758 -0.077 -26.433 1.00 0.00 C ATOM 1171 CD LYS A 62 13.197 -0.147 -25.012 1.00 0.00 C ATOM 1172 CE LYS A 62 13.944 -1.169 -24.153 1.00 0.00 C ATOM 1173 NZ LYS A 62 14.153 -2.481 -24.814 1.00 0.00 N ATOM 0 H LYS A 62 14.318 3.343 -28.461 1.00 0.00 H new ATOM 0 HA LYS A 62 13.587 2.734 -25.639 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.360 1.372 -27.162 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.751 1.132 -28.200 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.359 -0.909 -27.012 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.840 -0.206 -26.393 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.264 0.836 -24.547 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.140 -0.410 -25.052 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.914 -0.755 -23.877 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.389 -1.325 -23.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.942 -3.246 -24.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.522 -2.560 -25.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.142 -2.558 -25.127 1.00 0.00 H new ATOM 1187 N ASN A 63 16.010 2.522 -25.032 1.00 0.00 N ATOM 1188 CA ASN A 63 17.402 2.310 -24.560 1.00 0.00 C ATOM 1189 C ASN A 63 18.405 3.172 -25.378 1.00 0.00 C ATOM 1190 O ASN A 63 19.545 2.776 -25.638 1.00 0.00 O ATOM 1191 CB ASN A 63 17.751 0.781 -24.596 1.00 0.00 C ATOM 1192 CG ASN A 63 19.039 0.404 -23.855 1.00 0.00 C ATOM 1193 OD1 ASN A 63 19.425 1.057 -22.884 1.00 0.00 O ATOM 1194 ND2 ASN A 63 19.705 -0.657 -24.293 1.00 0.00 N ATOM 0 H ASN A 63 15.390 2.885 -24.308 1.00 0.00 H new ATOM 0 HA ASN A 63 17.485 2.641 -23.525 1.00 0.00 H new ATOM 0 HB2 ASN A 63 16.921 0.222 -24.163 1.00 0.00 H new ATOM 0 HB3 ASN A 63 17.840 0.466 -25.636 1.00 0.00 H new ATOM 0 HD21 ASN A 63 20.561 -0.952 -23.823 1.00 0.00 H new ATOM 0 HD22 ASN A 63 19.361 -1.178 -25.100 1.00 0.00 H new ATOM 1201 N GLY A 64 17.946 4.380 -25.762 1.00 0.00 N ATOM 1202 CA GLY A 64 18.765 5.337 -26.519 1.00 0.00 C ATOM 1203 C GLY A 64 18.766 5.096 -28.033 1.00 0.00 C ATOM 1204 O GLY A 64 19.335 5.895 -28.787 1.00 0.00 O ATOM 0 H GLY A 64 17.004 4.714 -25.556 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.402 6.346 -26.322 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.791 5.291 -26.153 1.00 0.00 H new ATOM 1208 N ARG A 65 18.121 4.004 -28.483 1.00 0.00 N ATOM 1209 CA ARG A 65 17.977 3.674 -29.916 1.00 0.00 C ATOM 1210 C ARG A 65 16.582 4.088 -30.374 1.00 0.00 C ATOM 1211 O ARG A 65 15.588 3.539 -29.901 1.00 0.00 O ATOM 1212 CB ARG A 65 18.198 2.158 -30.172 1.00 0.00 C ATOM 1213 CG ARG A 65 17.990 1.707 -31.642 1.00 0.00 C ATOM 1214 CD ARG A 65 18.936 2.418 -32.634 1.00 0.00 C ATOM 1215 NE ARG A 65 20.362 2.138 -32.364 1.00 0.00 N ATOM 1216 CZ ARG A 65 21.391 2.934 -32.709 1.00 0.00 C ATOM 1217 NH1 ARG A 65 21.183 4.127 -33.259 1.00 0.00 N ATOM 1218 NH2 ARG A 65 22.631 2.537 -32.480 1.00 0.00 N ATOM 0 H ARG A 65 17.683 3.323 -27.863 1.00 0.00 H new ATOM 0 HA ARG A 65 18.735 4.215 -30.483 1.00 0.00 H new ATOM 0 HB2 ARG A 65 19.211 1.897 -29.867 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.518 1.594 -29.534 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.144 0.630 -31.711 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.957 1.900 -31.932 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.694 2.103 -33.649 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.766 3.493 -32.585 1.00 0.00 H new ATOM 0 HE ARG A 65 20.584 1.270 -31.876 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.231 4.453 -33.426 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.976 4.716 -33.514 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.804 1.631 -32.044 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.415 3.136 -32.739 1.00 0.00 H new ATOM 1232 N GLU A 66 16.526 5.052 -31.299 1.00 0.00 N ATOM 1233 CA GLU A 66 15.271 5.664 -31.739 1.00 0.00 C ATOM 1234 C GLU A 66 14.456 4.647 -32.567 1.00 0.00 C ATOM 1235 O GLU A 66 14.813 4.322 -33.702 1.00 0.00 O ATOM 1236 CB GLU A 66 15.577 6.985 -32.513 1.00 0.00 C ATOM 1237 CG GLU A 66 14.510 8.090 -32.373 1.00 0.00 C ATOM 1238 CD GLU A 66 14.928 9.411 -33.042 1.00 0.00 C ATOM 1239 OE1 GLU A 66 14.803 9.536 -34.278 1.00 0.00 O ATOM 1240 OE2 GLU A 66 15.407 10.324 -32.338 1.00 0.00 O ATOM 0 H GLU A 66 17.352 5.429 -31.764 1.00 0.00 H new ATOM 0 HA GLU A 66 14.655 5.934 -30.881 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.532 7.378 -32.165 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.696 6.749 -33.570 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.575 7.744 -32.815 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.316 8.269 -31.316 1.00 0.00 H new ATOM 1247 N VAL A 67 13.367 4.132 -31.958 1.00 0.00 N ATOM 1248 CA VAL A 67 12.521 3.060 -32.532 1.00 0.00 C ATOM 1249 C VAL A 67 11.714 3.502 -33.768 1.00 0.00 C ATOM 1250 O VAL A 67 10.993 2.693 -34.346 1.00 0.00 O ATOM 1251 CB VAL A 67 11.565 2.422 -31.456 1.00 0.00 C ATOM 1252 CG1 VAL A 67 12.363 1.703 -30.356 1.00 0.00 C ATOM 1253 CG2 VAL A 67 10.606 3.465 -30.841 1.00 0.00 C ATOM 0 H VAL A 67 13.046 4.451 -31.044 1.00 0.00 H new ATOM 0 HA VAL A 67 13.225 2.299 -32.870 1.00 0.00 H new ATOM 0 HB VAL A 67 10.955 1.683 -31.975 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.674 1.273 -29.629 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.962 0.909 -30.801 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.019 2.416 -29.857 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.965 2.980 -30.104 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.185 4.251 -30.357 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.989 3.901 -31.627 1.00 0.00 H new ATOM 1263 N VAL A 68 11.839 4.777 -34.169 1.00 0.00 N ATOM 1264 CA VAL A 68 11.274 5.271 -35.438 1.00 0.00 C ATOM 1265 C VAL A 68 12.018 4.662 -36.658 1.00 0.00 C ATOM 1266 O VAL A 68 11.506 4.689 -37.778 1.00 0.00 O ATOM 1267 CB VAL A 68 11.317 6.842 -35.519 1.00 0.00 C ATOM 1268 CG1 VAL A 68 10.614 7.474 -34.297 1.00 0.00 C ATOM 1269 CG2 VAL A 68 12.764 7.378 -35.667 1.00 0.00 C ATOM 0 H VAL A 68 12.330 5.490 -33.629 1.00 0.00 H new ATOM 0 HA VAL A 68 10.232 4.953 -35.466 1.00 0.00 H new ATOM 0 HB VAL A 68 10.774 7.135 -36.418 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.656 8.560 -34.375 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.573 7.152 -34.270 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.116 7.156 -33.383 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.745 8.467 -35.719 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.357 7.066 -34.807 1.00 0.00 H new ATOM 0 HG23 VAL A 68 13.208 6.979 -36.579 1.00 0.00 H new ATOM 1279 N HIS A 69 13.250 4.146 -36.425 1.00 0.00 N ATOM 1280 CA HIS A 69 14.083 3.498 -37.471 1.00 0.00 C ATOM 1281 C HIS A 69 13.808 1.978 -37.544 1.00 0.00 C ATOM 1282 O HIS A 69 14.360 1.279 -38.407 1.00 0.00 O ATOM 1283 CB HIS A 69 15.588 3.745 -37.179 1.00 0.00 C ATOM 1284 CG HIS A 69 15.968 5.194 -37.010 1.00 0.00 C ATOM 1285 ND1 HIS A 69 16.305 5.901 -35.907 1.00 0.00 N flip ATOM 1286 CD2 HIS A 69 16.004 6.090 -38.054 1.00 0.00 C flip ATOM 1287 CE1 HIS A 69 16.531 7.195 -36.300 1.00 0.00 C flip ATOM 1288 NE2 HIS A 69 16.344 7.281 -37.602 1.00 0.00 N flip ATOM 0 H HIS A 69 13.695 4.167 -35.507 1.00 0.00 H new ATOM 0 HA HIS A 69 13.820 3.939 -38.432 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.862 3.204 -36.273 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.176 3.322 -37.993 1.00 0.00 H new ATOM 0 HD2 HIS A 69 15.787 5.854 -39.085 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.815 8.009 -35.650 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.445 8.126 -38.165 1.00 0.00 H new ATOM 1297 N LEU A 70 12.976 1.481 -36.612 1.00 0.00 N ATOM 1298 CA LEU A 70 12.575 0.064 -36.522 1.00 0.00 C ATOM 1299 C LEU A 70 11.126 -0.025 -35.989 1.00 0.00 C ATOM 1300 O LEU A 70 10.312 0.858 -36.290 1.00 0.00 O ATOM 1301 CB LEU A 70 13.593 -0.755 -35.655 1.00 0.00 C ATOM 1302 CG LEU A 70 13.913 -0.224 -34.209 1.00 0.00 C ATOM 1303 CD1 LEU A 70 14.382 -1.367 -33.290 1.00 0.00 C ATOM 1304 CD2 LEU A 70 14.978 0.899 -34.228 1.00 0.00 C ATOM 0 H LEU A 70 12.555 2.062 -35.887 1.00 0.00 H new ATOM 0 HA LEU A 70 12.594 -0.387 -37.514 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.213 -1.772 -35.562 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.532 -0.814 -36.206 1.00 0.00 H new ATOM 0 HG LEU A 70 12.986 0.192 -33.816 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.596 -0.971 -32.297 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.598 -2.121 -33.219 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.284 -1.819 -33.703 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.169 1.237 -33.209 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.902 0.517 -34.663 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.614 1.735 -34.825 1.00 0.00 H new ATOM 1316 N ASP A 71 10.791 -1.108 -35.261 1.00 0.00 N ATOM 1317 CA ASP A 71 9.460 -1.298 -34.662 1.00 0.00 C ATOM 1318 C ASP A 71 9.223 -0.275 -33.527 1.00 0.00 C ATOM 1319 O ASP A 71 9.852 -0.369 -32.469 1.00 0.00 O ATOM 1320 CB ASP A 71 9.337 -2.736 -34.100 1.00 0.00 C ATOM 1321 CG ASP A 71 9.665 -3.828 -35.130 1.00 0.00 C ATOM 1322 OD1 ASP A 71 10.865 -4.159 -35.294 1.00 0.00 O ATOM 1323 OD2 ASP A 71 8.739 -4.370 -35.778 1.00 0.00 O ATOM 0 H ASP A 71 11.437 -1.874 -35.073 1.00 0.00 H new ATOM 0 HA ASP A 71 8.707 -1.144 -35.435 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.005 -2.842 -33.245 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.322 -2.888 -33.732 1.00 0.00 H new ATOM 1328 N GLY A 72 8.338 0.706 -33.767 1.00 0.00 N ATOM 1329 CA GLY A 72 8.012 1.721 -32.759 1.00 0.00 C ATOM 1330 C GLY A 72 7.088 1.190 -31.669 1.00 0.00 C ATOM 1331 O GLY A 72 7.298 1.454 -30.478 1.00 0.00 O ATOM 0 H GLY A 72 7.838 0.815 -34.649 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.933 2.084 -32.304 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.540 2.574 -33.247 1.00 0.00 H new ATOM 1335 N MET A 73 6.064 0.433 -32.091 1.00 0.00 N ATOM 1336 CA MET A 73 5.012 -0.079 -31.190 1.00 0.00 C ATOM 1337 C MET A 73 5.504 -1.280 -30.362 1.00 0.00 C ATOM 1338 O MET A 73 5.236 -1.348 -29.171 1.00 0.00 O ATOM 1339 CB MET A 73 3.743 -0.450 -32.022 1.00 0.00 C ATOM 1340 CG MET A 73 2.798 0.738 -32.276 1.00 0.00 C ATOM 1341 SD MET A 73 1.860 1.147 -30.785 1.00 0.00 S ATOM 1342 CE MET A 73 1.413 2.855 -31.017 1.00 0.00 C ATOM 0 H MET A 73 5.939 0.157 -33.065 1.00 0.00 H new ATOM 0 HA MET A 73 4.754 0.708 -30.481 1.00 0.00 H new ATOM 0 HB2 MET A 73 4.056 -0.864 -32.980 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.194 -1.234 -31.500 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.376 1.605 -32.596 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.112 0.495 -33.087 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.777 3.180 -30.193 1.00 0.00 H new ATOM 0 HE2 MET A 73 2.315 3.467 -31.042 1.00 0.00 H new ATOM 0 HE3 MET A 73 0.873 2.965 -31.958 1.00 0.00 H new ATOM 1352 N ALA A 74 6.274 -2.187 -30.978 1.00 0.00 N ATOM 1353 CA ALA A 74 6.736 -3.421 -30.294 1.00 0.00 C ATOM 1354 C ALA A 74 8.132 -3.835 -30.776 1.00 0.00 C ATOM 1355 O ALA A 74 8.279 -4.724 -31.631 1.00 0.00 O ATOM 1356 CB ALA A 74 5.708 -4.562 -30.470 1.00 0.00 C ATOM 0 H ALA A 74 6.593 -2.098 -31.943 1.00 0.00 H new ATOM 0 HA ALA A 74 6.815 -3.209 -29.228 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.067 -5.457 -29.961 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.752 -4.260 -30.042 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.579 -4.775 -31.531 1.00 0.00 H new ATOM 1362 N THR A 75 9.155 -3.148 -30.248 1.00 0.00 N ATOM 1363 CA THR A 75 10.560 -3.449 -30.551 1.00 0.00 C ATOM 1364 C THR A 75 11.083 -4.643 -29.712 1.00 0.00 C ATOM 1365 O THR A 75 11.322 -5.729 -30.262 1.00 0.00 O ATOM 1366 CB THR A 75 11.484 -2.182 -30.380 1.00 0.00 C ATOM 1367 OG1 THR A 75 12.870 -2.545 -30.527 1.00 0.00 O ATOM 1368 CG2 THR A 75 11.275 -1.457 -29.035 1.00 0.00 C ATOM 0 H THR A 75 9.031 -2.370 -29.600 1.00 0.00 H new ATOM 0 HA THR A 75 10.601 -3.741 -31.600 1.00 0.00 H new ATOM 0 HB THR A 75 11.197 -1.485 -31.168 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.430 -1.748 -30.420 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.940 -0.595 -28.979 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.240 -1.123 -28.959 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.497 -2.140 -28.215 1.00 0.00 H new ATOM 1376 N ALA A 76 11.169 -4.458 -28.376 1.00 0.00 N ATOM 1377 CA ALA A 76 11.947 -5.330 -27.471 1.00 0.00 C ATOM 1378 C ALA A 76 11.921 -4.774 -26.032 1.00 0.00 C ATOM 1379 O ALA A 76 12.895 -4.912 -25.286 1.00 0.00 O ATOM 1380 CB ALA A 76 13.401 -5.496 -27.979 1.00 0.00 C ATOM 0 H ALA A 76 10.697 -3.694 -27.893 1.00 0.00 H new ATOM 0 HA ALA A 76 11.484 -6.317 -27.462 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.953 -6.142 -27.296 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.390 -5.943 -28.973 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.884 -4.520 -28.026 1.00 0.00 H new ATOM 1386 N LEU A 77 10.795 -4.153 -25.637 1.00 0.00 N ATOM 1387 CA LEU A 77 10.673 -3.482 -24.327 1.00 0.00 C ATOM 1388 C LEU A 77 10.551 -4.523 -23.200 1.00 0.00 C ATOM 1389 O LEU A 77 9.811 -5.491 -23.339 1.00 0.00 O ATOM 1390 CB LEU A 77 9.436 -2.551 -24.305 1.00 0.00 C ATOM 1391 CG LEU A 77 9.249 -1.728 -22.994 1.00 0.00 C ATOM 1392 CD1 LEU A 77 10.480 -0.852 -22.704 1.00 0.00 C ATOM 1393 CD2 LEU A 77 7.972 -0.880 -23.042 1.00 0.00 C ATOM 0 H LEU A 77 9.952 -4.101 -26.209 1.00 0.00 H new ATOM 0 HA LEU A 77 11.571 -2.885 -24.168 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.508 -1.858 -25.143 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.543 -3.155 -24.466 1.00 0.00 H new ATOM 0 HG LEU A 77 9.144 -2.440 -22.175 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.318 -0.291 -21.784 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.360 -1.486 -22.593 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.635 -0.158 -23.530 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.872 -0.319 -22.113 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.028 -0.186 -23.881 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.107 -1.531 -23.167 1.00 0.00 H new ATOM 1405 N ASP A 78 11.274 -4.299 -22.083 1.00 0.00 N ATOM 1406 CA ASP A 78 11.358 -5.273 -20.975 1.00 0.00 C ATOM 1407 C ASP A 78 11.564 -4.529 -19.628 1.00 0.00 C ATOM 1408 O ASP A 78 11.573 -3.299 -19.604 1.00 0.00 O ATOM 1409 CB ASP A 78 12.501 -6.284 -21.282 1.00 0.00 C ATOM 1410 CG ASP A 78 12.415 -7.583 -20.468 1.00 0.00 C ATOM 1411 OD1 ASP A 78 11.542 -8.425 -20.769 1.00 0.00 O ATOM 1412 OD2 ASP A 78 13.202 -7.764 -19.514 1.00 0.00 O ATOM 0 H ASP A 78 11.811 -3.446 -21.924 1.00 0.00 H new ATOM 0 HA ASP A 78 10.428 -5.834 -20.884 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.481 -6.530 -22.344 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.460 -5.805 -21.084 1.00 0.00 H new ATOM 1417 N ASP A 79 11.714 -5.278 -18.516 1.00 0.00 N ATOM 1418 CA ASP A 79 11.826 -4.712 -17.148 1.00 0.00 C ATOM 1419 C ASP A 79 13.092 -3.855 -16.955 1.00 0.00 C ATOM 1420 O ASP A 79 14.152 -4.153 -17.514 1.00 0.00 O ATOM 1421 CB ASP A 79 11.791 -5.865 -16.110 1.00 0.00 C ATOM 1422 CG ASP A 79 11.854 -5.389 -14.641 1.00 0.00 C ATOM 1423 OD1 ASP A 79 10.845 -4.852 -14.131 1.00 0.00 O ATOM 1424 OD2 ASP A 79 12.911 -5.545 -13.987 1.00 0.00 O ATOM 0 H ASP A 79 11.761 -6.297 -18.538 1.00 0.00 H new ATOM 0 HA ASP A 79 10.977 -4.045 -16.999 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.879 -6.443 -16.255 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.628 -6.537 -16.300 1.00 0.00 H new ATOM 1429 N GLY A 80 12.951 -2.789 -16.146 1.00 0.00 N ATOM 1430 CA GLY A 80 14.042 -1.849 -15.839 1.00 0.00 C ATOM 1431 C GLY A 80 14.415 -0.900 -16.985 1.00 0.00 C ATOM 1432 O GLY A 80 15.202 0.030 -16.784 1.00 0.00 O ATOM 0 H GLY A 80 12.072 -2.555 -15.685 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.757 -1.254 -14.972 1.00 0.00 H new ATOM 0 HA3 GLY A 80 14.926 -2.420 -15.557 1.00 0.00 H new ATOM 1436 N ASP A 81 13.826 -1.120 -18.173 1.00 0.00 N ATOM 1437 CA ASP A 81 14.229 -0.450 -19.425 1.00 0.00 C ATOM 1438 C ASP A 81 13.687 0.985 -19.523 1.00 0.00 C ATOM 1439 O ASP A 81 12.549 1.268 -19.127 1.00 0.00 O ATOM 1440 CB ASP A 81 13.799 -1.298 -20.647 1.00 0.00 C ATOM 1441 CG ASP A 81 14.778 -2.451 -20.946 1.00 0.00 C ATOM 1442 OD1 ASP A 81 15.832 -2.202 -21.579 1.00 0.00 O ATOM 1443 OD2 ASP A 81 14.511 -3.597 -20.564 1.00 0.00 O ATOM 0 H ASP A 81 13.051 -1.772 -18.294 1.00 0.00 H new ATOM 0 HA ASP A 81 15.316 -0.368 -19.419 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.805 -1.708 -20.468 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.725 -0.654 -21.523 1.00 0.00 H new ATOM 1448 N ALA A 82 14.532 1.873 -20.081 1.00 0.00 N ATOM 1449 CA ALA A 82 14.262 3.309 -20.190 1.00 0.00 C ATOM 1450 C ALA A 82 13.713 3.665 -21.588 1.00 0.00 C ATOM 1451 O ALA A 82 14.439 3.571 -22.593 1.00 0.00 O ATOM 1452 CB ALA A 82 15.541 4.112 -19.879 1.00 0.00 C ATOM 0 H ALA A 82 15.434 1.603 -20.473 1.00 0.00 H new ATOM 0 HA ALA A 82 13.498 3.574 -19.459 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.331 5.178 -19.963 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.875 3.886 -18.866 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.323 3.840 -20.588 1.00 0.00 H new ATOM 1458 N VAL A 83 12.422 4.054 -21.651 1.00 0.00 N ATOM 1459 CA VAL A 83 11.778 4.527 -22.891 1.00 0.00 C ATOM 1460 C VAL A 83 11.860 6.058 -22.951 1.00 0.00 C ATOM 1461 O VAL A 83 11.159 6.752 -22.211 1.00 0.00 O ATOM 1462 CB VAL A 83 10.268 4.093 -22.991 1.00 0.00 C ATOM 1463 CG1 VAL A 83 9.654 4.482 -24.366 1.00 0.00 C ATOM 1464 CG2 VAL A 83 10.103 2.590 -22.712 1.00 0.00 C ATOM 0 H VAL A 83 11.799 4.048 -20.844 1.00 0.00 H new ATOM 0 HA VAL A 83 12.309 4.072 -23.727 1.00 0.00 H new ATOM 0 HB VAL A 83 9.718 4.636 -22.222 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.611 4.168 -24.401 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.712 5.562 -24.498 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.208 3.989 -25.165 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.050 2.319 -22.788 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.678 2.019 -23.441 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.464 2.364 -21.709 1.00 0.00 H new ATOM 1474 N SER A 84 12.719 6.576 -23.828 1.00 0.00 N ATOM 1475 CA SER A 84 12.851 8.022 -24.061 1.00 0.00 C ATOM 1476 C SER A 84 11.816 8.483 -25.094 1.00 0.00 C ATOM 1477 O SER A 84 11.481 7.720 -25.998 1.00 0.00 O ATOM 1478 CB SER A 84 14.263 8.329 -24.575 1.00 0.00 C ATOM 1479 OG SER A 84 15.239 7.723 -23.759 1.00 0.00 O ATOM 0 H SER A 84 13.345 6.009 -24.399 1.00 0.00 H new ATOM 0 HA SER A 84 12.679 8.553 -23.125 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.367 7.971 -25.599 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.420 9.407 -24.596 1.00 0.00 H new ATOM 0 HG SER A 84 15.666 6.990 -24.249 1.00 0.00 H new ATOM 1485 N VAL A 85 11.310 9.719 -24.966 1.00 0.00 N ATOM 1486 CA VAL A 85 10.381 10.313 -25.943 1.00 0.00 C ATOM 1487 C VAL A 85 10.705 11.812 -26.120 1.00 0.00 C ATOM 1488 O VAL A 85 11.042 12.519 -25.164 1.00 0.00 O ATOM 1489 CB VAL A 85 8.851 10.145 -25.547 1.00 0.00 C ATOM 1490 CG1 VAL A 85 8.417 8.659 -25.413 1.00 0.00 C ATOM 1491 CG2 VAL A 85 8.520 10.923 -24.264 1.00 0.00 C ATOM 0 H VAL A 85 11.532 10.335 -24.184 1.00 0.00 H new ATOM 0 HA VAL A 85 10.524 9.771 -26.878 1.00 0.00 H new ATOM 0 HB VAL A 85 8.277 10.567 -26.372 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.363 8.611 -25.141 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.570 8.148 -26.364 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.013 8.174 -24.640 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.466 10.789 -24.019 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.134 10.550 -23.444 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.725 11.983 -24.418 1.00 0.00 H new ATOM 1501 N PHE A 86 10.616 12.261 -27.361 1.00 0.00 N ATOM 1502 CA PHE A 86 10.723 13.666 -27.763 1.00 0.00 C ATOM 1503 C PHE A 86 9.500 13.930 -28.661 1.00 0.00 C ATOM 1504 O PHE A 86 9.177 13.069 -29.490 1.00 0.00 O ATOM 1505 CB PHE A 86 12.010 13.970 -28.596 1.00 0.00 C ATOM 1506 CG PHE A 86 13.362 13.659 -27.947 1.00 0.00 C ATOM 1507 CD1 PHE A 86 13.735 12.344 -27.692 1.00 0.00 C ATOM 1508 CD2 PHE A 86 14.276 14.673 -27.626 1.00 0.00 C ATOM 1509 CE1 PHE A 86 14.961 12.047 -27.138 1.00 0.00 C ATOM 1510 CE2 PHE A 86 15.515 14.362 -27.078 1.00 0.00 C ATOM 1511 CZ PHE A 86 15.847 13.041 -26.832 1.00 0.00 C ATOM 0 H PHE A 86 10.461 11.637 -28.153 1.00 0.00 H new ATOM 0 HA PHE A 86 10.769 14.293 -26.873 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.947 13.409 -29.528 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.998 15.028 -28.859 1.00 0.00 H new ATOM 0 HD1 PHE A 86 13.052 11.542 -27.932 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.015 15.705 -27.806 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.224 11.018 -26.944 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.217 15.149 -26.845 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.805 12.796 -26.399 1.00 0.00 H new ATOM 1521 N PRO A 87 8.800 15.089 -28.526 1.00 0.00 N ATOM 1522 CA PRO A 87 7.662 15.457 -29.405 1.00 0.00 C ATOM 1523 C PRO A 87 8.086 15.639 -30.881 1.00 0.00 C ATOM 1524 O PRO A 87 9.282 15.789 -31.174 1.00 0.00 O ATOM 1525 CB PRO A 87 7.146 16.795 -28.790 1.00 0.00 C ATOM 1526 CG PRO A 87 8.315 17.324 -28.048 1.00 0.00 C ATOM 1527 CD PRO A 87 9.030 16.118 -27.502 1.00 0.00 C ATOM 0 HA PRO A 87 6.901 14.678 -29.439 1.00 0.00 H new ATOM 0 HB2 PRO A 87 6.817 17.489 -29.564 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.296 16.628 -28.129 1.00 0.00 H new ATOM 0 HG2 PRO A 87 8.966 17.902 -28.704 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.000 17.990 -27.244 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.093 16.312 -27.360 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.629 15.818 -26.534 1.00 0.00 H new ATOM 1535 N PRO A 88 7.105 15.619 -31.837 1.00 0.00 N ATOM 1536 CA PRO A 88 7.414 15.831 -33.262 1.00 0.00 C ATOM 1537 C PRO A 88 7.901 17.272 -33.518 1.00 0.00 C ATOM 1538 O PRO A 88 7.269 18.242 -33.080 1.00 0.00 O ATOM 1539 CB PRO A 88 6.061 15.518 -33.965 1.00 0.00 C ATOM 1540 CG PRO A 88 5.016 15.775 -32.923 1.00 0.00 C ATOM 1541 CD PRO A 88 5.651 15.390 -31.603 1.00 0.00 C ATOM 0 HA PRO A 88 8.225 15.205 -33.633 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.913 16.154 -34.838 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.026 14.486 -34.313 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.714 16.822 -32.921 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.120 15.185 -33.113 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.275 16.002 -30.783 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.444 14.351 -31.346 1.00 0.00 H new