USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=14 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 (180deg=-0.182) USER MOD Single : A 0 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 1 MET CE :methyl -152:sc= -1.66 (180deg=-2.99!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.0031) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 106:sc= 0.368 USER MOD Single : A 29 THR OG1 : rot 109:sc= 1.23 USER MOD Single : A 36 SER OG : rot 80:sc= 0.457 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.214 USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.23) USER MOD Single : A 57 HIS : no HD1:sc= -0.0486 X(o=-0.049,f=-0.0087) USER MOD Single : A 59 ASN : amide:sc= -0.415 X(o=-0.42,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -118:sc= 0.224 (180deg=-0.431) USER MOD Single : A 63 ASN : amide:sc=-0.000641 X(o=-0.00064,f=-0.13) USER MOD Single : A 69 HIS : no HD1:sc= -0.601 X(o=-0.6,f=-0.56) USER MOD Single : A 73 MET CE :methyl -165:sc= -0.364 (180deg=-0.604) USER MOD Single : A 75 THR OG1 : rot 160:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.807 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 0 3.947 -7.571 -13.788 1.00 0.00 N ATOM 181 CA THR A 0 4.206 -6.217 -14.263 1.00 0.00 C ATOM 182 C THR A 0 5.693 -5.895 -14.125 1.00 0.00 C ATOM 183 O THR A 0 6.329 -6.261 -13.121 1.00 0.00 O ATOM 184 CB THR A 0 3.364 -5.154 -13.494 1.00 0.00 C ATOM 185 OG1 THR A 0 3.712 -5.159 -12.104 1.00 0.00 O ATOM 186 CG2 THR A 0 1.854 -5.396 -13.663 1.00 0.00 C ATOM 0 H1 THR A 0 2.988 -7.859 -14.067 1.00 0.00 H new ATOM 0 H2 THR A 0 4.640 -8.224 -14.206 1.00 0.00 H new ATOM 0 H3 THR A 0 4.028 -7.597 -12.751 1.00 0.00 H new ATOM 0 HA THR A 0 3.911 -6.176 -15.312 1.00 0.00 H new ATOM 0 HB THR A 0 3.594 -4.177 -13.919 1.00 0.00 H new ATOM 0 HG1 THR A 0 3.179 -4.487 -11.631 1.00 0.00 H new ATOM 0 HG21 THR A 0 1.300 -4.635 -13.113 1.00 0.00 H new ATOM 0 HG22 THR A 0 1.593 -5.342 -14.720 1.00 0.00 H new ATOM 0 HG23 THR A 0 1.598 -6.382 -13.276 1.00 0.00 H new ATOM 194 N MET A 1 6.217 -5.182 -15.117 1.00 0.00 N ATOM 195 CA MET A 1 7.593 -4.680 -15.129 1.00 0.00 C ATOM 196 C MET A 1 7.569 -3.163 -14.922 1.00 0.00 C ATOM 197 O MET A 1 6.507 -2.527 -15.015 1.00 0.00 O ATOM 198 CB MET A 1 8.271 -5.037 -16.474 1.00 0.00 C ATOM 199 CG MET A 1 7.624 -4.387 -17.697 1.00 0.00 C ATOM 200 SD MET A 1 8.377 -4.921 -19.239 1.00 0.00 S ATOM 201 CE MET A 1 7.334 -4.057 -20.399 1.00 0.00 C ATOM 0 H MET A 1 5.689 -4.930 -15.953 1.00 0.00 H new ATOM 0 HA MET A 1 8.166 -5.142 -14.325 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.318 -4.738 -16.430 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.253 -6.120 -16.600 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.561 -4.628 -17.713 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.704 -3.303 -17.613 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.300 -4.609 -21.338 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.327 -3.973 -19.990 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.737 -3.060 -20.578 1.00 0.00 H new ATOM 211 N GLU A 2 8.737 -2.587 -14.651 1.00 0.00 N ATOM 212 CA GLU A 2 8.874 -1.154 -14.390 1.00 0.00 C ATOM 213 C GLU A 2 9.832 -0.540 -15.416 1.00 0.00 C ATOM 214 O GLU A 2 10.898 -1.101 -15.677 1.00 0.00 O ATOM 215 CB GLU A 2 9.387 -0.947 -12.952 1.00 0.00 C ATOM 216 CG GLU A 2 9.256 0.484 -12.423 1.00 0.00 C ATOM 217 CD GLU A 2 9.903 0.646 -11.042 1.00 0.00 C ATOM 218 OE1 GLU A 2 11.107 0.962 -10.974 1.00 0.00 O ATOM 219 OE2 GLU A 2 9.221 0.419 -10.021 1.00 0.00 O ATOM 0 H GLU A 2 9.617 -3.100 -14.606 1.00 0.00 H new ATOM 0 HA GLU A 2 7.908 -0.658 -14.485 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.842 -1.617 -12.287 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.436 -1.240 -12.910 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.723 1.175 -13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.202 0.754 -12.364 1.00 0.00 H new ATOM 226 N LEU A 3 9.442 0.603 -16.002 1.00 0.00 N ATOM 227 CA LEU A 3 10.179 1.238 -17.109 1.00 0.00 C ATOM 228 C LEU A 3 10.494 2.694 -16.759 1.00 0.00 C ATOM 229 O LEU A 3 9.653 3.381 -16.183 1.00 0.00 O ATOM 230 CB LEU A 3 9.318 1.197 -18.396 1.00 0.00 C ATOM 231 CG LEU A 3 8.670 -0.172 -18.749 1.00 0.00 C ATOM 232 CD1 LEU A 3 7.674 -0.007 -19.898 1.00 0.00 C ATOM 233 CD2 LEU A 3 9.740 -1.231 -19.080 1.00 0.00 C ATOM 0 H LEU A 3 8.605 1.115 -15.722 1.00 0.00 H new ATOM 0 HA LEU A 3 11.111 0.696 -17.272 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.523 1.937 -18.300 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.942 1.507 -19.235 1.00 0.00 H new ATOM 0 HG LEU A 3 8.126 -0.528 -17.874 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.228 -0.973 -20.135 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.891 0.692 -19.603 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.192 0.378 -20.776 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.254 -2.176 -19.322 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.330 -0.897 -19.933 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.394 -1.369 -18.219 1.00 0.00 H new ATOM 245 N GLU A 4 11.682 3.166 -17.155 1.00 0.00 N ATOM 246 CA GLU A 4 12.082 4.563 -16.987 1.00 0.00 C ATOM 247 C GLU A 4 11.631 5.358 -18.214 1.00 0.00 C ATOM 248 O GLU A 4 12.236 5.264 -19.284 1.00 0.00 O ATOM 249 CB GLU A 4 13.614 4.692 -16.783 1.00 0.00 C ATOM 250 CG GLU A 4 14.104 6.138 -16.572 1.00 0.00 C ATOM 251 CD GLU A 4 15.623 6.249 -16.357 1.00 0.00 C ATOM 252 OE1 GLU A 4 16.392 6.004 -17.315 1.00 0.00 O ATOM 253 OE2 GLU A 4 16.058 6.592 -15.238 1.00 0.00 O ATOM 0 H GLU A 4 12.393 2.586 -17.602 1.00 0.00 H new ATOM 0 HA GLU A 4 11.604 4.964 -16.093 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.906 4.092 -15.921 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.121 4.271 -17.651 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.823 6.738 -17.438 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.591 6.564 -15.710 1.00 0.00 H new ATOM 260 N LEU A 5 10.540 6.116 -18.070 1.00 0.00 N ATOM 261 CA LEU A 5 9.985 6.896 -19.175 1.00 0.00 C ATOM 262 C LEU A 5 10.558 8.309 -19.113 1.00 0.00 C ATOM 263 O LEU A 5 10.189 9.113 -18.259 1.00 0.00 O ATOM 264 CB LEU A 5 8.447 6.899 -19.127 1.00 0.00 C ATOM 265 CG LEU A 5 7.767 5.507 -18.970 1.00 0.00 C ATOM 266 CD1 LEU A 5 6.247 5.645 -19.055 1.00 0.00 C ATOM 267 CD2 LEU A 5 8.293 4.472 -19.992 1.00 0.00 C ATOM 0 H LEU A 5 10.024 6.205 -17.195 1.00 0.00 H new ATOM 0 HA LEU A 5 10.266 6.443 -20.126 1.00 0.00 H new ATOM 0 HB2 LEU A 5 8.130 7.532 -18.298 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.075 7.362 -20.041 1.00 0.00 H new ATOM 0 HG LEU A 5 8.030 5.126 -17.983 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.786 4.664 -18.944 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.896 6.303 -18.260 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.973 6.067 -20.022 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.786 3.519 -19.839 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.098 4.828 -21.004 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.366 4.338 -19.855 1.00 0.00 H new ATOM 279 N ARG A 6 11.504 8.563 -20.010 1.00 0.00 N ATOM 280 CA ARG A 6 12.240 9.814 -20.092 1.00 0.00 C ATOM 281 C ARG A 6 11.548 10.728 -21.111 1.00 0.00 C ATOM 282 O ARG A 6 11.428 10.372 -22.271 1.00 0.00 O ATOM 283 CB ARG A 6 13.707 9.505 -20.503 1.00 0.00 C ATOM 284 CG ARG A 6 14.374 8.393 -19.658 1.00 0.00 C ATOM 285 CD ARG A 6 15.809 8.068 -20.101 1.00 0.00 C ATOM 286 NE ARG A 6 16.715 9.227 -19.947 1.00 0.00 N ATOM 287 CZ ARG A 6 17.658 9.354 -18.997 1.00 0.00 C ATOM 288 NH1 ARG A 6 17.844 8.401 -18.089 1.00 0.00 N ATOM 289 NH2 ARG A 6 18.424 10.434 -18.969 1.00 0.00 N ATOM 0 H ARG A 6 11.786 7.885 -20.718 1.00 0.00 H new ATOM 0 HA ARG A 6 12.255 10.325 -19.129 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.726 9.211 -21.552 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.298 10.417 -20.417 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.385 8.699 -18.612 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.769 7.488 -19.719 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.188 7.231 -19.514 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.803 7.749 -21.143 1.00 0.00 H new ATOM 0 HE ARG A 6 16.616 9.991 -20.615 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.268 7.560 -18.107 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.563 8.511 -17.374 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.298 11.167 -19.667 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.140 10.533 -18.249 1.00 0.00 H new ATOM 303 N PHE A 7 11.061 11.880 -20.653 1.00 0.00 N ATOM 304 CA PHE A 7 10.354 12.867 -21.494 1.00 0.00 C ATOM 305 C PHE A 7 11.259 14.062 -21.741 1.00 0.00 C ATOM 306 O PHE A 7 11.960 14.507 -20.825 1.00 0.00 O ATOM 307 CB PHE A 7 9.043 13.320 -20.805 1.00 0.00 C ATOM 308 CG PHE A 7 8.090 12.175 -20.526 1.00 0.00 C ATOM 309 CD1 PHE A 7 8.183 11.454 -19.347 1.00 0.00 C ATOM 310 CD2 PHE A 7 7.127 11.796 -21.456 1.00 0.00 C ATOM 311 CE1 PHE A 7 7.345 10.395 -19.107 1.00 0.00 C ATOM 312 CE2 PHE A 7 6.288 10.727 -21.216 1.00 0.00 C ATOM 313 CZ PHE A 7 6.400 10.026 -20.039 1.00 0.00 C ATOM 0 H PHE A 7 11.143 12.165 -19.677 1.00 0.00 H new ATOM 0 HA PHE A 7 10.099 12.407 -22.448 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.286 13.819 -19.867 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.543 14.055 -21.436 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.923 11.728 -18.609 1.00 0.00 H new ATOM 0 HD2 PHE A 7 7.035 12.347 -22.380 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.427 9.846 -18.180 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.547 10.443 -21.949 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.748 9.187 -19.845 1.00 0.00 H new ATOM 323 N PHE A 8 11.263 14.565 -22.986 1.00 0.00 N ATOM 324 CA PHE A 8 12.080 15.727 -23.385 1.00 0.00 C ATOM 325 C PHE A 8 11.220 16.707 -24.187 1.00 0.00 C ATOM 326 O PHE A 8 10.166 16.326 -24.720 1.00 0.00 O ATOM 327 CB PHE A 8 13.329 15.279 -24.181 1.00 0.00 C ATOM 328 CG PHE A 8 14.152 14.236 -23.431 1.00 0.00 C ATOM 329 CD1 PHE A 8 14.935 14.593 -22.332 1.00 0.00 C ATOM 330 CD2 PHE A 8 14.076 12.891 -23.774 1.00 0.00 C ATOM 331 CE1 PHE A 8 15.628 13.635 -21.616 1.00 0.00 C ATOM 332 CE2 PHE A 8 14.774 11.942 -23.072 1.00 0.00 C ATOM 333 CZ PHE A 8 15.542 12.308 -21.984 1.00 0.00 C ATOM 0 H PHE A 8 10.701 14.179 -23.745 1.00 0.00 H new ATOM 0 HA PHE A 8 12.439 16.236 -22.491 1.00 0.00 H new ATOM 0 HB2 PHE A 8 13.017 14.870 -25.142 1.00 0.00 H new ATOM 0 HB3 PHE A 8 13.953 16.147 -24.392 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.000 15.630 -22.038 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.458 12.589 -24.606 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.235 13.924 -20.771 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.723 10.905 -23.371 1.00 0.00 H new ATOM 0 HZ PHE A 8 16.075 11.556 -21.421 1.00 0.00 H new ATOM 343 N ALA A 9 11.655 17.983 -24.181 1.00 0.00 N ATOM 344 CA ALA A 9 11.013 19.091 -24.903 1.00 0.00 C ATOM 345 C ALA A 9 9.555 19.333 -24.406 1.00 0.00 C ATOM 346 O ALA A 9 9.341 19.420 -23.191 1.00 0.00 O ATOM 347 CB ALA A 9 11.124 18.860 -26.419 1.00 0.00 C ATOM 0 H ALA A 9 12.482 18.275 -23.661 1.00 0.00 H new ATOM 0 HA ALA A 9 11.541 20.019 -24.685 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.646 19.684 -26.949 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.175 18.807 -26.703 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.629 17.925 -26.682 1.00 0.00 H new ATOM 353 N THR A 10 8.560 19.446 -25.334 1.00 0.00 N ATOM 354 CA THR A 10 7.139 19.669 -24.981 1.00 0.00 C ATOM 355 C THR A 10 6.607 18.544 -24.073 1.00 0.00 C ATOM 356 O THR A 10 6.027 18.819 -23.029 1.00 0.00 O ATOM 357 CB THR A 10 6.246 19.773 -26.262 1.00 0.00 C ATOM 358 OG1 THR A 10 6.759 20.800 -27.124 1.00 0.00 O ATOM 359 CG2 THR A 10 4.767 20.075 -25.934 1.00 0.00 C ATOM 0 H THR A 10 8.726 19.385 -26.338 1.00 0.00 H new ATOM 0 HA THR A 10 7.089 20.613 -24.439 1.00 0.00 H new ATOM 0 HB THR A 10 6.280 18.802 -26.757 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.200 20.863 -27.926 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.194 20.136 -26.859 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.363 19.279 -25.309 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.699 21.024 -25.402 1.00 0.00 H new ATOM 367 N PHE A 11 6.891 17.281 -24.455 1.00 0.00 N ATOM 368 CA PHE A 11 6.440 16.085 -23.698 1.00 0.00 C ATOM 369 C PHE A 11 6.964 16.103 -22.242 1.00 0.00 C ATOM 370 O PHE A 11 6.330 15.540 -21.350 1.00 0.00 O ATOM 371 CB PHE A 11 6.886 14.770 -24.415 1.00 0.00 C ATOM 372 CG PHE A 11 6.138 14.411 -25.713 1.00 0.00 C ATOM 373 CD1 PHE A 11 5.245 15.294 -26.323 1.00 0.00 C ATOM 374 CD2 PHE A 11 6.316 13.156 -26.307 1.00 0.00 C ATOM 375 CE1 PHE A 11 4.572 14.935 -27.478 1.00 0.00 C ATOM 376 CE2 PHE A 11 5.643 12.806 -27.463 1.00 0.00 C ATOM 377 CZ PHE A 11 4.766 13.692 -28.043 1.00 0.00 C ATOM 0 H PHE A 11 7.434 17.058 -25.289 1.00 0.00 H new ATOM 0 HA PHE A 11 5.351 16.114 -23.666 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.949 14.849 -24.644 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.771 13.943 -23.714 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.077 16.268 -25.889 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.993 12.447 -25.853 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.890 15.633 -27.940 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.806 11.837 -27.910 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.230 13.415 -28.939 1.00 0.00 H new ATOM 387 N ARG A 12 8.108 16.789 -22.025 1.00 0.00 N ATOM 388 CA ARG A 12 8.729 16.917 -20.696 1.00 0.00 C ATOM 389 C ARG A 12 7.897 17.831 -19.792 1.00 0.00 C ATOM 390 O ARG A 12 7.594 17.457 -18.661 1.00 0.00 O ATOM 391 CB ARG A 12 10.192 17.421 -20.819 1.00 0.00 C ATOM 392 CG ARG A 12 11.057 17.391 -19.519 1.00 0.00 C ATOM 393 CD ARG A 12 10.949 18.658 -18.644 1.00 0.00 C ATOM 394 NE ARG A 12 11.214 19.894 -19.415 1.00 0.00 N ATOM 395 CZ ARG A 12 10.676 21.096 -19.155 1.00 0.00 C ATOM 396 NH1 ARG A 12 9.807 21.254 -18.159 1.00 0.00 N ATOM 397 NH2 ARG A 12 10.988 22.132 -19.915 1.00 0.00 N ATOM 0 H ARG A 12 8.622 17.266 -22.766 1.00 0.00 H new ATOM 0 HA ARG A 12 8.756 15.930 -20.233 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.696 16.821 -21.577 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.169 18.446 -21.188 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.762 16.528 -18.922 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.101 17.245 -19.797 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.952 18.711 -18.206 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.657 18.588 -17.818 1.00 0.00 H new ATOM 0 HE ARG A 12 11.855 19.827 -20.205 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.542 20.456 -17.582 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.406 22.173 -17.973 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.635 22.016 -20.695 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.582 23.047 -19.721 1.00 0.00 H new ATOM 411 N GLU A 13 7.545 19.033 -20.296 1.00 0.00 N ATOM 412 CA GLU A 13 6.814 20.045 -19.497 1.00 0.00 C ATOM 413 C GLU A 13 5.331 19.668 -19.308 1.00 0.00 C ATOM 414 O GLU A 13 4.701 20.089 -18.333 1.00 0.00 O ATOM 415 CB GLU A 13 7.012 21.484 -20.083 1.00 0.00 C ATOM 416 CG GLU A 13 6.555 21.727 -21.546 1.00 0.00 C ATOM 417 CD GLU A 13 5.030 21.872 -21.733 1.00 0.00 C ATOM 418 OE1 GLU A 13 4.370 22.524 -20.894 1.00 0.00 O ATOM 419 OE2 GLU A 13 4.486 21.357 -22.733 1.00 0.00 O ATOM 0 H GLU A 13 7.754 19.328 -21.250 1.00 0.00 H new ATOM 0 HA GLU A 13 7.247 20.056 -18.497 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.478 22.185 -19.442 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.071 21.733 -20.015 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.040 22.630 -21.918 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.905 20.900 -22.163 1.00 0.00 H new ATOM 426 N VAL A 14 4.798 18.872 -20.253 1.00 0.00 N ATOM 427 CA VAL A 14 3.460 18.255 -20.145 1.00 0.00 C ATOM 428 C VAL A 14 3.391 17.360 -18.893 1.00 0.00 C ATOM 429 O VAL A 14 2.512 17.517 -18.036 1.00 0.00 O ATOM 430 CB VAL A 14 3.121 17.399 -21.421 1.00 0.00 C ATOM 431 CG1 VAL A 14 1.872 16.532 -21.188 1.00 0.00 C ATOM 432 CG2 VAL A 14 2.947 18.283 -22.681 1.00 0.00 C ATOM 0 H VAL A 14 5.285 18.637 -21.118 1.00 0.00 H new ATOM 0 HA VAL A 14 2.727 19.058 -20.064 1.00 0.00 H new ATOM 0 HB VAL A 14 3.970 16.739 -21.599 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.660 15.951 -22.085 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.049 15.856 -20.351 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.021 17.174 -20.962 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.714 17.652 -23.539 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.134 18.991 -22.519 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.871 18.829 -22.873 1.00 0.00 H new ATOM 442 N VAL A 15 4.342 16.422 -18.826 1.00 0.00 N ATOM 443 CA VAL A 15 4.477 15.486 -17.707 1.00 0.00 C ATOM 444 C VAL A 15 5.017 16.218 -16.463 1.00 0.00 C ATOM 445 O VAL A 15 4.747 15.813 -15.330 1.00 0.00 O ATOM 446 CB VAL A 15 5.387 14.270 -18.137 1.00 0.00 C ATOM 447 CG1 VAL A 15 5.667 13.281 -16.976 1.00 0.00 C ATOM 448 CG2 VAL A 15 4.734 13.531 -19.334 1.00 0.00 C ATOM 0 H VAL A 15 5.045 16.291 -19.553 1.00 0.00 H new ATOM 0 HA VAL A 15 3.500 15.084 -17.439 1.00 0.00 H new ATOM 0 HB VAL A 15 6.354 14.677 -18.432 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.297 12.468 -17.335 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.176 13.805 -16.167 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.725 12.875 -16.609 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.363 12.692 -19.630 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.751 13.162 -19.041 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.629 14.219 -20.173 1.00 0.00 H new ATOM 458 N GLY A 16 5.729 17.337 -16.711 1.00 0.00 N ATOM 459 CA GLY A 16 6.419 18.103 -15.668 1.00 0.00 C ATOM 460 C GLY A 16 7.613 17.365 -15.079 1.00 0.00 C ATOM 461 O GLY A 16 8.182 17.791 -14.072 1.00 0.00 O ATOM 0 H GLY A 16 5.838 17.731 -17.646 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.755 19.052 -16.085 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.714 18.337 -14.870 1.00 0.00 H new ATOM 465 N GLN A 17 8.001 16.251 -15.734 1.00 0.00 N ATOM 466 CA GLN A 17 9.037 15.330 -15.252 1.00 0.00 C ATOM 467 C GLN A 17 9.856 14.865 -16.473 1.00 0.00 C ATOM 468 O GLN A 17 9.274 14.536 -17.515 1.00 0.00 O ATOM 469 CB GLN A 17 8.407 14.098 -14.515 1.00 0.00 C ATOM 470 CG GLN A 17 7.210 14.420 -13.578 1.00 0.00 C ATOM 471 CD GLN A 17 6.708 13.238 -12.759 1.00 0.00 C ATOM 472 OE1 GLN A 17 7.186 12.987 -11.655 1.00 0.00 O ATOM 473 NE2 GLN A 17 5.763 12.490 -13.306 1.00 0.00 N ATOM 0 H GLN A 17 7.594 15.967 -16.625 1.00 0.00 H new ATOM 0 HA GLN A 17 9.676 15.840 -14.531 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.076 13.379 -15.264 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.185 13.611 -13.927 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.504 15.218 -12.896 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.387 14.803 -14.181 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.390 12.730 -14.225 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.407 11.674 -12.809 1.00 0.00 H new ATOM 482 N LYS A 18 11.195 14.837 -16.333 1.00 0.00 N ATOM 483 CA LYS A 18 12.115 14.507 -17.443 1.00 0.00 C ATOM 484 C LYS A 18 12.421 13.001 -17.518 1.00 0.00 C ATOM 485 O LYS A 18 12.857 12.518 -18.561 1.00 0.00 O ATOM 486 CB LYS A 18 13.426 15.320 -17.332 1.00 0.00 C ATOM 487 CG LYS A 18 14.232 15.105 -16.027 1.00 0.00 C ATOM 488 CD LYS A 18 15.590 15.843 -16.064 1.00 0.00 C ATOM 489 CE LYS A 18 16.518 15.300 -17.171 1.00 0.00 C ATOM 490 NZ LYS A 18 17.783 16.057 -17.280 1.00 0.00 N ATOM 0 H LYS A 18 11.669 15.041 -15.453 1.00 0.00 H new ATOM 0 HA LYS A 18 11.608 14.782 -18.368 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.064 15.067 -18.179 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.185 16.379 -17.420 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.649 15.459 -15.177 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.401 14.039 -15.876 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.419 16.907 -16.225 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.083 15.742 -15.097 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.743 14.253 -16.969 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.995 15.335 -18.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.367 15.650 -18.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.574 17.052 -17.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.299 16.003 -16.379 1.00 0.00 H new ATOM 504 N SER A 19 12.239 12.288 -16.400 1.00 0.00 N ATOM 505 CA SER A 19 12.331 10.816 -16.336 1.00 0.00 C ATOM 506 C SER A 19 11.498 10.337 -15.138 1.00 0.00 C ATOM 507 O SER A 19 11.589 10.922 -14.051 1.00 0.00 O ATOM 508 CB SER A 19 13.795 10.316 -16.176 1.00 0.00 C ATOM 509 OG SER A 19 14.677 10.884 -17.145 1.00 0.00 O ATOM 0 H SER A 19 12.021 12.718 -15.501 1.00 0.00 H new ATOM 0 HA SER A 19 11.955 10.409 -17.275 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.152 10.562 -15.176 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.816 9.230 -16.263 1.00 0.00 H new ATOM 0 HG SER A 19 15.584 10.541 -17.003 1.00 0.00 H new ATOM 515 N ILE A 20 10.686 9.294 -15.345 1.00 0.00 N ATOM 516 CA ILE A 20 9.836 8.678 -14.297 1.00 0.00 C ATOM 517 C ILE A 20 10.028 7.162 -14.323 1.00 0.00 C ATOM 518 O ILE A 20 10.748 6.651 -15.175 1.00 0.00 O ATOM 519 CB ILE A 20 8.311 9.015 -14.520 1.00 0.00 C ATOM 520 CG1 ILE A 20 7.782 8.398 -15.848 1.00 0.00 C ATOM 521 CG2 ILE A 20 8.088 10.532 -14.511 1.00 0.00 C ATOM 522 CD1 ILE A 20 6.347 8.770 -16.193 1.00 0.00 C ATOM 0 H ILE A 20 10.593 8.842 -16.254 1.00 0.00 H new ATOM 0 HA ILE A 20 10.135 9.084 -13.331 1.00 0.00 H new ATOM 0 HB ILE A 20 7.750 8.573 -13.697 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.432 8.714 -16.664 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.856 7.312 -15.784 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.030 10.745 -14.666 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.403 10.940 -13.551 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.672 10.990 -15.309 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.064 8.296 -17.133 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.682 8.429 -15.400 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.266 9.852 -16.294 1.00 0.00 H new ATOM 534 N TYR A 21 9.384 6.448 -13.392 1.00 0.00 N ATOM 535 CA TYR A 21 9.272 4.981 -13.452 1.00 0.00 C ATOM 536 C TYR A 21 7.788 4.578 -13.381 1.00 0.00 C ATOM 537 O TYR A 21 7.122 4.772 -12.363 1.00 0.00 O ATOM 538 CB TYR A 21 10.106 4.297 -12.331 1.00 0.00 C ATOM 539 CG TYR A 21 11.632 4.332 -12.562 1.00 0.00 C ATOM 540 CD1 TYR A 21 12.281 3.323 -13.291 1.00 0.00 C ATOM 541 CD2 TYR A 21 12.422 5.365 -12.052 1.00 0.00 C ATOM 542 CE1 TYR A 21 13.644 3.349 -13.488 1.00 0.00 C ATOM 543 CE2 TYR A 21 13.791 5.389 -12.251 1.00 0.00 C ATOM 544 CZ TYR A 21 14.396 4.377 -12.966 1.00 0.00 C ATOM 545 OH TYR A 21 15.758 4.392 -13.169 1.00 0.00 O ATOM 0 H TYR A 21 8.928 6.865 -12.580 1.00 0.00 H new ATOM 0 HA TYR A 21 9.685 4.635 -14.400 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.883 4.783 -11.381 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.788 3.258 -12.240 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.701 2.511 -13.705 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.955 6.161 -11.491 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.123 2.562 -14.052 1.00 0.00 H new ATOM 0 HE2 TYR A 21 14.383 6.197 -11.848 1.00 0.00 H new ATOM 0 HH TYR A 21 15.982 5.077 -13.833 1.00 0.00 H new ATOM 555 N TRP A 22 7.290 4.027 -14.491 1.00 0.00 N ATOM 556 CA TRP A 22 5.906 3.540 -14.638 1.00 0.00 C ATOM 557 C TRP A 22 5.868 2.036 -14.388 1.00 0.00 C ATOM 558 O TRP A 22 6.878 1.349 -14.560 1.00 0.00 O ATOM 559 CB TRP A 22 5.387 3.846 -16.077 1.00 0.00 C ATOM 560 CG TRP A 22 4.342 4.929 -16.193 1.00 0.00 C ATOM 561 CD1 TRP A 22 4.322 6.142 -15.583 1.00 0.00 C ATOM 562 CD2 TRP A 22 3.190 4.885 -17.029 1.00 0.00 C ATOM 563 NE1 TRP A 22 3.236 6.864 -16.010 1.00 0.00 N ATOM 564 CE2 TRP A 22 2.519 6.108 -16.892 1.00 0.00 C ATOM 565 CE3 TRP A 22 2.670 3.916 -17.878 1.00 0.00 C ATOM 566 CZ2 TRP A 22 1.349 6.392 -17.593 1.00 0.00 C ATOM 567 CZ3 TRP A 22 1.518 4.189 -18.561 1.00 0.00 C ATOM 568 CH2 TRP A 22 0.867 5.420 -18.417 1.00 0.00 C ATOM 0 H TRP A 22 7.848 3.902 -15.336 1.00 0.00 H new ATOM 0 HA TRP A 22 5.267 4.045 -13.914 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.239 4.125 -16.696 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.976 2.927 -16.495 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.053 6.488 -14.867 1.00 0.00 H new ATOM 0 HE1 TRP A 22 3.002 7.812 -15.716 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.167 2.964 -17.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.846 7.342 -17.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.103 3.443 -19.223 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.040 5.604 -18.973 1.00 0.00 H new ATOM 579 N ARG A 23 4.687 1.528 -14.025 1.00 0.00 N ATOM 580 CA ARG A 23 4.457 0.093 -13.888 1.00 0.00 C ATOM 581 C ARG A 23 3.376 -0.328 -14.902 1.00 0.00 C ATOM 582 O ARG A 23 2.192 -0.025 -14.724 1.00 0.00 O ATOM 583 CB ARG A 23 4.025 -0.248 -12.426 1.00 0.00 C ATOM 584 CG ARG A 23 4.371 -1.686 -11.984 1.00 0.00 C ATOM 585 CD ARG A 23 5.883 -1.853 -11.762 1.00 0.00 C ATOM 586 NE ARG A 23 6.294 -3.258 -11.615 1.00 0.00 N ATOM 587 CZ ARG A 23 7.388 -3.666 -10.954 1.00 0.00 C ATOM 588 NH1 ARG A 23 8.117 -2.810 -10.239 1.00 0.00 N ATOM 589 NH2 ARG A 23 7.751 -4.932 -11.010 1.00 0.00 N ATOM 0 H ARG A 23 3.868 2.100 -13.819 1.00 0.00 H new ATOM 0 HA ARG A 23 5.375 -0.457 -14.094 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.504 0.455 -11.744 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.949 -0.100 -12.333 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.838 -1.924 -11.064 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.032 -2.393 -12.741 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.418 -1.410 -12.602 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.176 -1.300 -10.870 1.00 0.00 H new ATOM 0 HE ARG A 23 5.706 -3.972 -12.046 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.846 -1.828 -10.188 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.946 -3.137 -9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.201 -5.597 -11.554 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.582 -5.247 -10.509 1.00 0.00 H new ATOM 603 N VAL A 24 3.812 -1.002 -15.978 1.00 0.00 N ATOM 604 CA VAL A 24 2.921 -1.663 -16.954 1.00 0.00 C ATOM 605 C VAL A 24 3.185 -3.171 -16.888 1.00 0.00 C ATOM 606 O VAL A 24 4.128 -3.604 -16.219 1.00 0.00 O ATOM 607 CB VAL A 24 3.141 -1.141 -18.432 1.00 0.00 C ATOM 608 CG1 VAL A 24 2.845 0.375 -18.553 1.00 0.00 C ATOM 609 CG2 VAL A 24 4.564 -1.482 -18.947 1.00 0.00 C ATOM 0 H VAL A 24 4.802 -1.106 -16.200 1.00 0.00 H new ATOM 0 HA VAL A 24 1.889 -1.429 -16.694 1.00 0.00 H new ATOM 0 HB VAL A 24 2.427 -1.663 -19.069 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.007 0.696 -19.582 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.810 0.567 -18.272 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.510 0.930 -17.891 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.682 -1.109 -19.965 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.307 -1.014 -18.301 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.705 -2.563 -18.938 1.00 0.00 H new ATOM 619 N ASP A 25 2.369 -3.968 -17.583 1.00 0.00 N ATOM 620 CA ASP A 25 2.564 -5.430 -17.645 1.00 0.00 C ATOM 621 C ASP A 25 3.812 -5.763 -18.490 1.00 0.00 C ATOM 622 O ASP A 25 4.233 -4.947 -19.314 1.00 0.00 O ATOM 623 CB ASP A 25 1.296 -6.112 -18.212 1.00 0.00 C ATOM 624 CG ASP A 25 1.313 -7.635 -18.027 1.00 0.00 C ATOM 625 OD1 ASP A 25 0.967 -8.109 -16.920 1.00 0.00 O ATOM 626 OD2 ASP A 25 1.675 -8.359 -18.977 1.00 0.00 O ATOM 0 H ASP A 25 1.565 -3.631 -18.113 1.00 0.00 H new ATOM 0 HA ASP A 25 2.729 -5.815 -16.639 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.415 -5.700 -17.720 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.206 -5.879 -19.273 1.00 0.00 H new ATOM 631 N ASP A 26 4.402 -6.961 -18.281 1.00 0.00 N ATOM 632 CA ASP A 26 5.645 -7.384 -18.975 1.00 0.00 C ATOM 633 C ASP A 26 5.429 -7.505 -20.498 1.00 0.00 C ATOM 634 O ASP A 26 6.362 -7.318 -21.284 1.00 0.00 O ATOM 635 CB ASP A 26 6.181 -8.735 -18.409 1.00 0.00 C ATOM 636 CG ASP A 26 5.381 -9.979 -18.866 1.00 0.00 C ATOM 637 OD1 ASP A 26 4.323 -10.271 -18.279 1.00 0.00 O ATOM 638 OD2 ASP A 26 5.813 -10.673 -19.818 1.00 0.00 O ATOM 0 H ASP A 26 4.036 -7.658 -17.633 1.00 0.00 H new ATOM 0 HA ASP A 26 6.389 -6.609 -18.791 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.221 -8.855 -18.712 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.169 -8.690 -17.320 1.00 0.00 H new ATOM 643 N ASP A 27 4.173 -7.796 -20.880 1.00 0.00 N ATOM 644 CA ASP A 27 3.778 -8.029 -22.285 1.00 0.00 C ATOM 645 C ASP A 27 3.568 -6.680 -23.006 1.00 0.00 C ATOM 646 O ASP A 27 3.715 -6.595 -24.237 1.00 0.00 O ATOM 647 CB ASP A 27 2.459 -8.866 -22.302 1.00 0.00 C ATOM 648 CG ASP A 27 1.965 -9.251 -23.712 1.00 0.00 C ATOM 649 OD1 ASP A 27 2.367 -10.315 -24.225 1.00 0.00 O ATOM 650 OD2 ASP A 27 1.152 -8.502 -24.300 1.00 0.00 O ATOM 0 H ASP A 27 3.398 -7.877 -20.222 1.00 0.00 H new ATOM 0 HA ASP A 27 4.564 -8.575 -22.806 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.614 -9.777 -21.724 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.676 -8.298 -21.799 1.00 0.00 H new ATOM 655 N ALA A 28 3.278 -5.632 -22.216 1.00 0.00 N ATOM 656 CA ALA A 28 3.035 -4.272 -22.721 1.00 0.00 C ATOM 657 C ALA A 28 4.317 -3.686 -23.334 1.00 0.00 C ATOM 658 O ALA A 28 5.373 -3.722 -22.714 1.00 0.00 O ATOM 659 CB ALA A 28 2.523 -3.378 -21.581 1.00 0.00 C ATOM 0 H ALA A 28 3.205 -5.707 -21.201 1.00 0.00 H new ATOM 0 HA ALA A 28 2.277 -4.316 -23.503 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.344 -2.372 -21.960 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.593 -3.788 -21.187 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.268 -3.340 -20.786 1.00 0.00 H new ATOM 665 N THR A 29 4.212 -3.160 -24.559 1.00 0.00 N ATOM 666 CA THR A 29 5.362 -2.588 -25.296 1.00 0.00 C ATOM 667 C THR A 29 5.224 -1.053 -25.422 1.00 0.00 C ATOM 668 O THR A 29 4.262 -0.483 -24.903 1.00 0.00 O ATOM 669 CB THR A 29 5.521 -3.277 -26.682 1.00 0.00 C ATOM 670 OG1 THR A 29 4.269 -3.281 -27.368 1.00 0.00 O ATOM 671 CG2 THR A 29 6.020 -4.723 -26.558 1.00 0.00 C ATOM 0 H THR A 29 3.332 -3.115 -25.073 1.00 0.00 H new ATOM 0 HA THR A 29 6.273 -2.783 -24.730 1.00 0.00 H new ATOM 0 HB THR A 29 6.264 -2.707 -27.240 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.304 -2.649 -28.117 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.115 -5.162 -27.551 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.991 -4.732 -26.063 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.309 -5.304 -25.971 1.00 0.00 H new ATOM 679 N VAL A 30 6.216 -0.400 -26.095 1.00 0.00 N ATOM 680 CA VAL A 30 6.336 1.090 -26.184 1.00 0.00 C ATOM 681 C VAL A 30 5.020 1.749 -26.652 1.00 0.00 C ATOM 682 O VAL A 30 4.637 2.807 -26.143 1.00 0.00 O ATOM 683 CB VAL A 30 7.552 1.513 -27.113 1.00 0.00 C ATOM 684 CG1 VAL A 30 7.518 3.015 -27.511 1.00 0.00 C ATOM 685 CG2 VAL A 30 8.908 1.172 -26.449 1.00 0.00 C ATOM 0 H VAL A 30 6.958 -0.892 -26.593 1.00 0.00 H new ATOM 0 HA VAL A 30 6.538 1.457 -25.178 1.00 0.00 H new ATOM 0 HB VAL A 30 7.445 0.933 -28.030 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.374 3.243 -28.146 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.597 3.227 -28.054 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.559 3.631 -26.612 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.722 1.473 -27.108 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.993 1.704 -25.501 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.965 0.099 -26.269 1.00 0.00 H new ATOM 695 N GLY A 31 4.316 1.059 -27.554 1.00 0.00 N ATOM 696 CA GLY A 31 3.032 1.518 -28.070 1.00 0.00 C ATOM 697 C GLY A 31 1.922 1.563 -27.023 1.00 0.00 C ATOM 698 O GLY A 31 1.138 2.510 -26.994 1.00 0.00 O ATOM 0 H GLY A 31 4.623 0.168 -27.944 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.158 2.514 -28.494 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.723 0.862 -28.884 1.00 0.00 H new ATOM 702 N ASP A 32 1.856 0.527 -26.168 1.00 0.00 N ATOM 703 CA ASP A 32 0.895 0.464 -25.041 1.00 0.00 C ATOM 704 C ASP A 32 1.217 1.539 -23.989 1.00 0.00 C ATOM 705 O ASP A 32 0.310 2.125 -23.387 1.00 0.00 O ATOM 706 CB ASP A 32 0.902 -0.936 -24.379 1.00 0.00 C ATOM 707 CG ASP A 32 -0.048 -1.025 -23.163 1.00 0.00 C ATOM 708 OD1 ASP A 32 -1.254 -1.278 -23.355 1.00 0.00 O ATOM 709 OD2 ASP A 32 0.408 -0.836 -22.008 1.00 0.00 O ATOM 0 H ASP A 32 2.463 -0.290 -26.234 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.099 0.652 -25.446 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.612 -1.684 -25.117 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.916 -1.178 -24.061 1.00 0.00 H new ATOM 714 N VAL A 33 2.516 1.770 -23.780 1.00 0.00 N ATOM 715 CA VAL A 33 3.023 2.786 -22.854 1.00 0.00 C ATOM 716 C VAL A 33 2.495 4.179 -23.239 1.00 0.00 C ATOM 717 O VAL A 33 1.761 4.783 -22.454 1.00 0.00 O ATOM 718 CB VAL A 33 4.594 2.731 -22.798 1.00 0.00 C ATOM 719 CG1 VAL A 33 5.208 3.937 -22.062 1.00 0.00 C ATOM 720 CG2 VAL A 33 5.058 1.402 -22.152 1.00 0.00 C ATOM 0 H VAL A 33 3.254 1.250 -24.255 1.00 0.00 H new ATOM 0 HA VAL A 33 2.656 2.576 -21.849 1.00 0.00 H new ATOM 0 HB VAL A 33 4.954 2.779 -23.826 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.294 3.845 -22.055 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.925 4.857 -22.573 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.839 3.964 -21.037 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.147 1.375 -22.118 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.662 1.332 -21.139 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.692 0.563 -22.743 1.00 0.00 H new ATOM 730 N LEU A 34 2.798 4.649 -24.467 1.00 0.00 N ATOM 731 CA LEU A 34 2.314 5.966 -24.941 1.00 0.00 C ATOM 732 C LEU A 34 0.771 5.983 -25.094 1.00 0.00 C ATOM 733 O LEU A 34 0.140 7.018 -24.874 1.00 0.00 O ATOM 734 CB LEU A 34 3.086 6.456 -26.219 1.00 0.00 C ATOM 735 CG LEU A 34 3.328 5.444 -27.388 1.00 0.00 C ATOM 736 CD1 LEU A 34 2.090 5.253 -28.272 1.00 0.00 C ATOM 737 CD2 LEU A 34 4.554 5.859 -28.239 1.00 0.00 C ATOM 0 H LEU A 34 3.370 4.143 -25.144 1.00 0.00 H new ATOM 0 HA LEU A 34 2.544 6.703 -24.171 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.542 7.308 -26.627 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.059 6.825 -25.895 1.00 0.00 H new ATOM 0 HG LEU A 34 3.536 4.479 -26.925 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.316 4.541 -29.066 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.266 4.873 -27.667 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.806 6.209 -28.712 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.699 5.138 -29.044 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.384 6.848 -28.664 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.443 5.883 -27.609 1.00 0.00 H new ATOM 749 N ARG A 35 0.166 4.822 -25.415 1.00 0.00 N ATOM 750 CA ARG A 35 -1.309 4.659 -25.404 1.00 0.00 C ATOM 751 C ARG A 35 -1.892 5.061 -24.034 1.00 0.00 C ATOM 752 O ARG A 35 -2.849 5.822 -23.951 1.00 0.00 O ATOM 753 CB ARG A 35 -1.695 3.193 -25.805 1.00 0.00 C ATOM 754 CG ARG A 35 -3.128 2.693 -25.449 1.00 0.00 C ATOM 755 CD ARG A 35 -4.246 3.657 -25.877 1.00 0.00 C ATOM 756 NE ARG A 35 -5.593 3.115 -25.605 1.00 0.00 N ATOM 757 CZ ARG A 35 -6.607 3.786 -25.025 1.00 0.00 C ATOM 758 NH1 ARG A 35 -6.438 5.021 -24.555 1.00 0.00 N ATOM 759 NH2 ARG A 35 -7.788 3.206 -24.889 1.00 0.00 N ATOM 0 H ARG A 35 0.674 3.980 -25.686 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.747 5.328 -26.145 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.565 3.096 -26.883 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.979 2.518 -25.336 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.294 1.726 -25.924 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.190 2.534 -24.372 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.126 4.604 -25.351 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.151 3.869 -26.942 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.771 2.149 -25.880 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.528 5.475 -24.631 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.219 5.512 -24.119 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.929 2.253 -25.223 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.557 3.712 -24.450 1.00 0.00 H new ATOM 773 N SER A 36 -1.290 4.553 -22.984 1.00 0.00 N ATOM 774 CA SER A 36 -1.716 4.818 -21.617 1.00 0.00 C ATOM 775 C SER A 36 -1.304 6.241 -21.148 1.00 0.00 C ATOM 776 O SER A 36 -2.006 6.853 -20.338 1.00 0.00 O ATOM 777 CB SER A 36 -1.172 3.709 -20.718 1.00 0.00 C ATOM 778 OG SER A 36 -1.616 2.431 -21.147 1.00 0.00 O ATOM 0 H SER A 36 -0.480 3.936 -23.049 1.00 0.00 H new ATOM 0 HA SER A 36 -2.804 4.809 -21.559 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.082 3.737 -20.721 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.492 3.881 -19.690 1.00 0.00 H new ATOM 0 HG SER A 36 -1.071 2.133 -21.905 1.00 0.00 H new ATOM 784 N LEU A 37 -0.153 6.748 -21.644 1.00 0.00 N ATOM 785 CA LEU A 37 0.382 8.094 -21.277 1.00 0.00 C ATOM 786 C LEU A 37 -0.616 9.233 -21.576 1.00 0.00 C ATOM 787 O LEU A 37 -0.717 10.179 -20.791 1.00 0.00 O ATOM 788 CB LEU A 37 1.757 8.381 -21.980 1.00 0.00 C ATOM 789 CG LEU A 37 3.035 8.248 -21.091 1.00 0.00 C ATOM 790 CD1 LEU A 37 2.957 9.151 -19.840 1.00 0.00 C ATOM 791 CD2 LEU A 37 3.312 6.795 -20.707 1.00 0.00 C ATOM 0 H LEU A 37 0.435 6.244 -22.308 1.00 0.00 H new ATOM 0 HA LEU A 37 0.539 8.070 -20.199 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.857 7.700 -22.825 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.728 9.392 -22.387 1.00 0.00 H new ATOM 0 HG LEU A 37 3.876 8.592 -21.693 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.864 9.031 -19.247 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.861 10.192 -20.148 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.092 8.868 -19.241 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.209 6.747 -20.089 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.464 6.398 -20.148 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.461 6.202 -21.610 1.00 0.00 H new ATOM 803 N GLU A 38 -1.333 9.148 -22.711 1.00 0.00 N ATOM 804 CA GLU A 38 -2.324 10.184 -23.095 1.00 0.00 C ATOM 805 C GLU A 38 -3.593 10.099 -22.236 1.00 0.00 C ATOM 806 O GLU A 38 -4.264 11.110 -22.001 1.00 0.00 O ATOM 807 CB GLU A 38 -2.658 10.101 -24.605 1.00 0.00 C ATOM 808 CG GLU A 38 -3.173 8.738 -25.146 1.00 0.00 C ATOM 809 CD GLU A 38 -4.684 8.493 -24.930 1.00 0.00 C ATOM 810 OE1 GLU A 38 -5.496 9.324 -25.381 1.00 0.00 O ATOM 811 OE2 GLU A 38 -5.068 7.490 -24.302 1.00 0.00 O ATOM 0 H GLU A 38 -1.250 8.381 -23.378 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.872 11.158 -22.906 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.410 10.858 -24.826 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.762 10.369 -25.164 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.957 8.680 -26.213 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.615 7.936 -24.664 1.00 0.00 H new ATOM 818 N ALA A 39 -3.900 8.876 -21.780 1.00 0.00 N ATOM 819 CA ALA A 39 -5.041 8.601 -20.889 1.00 0.00 C ATOM 820 C ALA A 39 -4.862 9.300 -19.526 1.00 0.00 C ATOM 821 O ALA A 39 -5.835 9.536 -18.802 1.00 0.00 O ATOM 822 CB ALA A 39 -5.195 7.084 -20.716 1.00 0.00 C ATOM 0 H ALA A 39 -3.361 8.043 -22.019 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.949 9.002 -21.339 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.038 6.877 -20.057 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.372 6.623 -21.688 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.284 6.673 -20.280 1.00 0.00 H new ATOM 828 N GLU A 40 -3.600 9.614 -19.185 1.00 0.00 N ATOM 829 CA GLU A 40 -3.253 10.376 -17.982 1.00 0.00 C ATOM 830 C GLU A 40 -3.169 11.871 -18.320 1.00 0.00 C ATOM 831 O GLU A 40 -3.855 12.711 -17.729 1.00 0.00 O ATOM 832 CB GLU A 40 -1.885 9.907 -17.433 1.00 0.00 C ATOM 833 CG GLU A 40 -1.705 8.389 -17.335 1.00 0.00 C ATOM 834 CD GLU A 40 -2.635 7.701 -16.320 1.00 0.00 C ATOM 835 OE1 GLU A 40 -3.755 7.293 -16.692 1.00 0.00 O ATOM 836 OE2 GLU A 40 -2.245 7.557 -15.145 1.00 0.00 O ATOM 0 H GLU A 40 -2.790 9.343 -19.743 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.024 10.210 -17.229 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.099 10.309 -18.072 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.743 10.338 -16.442 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.874 7.951 -18.319 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.671 8.175 -17.065 1.00 0.00 H new ATOM 843 N TYR A 41 -2.287 12.179 -19.286 1.00 0.00 N ATOM 844 CA TYR A 41 -1.883 13.547 -19.609 1.00 0.00 C ATOM 845 C TYR A 41 -2.641 14.068 -20.844 1.00 0.00 C ATOM 846 O TYR A 41 -2.492 13.528 -21.948 1.00 0.00 O ATOM 847 CB TYR A 41 -0.355 13.614 -19.857 1.00 0.00 C ATOM 848 CG TYR A 41 0.493 13.273 -18.618 1.00 0.00 C ATOM 849 CD1 TYR A 41 0.791 14.245 -17.655 1.00 0.00 C ATOM 850 CD2 TYR A 41 1.000 11.985 -18.414 1.00 0.00 C ATOM 851 CE1 TYR A 41 1.557 13.942 -16.541 1.00 0.00 C ATOM 852 CE2 TYR A 41 1.767 11.683 -17.301 1.00 0.00 C ATOM 853 CZ TYR A 41 2.041 12.664 -16.370 1.00 0.00 C ATOM 854 OH TYR A 41 2.804 12.368 -15.259 1.00 0.00 O ATOM 0 H TYR A 41 -1.833 11.474 -19.867 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.133 14.182 -18.759 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.097 12.926 -20.662 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.096 14.616 -20.198 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.417 15.250 -17.783 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.789 11.212 -19.138 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.774 14.706 -15.809 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.150 10.683 -17.162 1.00 0.00 H new ATOM 0 HH TYR A 41 3.068 11.424 -15.285 1.00 0.00 H new ATOM 864 N ASP A 42 -3.440 15.117 -20.632 1.00 0.00 N ATOM 865 CA ASP A 42 -4.186 15.816 -21.696 1.00 0.00 C ATOM 866 C ASP A 42 -3.226 16.466 -22.709 1.00 0.00 C ATOM 867 O ASP A 42 -3.510 16.517 -23.908 1.00 0.00 O ATOM 868 CB ASP A 42 -5.100 16.903 -21.082 1.00 0.00 C ATOM 869 CG ASP A 42 -6.076 16.349 -20.033 1.00 0.00 C ATOM 870 OD1 ASP A 42 -5.706 16.290 -18.838 1.00 0.00 O ATOM 871 OD2 ASP A 42 -7.212 15.970 -20.397 1.00 0.00 O ATOM 0 H ASP A 42 -3.593 15.515 -19.705 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.796 15.078 -22.217 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.480 17.673 -20.622 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.667 17.384 -21.879 1.00 0.00 H new ATOM 876 N GLY A 43 -2.075 16.938 -22.197 1.00 0.00 N ATOM 877 CA GLY A 43 -1.037 17.563 -23.024 1.00 0.00 C ATOM 878 C GLY A 43 -0.293 16.579 -23.923 1.00 0.00 C ATOM 879 O GLY A 43 0.531 17.003 -24.727 1.00 0.00 O ATOM 0 H GLY A 43 -1.843 16.896 -21.205 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.494 18.334 -23.644 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.318 18.062 -22.374 1.00 0.00 H new ATOM 883 N LEU A 44 -0.534 15.262 -23.732 1.00 0.00 N ATOM 884 CA LEU A 44 0.019 14.191 -24.588 1.00 0.00 C ATOM 885 C LEU A 44 -1.054 13.603 -25.519 1.00 0.00 C ATOM 886 O LEU A 44 -0.710 12.839 -26.421 1.00 0.00 O ATOM 887 CB LEU A 44 0.637 13.057 -23.715 1.00 0.00 C ATOM 888 CG LEU A 44 1.944 13.400 -22.943 1.00 0.00 C ATOM 889 CD1 LEU A 44 2.485 12.190 -22.153 1.00 0.00 C ATOM 890 CD2 LEU A 44 3.020 13.972 -23.885 1.00 0.00 C ATOM 0 H LEU A 44 -1.121 14.912 -22.975 1.00 0.00 H new ATOM 0 HA LEU A 44 0.800 14.636 -25.205 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.113 12.739 -22.990 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.838 12.202 -24.361 1.00 0.00 H new ATOM 0 HG LEU A 44 1.689 14.172 -22.217 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.398 12.476 -21.630 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.738 11.865 -21.429 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.702 11.373 -22.842 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.920 14.201 -23.314 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.256 13.238 -24.656 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.647 14.883 -24.354 1.00 0.00 H new ATOM 902 N ALA A 45 -2.338 13.966 -25.310 1.00 0.00 N ATOM 903 CA ALA A 45 -3.478 13.373 -26.050 1.00 0.00 C ATOM 904 C ALA A 45 -3.347 13.580 -27.574 1.00 0.00 C ATOM 905 O ALA A 45 -3.216 14.715 -28.044 1.00 0.00 O ATOM 906 CB ALA A 45 -4.803 13.960 -25.538 1.00 0.00 C ATOM 0 H ALA A 45 -2.614 14.673 -24.629 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.468 12.298 -25.868 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.634 13.518 -26.088 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.913 13.739 -24.476 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.804 15.040 -25.686 1.00 0.00 H new ATOM 912 N GLY A 46 -3.324 12.457 -28.324 1.00 0.00 N ATOM 913 CA GLY A 46 -3.334 12.469 -29.792 1.00 0.00 C ATOM 914 C GLY A 46 -1.948 12.555 -30.440 1.00 0.00 C ATOM 915 O GLY A 46 -1.718 11.965 -31.492 1.00 0.00 O ATOM 0 H GLY A 46 -3.298 11.520 -27.923 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.830 11.565 -30.146 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.932 13.315 -30.131 1.00 0.00 H new ATOM 919 N ARG A 47 -1.018 13.270 -29.792 1.00 0.00 N ATOM 920 CA ARG A 47 0.291 13.653 -30.391 1.00 0.00 C ATOM 921 C ARG A 47 1.373 12.569 -30.221 1.00 0.00 C ATOM 922 O ARG A 47 2.522 12.759 -30.643 1.00 0.00 O ATOM 923 CB ARG A 47 0.747 14.986 -29.752 1.00 0.00 C ATOM 924 CG ARG A 47 1.089 14.888 -28.259 1.00 0.00 C ATOM 925 CD ARG A 47 1.126 16.247 -27.563 1.00 0.00 C ATOM 926 NE ARG A 47 1.966 17.242 -28.247 1.00 0.00 N ATOM 927 CZ ARG A 47 2.048 18.535 -27.898 1.00 0.00 C ATOM 928 NH1 ARG A 47 1.425 18.981 -26.814 1.00 0.00 N ATOM 929 NH2 ARG A 47 2.757 19.374 -28.630 1.00 0.00 N ATOM 0 H ARG A 47 -1.141 13.605 -28.836 1.00 0.00 H new ATOM 0 HA ARG A 47 0.154 13.768 -31.466 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.622 15.352 -30.290 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.042 15.727 -29.884 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.354 14.253 -27.765 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.058 14.402 -28.145 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.110 16.634 -27.487 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.493 16.114 -26.545 1.00 0.00 H new ATOM 0 HE ARG A 47 2.524 16.928 -29.041 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.879 18.339 -26.239 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.492 19.965 -26.556 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.243 19.040 -29.462 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.819 20.357 -28.364 1.00 0.00 H new ATOM 943 N LEU A 48 0.990 11.435 -29.625 1.00 0.00 N ATOM 944 CA LEU A 48 1.899 10.302 -29.336 1.00 0.00 C ATOM 945 C LEU A 48 1.382 8.998 -29.981 1.00 0.00 C ATOM 946 O LEU A 48 2.054 7.969 -29.922 1.00 0.00 O ATOM 947 CB LEU A 48 2.091 10.149 -27.791 1.00 0.00 C ATOM 948 CG LEU A 48 0.948 9.506 -26.921 1.00 0.00 C ATOM 949 CD1 LEU A 48 1.178 9.806 -25.422 1.00 0.00 C ATOM 950 CD2 LEU A 48 -0.475 9.900 -27.364 1.00 0.00 C ATOM 0 H LEU A 48 0.030 11.268 -29.323 1.00 0.00 H new ATOM 0 HA LEU A 48 2.873 10.511 -29.778 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.992 9.557 -27.632 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.287 11.143 -27.388 1.00 0.00 H new ATOM 0 HG LEU A 48 1.008 8.430 -27.083 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.379 9.355 -24.834 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.137 9.391 -25.111 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.181 10.884 -25.263 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.205 9.416 -26.715 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.590 10.982 -27.297 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.637 9.581 -28.394 1.00 0.00 H new ATOM 962 N ILE A 49 0.163 9.061 -30.579 1.00 0.00 N ATOM 963 CA ILE A 49 -0.436 7.967 -31.385 1.00 0.00 C ATOM 964 C ILE A 49 -0.975 8.557 -32.700 1.00 0.00 C ATOM 965 O ILE A 49 -1.718 9.541 -32.677 1.00 0.00 O ATOM 966 CB ILE A 49 -1.610 7.204 -30.646 1.00 0.00 C ATOM 967 CG1 ILE A 49 -1.077 6.374 -29.450 1.00 0.00 C ATOM 968 CG2 ILE A 49 -2.417 6.291 -31.628 1.00 0.00 C ATOM 969 CD1 ILE A 49 -2.121 5.525 -28.747 1.00 0.00 C ATOM 0 H ILE A 49 -0.437 9.883 -30.513 1.00 0.00 H new ATOM 0 HA ILE A 49 0.353 7.236 -31.563 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.290 7.964 -30.261 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.279 5.722 -29.805 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.633 7.054 -28.723 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.214 5.785 -31.083 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.851 6.902 -32.420 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.750 5.549 -32.067 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.655 4.981 -27.925 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.909 6.168 -28.356 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.549 4.815 -29.455 1.00 0.00 H new ATOM 981 N GLU A 50 -0.595 7.960 -33.837 1.00 0.00 N ATOM 982 CA GLU A 50 -1.213 8.251 -35.144 1.00 0.00 C ATOM 983 C GLU A 50 -1.609 6.939 -35.833 1.00 0.00 C ATOM 984 O GLU A 50 -0.733 6.154 -36.182 1.00 0.00 O ATOM 985 CB GLU A 50 -0.247 9.049 -36.052 1.00 0.00 C ATOM 986 CG GLU A 50 -0.858 9.550 -37.380 1.00 0.00 C ATOM 987 CD GLU A 50 -2.063 10.487 -37.174 1.00 0.00 C ATOM 988 OE1 GLU A 50 -1.854 11.672 -36.836 1.00 0.00 O ATOM 989 OE2 GLU A 50 -3.218 10.049 -37.337 1.00 0.00 O ATOM 0 H GLU A 50 0.148 7.262 -33.880 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.102 8.859 -34.975 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.124 9.909 -35.494 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.614 8.421 -36.280 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.091 10.074 -37.951 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.170 8.692 -37.976 1.00 0.00 H new ATOM 996 N ASP A 51 -2.931 6.712 -35.991 1.00 0.00 N ATOM 997 CA ASP A 51 -3.491 5.586 -36.790 1.00 0.00 C ATOM 998 C ASP A 51 -3.012 4.196 -36.267 1.00 0.00 C ATOM 999 O ASP A 51 -2.920 3.214 -37.012 1.00 0.00 O ATOM 1000 CB ASP A 51 -3.134 5.827 -38.298 1.00 0.00 C ATOM 1001 CG ASP A 51 -3.755 4.821 -39.285 1.00 0.00 C ATOM 1002 OD1 ASP A 51 -4.991 4.855 -39.480 1.00 0.00 O ATOM 1003 OD2 ASP A 51 -3.009 4.022 -39.889 1.00 0.00 O ATOM 0 H ASP A 51 -3.647 7.303 -35.569 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.575 5.564 -36.683 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.456 6.831 -38.576 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.050 5.798 -38.408 1.00 0.00 H new ATOM 1008 N GLY A 52 -2.766 4.112 -34.953 1.00 0.00 N ATOM 1009 CA GLY A 52 -2.362 2.856 -34.311 1.00 0.00 C ATOM 1010 C GLY A 52 -0.851 2.636 -34.251 1.00 0.00 C ATOM 1011 O GLY A 52 -0.407 1.691 -33.599 1.00 0.00 O ATOM 0 H GLY A 52 -2.840 4.902 -34.313 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.761 2.836 -33.297 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.817 2.024 -34.849 1.00 0.00 H new ATOM 1015 N GLU A 53 -0.059 3.470 -34.957 1.00 0.00 N ATOM 1016 CA GLU A 53 1.419 3.519 -34.781 1.00 0.00 C ATOM 1017 C GLU A 53 1.791 4.725 -33.899 1.00 0.00 C ATOM 1018 O GLU A 53 0.896 5.394 -33.366 1.00 0.00 O ATOM 1019 CB GLU A 53 2.180 3.601 -36.133 1.00 0.00 C ATOM 1020 CG GLU A 53 1.884 4.872 -36.958 1.00 0.00 C ATOM 1021 CD GLU A 53 3.063 5.345 -37.820 1.00 0.00 C ATOM 1022 OE1 GLU A 53 3.187 4.901 -38.984 1.00 0.00 O ATOM 1023 OE2 GLU A 53 3.860 6.185 -37.327 1.00 0.00 O ATOM 0 H GLU A 53 -0.413 4.122 -35.657 1.00 0.00 H new ATOM 0 HA GLU A 53 1.721 2.589 -34.300 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.251 3.552 -35.936 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.926 2.727 -36.732 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.028 4.682 -37.605 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.598 5.675 -36.279 1.00 0.00 H new ATOM 1030 N VAL A 54 3.107 4.993 -33.724 1.00 0.00 N ATOM 1031 CA VAL A 54 3.567 6.049 -32.798 1.00 0.00 C ATOM 1032 C VAL A 54 3.173 7.479 -33.294 1.00 0.00 C ATOM 1033 O VAL A 54 2.393 8.115 -32.620 1.00 0.00 O ATOM 1034 CB VAL A 54 5.122 5.939 -32.521 1.00 0.00 C ATOM 1035 CG1 VAL A 54 5.443 4.664 -31.698 1.00 0.00 C ATOM 1036 CG2 VAL A 54 5.951 5.959 -33.836 1.00 0.00 C ATOM 0 H VAL A 54 3.858 4.499 -34.206 1.00 0.00 H new ATOM 0 HA VAL A 54 3.051 5.889 -31.851 1.00 0.00 H new ATOM 0 HB VAL A 54 5.409 6.816 -31.940 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.517 4.607 -31.519 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.917 4.705 -30.744 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.121 3.782 -32.252 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.012 5.881 -33.598 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.657 5.118 -34.464 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.766 6.892 -34.369 1.00 0.00 H new ATOM 1046 N LYS A 55 3.585 7.887 -34.531 1.00 0.00 N ATOM 1047 CA LYS A 55 3.354 9.257 -35.108 1.00 0.00 C ATOM 1048 C LYS A 55 4.492 9.583 -36.090 1.00 0.00 C ATOM 1049 O LYS A 55 5.654 9.261 -35.815 1.00 0.00 O ATOM 1050 CB LYS A 55 3.265 10.398 -34.016 1.00 0.00 C ATOM 1051 CG LYS A 55 3.091 11.867 -34.493 1.00 0.00 C ATOM 1052 CD LYS A 55 1.638 12.211 -34.909 1.00 0.00 C ATOM 1053 CE LYS A 55 0.621 11.980 -33.780 1.00 0.00 C ATOM 1054 NZ LYS A 55 -0.765 12.320 -34.184 1.00 0.00 N ATOM 0 H LYS A 55 4.093 7.271 -35.166 1.00 0.00 H new ATOM 0 HA LYS A 55 2.387 9.231 -35.611 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.430 10.162 -33.357 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.171 10.350 -33.412 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.401 12.540 -33.694 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.755 12.048 -35.338 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.593 13.254 -35.224 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.359 11.605 -35.771 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.659 10.936 -33.469 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.901 12.581 -32.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.420 12.083 -33.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.827 13.337 -34.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.022 11.778 -35.034 1.00 0.00 H new ATOM 1068 N PRO A 56 4.175 10.213 -37.259 1.00 0.00 N ATOM 1069 CA PRO A 56 5.192 10.825 -38.153 1.00 0.00 C ATOM 1070 C PRO A 56 5.995 11.935 -37.433 1.00 0.00 C ATOM 1071 O PRO A 56 5.410 12.762 -36.719 1.00 0.00 O ATOM 1072 CB PRO A 56 4.334 11.421 -39.309 1.00 0.00 C ATOM 1073 CG PRO A 56 2.956 11.541 -38.729 1.00 0.00 C ATOM 1074 CD PRO A 56 2.810 10.355 -37.826 1.00 0.00 C ATOM 0 HA PRO A 56 5.939 10.107 -38.492 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.716 12.391 -39.628 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.341 10.772 -40.184 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.840 12.474 -38.177 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.197 11.537 -39.511 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.064 10.525 -37.050 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.503 9.464 -38.373 1.00 0.00 H new ATOM 1082 N HIS A 57 7.330 11.904 -37.598 1.00 0.00 N ATOM 1083 CA HIS A 57 8.277 12.936 -37.092 1.00 0.00 C ATOM 1084 C HIS A 57 8.504 12.901 -35.565 1.00 0.00 C ATOM 1085 O HIS A 57 9.450 13.553 -35.087 1.00 0.00 O ATOM 1086 CB HIS A 57 7.906 14.381 -37.548 1.00 0.00 C ATOM 1087 CG HIS A 57 7.994 14.624 -39.038 1.00 0.00 C ATOM 1088 ND1 HIS A 57 8.853 15.548 -39.603 1.00 0.00 N ATOM 1089 CD2 HIS A 57 7.317 14.072 -40.076 1.00 0.00 C ATOM 1090 CE1 HIS A 57 8.697 15.554 -40.916 1.00 0.00 C ATOM 1091 NE2 HIS A 57 7.772 14.667 -41.227 1.00 0.00 N ATOM 0 H HIS A 57 7.799 11.148 -38.097 1.00 0.00 H new ATOM 0 HA HIS A 57 9.224 12.662 -37.557 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.890 14.600 -37.219 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.564 15.086 -37.041 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.559 13.305 -40.009 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.235 16.178 -41.614 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.447 14.457 -42.171 1.00 0.00 H new ATOM 1100 N VAL A 58 7.651 12.183 -34.793 1.00 0.00 N ATOM 1101 CA VAL A 58 7.859 12.030 -33.339 1.00 0.00 C ATOM 1102 C VAL A 58 9.119 11.194 -33.143 1.00 0.00 C ATOM 1103 O VAL A 58 9.346 10.249 -33.900 1.00 0.00 O ATOM 1104 CB VAL A 58 6.608 11.393 -32.589 1.00 0.00 C ATOM 1105 CG1 VAL A 58 6.582 9.844 -32.621 1.00 0.00 C ATOM 1106 CG2 VAL A 58 6.499 11.910 -31.136 1.00 0.00 C ATOM 0 H VAL A 58 6.823 11.707 -35.152 1.00 0.00 H new ATOM 0 HA VAL A 58 7.976 13.016 -32.890 1.00 0.00 H new ATOM 0 HB VAL A 58 5.734 11.725 -33.149 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.701 9.484 -32.090 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.547 9.502 -33.655 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.480 9.455 -32.140 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.634 11.456 -30.652 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.403 11.646 -30.587 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.383 12.994 -31.143 1.00 0.00 H new ATOM 1116 N ASN A 59 9.983 11.585 -32.212 1.00 0.00 N ATOM 1117 CA ASN A 59 11.224 10.855 -31.966 1.00 0.00 C ATOM 1118 C ASN A 59 11.093 10.117 -30.643 1.00 0.00 C ATOM 1119 O ASN A 59 11.203 10.706 -29.574 1.00 0.00 O ATOM 1120 CB ASN A 59 12.426 11.835 -31.972 1.00 0.00 C ATOM 1121 CG ASN A 59 12.643 12.565 -33.311 1.00 0.00 C ATOM 1122 OD1 ASN A 59 13.069 13.721 -33.337 1.00 0.00 O ATOM 1123 ND2 ASN A 59 12.381 11.894 -34.435 1.00 0.00 N ATOM 0 H ASN A 59 9.848 12.402 -31.616 1.00 0.00 H new ATOM 0 HA ASN A 59 11.406 10.125 -32.754 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.279 12.577 -31.187 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.332 11.282 -31.722 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.533 12.337 -35.341 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.029 10.938 -34.388 1.00 0.00 H new ATOM 1130 N VAL A 60 10.867 8.807 -30.734 1.00 0.00 N ATOM 1131 CA VAL A 60 10.667 7.933 -29.577 1.00 0.00 C ATOM 1132 C VAL A 60 11.734 6.842 -29.579 1.00 0.00 C ATOM 1133 O VAL A 60 12.111 6.344 -30.633 1.00 0.00 O ATOM 1134 CB VAL A 60 9.224 7.309 -29.538 1.00 0.00 C ATOM 1135 CG1 VAL A 60 8.179 8.351 -29.043 1.00 0.00 C ATOM 1136 CG2 VAL A 60 8.804 6.731 -30.919 1.00 0.00 C ATOM 0 H VAL A 60 10.817 8.315 -31.626 1.00 0.00 H new ATOM 0 HA VAL A 60 10.763 8.538 -28.675 1.00 0.00 H new ATOM 0 HB VAL A 60 9.252 6.482 -28.829 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.190 7.894 -29.025 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.443 8.683 -28.039 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.171 9.207 -29.718 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.801 6.310 -30.847 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.811 7.527 -31.664 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.505 5.951 -31.215 1.00 0.00 H new ATOM 1146 N LEU A 61 12.193 6.494 -28.376 1.00 0.00 N ATOM 1147 CA LEU A 61 13.413 5.715 -28.123 1.00 0.00 C ATOM 1148 C LEU A 61 13.102 4.546 -27.185 1.00 0.00 C ATOM 1149 O LEU A 61 12.019 4.459 -26.603 1.00 0.00 O ATOM 1150 CB LEU A 61 14.552 6.584 -27.501 1.00 0.00 C ATOM 1151 CG LEU A 61 15.243 7.663 -28.401 1.00 0.00 C ATOM 1152 CD1 LEU A 61 14.329 8.859 -28.696 1.00 0.00 C ATOM 1153 CD2 LEU A 61 16.584 8.134 -27.788 1.00 0.00 C ATOM 0 H LEU A 61 11.709 6.755 -27.517 1.00 0.00 H new ATOM 0 HA LEU A 61 13.762 5.344 -29.087 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.142 7.093 -26.628 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.327 5.907 -27.141 1.00 0.00 H new ATOM 0 HG LEU A 61 15.452 7.179 -29.355 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.859 9.576 -29.323 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.435 8.514 -29.215 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.043 9.338 -27.760 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.038 8.883 -28.437 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.402 8.568 -26.805 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.258 7.283 -27.689 1.00 0.00 H new ATOM 1165 N LYS A 62 14.104 3.684 -27.024 1.00 0.00 N ATOM 1166 CA LYS A 62 13.994 2.412 -26.312 1.00 0.00 C ATOM 1167 C LYS A 62 15.414 1.913 -26.031 1.00 0.00 C ATOM 1168 O LYS A 62 16.115 1.497 -26.963 1.00 0.00 O ATOM 1169 CB LYS A 62 13.201 1.423 -27.209 1.00 0.00 C ATOM 1170 CG LYS A 62 13.383 -0.072 -26.938 1.00 0.00 C ATOM 1171 CD LYS A 62 12.773 -0.541 -25.624 1.00 0.00 C ATOM 1172 CE LYS A 62 13.141 -1.997 -25.334 1.00 0.00 C ATOM 1173 NZ LYS A 62 14.610 -2.196 -25.216 1.00 0.00 N ATOM 0 H LYS A 62 15.039 3.855 -27.395 1.00 0.00 H new ATOM 0 HA LYS A 62 13.465 2.512 -25.364 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.141 1.656 -27.113 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.476 1.614 -28.246 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.936 -0.636 -27.756 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.448 -0.304 -26.936 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.122 0.094 -24.810 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.689 -0.438 -25.666 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.658 -2.314 -24.409 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.753 -2.633 -26.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.933 -2.848 -25.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.094 -1.282 -25.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.832 -2.597 -24.283 1.00 0.00 H new ATOM 1187 N ASN A 63 15.844 2.012 -24.759 1.00 0.00 N ATOM 1188 CA ASN A 63 17.234 1.699 -24.332 1.00 0.00 C ATOM 1189 C ASN A 63 18.247 2.567 -25.153 1.00 0.00 C ATOM 1190 O ASN A 63 19.356 2.137 -25.492 1.00 0.00 O ATOM 1191 CB ASN A 63 17.480 0.159 -24.480 1.00 0.00 C ATOM 1192 CG ASN A 63 18.741 -0.359 -23.775 1.00 0.00 C ATOM 1193 OD1 ASN A 63 19.829 -0.392 -24.353 1.00 0.00 O ATOM 1194 ND2 ASN A 63 18.592 -0.796 -22.530 1.00 0.00 N ATOM 0 H ASN A 63 15.242 2.311 -23.992 1.00 0.00 H new ATOM 0 HA ASN A 63 17.386 1.952 -23.283 1.00 0.00 H new ATOM 0 HB2 ASN A 63 16.615 -0.373 -24.085 1.00 0.00 H new ATOM 0 HB3 ASN A 63 17.547 -0.084 -25.540 1.00 0.00 H new ATOM 0 HD21 ASN A 63 19.392 -1.173 -22.023 1.00 0.00 H new ATOM 0 HD22 ASN A 63 17.677 -0.754 -22.081 1.00 0.00 H new ATOM 1201 N GLY A 64 17.821 3.816 -25.455 1.00 0.00 N ATOM 1202 CA GLY A 64 18.613 4.771 -26.250 1.00 0.00 C ATOM 1203 C GLY A 64 18.439 4.638 -27.769 1.00 0.00 C ATOM 1204 O GLY A 64 18.838 5.533 -28.522 1.00 0.00 O ATOM 0 H GLY A 64 16.919 4.185 -25.153 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.340 5.784 -25.954 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.667 4.640 -26.006 1.00 0.00 H new ATOM 1208 N ARG A 65 17.831 3.528 -28.220 1.00 0.00 N ATOM 1209 CA ARG A 65 17.635 3.238 -29.652 1.00 0.00 C ATOM 1210 C ARG A 65 16.283 3.807 -30.103 1.00 0.00 C ATOM 1211 O ARG A 65 15.236 3.392 -29.599 1.00 0.00 O ATOM 1212 CB ARG A 65 17.680 1.706 -29.911 1.00 0.00 C ATOM 1213 CG ARG A 65 17.832 1.310 -31.397 1.00 0.00 C ATOM 1214 CD ARG A 65 19.234 1.623 -31.955 1.00 0.00 C ATOM 1215 NE ARG A 65 19.427 1.112 -33.328 1.00 0.00 N ATOM 1216 CZ ARG A 65 20.600 1.072 -33.986 1.00 0.00 C ATOM 1217 NH1 ARG A 65 21.717 1.542 -33.428 1.00 0.00 N ATOM 1218 NH2 ARG A 65 20.647 0.570 -35.208 1.00 0.00 N ATOM 0 H ARG A 65 17.461 2.806 -27.602 1.00 0.00 H new ATOM 0 HA ARG A 65 18.438 3.705 -30.222 1.00 0.00 H new ATOM 0 HB2 ARG A 65 18.510 1.280 -29.348 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.766 1.258 -29.520 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.631 0.244 -31.507 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.084 1.838 -31.988 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.391 2.702 -31.947 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.988 1.186 -31.300 1.00 0.00 H new ATOM 0 HE ARG A 65 18.604 0.761 -33.817 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.690 1.939 -32.489 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.598 1.504 -33.940 1.00 0.00 H new ATOM 0 HH21 ARG A 65 19.797 0.216 -35.647 1.00 0.00 H new ATOM 0 HH22 ARG A 65 21.533 0.537 -35.712 1.00 0.00 H new ATOM 1232 N GLU A 66 16.317 4.757 -31.045 1.00 0.00 N ATOM 1233 CA GLU A 66 15.125 5.481 -31.499 1.00 0.00 C ATOM 1234 C GLU A 66 14.231 4.555 -32.360 1.00 0.00 C ATOM 1235 O GLU A 66 14.538 4.287 -33.527 1.00 0.00 O ATOM 1236 CB GLU A 66 15.552 6.764 -32.264 1.00 0.00 C ATOM 1237 CG GLU A 66 14.485 7.875 -32.337 1.00 0.00 C ATOM 1238 CD GLU A 66 14.943 9.081 -33.174 1.00 0.00 C ATOM 1239 OE1 GLU A 66 15.035 8.952 -34.403 1.00 0.00 O ATOM 1240 OE2 GLU A 66 15.233 10.149 -32.611 1.00 0.00 O ATOM 0 H GLU A 66 17.175 5.046 -31.515 1.00 0.00 H new ATOM 0 HA GLU A 66 14.531 5.790 -30.639 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.444 7.171 -31.788 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.832 6.485 -33.280 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.570 7.467 -32.765 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.244 8.209 -31.328 1.00 0.00 H new ATOM 1247 N VAL A 67 13.123 4.072 -31.752 1.00 0.00 N ATOM 1248 CA VAL A 67 12.218 3.060 -32.346 1.00 0.00 C ATOM 1249 C VAL A 67 11.424 3.536 -33.570 1.00 0.00 C ATOM 1250 O VAL A 67 10.645 2.759 -34.130 1.00 0.00 O ATOM 1251 CB VAL A 67 11.247 2.422 -31.291 1.00 0.00 C ATOM 1252 CG1 VAL A 67 12.013 1.494 -30.345 1.00 0.00 C ATOM 1253 CG2 VAL A 67 10.450 3.487 -30.505 1.00 0.00 C ATOM 0 H VAL A 67 12.829 4.377 -30.824 1.00 0.00 H new ATOM 0 HA VAL A 67 12.904 2.294 -32.706 1.00 0.00 H new ATOM 0 HB VAL A 67 10.516 1.829 -31.841 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.322 1.062 -29.621 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.483 0.696 -30.920 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.780 2.063 -29.820 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.793 2.994 -29.788 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.142 4.140 -29.974 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.852 4.079 -31.198 1.00 0.00 H new ATOM 1263 N VAL A 68 11.597 4.792 -33.980 1.00 0.00 N ATOM 1264 CA VAL A 68 11.033 5.277 -35.254 1.00 0.00 C ATOM 1265 C VAL A 68 11.731 4.589 -36.454 1.00 0.00 C ATOM 1266 O VAL A 68 11.128 4.427 -37.515 1.00 0.00 O ATOM 1267 CB VAL A 68 11.135 6.839 -35.370 1.00 0.00 C ATOM 1268 CG1 VAL A 68 10.595 7.498 -34.088 1.00 0.00 C ATOM 1269 CG2 VAL A 68 12.571 7.322 -35.681 1.00 0.00 C ATOM 0 H VAL A 68 12.119 5.494 -33.457 1.00 0.00 H new ATOM 0 HA VAL A 68 9.975 5.015 -35.272 1.00 0.00 H new ATOM 0 HB VAL A 68 10.520 7.145 -36.216 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.669 8.582 -34.177 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.552 7.216 -33.946 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.181 7.163 -33.232 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.582 8.410 -35.750 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.243 7.002 -34.885 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.901 6.895 -36.628 1.00 0.00 H new ATOM 1279 N HIS A 69 13.004 4.173 -36.244 1.00 0.00 N ATOM 1280 CA HIS A 69 13.830 3.486 -37.266 1.00 0.00 C ATOM 1281 C HIS A 69 13.501 1.974 -37.325 1.00 0.00 C ATOM 1282 O HIS A 69 13.863 1.285 -38.285 1.00 0.00 O ATOM 1283 CB HIS A 69 15.341 3.689 -36.960 1.00 0.00 C ATOM 1284 CG HIS A 69 15.751 5.130 -36.776 1.00 0.00 C ATOM 1285 ND1 HIS A 69 15.510 6.106 -37.717 1.00 0.00 N ATOM 1286 CD2 HIS A 69 16.366 5.758 -35.743 1.00 0.00 C ATOM 1287 CE1 HIS A 69 15.957 7.265 -37.278 1.00 0.00 C ATOM 1288 NE2 HIS A 69 16.479 7.085 -36.083 1.00 0.00 N ATOM 0 H HIS A 69 13.488 4.306 -35.356 1.00 0.00 H new ATOM 0 HA HIS A 69 13.598 3.924 -38.237 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.594 3.134 -36.057 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.925 3.259 -37.773 1.00 0.00 H new ATOM 0 HD2 HIS A 69 16.704 5.301 -34.825 1.00 0.00 H new ATOM 0 HE1 HIS A 69 15.904 8.204 -37.809 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.899 7.812 -35.504 1.00 0.00 H new ATOM 1297 N LEU A 70 12.828 1.473 -36.274 1.00 0.00 N ATOM 1298 CA LEU A 70 12.429 0.057 -36.138 1.00 0.00 C ATOM 1299 C LEU A 70 10.954 -0.018 -35.690 1.00 0.00 C ATOM 1300 O LEU A 70 10.148 0.848 -36.067 1.00 0.00 O ATOM 1301 CB LEU A 70 13.394 -0.700 -35.160 1.00 0.00 C ATOM 1302 CG LEU A 70 13.667 -0.043 -33.756 1.00 0.00 C ATOM 1303 CD1 LEU A 70 13.979 -1.098 -32.676 1.00 0.00 C ATOM 1304 CD2 LEU A 70 14.817 0.992 -33.827 1.00 0.00 C ATOM 0 H LEU A 70 12.541 2.048 -35.482 1.00 0.00 H new ATOM 0 HA LEU A 70 12.512 -0.444 -37.102 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.988 -1.697 -34.991 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.352 -0.827 -35.664 1.00 0.00 H new ATOM 0 HG LEU A 70 12.749 0.473 -33.474 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.161 -0.601 -31.723 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.132 -1.777 -32.575 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.865 -1.664 -32.965 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.978 1.425 -32.840 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.730 0.499 -34.160 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.553 1.781 -34.531 1.00 0.00 H new ATOM 1316 N ASP A 71 10.589 -1.081 -34.949 1.00 0.00 N ATOM 1317 CA ASP A 71 9.246 -1.252 -34.389 1.00 0.00 C ATOM 1318 C ASP A 71 8.978 -0.229 -33.268 1.00 0.00 C ATOM 1319 O ASP A 71 9.552 -0.331 -32.179 1.00 0.00 O ATOM 1320 CB ASP A 71 9.092 -2.689 -33.847 1.00 0.00 C ATOM 1321 CG ASP A 71 9.170 -3.750 -34.953 1.00 0.00 C ATOM 1322 OD1 ASP A 71 8.119 -4.067 -35.553 1.00 0.00 O ATOM 1323 OD2 ASP A 71 10.275 -4.253 -35.243 1.00 0.00 O ATOM 0 H ASP A 71 11.225 -1.846 -34.724 1.00 0.00 H new ATOM 0 HA ASP A 71 8.516 -1.081 -35.180 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.872 -2.880 -33.110 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.136 -2.778 -33.331 1.00 0.00 H new ATOM 1328 N GLY A 72 8.112 0.759 -33.553 1.00 0.00 N ATOM 1329 CA GLY A 72 7.733 1.775 -32.573 1.00 0.00 C ATOM 1330 C GLY A 72 6.729 1.260 -31.554 1.00 0.00 C ATOM 1331 O GLY A 72 6.840 1.535 -30.357 1.00 0.00 O ATOM 0 H GLY A 72 7.662 0.870 -34.462 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.625 2.124 -32.054 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.310 2.635 -33.092 1.00 0.00 H new ATOM 1335 N MET A 73 5.737 0.506 -32.045 1.00 0.00 N ATOM 1336 CA MET A 73 4.615 0.009 -31.227 1.00 0.00 C ATOM 1337 C MET A 73 5.007 -1.207 -30.371 1.00 0.00 C ATOM 1338 O MET A 73 4.588 -1.304 -29.218 1.00 0.00 O ATOM 1339 CB MET A 73 3.389 -0.308 -32.140 1.00 0.00 C ATOM 1340 CG MET A 73 2.445 0.882 -32.335 1.00 0.00 C ATOM 1341 SD MET A 73 1.485 1.193 -30.835 1.00 0.00 S ATOM 1342 CE MET A 73 1.045 2.921 -30.971 1.00 0.00 C ATOM 0 H MET A 73 5.687 0.221 -33.023 1.00 0.00 H new ATOM 0 HA MET A 73 4.338 0.798 -30.527 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.748 -0.639 -33.114 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.830 -1.138 -31.708 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.021 1.770 -32.594 1.00 0.00 H new ATOM 0 HG3 MET A 73 1.771 0.685 -33.169 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.695 3.284 -30.005 1.00 0.00 H new ATOM 0 HE2 MET A 73 1.918 3.496 -31.280 1.00 0.00 H new ATOM 0 HE3 MET A 73 0.253 3.038 -31.711 1.00 0.00 H new ATOM 1352 N ALA A 74 5.828 -2.113 -30.926 1.00 0.00 N ATOM 1353 CA ALA A 74 6.215 -3.368 -30.240 1.00 0.00 C ATOM 1354 C ALA A 74 7.650 -3.783 -30.592 1.00 0.00 C ATOM 1355 O ALA A 74 7.884 -4.635 -31.461 1.00 0.00 O ATOM 1356 CB ALA A 74 5.199 -4.491 -30.524 1.00 0.00 C ATOM 0 H ALA A 74 6.241 -2.004 -31.852 1.00 0.00 H new ATOM 0 HA ALA A 74 6.197 -3.182 -29.166 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.508 -5.400 -30.008 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.214 -4.189 -30.168 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.155 -4.679 -31.597 1.00 0.00 H new ATOM 1362 N THR A 75 8.603 -3.119 -29.921 1.00 0.00 N ATOM 1363 CA THR A 75 10.046 -3.375 -30.065 1.00 0.00 C ATOM 1364 C THR A 75 10.530 -4.592 -29.215 1.00 0.00 C ATOM 1365 O THR A 75 10.727 -5.681 -29.775 1.00 0.00 O ATOM 1366 CB THR A 75 10.885 -2.074 -29.769 1.00 0.00 C ATOM 1367 OG1 THR A 75 12.271 -2.384 -29.578 1.00 0.00 O ATOM 1368 CG2 THR A 75 10.355 -1.288 -28.558 1.00 0.00 C ATOM 0 H THR A 75 8.391 -2.378 -29.253 1.00 0.00 H new ATOM 0 HA THR A 75 10.218 -3.651 -31.105 1.00 0.00 H new ATOM 0 HB THR A 75 10.777 -1.438 -30.647 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.809 -1.576 -29.716 1.00 0.00 H new ATOM 0 HG21 THR A 75 10.971 -0.402 -28.401 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.325 -0.985 -28.744 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.393 -1.919 -27.670 1.00 0.00 H new ATOM 1376 N ALA A 76 10.665 -4.430 -27.867 1.00 0.00 N ATOM 1377 CA ALA A 76 11.428 -5.385 -27.020 1.00 0.00 C ATOM 1378 C ALA A 76 11.388 -5.026 -25.518 1.00 0.00 C ATOM 1379 O ALA A 76 12.378 -5.264 -24.810 1.00 0.00 O ATOM 1380 CB ALA A 76 12.902 -5.471 -27.479 1.00 0.00 C ATOM 0 H ALA A 76 10.257 -3.651 -27.350 1.00 0.00 H new ATOM 0 HA ALA A 76 10.939 -6.351 -27.145 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.440 -6.175 -26.845 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.942 -5.811 -28.514 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.365 -4.487 -27.402 1.00 0.00 H new ATOM 1386 N LEU A 77 10.271 -4.480 -25.002 1.00 0.00 N ATOM 1387 CA LEU A 77 10.280 -3.856 -23.657 1.00 0.00 C ATOM 1388 C LEU A 77 10.369 -4.912 -22.535 1.00 0.00 C ATOM 1389 O LEU A 77 9.497 -5.770 -22.393 1.00 0.00 O ATOM 1390 CB LEU A 77 9.041 -2.939 -23.420 1.00 0.00 C ATOM 1391 CG LEU A 77 9.230 -1.430 -23.736 1.00 0.00 C ATOM 1392 CD1 LEU A 77 7.969 -0.634 -23.383 1.00 0.00 C ATOM 1393 CD2 LEU A 77 10.447 -0.863 -22.992 1.00 0.00 C ATOM 0 H LEU A 77 9.370 -4.455 -25.479 1.00 0.00 H new ATOM 0 HA LEU A 77 11.174 -3.234 -23.623 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.217 -3.315 -24.026 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.739 -3.035 -22.377 1.00 0.00 H new ATOM 0 HG LEU A 77 9.407 -1.334 -24.807 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.127 0.419 -23.614 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.127 -1.010 -23.964 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.755 -0.744 -22.320 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.558 0.195 -23.230 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.304 -0.981 -21.918 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.344 -1.400 -23.300 1.00 0.00 H new ATOM 1405 N ASP A 78 11.466 -4.813 -21.768 1.00 0.00 N ATOM 1406 CA ASP A 78 11.758 -5.661 -20.607 1.00 0.00 C ATOM 1407 C ASP A 78 11.878 -4.778 -19.355 1.00 0.00 C ATOM 1408 O ASP A 78 11.841 -3.552 -19.453 1.00 0.00 O ATOM 1409 CB ASP A 78 13.061 -6.467 -20.857 1.00 0.00 C ATOM 1410 CG ASP A 78 12.958 -7.427 -22.055 1.00 0.00 C ATOM 1411 OD1 ASP A 78 12.198 -8.421 -21.968 1.00 0.00 O ATOM 1412 OD2 ASP A 78 13.646 -7.213 -23.072 1.00 0.00 O ATOM 0 H ASP A 78 12.193 -4.120 -21.945 1.00 0.00 H new ATOM 0 HA ASP A 78 10.949 -6.375 -20.452 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.884 -5.772 -21.026 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.305 -7.038 -19.961 1.00 0.00 H new ATOM 1417 N ASP A 79 12.019 -5.410 -18.184 1.00 0.00 N ATOM 1418 CA ASP A 79 12.065 -4.705 -16.886 1.00 0.00 C ATOM 1419 C ASP A 79 13.348 -3.859 -16.724 1.00 0.00 C ATOM 1420 O ASP A 79 14.417 -4.223 -17.227 1.00 0.00 O ATOM 1421 CB ASP A 79 11.932 -5.720 -15.721 1.00 0.00 C ATOM 1422 CG ASP A 79 13.020 -6.812 -15.722 1.00 0.00 C ATOM 1423 OD1 ASP A 79 12.919 -7.756 -16.535 1.00 0.00 O ATOM 1424 OD2 ASP A 79 13.971 -6.735 -14.910 1.00 0.00 O ATOM 0 H ASP A 79 12.105 -6.423 -18.103 1.00 0.00 H new ATOM 0 HA ASP A 79 11.222 -4.015 -16.860 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.972 -5.181 -14.775 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.953 -6.195 -15.775 1.00 0.00 H new ATOM 1429 N GLY A 80 13.201 -2.729 -16.013 1.00 0.00 N ATOM 1430 CA GLY A 80 14.292 -1.776 -15.780 1.00 0.00 C ATOM 1431 C GLY A 80 14.752 -1.029 -17.036 1.00 0.00 C ATOM 1432 O GLY A 80 15.818 -0.401 -17.021 1.00 0.00 O ATOM 0 H GLY A 80 12.318 -2.452 -15.583 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.971 -1.048 -15.035 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.142 -2.311 -15.357 1.00 0.00 H new ATOM 1436 N ASP A 81 13.940 -1.077 -18.121 1.00 0.00 N ATOM 1437 CA ASP A 81 14.287 -0.452 -19.420 1.00 0.00 C ATOM 1438 C ASP A 81 14.173 1.093 -19.322 1.00 0.00 C ATOM 1439 O ASP A 81 13.848 1.622 -18.260 1.00 0.00 O ATOM 1440 CB ASP A 81 13.368 -1.016 -20.557 1.00 0.00 C ATOM 1441 CG ASP A 81 14.051 -1.038 -21.939 1.00 0.00 C ATOM 1442 OD1 ASP A 81 14.082 0.003 -22.640 1.00 0.00 O ATOM 1443 OD2 ASP A 81 14.575 -2.100 -22.329 1.00 0.00 O ATOM 0 H ASP A 81 13.034 -1.546 -18.120 1.00 0.00 H new ATOM 0 HA ASP A 81 15.320 -0.699 -19.667 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.059 -2.028 -20.296 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.463 -0.412 -20.616 1.00 0.00 H new ATOM 1448 N ALA A 82 14.463 1.812 -20.420 1.00 0.00 N ATOM 1449 CA ALA A 82 14.341 3.281 -20.475 1.00 0.00 C ATOM 1450 C ALA A 82 13.798 3.736 -21.847 1.00 0.00 C ATOM 1451 O ALA A 82 14.542 3.789 -22.837 1.00 0.00 O ATOM 1452 CB ALA A 82 15.689 3.954 -20.169 1.00 0.00 C ATOM 0 H ALA A 82 14.788 1.394 -21.292 1.00 0.00 H new ATOM 0 HA ALA A 82 13.628 3.590 -19.710 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.574 5.037 -20.216 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.021 3.667 -19.171 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.429 3.636 -20.903 1.00 0.00 H new ATOM 1458 N VAL A 83 12.489 4.036 -21.900 1.00 0.00 N ATOM 1459 CA VAL A 83 11.834 4.589 -23.098 1.00 0.00 C ATOM 1460 C VAL A 83 11.954 6.126 -23.064 1.00 0.00 C ATOM 1461 O VAL A 83 11.286 6.786 -22.267 1.00 0.00 O ATOM 1462 CB VAL A 83 10.311 4.182 -23.151 1.00 0.00 C ATOM 1463 CG1 VAL A 83 9.590 4.749 -24.400 1.00 0.00 C ATOM 1464 CG2 VAL A 83 10.139 2.655 -23.063 1.00 0.00 C ATOM 0 H VAL A 83 11.855 3.902 -21.113 1.00 0.00 H new ATOM 0 HA VAL A 83 12.324 4.187 -23.985 1.00 0.00 H new ATOM 0 HB VAL A 83 9.837 4.631 -22.278 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.545 4.440 -24.388 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.647 5.837 -24.390 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.071 4.369 -25.301 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.079 2.405 -23.102 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.654 2.182 -23.899 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.562 2.295 -22.125 1.00 0.00 H new ATOM 1474 N SER A 84 12.814 6.678 -23.919 1.00 0.00 N ATOM 1475 CA SER A 84 12.985 8.137 -24.057 1.00 0.00 C ATOM 1476 C SER A 84 12.046 8.655 -25.153 1.00 0.00 C ATOM 1477 O SER A 84 11.851 7.978 -26.144 1.00 0.00 O ATOM 1478 CB SER A 84 14.455 8.457 -24.390 1.00 0.00 C ATOM 1479 OG SER A 84 15.310 8.060 -23.338 1.00 0.00 O ATOM 0 H SER A 84 13.414 6.133 -24.538 1.00 0.00 H new ATOM 0 HA SER A 84 12.732 8.633 -23.120 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.743 7.947 -25.309 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.566 9.526 -24.570 1.00 0.00 H new ATOM 0 HG SER A 84 16.238 8.272 -23.573 1.00 0.00 H new ATOM 1485 N VAL A 85 11.444 9.842 -24.976 1.00 0.00 N ATOM 1486 CA VAL A 85 10.481 10.395 -25.946 1.00 0.00 C ATOM 1487 C VAL A 85 10.756 11.890 -26.173 1.00 0.00 C ATOM 1488 O VAL A 85 11.145 12.625 -25.258 1.00 0.00 O ATOM 1489 CB VAL A 85 8.967 10.183 -25.526 1.00 0.00 C ATOM 1490 CG1 VAL A 85 8.621 8.690 -25.270 1.00 0.00 C ATOM 1491 CG2 VAL A 85 8.594 11.049 -24.314 1.00 0.00 C ATOM 0 H VAL A 85 11.607 10.441 -24.167 1.00 0.00 H new ATOM 0 HA VAL A 85 10.628 9.840 -26.873 1.00 0.00 H new ATOM 0 HB VAL A 85 8.364 10.507 -26.375 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.572 8.603 -24.986 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.800 8.114 -26.178 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.248 8.304 -24.466 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.549 10.879 -24.053 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.227 10.783 -23.468 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.740 12.101 -24.560 1.00 0.00 H new ATOM 1501 N PHE A 86 10.570 12.300 -27.418 1.00 0.00 N ATOM 1502 CA PHE A 86 10.718 13.679 -27.888 1.00 0.00 C ATOM 1503 C PHE A 86 9.484 13.951 -28.786 1.00 0.00 C ATOM 1504 O PHE A 86 9.125 13.076 -29.589 1.00 0.00 O ATOM 1505 CB PHE A 86 12.013 13.877 -28.746 1.00 0.00 C ATOM 1506 CG PHE A 86 13.351 13.531 -28.070 1.00 0.00 C ATOM 1507 CD1 PHE A 86 13.685 12.208 -27.778 1.00 0.00 C ATOM 1508 CD2 PHE A 86 14.289 14.521 -27.758 1.00 0.00 C ATOM 1509 CE1 PHE A 86 14.896 11.886 -27.201 1.00 0.00 C ATOM 1510 CE2 PHE A 86 15.509 14.188 -27.188 1.00 0.00 C ATOM 1511 CZ PHE A 86 15.804 12.866 -26.908 1.00 0.00 C ATOM 0 H PHE A 86 10.300 11.658 -28.164 1.00 0.00 H new ATOM 0 HA PHE A 86 10.792 14.355 -27.036 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.920 13.270 -29.647 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.053 14.918 -29.066 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.982 11.421 -28.008 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.061 15.556 -27.963 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.128 10.855 -26.980 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.229 14.961 -26.963 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.751 12.608 -26.458 1.00 0.00 H new ATOM 1521 N PRO A 87 8.799 15.125 -28.657 1.00 0.00 N ATOM 1522 CA PRO A 87 7.654 15.507 -29.533 1.00 0.00 C ATOM 1523 C PRO A 87 8.055 15.626 -31.030 1.00 0.00 C ATOM 1524 O PRO A 87 9.250 15.749 -31.340 1.00 0.00 O ATOM 1525 CB PRO A 87 7.196 16.874 -28.943 1.00 0.00 C ATOM 1526 CG PRO A 87 8.380 17.375 -28.196 1.00 0.00 C ATOM 1527 CD PRO A 87 9.050 16.149 -27.634 1.00 0.00 C ATOM 0 HA PRO A 87 6.865 14.755 -29.536 1.00 0.00 H new ATOM 0 HB2 PRO A 87 6.902 17.567 -29.731 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.334 16.754 -28.286 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.054 17.925 -28.853 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.082 18.059 -27.401 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.117 16.309 -27.479 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.627 15.866 -26.670 1.00 0.00 H new ATOM 1535 N PRO A 88 7.058 15.596 -31.983 1.00 0.00 N ATOM 1536 CA PRO A 88 7.357 15.582 -33.432 1.00 0.00 C ATOM 1537 C PRO A 88 8.064 16.870 -33.902 1.00 0.00 C ATOM 1538 O PRO A 88 7.609 17.987 -33.627 1.00 0.00 O ATOM 1539 CB PRO A 88 5.965 15.391 -34.089 1.00 0.00 C ATOM 1540 CG PRO A 88 4.991 15.906 -33.075 1.00 0.00 C ATOM 1541 CD PRO A 88 5.593 15.576 -31.726 1.00 0.00 C ATOM 0 HA PRO A 88 8.058 14.794 -33.706 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.890 15.943 -35.026 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.777 14.343 -34.321 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.842 16.980 -33.185 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.015 15.435 -33.194 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.308 16.308 -30.970 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.262 14.602 -31.367 1.00 0.00 H new