USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 63 HIS : no HD1:sc= -0.165 X(o=-0.16,f=0) USER MOD Set 3.1: A 22 THR OG1 : rot -170:sc= -0.788 USER MOD Set 3.2: A 39 GLN : amide:sc= -0.589 X(o=-1.4,f=-1.7) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0582 USER MOD Single : A 27 SER OG : rot 170:sc=-0.00439 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.741 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 105:sc= -1.06 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 50 TYR OH : rot -137:sc= -1.13 USER MOD Single : A 51 SER OG : rot 170:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.652 X(o=-0.65,f=-0.47) USER MOD Single : A 58 ASN : amide:sc= -2.71 K(o=-2.7,f=-8.4!) USER MOD Single : A 66 ASN : amide:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.134 K(o=-0.13,f=-3.7!) USER MOD Single : A 72 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.62) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 28:sc= 0.112 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.173 F(o=-2.2!,f=-0.17) USER MOD Single : A 84 HIS : no HE2:sc= 1.25 K(o=1.2,f=-4.9!) USER MOD Single : A 86 TYR OH : rot 30:sc= -0.571 USER MOD Single : A 93 GLN : amide:sc= 0.2 K(o=0.2,f=-2.2!) USER MOD Single : A 94 SER OG : rot 152:sc= 0.0202 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 184 N GLY A 16 9.690 16.516 -1.521 1.00 0.00 N ATOM 185 CA GLY A 16 8.468 16.429 -2.299 1.00 0.00 C ATOM 186 C GLY A 16 7.954 15.008 -2.414 1.00 0.00 C ATOM 187 O GLY A 16 7.423 14.613 -3.452 1.00 0.00 O ATOM 0 HA2 GLY A 16 7.702 17.053 -1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.647 16.829 -3.297 1.00 0.00 H new ATOM 191 N VAL A 17 8.112 14.235 -1.344 1.00 0.00 N ATOM 192 CA VAL A 17 7.660 12.848 -1.329 1.00 0.00 C ATOM 193 C VAL A 17 6.367 12.700 -0.534 1.00 0.00 C ATOM 194 O VAL A 17 6.133 13.397 0.453 1.00 0.00 O ATOM 195 CB VAL A 17 8.729 11.916 -0.728 1.00 0.00 C ATOM 196 CG1 VAL A 17 9.882 11.728 -1.701 1.00 0.00 C ATOM 197 CG2 VAL A 17 9.226 12.464 0.602 1.00 0.00 C ATOM 0 H VAL A 17 8.549 14.545 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 17 7.481 12.562 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 17 8.276 10.941 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.627 11.067 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.509 11.288 -2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.337 12.695 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.981 11.793 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.663 13.451 0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.391 12.541 1.299 1.00 0.00 H new ATOM 207 N PRO A 18 5.506 11.771 -0.974 1.00 0.00 N ATOM 208 CA PRO A 18 4.222 11.508 -0.317 1.00 0.00 C ATOM 209 C PRO A 18 4.392 10.847 1.046 1.00 0.00 C ATOM 210 O PRO A 18 4.973 9.767 1.155 1.00 0.00 O ATOM 211 CB PRO A 18 3.516 10.558 -1.287 1.00 0.00 C ATOM 212 CG PRO A 18 4.618 9.887 -2.031 1.00 0.00 C ATOM 213 CD PRO A 18 5.720 10.903 -2.144 1.00 0.00 C ATOM 0 HA PRO A 18 3.670 12.427 -0.120 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.900 9.834 -0.754 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.856 11.101 -1.963 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.960 8.997 -1.503 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.283 9.563 -3.016 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.703 10.433 -2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.656 11.463 -3.077 1.00 0.00 H new ATOM 221 N ASP A 19 3.883 11.502 2.084 1.00 0.00 N ATOM 222 CA ASP A 19 3.977 10.976 3.441 1.00 0.00 C ATOM 223 C ASP A 19 3.333 9.597 3.536 1.00 0.00 C ATOM 224 O ASP A 19 2.671 9.143 2.602 1.00 0.00 O ATOM 225 CB ASP A 19 3.309 11.934 4.429 1.00 0.00 C ATOM 226 CG ASP A 19 3.945 11.884 5.804 1.00 0.00 C ATOM 227 OD1 ASP A 19 5.171 11.659 5.883 1.00 0.00 O ATOM 228 OD2 ASP A 19 3.217 12.071 6.801 1.00 0.00 O ATOM 0 H ASP A 19 3.401 12.398 2.012 1.00 0.00 H new ATOM 0 HA ASP A 19 5.033 10.882 3.695 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.369 12.951 4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.251 11.686 4.512 1.00 0.00 H new ATOM 233 N THR A 20 3.532 8.933 4.670 1.00 0.00 N ATOM 234 CA THR A 20 2.973 7.604 4.886 1.00 0.00 C ATOM 235 C THR A 20 1.462 7.605 4.688 1.00 0.00 C ATOM 236 O THR A 20 0.742 8.448 5.224 1.00 0.00 O ATOM 237 CB THR A 20 3.295 7.083 6.300 1.00 0.00 C ATOM 238 OG1 THR A 20 4.561 7.592 6.734 1.00 0.00 O ATOM 239 CG2 THR A 20 3.318 5.562 6.323 1.00 0.00 C ATOM 0 H THR A 20 4.076 9.294 5.453 1.00 0.00 H new ATOM 0 HA THR A 20 3.432 6.944 4.150 1.00 0.00 H new ATOM 0 HB THR A 20 2.515 7.429 6.978 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.757 7.257 7.634 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.547 5.217 7.331 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.343 5.179 6.021 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.080 5.199 5.633 1.00 0.00 H new ATOM 247 N PRO A 21 0.967 6.637 3.902 1.00 0.00 N ATOM 248 CA PRO A 21 -0.464 6.504 3.616 1.00 0.00 C ATOM 249 C PRO A 21 -1.259 6.053 4.837 1.00 0.00 C ATOM 250 O PRO A 21 -0.780 5.256 5.644 1.00 0.00 O ATOM 251 CB PRO A 21 -0.510 5.433 2.523 1.00 0.00 C ATOM 252 CG PRO A 21 0.731 4.634 2.724 1.00 0.00 C ATOM 253 CD PRO A 21 1.767 5.599 3.231 1.00 0.00 C ATOM 0 HA PRO A 21 -0.910 7.453 3.320 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.401 4.811 2.615 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.536 5.882 1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.565 3.828 3.439 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.052 4.171 1.791 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.461 5.118 3.921 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.362 6.014 2.417 1.00 0.00 H new ATOM 261 N THR A 22 -2.478 6.568 4.967 1.00 0.00 N ATOM 262 CA THR A 22 -3.340 6.219 6.089 1.00 0.00 C ATOM 263 C THR A 22 -3.656 4.728 6.097 1.00 0.00 C ATOM 264 O THR A 22 -3.434 4.032 5.106 1.00 0.00 O ATOM 265 CB THR A 22 -4.660 7.012 6.052 1.00 0.00 C ATOM 266 OG1 THR A 22 -4.473 8.241 5.341 1.00 0.00 O ATOM 267 CG2 THR A 22 -5.155 7.305 7.460 1.00 0.00 C ATOM 0 H THR A 22 -2.890 7.229 4.308 1.00 0.00 H new ATOM 0 HA THR A 22 -2.795 6.477 6.997 1.00 0.00 H new ATOM 0 HB THR A 22 -5.408 6.407 5.540 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.264 8.809 5.455 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.088 7.866 7.408 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.324 6.367 7.989 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.408 7.893 7.993 1.00 0.00 H new ATOM 275 N ARG A 23 -4.176 4.244 7.220 1.00 0.00 N ATOM 276 CA ARG A 23 -4.522 2.834 7.356 1.00 0.00 C ATOM 277 C ARG A 23 -5.182 2.311 6.083 1.00 0.00 C ATOM 278 O ARG A 23 -5.757 3.077 5.309 1.00 0.00 O ATOM 279 CB ARG A 23 -5.457 2.630 8.549 1.00 0.00 C ATOM 280 CG ARG A 23 -6.821 3.277 8.372 1.00 0.00 C ATOM 281 CD ARG A 23 -7.759 2.922 9.515 1.00 0.00 C ATOM 282 NE ARG A 23 -7.418 3.635 10.744 1.00 0.00 N ATOM 283 CZ ARG A 23 -8.289 3.880 11.717 1.00 0.00 C ATOM 284 NH1 ARG A 23 -9.545 3.471 11.605 1.00 0.00 N ATOM 285 NH2 ARG A 23 -7.903 4.534 12.805 1.00 0.00 N ATOM 0 H ARG A 23 -4.367 4.807 8.049 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.602 2.274 7.524 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.590 1.561 8.717 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.985 3.036 9.443 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.707 4.360 8.317 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.258 2.954 7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.784 3.160 9.230 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.720 1.848 9.696 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.459 3.962 10.861 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.845 2.967 10.770 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.212 3.660 12.353 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.937 4.849 12.895 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.572 4.722 13.552 1.00 0.00 H new ATOM 299 N LEU A 24 -5.094 1.002 5.872 1.00 0.00 N ATOM 300 CA LEU A 24 -5.682 0.376 4.693 1.00 0.00 C ATOM 301 C LEU A 24 -7.010 -0.292 5.036 1.00 0.00 C ATOM 302 O LEU A 24 -7.319 -0.518 6.206 1.00 0.00 O ATOM 303 CB LEU A 24 -4.717 -0.654 4.104 1.00 0.00 C ATOM 304 CG LEU A 24 -3.228 -0.373 4.308 1.00 0.00 C ATOM 305 CD1 LEU A 24 -2.387 -1.502 3.734 1.00 0.00 C ATOM 306 CD2 LEU A 24 -2.844 0.956 3.673 1.00 0.00 C ATOM 0 H LEU A 24 -4.621 0.354 6.502 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.869 1.155 3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.946 -1.627 4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.908 -0.731 3.034 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.034 -0.312 5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.330 -1.284 3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.642 -2.436 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.585 -1.597 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.781 1.140 3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.054 0.923 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.421 1.759 4.132 1.00 0.00 H new ATOM 318 N VAL A 25 -7.790 -0.607 4.008 1.00 0.00 N ATOM 319 CA VAL A 25 -9.084 -1.253 4.200 1.00 0.00 C ATOM 320 C VAL A 25 -9.198 -2.517 3.355 1.00 0.00 C ATOM 321 O VAL A 25 -9.127 -2.464 2.127 1.00 0.00 O ATOM 322 CB VAL A 25 -10.243 -0.304 3.843 1.00 0.00 C ATOM 323 CG1 VAL A 25 -11.537 -1.084 3.667 1.00 0.00 C ATOM 324 CG2 VAL A 25 -10.399 0.770 4.910 1.00 0.00 C ATOM 0 H VAL A 25 -7.549 -0.426 3.033 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.152 -1.518 5.255 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.011 0.186 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.345 -0.397 3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.417 -1.812 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.778 -1.603 4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.222 1.432 4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.609 0.300 5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.478 1.348 4.982 1.00 0.00 H new ATOM 334 N PHE A 26 -9.376 -3.653 4.021 1.00 0.00 N ATOM 335 CA PHE A 26 -9.499 -4.932 3.331 1.00 0.00 C ATOM 336 C PHE A 26 -10.960 -5.367 3.250 1.00 0.00 C ATOM 337 O PHE A 26 -11.684 -5.336 4.245 1.00 0.00 O ATOM 338 CB PHE A 26 -8.675 -6.004 4.048 1.00 0.00 C ATOM 339 CG PHE A 26 -7.248 -5.602 4.287 1.00 0.00 C ATOM 340 CD1 PHE A 26 -6.902 -4.855 5.402 1.00 0.00 C ATOM 341 CD2 PHE A 26 -6.252 -5.971 3.397 1.00 0.00 C ATOM 342 CE1 PHE A 26 -5.590 -4.484 5.625 1.00 0.00 C ATOM 343 CE2 PHE A 26 -4.938 -5.603 3.616 1.00 0.00 C ATOM 344 CZ PHE A 26 -4.606 -4.858 4.730 1.00 0.00 C ATOM 0 H PHE A 26 -9.438 -3.714 5.037 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.118 -4.808 2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.145 -6.233 5.005 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.692 -6.920 3.457 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.667 -4.559 6.105 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.505 -6.552 2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.334 -3.902 6.498 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.171 -5.898 2.916 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.580 -4.568 4.901 1.00 0.00 H new ATOM 354 N SER A 27 -11.385 -5.771 2.057 1.00 0.00 N ATOM 355 CA SER A 27 -12.760 -6.208 1.844 1.00 0.00 C ATOM 356 C SER A 27 -12.874 -7.724 1.976 1.00 0.00 C ATOM 357 O SER A 27 -13.849 -8.238 2.523 1.00 0.00 O ATOM 358 CB SER A 27 -13.249 -5.766 0.463 1.00 0.00 C ATOM 359 OG SER A 27 -14.641 -5.989 0.321 1.00 0.00 O ATOM 0 H SER A 27 -10.798 -5.805 1.224 1.00 0.00 H new ATOM 0 HA SER A 27 -13.386 -5.746 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.030 -4.708 0.317 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.709 -6.313 -0.310 1.00 0.00 H new ATOM 0 HG SER A 27 -14.960 -5.556 -0.498 1.00 0.00 H new ATOM 365 N ALA A 28 -11.871 -8.433 1.469 1.00 0.00 N ATOM 366 CA ALA A 28 -11.857 -9.889 1.531 1.00 0.00 C ATOM 367 C ALA A 28 -13.045 -10.482 0.781 1.00 0.00 C ATOM 368 O ALA A 28 -13.805 -11.280 1.331 1.00 0.00 O ATOM 369 CB ALA A 28 -11.860 -10.356 2.980 1.00 0.00 C ATOM 0 H ALA A 28 -11.057 -8.022 1.011 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.944 -10.239 1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.849 -11.446 3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.977 -9.970 3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.756 -9.987 3.479 1.00 0.00 H new ATOM 375 N LEU A 29 -13.200 -10.088 -0.478 1.00 0.00 N ATOM 376 CA LEU A 29 -14.296 -10.580 -1.305 1.00 0.00 C ATOM 377 C LEU A 29 -14.453 -12.090 -1.158 1.00 0.00 C ATOM 378 O LEU A 29 -15.547 -12.629 -1.320 1.00 0.00 O ATOM 379 CB LEU A 29 -14.055 -10.221 -2.773 1.00 0.00 C ATOM 380 CG LEU A 29 -13.957 -8.729 -3.092 1.00 0.00 C ATOM 381 CD1 LEU A 29 -14.801 -7.919 -2.120 1.00 0.00 C ATOM 382 CD2 LEU A 29 -12.506 -8.269 -3.052 1.00 0.00 C ATOM 0 H LEU A 29 -12.580 -9.429 -0.949 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.216 -10.103 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.133 -10.703 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.863 -10.647 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.342 -8.566 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.719 -6.859 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.843 -8.229 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.447 -8.087 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.455 -7.205 -3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.096 -8.446 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.927 -8.827 -3.788 1.00 0.00 H new ATOM 394 N GLY A 30 -13.352 -12.767 -0.848 1.00 0.00 N ATOM 395 CA GLY A 30 -13.390 -14.208 -0.682 1.00 0.00 C ATOM 396 C GLY A 30 -12.125 -14.752 -0.048 1.00 0.00 C ATOM 397 O GLY A 30 -11.301 -14.007 0.483 1.00 0.00 O ATOM 0 H GLY A 30 -12.435 -12.343 -0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.247 -14.477 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.537 -14.679 -1.654 1.00 0.00 H new ATOM 401 N PRO A 31 -11.959 -16.082 -0.097 1.00 0.00 N ATOM 402 CA PRO A 31 -10.788 -16.755 0.474 1.00 0.00 C ATOM 403 C PRO A 31 -9.514 -16.468 -0.313 1.00 0.00 C ATOM 404 O PRO A 31 -8.412 -16.490 0.238 1.00 0.00 O ATOM 405 CB PRO A 31 -11.151 -18.239 0.381 1.00 0.00 C ATOM 406 CG PRO A 31 -12.126 -18.321 -0.743 1.00 0.00 C ATOM 407 CD PRO A 31 -12.900 -17.032 -0.714 1.00 0.00 C ATOM 0 HA PRO A 31 -10.578 -16.417 1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.270 -18.851 0.186 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.589 -18.598 1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.613 -18.447 -1.696 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.789 -19.177 -0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.191 -16.716 -1.716 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.816 -17.126 -0.131 1.00 0.00 H new ATOM 415 N THR A 32 -9.669 -16.198 -1.605 1.00 0.00 N ATOM 416 CA THR A 32 -8.531 -15.907 -2.468 1.00 0.00 C ATOM 417 C THR A 32 -8.672 -14.537 -3.121 1.00 0.00 C ATOM 418 O THR A 32 -8.036 -14.254 -4.136 1.00 0.00 O ATOM 419 CB THR A 32 -8.373 -16.974 -3.568 1.00 0.00 C ATOM 420 OG1 THR A 32 -9.624 -17.179 -4.235 1.00 0.00 O ATOM 421 CG2 THR A 32 -7.884 -18.289 -2.980 1.00 0.00 C ATOM 0 H THR A 32 -10.573 -16.175 -2.077 1.00 0.00 H new ATOM 0 HA THR A 32 -7.644 -15.915 -1.835 1.00 0.00 H new ATOM 0 HB THR A 32 -7.634 -16.618 -4.285 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.515 -17.857 -4.934 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.780 -19.027 -3.775 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.918 -18.136 -2.499 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.603 -18.648 -2.244 1.00 0.00 H new ATOM 429 N SER A 33 -9.510 -13.689 -2.532 1.00 0.00 N ATOM 430 CA SER A 33 -9.737 -12.349 -3.059 1.00 0.00 C ATOM 431 C SER A 33 -9.746 -11.317 -1.935 1.00 0.00 C ATOM 432 O SER A 33 -10.160 -11.609 -0.812 1.00 0.00 O ATOM 433 CB SER A 33 -11.060 -12.296 -3.826 1.00 0.00 C ATOM 434 OG SER A 33 -12.053 -13.076 -3.182 1.00 0.00 O ATOM 0 H SER A 33 -10.043 -13.907 -1.690 1.00 0.00 H new ATOM 0 HA SER A 33 -8.921 -12.111 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.398 -11.263 -3.904 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.910 -12.660 -4.843 1.00 0.00 H new ATOM 0 HG SER A 33 -12.890 -13.025 -3.690 1.00 0.00 H new ATOM 440 N LEU A 34 -9.286 -10.110 -2.245 1.00 0.00 N ATOM 441 CA LEU A 34 -9.240 -9.033 -1.262 1.00 0.00 C ATOM 442 C LEU A 34 -9.274 -7.670 -1.946 1.00 0.00 C ATOM 443 O LEU A 34 -9.048 -7.564 -3.151 1.00 0.00 O ATOM 444 CB LEU A 34 -7.981 -9.155 -0.402 1.00 0.00 C ATOM 445 CG LEU A 34 -8.123 -9.968 0.885 1.00 0.00 C ATOM 446 CD1 LEU A 34 -6.808 -10.646 1.236 1.00 0.00 C ATOM 447 CD2 LEU A 34 -8.590 -9.080 2.029 1.00 0.00 C ATOM 0 H LEU A 34 -8.940 -9.852 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.118 -9.119 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.194 -9.605 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.646 -8.152 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.874 -10.741 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.928 -11.220 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.516 -11.315 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.036 -9.890 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.685 -9.676 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.863 -8.284 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.557 -8.643 1.779 1.00 0.00 H new ATOM 459 N ARG A 35 -9.555 -6.630 -1.167 1.00 0.00 N ATOM 460 CA ARG A 35 -9.617 -5.274 -1.697 1.00 0.00 C ATOM 461 C ARG A 35 -8.994 -4.280 -0.721 1.00 0.00 C ATOM 462 O ARG A 35 -9.590 -3.941 0.302 1.00 0.00 O ATOM 463 CB ARG A 35 -11.067 -4.882 -1.985 1.00 0.00 C ATOM 464 CG ARG A 35 -11.208 -3.537 -2.680 1.00 0.00 C ATOM 465 CD ARG A 35 -12.657 -3.077 -2.716 1.00 0.00 C ATOM 466 NE ARG A 35 -12.810 -1.803 -3.414 1.00 0.00 N ATOM 467 CZ ARG A 35 -13.969 -1.360 -3.888 1.00 0.00 C ATOM 468 NH1 ARG A 35 -15.070 -2.083 -3.740 1.00 0.00 N ATOM 469 NH2 ARG A 35 -14.028 -0.190 -4.511 1.00 0.00 N ATOM 0 H ARG A 35 -9.743 -6.701 -0.167 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.049 -5.248 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.526 -5.652 -2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.621 -4.856 -1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.602 -2.794 -2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.823 -3.610 -3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.266 -3.835 -3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.032 -2.979 -1.697 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.982 -1.222 -3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.029 -2.983 -3.261 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.958 -1.740 -4.105 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.183 0.370 -4.626 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.918 0.150 -4.875 1.00 0.00 H new ATOM 483 N VAL A 36 -7.791 -3.816 -1.044 1.00 0.00 N ATOM 484 CA VAL A 36 -7.087 -2.860 -0.196 1.00 0.00 C ATOM 485 C VAL A 36 -7.357 -1.428 -0.642 1.00 0.00 C ATOM 486 O VAL A 36 -7.201 -1.092 -1.816 1.00 0.00 O ATOM 487 CB VAL A 36 -5.568 -3.112 -0.208 1.00 0.00 C ATOM 488 CG1 VAL A 36 -4.820 -1.889 0.299 1.00 0.00 C ATOM 489 CG2 VAL A 36 -5.225 -4.339 0.624 1.00 0.00 C ATOM 0 H VAL A 36 -7.283 -4.086 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.463 -2.999 0.818 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.256 -3.299 -1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.748 -2.086 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.042 -1.035 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.133 -1.668 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.147 -4.502 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.550 -4.183 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.732 -5.212 0.212 1.00 0.00 H new ATOM 499 N SER A 37 -7.764 -0.586 0.304 1.00 0.00 N ATOM 500 CA SER A 37 -8.059 0.811 0.008 1.00 0.00 C ATOM 501 C SER A 37 -7.317 1.737 0.967 1.00 0.00 C ATOM 502 O SER A 37 -7.347 1.543 2.182 1.00 0.00 O ATOM 503 CB SER A 37 -9.565 1.066 0.097 1.00 0.00 C ATOM 504 OG SER A 37 -9.838 2.442 0.291 1.00 0.00 O ATOM 0 H SER A 37 -7.897 -0.847 1.281 1.00 0.00 H new ATOM 0 HA SER A 37 -7.722 1.021 -1.007 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.050 0.721 -0.816 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.987 0.489 0.920 1.00 0.00 H new ATOM 0 HG SER A 37 -10.807 2.579 0.343 1.00 0.00 H new ATOM 510 N TRP A 38 -6.653 2.744 0.411 1.00 0.00 N ATOM 511 CA TRP A 38 -5.903 3.701 1.216 1.00 0.00 C ATOM 512 C TRP A 38 -6.409 5.121 0.985 1.00 0.00 C ATOM 513 O TRP A 38 -7.372 5.333 0.249 1.00 0.00 O ATOM 514 CB TRP A 38 -4.411 3.618 0.886 1.00 0.00 C ATOM 515 CG TRP A 38 -4.120 3.735 -0.580 1.00 0.00 C ATOM 516 CD1 TRP A 38 -3.616 4.824 -1.231 1.00 0.00 C ATOM 517 CD2 TRP A 38 -4.317 2.725 -1.575 1.00 0.00 C ATOM 518 NE1 TRP A 38 -3.488 4.553 -2.572 1.00 0.00 N ATOM 519 CE2 TRP A 38 -3.910 3.271 -2.809 1.00 0.00 C ATOM 520 CE3 TRP A 38 -4.795 1.412 -1.545 1.00 0.00 C ATOM 521 CZ2 TRP A 38 -3.970 2.549 -3.998 1.00 0.00 C ATOM 522 CZ3 TRP A 38 -4.854 0.697 -2.726 1.00 0.00 C ATOM 523 CH2 TRP A 38 -4.442 1.266 -3.939 1.00 0.00 C ATOM 0 H TRP A 38 -6.619 2.919 -0.593 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.050 3.449 2.266 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.884 4.410 1.418 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.017 2.670 1.253 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.356 5.761 -0.761 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.136 5.201 -3.277 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.113 0.964 -0.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.655 2.986 -4.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.224 -0.318 -2.714 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.498 0.680 -4.845 1.00 0.00 H new ATOM 534 N GLN A 39 -5.753 6.089 1.618 1.00 0.00 N ATOM 535 CA GLN A 39 -6.139 7.488 1.481 1.00 0.00 C ATOM 536 C GLN A 39 -5.004 8.309 0.877 1.00 0.00 C ATOM 537 O GLN A 39 -3.860 8.224 1.321 1.00 0.00 O ATOM 538 CB GLN A 39 -6.534 8.066 2.841 1.00 0.00 C ATOM 539 CG GLN A 39 -7.382 9.323 2.745 1.00 0.00 C ATOM 540 CD GLN A 39 -6.557 10.565 2.469 1.00 0.00 C ATOM 541 OE1 GLN A 39 -6.695 11.195 1.420 1.00 0.00 O ATOM 542 NE2 GLN A 39 -5.693 10.923 3.411 1.00 0.00 N ATOM 0 H GLN A 39 -4.953 5.930 2.230 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.997 7.538 0.810 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.083 7.310 3.402 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.630 8.290 3.408 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.120 9.199 1.953 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.933 9.457 3.676 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.612 10.371 4.265 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.110 11.750 3.281 1.00 0.00 H new ATOM 551 N GLU A 40 -5.330 9.102 -0.139 1.00 0.00 N ATOM 552 CA GLU A 40 -4.337 9.936 -0.805 1.00 0.00 C ATOM 553 C GLU A 40 -3.523 10.730 0.213 1.00 0.00 C ATOM 554 O GLU A 40 -4.000 11.694 0.811 1.00 0.00 O ATOM 555 CB GLU A 40 -5.017 10.892 -1.787 1.00 0.00 C ATOM 556 CG GLU A 40 -4.044 11.628 -2.693 1.00 0.00 C ATOM 557 CD GLU A 40 -4.577 12.971 -3.154 1.00 0.00 C ATOM 558 OE1 GLU A 40 -5.336 13.000 -4.144 1.00 0.00 O ATOM 559 OE2 GLU A 40 -4.234 13.992 -2.522 1.00 0.00 O ATOM 0 H GLU A 40 -6.273 9.184 -0.518 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.661 9.282 -1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.718 10.329 -2.403 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.600 11.622 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.103 11.777 -2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.826 11.010 -3.564 1.00 0.00 H new ATOM 566 N PRO A 41 -2.263 10.315 0.416 1.00 0.00 N ATOM 567 CA PRO A 41 -1.356 10.972 1.361 1.00 0.00 C ATOM 568 C PRO A 41 -0.927 12.356 0.886 1.00 0.00 C ATOM 569 O PRO A 41 -1.069 12.690 -0.290 1.00 0.00 O ATOM 570 CB PRO A 41 -0.152 10.028 1.412 1.00 0.00 C ATOM 571 CG PRO A 41 -0.177 9.311 0.106 1.00 0.00 C ATOM 572 CD PRO A 41 -1.628 9.172 -0.262 1.00 0.00 C ATOM 0 HA PRO A 41 -1.827 11.137 2.330 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.779 10.580 1.543 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.230 9.332 2.247 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.367 9.869 -0.656 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.300 8.334 0.188 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.775 9.213 -1.341 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.040 8.223 0.080 1.00 0.00 H new ATOM 580 N ARG A 42 -0.402 13.157 1.808 1.00 0.00 N ATOM 581 CA ARG A 42 0.047 14.505 1.482 1.00 0.00 C ATOM 582 C ARG A 42 1.317 14.466 0.637 1.00 0.00 C ATOM 583 O ARG A 42 2.225 13.677 0.900 1.00 0.00 O ATOM 584 CB ARG A 42 0.297 15.305 2.762 1.00 0.00 C ATOM 585 CG ARG A 42 1.595 14.939 3.465 1.00 0.00 C ATOM 586 CD ARG A 42 1.965 15.968 4.521 1.00 0.00 C ATOM 587 NE ARG A 42 1.180 15.806 5.742 1.00 0.00 N ATOM 588 CZ ARG A 42 1.087 16.738 6.685 1.00 0.00 C ATOM 589 NH1 ARG A 42 1.725 17.892 6.547 1.00 0.00 N ATOM 590 NH2 ARG A 42 0.353 16.516 7.768 1.00 0.00 N ATOM 0 H ARG A 42 -0.277 12.896 2.786 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.738 14.993 0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.312 16.368 2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.535 15.147 3.448 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.494 13.958 3.930 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.398 14.863 2.732 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.025 15.880 4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.810 16.970 4.121 1.00 0.00 H new ATOM 0 HE ARG A 42 0.676 14.930 5.878 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.289 18.067 5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.652 18.605 7.272 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.140 15.630 7.877 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.282 17.232 8.491 1.00 0.00 H new ATOM 604 N CYS A 43 1.372 15.323 -0.377 1.00 0.00 N ATOM 605 CA CYS A 43 2.530 15.386 -1.261 1.00 0.00 C ATOM 606 C CYS A 43 2.547 16.695 -2.043 1.00 0.00 C ATOM 607 O CYS A 43 1.699 16.924 -2.906 1.00 0.00 O ATOM 608 CB CYS A 43 2.525 14.201 -2.228 1.00 0.00 C ATOM 609 SG CYS A 43 1.059 14.115 -3.282 1.00 0.00 S ATOM 0 H CYS A 43 0.629 15.983 -0.607 1.00 0.00 H new ATOM 0 HA CYS A 43 3.428 15.340 -0.645 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.411 14.258 -2.860 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.602 13.277 -1.654 1.00 0.00 H new ATOM 0 HG CYS A 43 1.369 14.489 -4.488 1.00 0.00 H new ATOM 615 N GLU A 44 3.515 17.552 -1.734 1.00 0.00 N ATOM 616 CA GLU A 44 3.639 18.839 -2.406 1.00 0.00 C ATOM 617 C GLU A 44 3.651 18.663 -3.922 1.00 0.00 C ATOM 618 O GLU A 44 3.277 19.569 -4.666 1.00 0.00 O ATOM 619 CB GLU A 44 4.914 19.555 -1.955 1.00 0.00 C ATOM 620 CG GLU A 44 4.776 20.258 -0.615 1.00 0.00 C ATOM 621 CD GLU A 44 3.609 21.226 -0.582 1.00 0.00 C ATOM 622 OE1 GLU A 44 3.810 22.409 -0.928 1.00 0.00 O ATOM 623 OE2 GLU A 44 2.495 20.801 -0.211 1.00 0.00 O ATOM 0 H GLU A 44 4.225 17.378 -1.022 1.00 0.00 H new ATOM 0 HA GLU A 44 2.775 19.446 -2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.725 18.830 -1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.197 20.286 -2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.648 19.513 0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.697 20.798 -0.395 1.00 0.00 H new ATOM 630 N ARG A 45 4.084 17.489 -4.372 1.00 0.00 N ATOM 631 CA ARG A 45 4.147 17.193 -5.798 1.00 0.00 C ATOM 632 C ARG A 45 3.019 16.251 -6.208 1.00 0.00 C ATOM 633 O ARG A 45 2.475 15.504 -5.395 1.00 0.00 O ATOM 634 CB ARG A 45 5.500 16.573 -6.152 1.00 0.00 C ATOM 635 CG ARG A 45 6.643 17.573 -6.169 1.00 0.00 C ATOM 636 CD ARG A 45 6.292 18.807 -6.986 1.00 0.00 C ATOM 637 NE ARG A 45 5.664 19.843 -6.170 1.00 0.00 N ATOM 638 CZ ARG A 45 5.586 21.118 -6.534 1.00 0.00 C ATOM 639 NH1 ARG A 45 6.092 21.512 -7.695 1.00 0.00 N ATOM 640 NH2 ARG A 45 4.999 22.002 -5.737 1.00 0.00 N ATOM 0 H ARG A 45 4.396 16.728 -3.769 1.00 0.00 H new ATOM 0 HA ARG A 45 4.031 18.129 -6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.728 15.786 -5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.428 16.100 -7.131 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.885 17.868 -5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.534 17.102 -6.584 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.196 19.206 -7.446 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.619 18.526 -7.796 1.00 0.00 H new ATOM 0 HE ARG A 45 5.264 19.573 -5.272 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.542 20.835 -8.311 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.031 22.492 -7.972 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.607 21.703 -4.844 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.940 22.981 -6.017 1.00 0.00 H new ATOM 654 N PRO A 46 2.659 16.286 -7.499 1.00 0.00 N ATOM 655 CA PRO A 46 1.593 15.441 -8.047 1.00 0.00 C ATOM 656 C PRO A 46 1.987 13.969 -8.095 1.00 0.00 C ATOM 657 O PRO A 46 3.114 13.629 -8.458 1.00 0.00 O ATOM 658 CB PRO A 46 1.398 15.989 -9.463 1.00 0.00 C ATOM 659 CG PRO A 46 2.706 16.610 -9.812 1.00 0.00 C ATOM 660 CD PRO A 46 3.264 17.152 -8.525 1.00 0.00 C ATOM 0 HA PRO A 46 0.692 15.474 -7.435 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.138 15.195 -10.163 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.591 16.721 -9.497 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.381 15.876 -10.252 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.577 17.405 -10.547 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.353 17.099 -8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.993 18.198 -8.379 1.00 0.00 H new ATOM 668 N LEU A 47 1.053 13.099 -7.728 1.00 0.00 N ATOM 669 CA LEU A 47 1.303 11.661 -7.730 1.00 0.00 C ATOM 670 C LEU A 47 1.089 11.073 -9.121 1.00 0.00 C ATOM 671 O LEU A 47 0.314 11.604 -9.916 1.00 0.00 O ATOM 672 CB LEU A 47 0.388 10.963 -6.722 1.00 0.00 C ATOM 673 CG LEU A 47 0.427 11.506 -5.293 1.00 0.00 C ATOM 674 CD1 LEU A 47 -0.871 11.187 -4.566 1.00 0.00 C ATOM 675 CD2 LEU A 47 1.617 10.934 -4.537 1.00 0.00 C ATOM 0 H LEU A 47 0.116 13.363 -7.425 1.00 0.00 H new ATOM 0 HA LEU A 47 2.342 11.497 -7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.637 11.028 -7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.650 9.905 -6.695 1.00 0.00 H new ATOM 0 HG LEU A 47 0.538 12.589 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.826 11.581 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.707 11.645 -5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.012 10.107 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.629 11.332 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.537 9.848 -4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.540 11.213 -5.046 1.00 0.00 H new ATOM 687 N GLN A 48 1.779 9.974 -9.406 1.00 0.00 N ATOM 688 CA GLN A 48 1.663 9.313 -10.700 1.00 0.00 C ATOM 689 C GLN A 48 0.836 8.037 -10.588 1.00 0.00 C ATOM 690 O GLN A 48 0.242 7.582 -11.565 1.00 0.00 O ATOM 691 CB GLN A 48 3.050 8.989 -11.258 1.00 0.00 C ATOM 692 CG GLN A 48 3.915 10.217 -11.490 1.00 0.00 C ATOM 693 CD GLN A 48 5.206 9.893 -12.214 1.00 0.00 C ATOM 694 OE1 GLN A 48 5.289 8.908 -12.950 1.00 0.00 O ATOM 695 NE2 GLN A 48 6.224 10.721 -12.010 1.00 0.00 N ATOM 0 H GLN A 48 2.424 9.522 -8.758 1.00 0.00 H new ATOM 0 HA GLN A 48 1.155 9.994 -11.383 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.563 8.319 -10.568 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.937 8.451 -12.199 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.352 10.949 -12.069 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.147 10.680 -10.531 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.112 11.525 -11.392 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.118 10.553 -12.471 1.00 0.00 H new ATOM 704 N GLY A 49 0.801 7.464 -9.388 1.00 0.00 N ATOM 705 CA GLY A 49 0.044 6.245 -9.170 1.00 0.00 C ATOM 706 C GLY A 49 0.174 5.728 -7.752 1.00 0.00 C ATOM 707 O GLY A 49 0.240 6.509 -6.802 1.00 0.00 O ATOM 0 H GLY A 49 1.283 7.822 -8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.007 6.429 -9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.387 5.479 -9.866 1.00 0.00 H new ATOM 711 N TYR A 50 0.209 4.408 -7.606 1.00 0.00 N ATOM 712 CA TYR A 50 0.327 3.787 -6.292 1.00 0.00 C ATOM 713 C TYR A 50 0.881 2.370 -6.407 1.00 0.00 C ATOM 714 O TYR A 50 0.853 1.766 -7.479 1.00 0.00 O ATOM 715 CB TYR A 50 -1.033 3.761 -5.593 1.00 0.00 C ATOM 716 CG TYR A 50 -1.455 5.102 -5.037 1.00 0.00 C ATOM 717 CD1 TYR A 50 -0.848 5.628 -3.903 1.00 0.00 C ATOM 718 CD2 TYR A 50 -2.460 5.843 -5.646 1.00 0.00 C ATOM 719 CE1 TYR A 50 -1.231 6.854 -3.392 1.00 0.00 C ATOM 720 CE2 TYR A 50 -2.848 7.069 -5.142 1.00 0.00 C ATOM 721 CZ TYR A 50 -2.231 7.570 -4.015 1.00 0.00 C ATOM 722 OH TYR A 50 -2.615 8.791 -3.510 1.00 0.00 O ATOM 0 H TYR A 50 0.157 3.747 -8.381 1.00 0.00 H new ATOM 0 HA TYR A 50 1.021 4.381 -5.698 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.788 3.416 -6.299 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.001 3.035 -4.781 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.064 5.070 -3.413 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.946 5.454 -6.528 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.750 7.249 -2.510 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.631 7.633 -5.628 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.593 8.857 -3.523 1.00 0.00 H new ATOM 732 N SER A 51 1.382 1.845 -5.293 1.00 0.00 N ATOM 733 CA SER A 51 1.945 0.500 -5.267 1.00 0.00 C ATOM 734 C SER A 51 1.439 -0.278 -4.057 1.00 0.00 C ATOM 735 O SER A 51 1.327 0.265 -2.958 1.00 0.00 O ATOM 736 CB SER A 51 3.473 0.565 -5.244 1.00 0.00 C ATOM 737 OG SER A 51 4.030 -0.682 -4.865 1.00 0.00 O ATOM 0 H SER A 51 1.409 2.331 -4.397 1.00 0.00 H new ATOM 0 HA SER A 51 1.624 -0.019 -6.170 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.843 0.848 -6.229 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.797 1.338 -4.548 1.00 0.00 H new ATOM 0 HG SER A 51 4.999 -0.666 -5.012 1.00 0.00 H new ATOM 743 N VAL A 52 1.133 -1.554 -4.267 1.00 0.00 N ATOM 744 CA VAL A 52 0.640 -2.409 -3.194 1.00 0.00 C ATOM 745 C VAL A 52 1.414 -3.721 -3.136 1.00 0.00 C ATOM 746 O VAL A 52 1.026 -4.710 -3.756 1.00 0.00 O ATOM 747 CB VAL A 52 -0.859 -2.718 -3.367 1.00 0.00 C ATOM 748 CG1 VAL A 52 -1.408 -3.412 -2.130 1.00 0.00 C ATOM 749 CG2 VAL A 52 -1.635 -1.443 -3.661 1.00 0.00 C ATOM 0 H VAL A 52 1.218 -2.019 -5.171 1.00 0.00 H new ATOM 0 HA VAL A 52 0.786 -1.863 -2.262 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.977 -3.392 -4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.468 -3.622 -2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.871 -4.347 -1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.279 -2.765 -1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.692 -1.680 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.511 -0.743 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.259 -0.991 -4.579 1.00 0.00 H new ATOM 759 N GLU A 53 2.512 -3.721 -2.386 1.00 0.00 N ATOM 760 CA GLU A 53 3.342 -4.912 -2.247 1.00 0.00 C ATOM 761 C GLU A 53 2.838 -5.797 -1.110 1.00 0.00 C ATOM 762 O GLU A 53 2.782 -5.371 0.044 1.00 0.00 O ATOM 763 CB GLU A 53 4.799 -4.519 -1.995 1.00 0.00 C ATOM 764 CG GLU A 53 5.557 -4.149 -3.259 1.00 0.00 C ATOM 765 CD GLU A 53 6.829 -3.376 -2.970 1.00 0.00 C ATOM 766 OE1 GLU A 53 6.826 -2.562 -2.023 1.00 0.00 O ATOM 767 OE2 GLU A 53 7.827 -3.585 -3.691 1.00 0.00 O ATOM 0 H GLU A 53 2.847 -2.910 -1.866 1.00 0.00 H new ATOM 0 HA GLU A 53 3.281 -5.476 -3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.825 -3.675 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.310 -5.347 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.805 -5.057 -3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.912 -3.552 -3.904 1.00 0.00 H new ATOM 774 N TYR A 54 2.471 -7.029 -1.446 1.00 0.00 N ATOM 775 CA TYR A 54 1.969 -7.973 -0.455 1.00 0.00 C ATOM 776 C TYR A 54 2.666 -9.324 -0.588 1.00 0.00 C ATOM 777 O TYR A 54 2.944 -9.784 -1.695 1.00 0.00 O ATOM 778 CB TYR A 54 0.457 -8.149 -0.607 1.00 0.00 C ATOM 779 CG TYR A 54 0.059 -8.909 -1.852 1.00 0.00 C ATOM 780 CD1 TYR A 54 -0.056 -8.264 -3.077 1.00 0.00 C ATOM 781 CD2 TYR A 54 -0.202 -10.273 -1.803 1.00 0.00 C ATOM 782 CE1 TYR A 54 -0.421 -8.955 -4.217 1.00 0.00 C ATOM 783 CE2 TYR A 54 -0.566 -10.972 -2.938 1.00 0.00 C ATOM 784 CZ TYR A 54 -0.675 -10.308 -4.142 1.00 0.00 C ATOM 785 OH TYR A 54 -1.037 -11.000 -5.275 1.00 0.00 O ATOM 0 H TYR A 54 2.512 -7.397 -2.397 1.00 0.00 H new ATOM 0 HA TYR A 54 2.183 -7.570 0.535 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.071 -8.673 0.267 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.015 -7.167 -0.624 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.143 -7.204 -3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.119 -10.796 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.507 -8.438 -5.161 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.764 -12.032 -2.883 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.179 -11.943 -5.051 1.00 0.00 H new ATOM 795 N GLN A 55 2.943 -9.954 0.549 1.00 0.00 N ATOM 796 CA GLN A 55 3.606 -11.252 0.561 1.00 0.00 C ATOM 797 C GLN A 55 3.215 -12.052 1.799 1.00 0.00 C ATOM 798 O GLN A 55 2.498 -11.558 2.670 1.00 0.00 O ATOM 799 CB GLN A 55 5.125 -11.073 0.513 1.00 0.00 C ATOM 800 CG GLN A 55 5.721 -10.587 1.825 1.00 0.00 C ATOM 801 CD GLN A 55 7.219 -10.369 1.739 1.00 0.00 C ATOM 802 OE1 GLN A 55 7.744 -9.379 2.249 1.00 0.00 O ATOM 803 NE2 GLN A 55 7.916 -11.296 1.092 1.00 0.00 N ATOM 0 H GLN A 55 2.718 -9.586 1.474 1.00 0.00 H new ATOM 0 HA GLN A 55 3.284 -11.804 -0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.586 -12.023 0.244 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.374 -10.363 -0.275 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.238 -9.654 2.116 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.508 -11.314 2.608 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.439 -12.101 0.685 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.928 -11.203 1.002 1.00 0.00 H new ATOM 812 N LEU A 56 3.691 -13.290 1.871 1.00 0.00 N ATOM 813 CA LEU A 56 3.391 -14.160 3.003 1.00 0.00 C ATOM 814 C LEU A 56 4.097 -13.675 4.265 1.00 0.00 C ATOM 815 O LEU A 56 5.326 -13.692 4.348 1.00 0.00 O ATOM 816 CB LEU A 56 3.810 -15.598 2.692 1.00 0.00 C ATOM 817 CG LEU A 56 2.845 -16.405 1.823 1.00 0.00 C ATOM 818 CD1 LEU A 56 3.500 -17.695 1.354 1.00 0.00 C ATOM 819 CD2 LEU A 56 1.562 -16.703 2.585 1.00 0.00 C ATOM 0 H LEU A 56 4.286 -13.714 1.159 1.00 0.00 H new ATOM 0 HA LEU A 56 2.315 -14.131 3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.780 -15.573 2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.948 -16.127 3.635 1.00 0.00 H new ATOM 0 HG LEU A 56 2.593 -15.810 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.798 -18.256 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.389 -17.460 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.783 -18.295 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.887 -17.278 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.796 -17.278 3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.082 -15.767 2.870 1.00 0.00 H new ATOM 831 N LEU A 57 3.312 -13.244 5.247 1.00 0.00 N ATOM 832 CA LEU A 57 3.862 -12.755 6.507 1.00 0.00 C ATOM 833 C LEU A 57 5.046 -13.608 6.952 1.00 0.00 C ATOM 834 O LEU A 57 6.085 -13.085 7.352 1.00 0.00 O ATOM 835 CB LEU A 57 2.783 -12.756 7.591 1.00 0.00 C ATOM 836 CG LEU A 57 3.016 -11.811 8.770 1.00 0.00 C ATOM 837 CD1 LEU A 57 2.875 -10.362 8.329 1.00 0.00 C ATOM 838 CD2 LEU A 57 2.047 -12.122 9.902 1.00 0.00 C ATOM 0 H LEU A 57 2.294 -13.223 5.195 1.00 0.00 H new ATOM 0 HA LEU A 57 4.211 -11.734 6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.830 -12.499 7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.686 -13.770 7.978 1.00 0.00 H new ATOM 0 HG LEU A 57 4.032 -11.961 9.136 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.044 -9.704 9.181 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.608 -10.145 7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.871 -10.197 7.937 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.227 -11.440 10.733 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.023 -12.001 9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.196 -13.149 10.237 1.00 0.00 H new ATOM 850 N ASN A 58 4.881 -14.925 6.877 1.00 0.00 N ATOM 851 CA ASN A 58 5.938 -15.850 7.270 1.00 0.00 C ATOM 852 C ASN A 58 7.213 -15.590 6.475 1.00 0.00 C ATOM 853 O ASN A 58 8.306 -15.531 7.037 1.00 0.00 O ATOM 854 CB ASN A 58 5.480 -17.296 7.063 1.00 0.00 C ATOM 855 CG ASN A 58 4.796 -17.500 5.725 1.00 0.00 C ATOM 856 OD1 ASN A 58 5.421 -17.384 4.671 1.00 0.00 O ATOM 857 ND2 ASN A 58 3.504 -17.805 5.763 1.00 0.00 N ATOM 0 H ASN A 58 4.027 -15.375 6.548 1.00 0.00 H new ATOM 0 HA ASN A 58 6.152 -15.690 8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.341 -17.960 7.133 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.796 -17.576 7.864 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.989 -17.953 4.895 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.026 -17.891 6.660 1.00 0.00 H new ATOM 864 N GLY A 59 7.065 -15.433 5.163 1.00 0.00 N ATOM 865 CA GLY A 59 8.213 -15.180 4.312 1.00 0.00 C ATOM 866 C GLY A 59 8.178 -15.995 3.034 1.00 0.00 C ATOM 867 O GLY A 59 8.433 -17.199 3.050 1.00 0.00 O ATOM 0 H GLY A 59 6.171 -15.477 4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.250 -14.120 4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.126 -15.410 4.861 1.00 0.00 H new ATOM 871 N GLY A 60 7.860 -15.338 1.923 1.00 0.00 N ATOM 872 CA GLY A 60 7.796 -16.026 0.646 1.00 0.00 C ATOM 873 C GLY A 60 7.740 -15.067 -0.527 1.00 0.00 C ATOM 874 O GLY A 60 8.057 -13.886 -0.386 1.00 0.00 O ATOM 0 H GLY A 60 7.645 -14.342 1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.667 -16.673 0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.917 -16.670 0.627 1.00 0.00 H new ATOM 878 N GLU A 61 7.338 -15.576 -1.687 1.00 0.00 N ATOM 879 CA GLU A 61 7.245 -14.757 -2.889 1.00 0.00 C ATOM 880 C GLU A 61 6.441 -13.488 -2.621 1.00 0.00 C ATOM 881 O GLU A 61 5.407 -13.524 -1.952 1.00 0.00 O ATOM 882 CB GLU A 61 6.601 -15.552 -4.027 1.00 0.00 C ATOM 883 CG GLU A 61 6.627 -14.831 -5.364 1.00 0.00 C ATOM 884 CD GLU A 61 5.740 -15.492 -6.401 1.00 0.00 C ATOM 885 OE1 GLU A 61 6.001 -16.665 -6.743 1.00 0.00 O ATOM 886 OE2 GLU A 61 4.786 -14.838 -6.870 1.00 0.00 O ATOM 0 H GLU A 61 7.072 -16.552 -1.820 1.00 0.00 H new ATOM 0 HA GLU A 61 8.255 -14.471 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.116 -16.507 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.567 -15.774 -3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.307 -13.799 -5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.651 -14.799 -5.735 1.00 0.00 H new ATOM 893 N LEU A 62 6.922 -12.367 -3.148 1.00 0.00 N ATOM 894 CA LEU A 62 6.249 -11.086 -2.966 1.00 0.00 C ATOM 895 C LEU A 62 5.591 -10.627 -4.264 1.00 0.00 C ATOM 896 O LEU A 62 6.184 -10.721 -5.340 1.00 0.00 O ATOM 897 CB LEU A 62 7.243 -10.029 -2.484 1.00 0.00 C ATOM 898 CG LEU A 62 6.644 -8.689 -2.055 1.00 0.00 C ATOM 899 CD1 LEU A 62 7.574 -7.973 -1.088 1.00 0.00 C ATOM 900 CD2 LEU A 62 6.361 -7.818 -3.270 1.00 0.00 C ATOM 0 H LEU A 62 7.775 -12.320 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 62 5.472 -11.216 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.801 -10.441 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.961 -9.844 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 62 5.701 -8.882 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.131 -7.022 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.725 -8.592 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.533 -7.792 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.935 -6.868 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.290 -7.634 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.655 -8.327 -3.926 1.00 0.00 H new ATOM 912 N HIS A 63 4.363 -10.130 -4.156 1.00 0.00 N ATOM 913 CA HIS A 63 3.626 -9.654 -5.321 1.00 0.00 C ATOM 914 C HIS A 63 3.518 -8.132 -5.311 1.00 0.00 C ATOM 915 O HIS A 63 2.945 -7.547 -4.392 1.00 0.00 O ATOM 916 CB HIS A 63 2.230 -10.276 -5.357 1.00 0.00 C ATOM 917 CG HIS A 63 2.242 -11.773 -5.391 1.00 0.00 C ATOM 918 ND1 HIS A 63 1.892 -12.503 -6.507 1.00 0.00 N ATOM 919 CD2 HIS A 63 2.566 -12.677 -4.437 1.00 0.00 C ATOM 920 CE1 HIS A 63 1.998 -13.792 -6.238 1.00 0.00 C ATOM 921 NE2 HIS A 63 2.406 -13.925 -4.989 1.00 0.00 N ATOM 0 H HIS A 63 3.858 -10.046 -3.274 1.00 0.00 H new ATOM 0 HA HIS A 63 4.173 -9.956 -6.214 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.671 -9.945 -4.482 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.698 -9.905 -6.233 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.890 -12.458 -3.430 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.787 -14.600 -6.923 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.575 -14.810 -4.512 1.00 0.00 H new ATOM 929 N ARG A 64 4.073 -7.497 -6.338 1.00 0.00 N ATOM 930 CA ARG A 64 4.041 -6.044 -6.446 1.00 0.00 C ATOM 931 C ARG A 64 2.937 -5.593 -7.398 1.00 0.00 C ATOM 932 O ARG A 64 2.912 -5.985 -8.566 1.00 0.00 O ATOM 933 CB ARG A 64 5.393 -5.516 -6.930 1.00 0.00 C ATOM 934 CG ARG A 64 5.529 -4.006 -6.831 1.00 0.00 C ATOM 935 CD ARG A 64 6.776 -3.510 -7.546 1.00 0.00 C ATOM 936 NE ARG A 64 6.800 -2.055 -7.658 1.00 0.00 N ATOM 937 CZ ARG A 64 7.679 -1.389 -8.400 1.00 0.00 C ATOM 938 NH1 ARG A 64 8.599 -2.047 -9.093 1.00 0.00 N ATOM 939 NH2 ARG A 64 7.637 -0.064 -8.452 1.00 0.00 N ATOM 0 H ARG A 64 4.550 -7.967 -7.107 1.00 0.00 H new ATOM 0 HA ARG A 64 3.833 -5.637 -5.457 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.186 -5.983 -6.345 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.541 -5.818 -7.967 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.648 -3.531 -7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.568 -3.711 -5.782 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.661 -3.847 -7.007 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.823 -3.951 -8.542 1.00 0.00 H new ATOM 0 HE ARG A 64 6.104 -1.520 -7.138 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.633 -3.066 -9.057 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.273 -1.534 -9.662 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.930 0.445 -7.922 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.312 0.446 -9.022 1.00 0.00 H new ATOM 953 N LEU A 65 2.026 -4.770 -6.892 1.00 0.00 N ATOM 954 CA LEU A 65 0.918 -4.266 -7.698 1.00 0.00 C ATOM 955 C LEU A 65 1.061 -2.768 -7.944 1.00 0.00 C ATOM 956 O LEU A 65 1.093 -1.975 -7.004 1.00 0.00 O ATOM 957 CB LEU A 65 -0.415 -4.556 -7.005 1.00 0.00 C ATOM 958 CG LEU A 65 -0.653 -6.008 -6.590 1.00 0.00 C ATOM 959 CD1 LEU A 65 -1.836 -6.104 -5.639 1.00 0.00 C ATOM 960 CD2 LEU A 65 -0.878 -6.883 -7.814 1.00 0.00 C ATOM 0 H LEU A 65 2.032 -4.437 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 65 0.939 -4.777 -8.661 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.483 -3.929 -6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.222 -4.253 -7.672 1.00 0.00 H new ATOM 0 HG LEU A 65 0.235 -6.367 -6.070 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.990 -7.145 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.635 -5.510 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.731 -5.726 -6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.046 -7.913 -7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.749 -6.525 -8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.000 -6.839 -8.459 1.00 0.00 H new ATOM 972 N ASN A 66 1.144 -2.387 -9.214 1.00 0.00 N ATOM 973 CA ASN A 66 1.282 -0.983 -9.584 1.00 0.00 C ATOM 974 C ASN A 66 -0.063 -0.397 -10.004 1.00 0.00 C ATOM 975 O ASN A 66 -0.901 -1.091 -10.580 1.00 0.00 O ATOM 976 CB ASN A 66 2.295 -0.831 -10.721 1.00 0.00 C ATOM 977 CG ASN A 66 3.710 -1.154 -10.282 1.00 0.00 C ATOM 978 OD1 ASN A 66 4.129 -2.311 -10.304 1.00 0.00 O ATOM 979 ND2 ASN A 66 4.452 -0.129 -9.879 1.00 0.00 N ATOM 0 H ASN A 66 1.118 -3.031 -10.005 1.00 0.00 H new ATOM 0 HA ASN A 66 1.640 -0.436 -8.712 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.014 -1.488 -11.544 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.260 0.190 -11.101 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.412 -0.284 -9.571 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.062 0.814 -9.878 1.00 0.00 H new ATOM 986 N ILE A 67 -0.260 0.884 -9.713 1.00 0.00 N ATOM 987 CA ILE A 67 -1.502 1.564 -10.061 1.00 0.00 C ATOM 988 C ILE A 67 -1.246 2.713 -11.030 1.00 0.00 C ATOM 989 O ILE A 67 -0.734 3.769 -10.659 1.00 0.00 O ATOM 990 CB ILE A 67 -2.214 2.111 -8.810 1.00 0.00 C ATOM 991 CG1 ILE A 67 -2.138 1.096 -7.668 1.00 0.00 C ATOM 992 CG2 ILE A 67 -3.663 2.448 -9.131 1.00 0.00 C ATOM 993 CD1 ILE A 67 -3.077 -0.077 -7.839 1.00 0.00 C ATOM 0 H ILE A 67 0.424 1.472 -9.237 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.144 0.824 -10.539 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.710 3.024 -8.493 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.116 0.725 -7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.366 1.600 -6.729 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.154 2.833 -8.237 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.696 3.203 -9.917 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.179 1.550 -9.469 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.969 -0.756 -6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.105 0.283 -7.887 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.835 -0.605 -8.761 1.00 0.00 H new ATOM 1005 N PRO A 68 -1.611 2.505 -12.304 1.00 0.00 N ATOM 1006 CA PRO A 68 -1.433 3.514 -13.353 1.00 0.00 C ATOM 1007 C PRO A 68 -2.368 4.705 -13.176 1.00 0.00 C ATOM 1008 O PRO A 68 -2.389 5.618 -14.002 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.774 2.753 -14.637 1.00 0.00 C ATOM 1010 CG PRO A 68 -2.681 1.656 -14.199 1.00 0.00 C ATOM 1011 CD PRO A 68 -2.227 1.271 -12.818 1.00 0.00 C ATOM 0 HA PRO A 68 -0.429 3.938 -13.345 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.261 3.402 -15.364 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.877 2.358 -15.113 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.719 1.988 -14.190 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.624 0.807 -14.880 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.062 0.950 -12.196 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.514 0.447 -12.845 1.00 0.00 H new ATOM 1019 N ASN A 69 -3.140 4.691 -12.094 1.00 0.00 N ATOM 1020 CA ASN A 69 -4.077 5.771 -11.810 1.00 0.00 C ATOM 1021 C ASN A 69 -3.851 6.333 -10.409 1.00 0.00 C ATOM 1022 O ASN A 69 -4.106 5.674 -9.401 1.00 0.00 O ATOM 1023 CB ASN A 69 -5.518 5.274 -11.946 1.00 0.00 C ATOM 1024 CG ASN A 69 -6.498 6.404 -12.195 1.00 0.00 C ATOM 1025 OD1 ASN A 69 -6.118 7.480 -12.657 1.00 0.00 O ATOM 1026 ND2 ASN A 69 -7.768 6.163 -11.888 1.00 0.00 N ATOM 0 H ASN A 69 -3.135 3.944 -11.400 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.905 6.567 -12.534 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.577 4.558 -12.766 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.803 4.743 -11.038 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.474 6.885 -12.033 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.037 5.256 -11.507 1.00 0.00 H new ATOM 1033 N PRO A 70 -3.361 7.580 -10.343 1.00 0.00 N ATOM 1034 CA PRO A 70 -3.091 8.258 -9.072 1.00 0.00 C ATOM 1035 C PRO A 70 -4.370 8.615 -8.322 1.00 0.00 C ATOM 1036 O PRO A 70 -4.323 9.148 -7.214 1.00 0.00 O ATOM 1037 CB PRO A 70 -2.349 9.527 -9.498 1.00 0.00 C ATOM 1038 CG PRO A 70 -2.799 9.778 -10.895 1.00 0.00 C ATOM 1039 CD PRO A 70 -3.034 8.424 -11.504 1.00 0.00 C ATOM 0 HA PRO A 70 -2.526 7.627 -8.386 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.593 10.366 -8.847 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.269 9.389 -9.449 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.710 10.376 -10.910 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.045 10.332 -11.454 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.849 8.445 -12.228 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.151 8.061 -12.029 1.00 0.00 H new ATOM 1047 N ALA A 71 -5.512 8.318 -8.934 1.00 0.00 N ATOM 1048 CA ALA A 71 -6.804 8.607 -8.323 1.00 0.00 C ATOM 1049 C ALA A 71 -7.400 7.357 -7.685 1.00 0.00 C ATOM 1050 O ALA A 71 -8.188 7.446 -6.745 1.00 0.00 O ATOM 1051 CB ALA A 71 -7.760 9.181 -9.358 1.00 0.00 C ATOM 0 H ALA A 71 -5.569 7.878 -9.852 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.650 9.347 -7.537 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.721 9.392 -8.888 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.345 10.103 -9.765 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.900 8.460 -10.163 1.00 0.00 H new ATOM 1057 N GLN A 72 -7.019 6.194 -8.204 1.00 0.00 N ATOM 1058 CA GLN A 72 -7.519 4.926 -7.685 1.00 0.00 C ATOM 1059 C GLN A 72 -6.847 4.577 -6.361 1.00 0.00 C ATOM 1060 O GLN A 72 -5.716 4.090 -6.336 1.00 0.00 O ATOM 1061 CB GLN A 72 -7.283 3.807 -8.701 1.00 0.00 C ATOM 1062 CG GLN A 72 -7.548 2.416 -8.146 1.00 0.00 C ATOM 1063 CD GLN A 72 -6.918 1.323 -8.986 1.00 0.00 C ATOM 1064 OE1 GLN A 72 -6.851 1.426 -10.211 1.00 0.00 O ATOM 1065 NE2 GLN A 72 -6.451 0.267 -8.330 1.00 0.00 N ATOM 0 H GLN A 72 -6.366 6.104 -8.983 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.590 5.030 -7.511 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.924 3.972 -9.567 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.253 3.859 -9.053 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.162 2.355 -7.129 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.624 2.251 -8.089 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.527 0.223 -7.314 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.016 -0.500 -8.842 1.00 0.00 H new ATOM 1074 N THR A 73 -7.549 4.830 -5.262 1.00 0.00 N ATOM 1075 CA THR A 73 -7.021 4.545 -3.934 1.00 0.00 C ATOM 1076 C THR A 73 -7.533 3.207 -3.414 1.00 0.00 C ATOM 1077 O THR A 73 -7.734 3.033 -2.212 1.00 0.00 O ATOM 1078 CB THR A 73 -7.396 5.651 -2.930 1.00 0.00 C ATOM 1079 OG1 THR A 73 -8.820 5.732 -2.800 1.00 0.00 O ATOM 1080 CG2 THR A 73 -6.846 6.997 -3.376 1.00 0.00 C ATOM 0 H THR A 73 -8.486 5.232 -5.265 1.00 0.00 H new ATOM 0 HA THR A 73 -5.936 4.504 -4.028 1.00 0.00 H new ATOM 0 HB THR A 73 -6.956 5.399 -1.965 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.050 6.436 -2.159 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.124 7.762 -2.651 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.760 6.941 -3.446 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.260 7.254 -4.351 1.00 0.00 H new ATOM 1088 N SER A 74 -7.742 2.263 -4.326 1.00 0.00 N ATOM 1089 CA SER A 74 -8.234 0.941 -3.960 1.00 0.00 C ATOM 1090 C SER A 74 -7.879 -0.087 -5.029 1.00 0.00 C ATOM 1091 O SER A 74 -8.138 0.118 -6.215 1.00 0.00 O ATOM 1092 CB SER A 74 -9.750 0.976 -3.754 1.00 0.00 C ATOM 1093 OG SER A 74 -10.406 1.509 -4.891 1.00 0.00 O ATOM 0 H SER A 74 -7.578 2.390 -5.325 1.00 0.00 H new ATOM 0 HA SER A 74 -7.754 0.649 -3.026 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.117 -0.031 -3.557 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.987 1.579 -2.877 1.00 0.00 H new ATOM 0 HG SER A 74 -9.866 1.338 -5.691 1.00 0.00 H new ATOM 1099 N VAL A 75 -7.283 -1.196 -4.601 1.00 0.00 N ATOM 1100 CA VAL A 75 -6.892 -2.258 -5.521 1.00 0.00 C ATOM 1101 C VAL A 75 -7.355 -3.620 -5.016 1.00 0.00 C ATOM 1102 O VAL A 75 -7.247 -3.924 -3.828 1.00 0.00 O ATOM 1103 CB VAL A 75 -5.366 -2.290 -5.725 1.00 0.00 C ATOM 1104 CG1 VAL A 75 -4.667 -2.753 -4.455 1.00 0.00 C ATOM 1105 CG2 VAL A 75 -5.005 -3.186 -6.900 1.00 0.00 C ATOM 0 H VAL A 75 -7.060 -1.382 -3.623 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.374 -2.044 -6.475 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.025 -1.279 -5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.589 -2.769 -4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.900 -2.067 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.010 -3.755 -4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.923 -3.197 -7.030 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.358 -4.199 -6.707 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.475 -2.805 -7.806 1.00 0.00 H new ATOM 1115 N VAL A 76 -7.872 -4.438 -5.927 1.00 0.00 N ATOM 1116 CA VAL A 76 -8.350 -5.770 -5.575 1.00 0.00 C ATOM 1117 C VAL A 76 -7.245 -6.809 -5.726 1.00 0.00 C ATOM 1118 O VAL A 76 -6.709 -7.008 -6.816 1.00 0.00 O ATOM 1119 CB VAL A 76 -9.550 -6.184 -6.448 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -9.994 -7.599 -6.109 1.00 0.00 C ATOM 1121 CG2 VAL A 76 -10.698 -5.200 -6.275 1.00 0.00 C ATOM 0 H VAL A 76 -7.971 -4.202 -6.914 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.665 -5.728 -4.532 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.241 -6.167 -7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.842 -7.874 -6.736 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.171 -8.291 -6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.287 -7.647 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.538 -5.507 -6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.009 -5.184 -5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.371 -4.204 -6.572 1.00 0.00 H new ATOM 1131 N VAL A 77 -6.907 -7.470 -4.623 1.00 0.00 N ATOM 1132 CA VAL A 77 -5.866 -8.490 -4.631 1.00 0.00 C ATOM 1133 C VAL A 77 -6.468 -9.890 -4.684 1.00 0.00 C ATOM 1134 O VAL A 77 -7.251 -10.272 -3.815 1.00 0.00 O ATOM 1135 CB VAL A 77 -4.961 -8.379 -3.390 1.00 0.00 C ATOM 1136 CG1 VAL A 77 -3.931 -9.498 -3.378 1.00 0.00 C ATOM 1137 CG2 VAL A 77 -4.283 -7.018 -3.345 1.00 0.00 C ATOM 0 H VAL A 77 -7.340 -7.317 -3.712 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.266 -8.322 -5.525 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.581 -8.480 -2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.301 -9.403 -2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.441 -10.461 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.312 -9.433 -4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.647 -6.957 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.675 -6.885 -4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.040 -6.235 -3.302 1.00 0.00 H new ATOM 1147 N GLU A 78 -6.097 -10.649 -5.710 1.00 0.00 N ATOM 1148 CA GLU A 78 -6.602 -12.007 -5.877 1.00 0.00 C ATOM 1149 C GLU A 78 -5.454 -12.996 -6.060 1.00 0.00 C ATOM 1150 O GLU A 78 -4.283 -12.620 -6.006 1.00 0.00 O ATOM 1151 CB GLU A 78 -7.549 -12.080 -7.076 1.00 0.00 C ATOM 1152 CG GLU A 78 -8.772 -11.188 -6.942 1.00 0.00 C ATOM 1153 CD GLU A 78 -9.796 -11.434 -8.032 1.00 0.00 C ATOM 1154 OE1 GLU A 78 -9.704 -10.781 -9.092 1.00 0.00 O ATOM 1155 OE2 GLU A 78 -10.691 -12.280 -7.824 1.00 0.00 O ATOM 0 H GLU A 78 -5.449 -10.347 -6.438 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.150 -12.276 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.003 -11.800 -7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.875 -13.112 -7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.235 -11.356 -5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.460 -10.144 -6.971 1.00 0.00 H new ATOM 1162 N ASP A 79 -5.799 -14.260 -6.276 1.00 0.00 N ATOM 1163 CA ASP A 79 -4.799 -15.303 -6.468 1.00 0.00 C ATOM 1164 C ASP A 79 -3.939 -15.469 -5.219 1.00 0.00 C ATOM 1165 O ASP A 79 -2.711 -15.521 -5.300 1.00 0.00 O ATOM 1166 CB ASP A 79 -3.913 -14.976 -7.672 1.00 0.00 C ATOM 1167 CG ASP A 79 -4.476 -15.520 -8.970 1.00 0.00 C ATOM 1168 OD1 ASP A 79 -5.534 -15.025 -9.411 1.00 0.00 O ATOM 1169 OD2 ASP A 79 -3.860 -16.442 -9.544 1.00 0.00 O ATOM 0 H ASP A 79 -6.764 -14.587 -6.323 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.321 -16.241 -6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.800 -13.895 -7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.918 -15.389 -7.510 1.00 0.00 H new ATOM 1174 N LEU A 80 -4.592 -15.550 -4.065 1.00 0.00 N ATOM 1175 CA LEU A 80 -3.888 -15.708 -2.797 1.00 0.00 C ATOM 1176 C LEU A 80 -4.082 -17.114 -2.238 1.00 0.00 C ATOM 1177 O LEU A 80 -4.732 -17.956 -2.859 1.00 0.00 O ATOM 1178 CB LEU A 80 -4.379 -14.672 -1.785 1.00 0.00 C ATOM 1179 CG LEU A 80 -4.432 -13.225 -2.277 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -5.542 -12.461 -1.571 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -3.091 -12.540 -2.064 1.00 0.00 C ATOM 0 H LEU A 80 -5.608 -15.509 -3.981 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.825 -15.553 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.378 -14.960 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.731 -14.713 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.648 -13.232 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.564 -11.433 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.500 -12.939 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.358 -12.462 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.147 -11.511 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.845 -12.544 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.318 -13.073 -2.617 1.00 0.00 H new ATOM 1193 N LEU A 81 -3.517 -17.360 -1.061 1.00 0.00 N ATOM 1194 CA LEU A 81 -3.630 -18.664 -0.417 1.00 0.00 C ATOM 1195 C LEU A 81 -4.580 -18.602 0.775 1.00 0.00 C ATOM 1196 O LEU A 81 -4.589 -17.639 1.543 1.00 0.00 O ATOM 1197 CB LEU A 81 -2.253 -19.151 0.039 1.00 0.00 C ATOM 1198 CG LEU A 81 -1.307 -19.620 -1.067 1.00 0.00 C ATOM 1199 CD1 LEU A 81 0.128 -19.653 -0.563 1.00 0.00 C ATOM 1200 CD2 LEU A 81 -1.726 -20.990 -1.581 1.00 0.00 C ATOM 0 H LEU A 81 -2.977 -16.674 -0.534 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.035 -19.367 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.767 -18.344 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.394 -19.973 0.741 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.364 -18.911 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.787 -19.989 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.425 -18.654 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.202 -20.340 0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.042 -21.308 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.698 -21.710 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.738 -20.934 -1.981 1.00 0.00 H new ATOM 1212 N PRO A 82 -5.397 -19.653 0.936 1.00 0.00 N ATOM 1213 CA PRO A 82 -6.365 -19.742 2.034 1.00 0.00 C ATOM 1214 C PRO A 82 -5.689 -19.936 3.387 1.00 0.00 C ATOM 1215 O PRO A 82 -4.655 -20.595 3.486 1.00 0.00 O ATOM 1216 CB PRO A 82 -7.199 -20.973 1.672 1.00 0.00 C ATOM 1217 CG PRO A 82 -6.301 -21.803 0.822 1.00 0.00 C ATOM 1218 CD PRO A 82 -5.441 -20.834 0.059 1.00 0.00 C ATOM 0 HA PRO A 82 -6.951 -18.829 2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.512 -21.515 2.564 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.105 -20.693 1.135 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.691 -22.469 1.433 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.877 -22.432 0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.445 -21.237 -0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.870 -20.596 -0.914 1.00 0.00 H new ATOM 1226 N ASN A 83 -6.281 -19.358 4.427 1.00 0.00 N ATOM 1227 CA ASN A 83 -5.735 -19.468 5.776 1.00 0.00 C ATOM 1228 C ASN A 83 -4.246 -19.134 5.789 1.00 0.00 C ATOM 1229 O ASN A 83 -3.436 -19.882 6.337 1.00 0.00 O ATOM 1230 CB ASN A 83 -5.958 -20.878 6.325 1.00 0.00 C ATOM 1231 CG ASN A 83 -7.412 -21.143 6.664 1.00 0.00 C ATOM 1232 OD1 ASN A 83 -8.307 -20.783 5.752 1.00 0.00 O flip ATOM 1233 ND2 ASN A 83 -7.726 -21.666 7.734 1.00 0.00 N flip ATOM 0 H ASN A 83 -7.138 -18.809 4.362 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.255 -18.752 6.412 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.620 -21.609 5.590 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.348 -21.018 7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.004 -21.926 8.406 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.708 -21.839 7.948 1.00 0.00 H new ATOM 1240 N HIS A 84 -3.893 -18.005 5.181 1.00 0.00 N ATOM 1241 CA HIS A 84 -2.502 -17.571 5.124 1.00 0.00 C ATOM 1242 C HIS A 84 -2.393 -16.065 5.341 1.00 0.00 C ATOM 1243 O HIS A 84 -3.082 -15.283 4.687 1.00 0.00 O ATOM 1244 CB HIS A 84 -1.882 -17.950 3.779 1.00 0.00 C ATOM 1245 CG HIS A 84 -1.276 -19.320 3.763 1.00 0.00 C ATOM 1246 ND1 HIS A 84 -2.001 -20.460 3.488 1.00 0.00 N ATOM 1247 CD2 HIS A 84 -0.006 -19.729 3.988 1.00 0.00 C ATOM 1248 CE1 HIS A 84 -1.203 -21.512 3.546 1.00 0.00 C ATOM 1249 NE2 HIS A 84 0.013 -21.095 3.848 1.00 0.00 N ATOM 0 H HIS A 84 -4.551 -17.375 4.722 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.957 -18.076 5.922 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.648 -17.892 3.006 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.115 -17.219 3.523 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -2.998 -20.487 3.273 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.836 -19.098 4.232 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.496 -22.538 3.376 1.00 0.00 H new ATOM 1257 N SER A 85 -1.524 -15.666 6.264 1.00 0.00 N ATOM 1258 CA SER A 85 -1.328 -14.254 6.571 1.00 0.00 C ATOM 1259 C SER A 85 -0.504 -13.571 5.484 1.00 0.00 C ATOM 1260 O SER A 85 0.440 -14.152 4.948 1.00 0.00 O ATOM 1261 CB SER A 85 -0.637 -14.096 7.927 1.00 0.00 C ATOM 1262 OG SER A 85 -1.349 -14.777 8.945 1.00 0.00 O ATOM 0 H SER A 85 -0.944 -16.301 6.813 1.00 0.00 H new ATOM 0 HA SER A 85 -2.307 -13.777 6.613 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.380 -14.484 7.868 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.560 -13.038 8.178 1.00 0.00 H new ATOM 0 HG SER A 85 -0.886 -14.662 9.801 1.00 0.00 H new ATOM 1268 N TYR A 86 -0.869 -12.334 5.164 1.00 0.00 N ATOM 1269 CA TYR A 86 -0.165 -11.572 4.139 1.00 0.00 C ATOM 1270 C TYR A 86 0.029 -10.123 4.576 1.00 0.00 C ATOM 1271 O TYR A 86 -0.932 -9.427 4.905 1.00 0.00 O ATOM 1272 CB TYR A 86 -0.937 -11.619 2.819 1.00 0.00 C ATOM 1273 CG TYR A 86 -0.703 -12.886 2.027 1.00 0.00 C ATOM 1274 CD1 TYR A 86 0.352 -12.982 1.129 1.00 0.00 C ATOM 1275 CD2 TYR A 86 -1.538 -13.986 2.177 1.00 0.00 C ATOM 1276 CE1 TYR A 86 0.569 -14.137 0.402 1.00 0.00 C ATOM 1277 CE2 TYR A 86 -1.328 -15.146 1.456 1.00 0.00 C ATOM 1278 CZ TYR A 86 -0.274 -15.216 0.569 1.00 0.00 C ATOM 1279 OH TYR A 86 -0.061 -16.369 -0.152 1.00 0.00 O ATOM 0 H TYR A 86 -1.647 -11.838 5.599 1.00 0.00 H new ATOM 0 HA TYR A 86 0.816 -12.024 3.995 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.003 -11.522 3.027 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.652 -10.761 2.210 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.014 -12.139 0.997 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.366 -13.934 2.869 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.394 -14.195 -0.293 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.985 -15.993 1.586 1.00 0.00 H new ATOM 0 HH TYR A 86 0.896 -16.466 -0.339 1.00 0.00 H new ATOM 1289 N VAL A 87 1.280 -9.674 4.575 1.00 0.00 N ATOM 1290 CA VAL A 87 1.603 -8.308 4.969 1.00 0.00 C ATOM 1291 C VAL A 87 1.515 -7.358 3.779 1.00 0.00 C ATOM 1292 O VAL A 87 2.397 -7.338 2.921 1.00 0.00 O ATOM 1293 CB VAL A 87 3.013 -8.218 5.580 1.00 0.00 C ATOM 1294 CG1 VAL A 87 4.053 -8.748 4.604 1.00 0.00 C ATOM 1295 CG2 VAL A 87 3.329 -6.786 5.983 1.00 0.00 C ATOM 0 H VAL A 87 2.087 -10.237 4.306 1.00 0.00 H new ATOM 0 HA VAL A 87 0.871 -8.014 5.721 1.00 0.00 H new ATOM 0 HB VAL A 87 3.042 -8.838 6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.043 -8.676 5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.835 -9.790 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.027 -8.158 3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.330 -6.741 6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.282 -6.142 5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.602 -6.447 6.721 1.00 0.00 H new ATOM 1305 N PHE A 88 0.445 -6.571 3.736 1.00 0.00 N ATOM 1306 CA PHE A 88 0.241 -5.618 2.651 1.00 0.00 C ATOM 1307 C PHE A 88 0.899 -4.279 2.972 1.00 0.00 C ATOM 1308 O PHE A 88 0.625 -3.674 4.009 1.00 0.00 O ATOM 1309 CB PHE A 88 -1.255 -5.416 2.396 1.00 0.00 C ATOM 1310 CG PHE A 88 -1.915 -6.594 1.738 1.00 0.00 C ATOM 1311 CD1 PHE A 88 -2.039 -7.799 2.410 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -2.412 -6.495 0.449 1.00 0.00 C ATOM 1313 CE1 PHE A 88 -2.646 -8.885 1.807 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -3.020 -7.578 -0.159 1.00 0.00 C ATOM 1315 CZ PHE A 88 -3.138 -8.773 0.521 1.00 0.00 C ATOM 0 H PHE A 88 -0.294 -6.574 4.439 1.00 0.00 H new ATOM 0 HA PHE A 88 0.705 -6.024 1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.753 -5.213 3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.393 -4.535 1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.657 -7.891 3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.324 -5.562 -0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.735 -9.820 2.341 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.402 -7.489 -1.165 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.614 -9.619 0.049 1.00 0.00 H new ATOM 1325 N ARG A 89 1.767 -3.824 2.076 1.00 0.00 N ATOM 1326 CA ARG A 89 2.466 -2.558 2.264 1.00 0.00 C ATOM 1327 C ARG A 89 2.187 -1.605 1.105 1.00 0.00 C ATOM 1328 O ARG A 89 2.855 -1.654 0.072 1.00 0.00 O ATOM 1329 CB ARG A 89 3.972 -2.796 2.390 1.00 0.00 C ATOM 1330 CG ARG A 89 4.356 -3.639 3.595 1.00 0.00 C ATOM 1331 CD ARG A 89 5.740 -3.275 4.112 1.00 0.00 C ATOM 1332 NE ARG A 89 6.301 -4.323 4.959 1.00 0.00 N ATOM 1333 CZ ARG A 89 6.805 -5.458 4.488 1.00 0.00 C ATOM 1334 NH1 ARG A 89 6.819 -5.689 3.182 1.00 0.00 N ATOM 1335 NH2 ARG A 89 7.298 -6.364 5.322 1.00 0.00 N ATOM 0 H ARG A 89 2.004 -4.312 1.212 1.00 0.00 H new ATOM 0 HA ARG A 89 2.098 -2.102 3.183 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.331 -3.286 1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.479 -1.833 2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.622 -3.498 4.388 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.334 -4.695 3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.406 -3.095 3.268 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.683 -2.344 4.677 1.00 0.00 H new ATOM 0 HE ARG A 89 6.306 -4.176 5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.442 -4.994 2.537 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.207 -6.561 2.823 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.290 -6.190 6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.685 -7.235 4.958 1.00 0.00 H new ATOM 1349 N VAL A 90 1.194 -0.739 1.284 1.00 0.00 N ATOM 1350 CA VAL A 90 0.827 0.226 0.255 1.00 0.00 C ATOM 1351 C VAL A 90 1.696 1.475 0.336 1.00 0.00 C ATOM 1352 O VAL A 90 2.246 1.794 1.391 1.00 0.00 O ATOM 1353 CB VAL A 90 -0.653 0.635 0.373 1.00 0.00 C ATOM 1354 CG1 VAL A 90 -0.979 1.749 -0.610 1.00 0.00 C ATOM 1355 CG2 VAL A 90 -1.558 -0.567 0.148 1.00 0.00 C ATOM 0 H VAL A 90 0.630 -0.686 2.132 1.00 0.00 H new ATOM 0 HA VAL A 90 0.987 -0.261 -0.707 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.829 1.009 1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.029 2.025 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.355 2.617 -0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.787 1.405 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.600 -0.259 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.382 -0.974 -0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.341 -1.330 0.895 1.00 0.00 H new ATOM 1365 N ARG A 91 1.817 2.180 -0.784 1.00 0.00 N ATOM 1366 CA ARG A 91 2.621 3.394 -0.840 1.00 0.00 C ATOM 1367 C ARG A 91 2.278 4.217 -2.079 1.00 0.00 C ATOM 1368 O ARG A 91 1.660 3.715 -3.018 1.00 0.00 O ATOM 1369 CB ARG A 91 4.110 3.046 -0.843 1.00 0.00 C ATOM 1370 CG ARG A 91 4.508 2.080 -1.946 1.00 0.00 C ATOM 1371 CD ARG A 91 6.017 2.039 -2.134 1.00 0.00 C ATOM 1372 NE ARG A 91 6.407 1.176 -3.246 1.00 0.00 N ATOM 1373 CZ ARG A 91 7.661 0.812 -3.489 1.00 0.00 C ATOM 1374 NH1 ARG A 91 8.641 1.233 -2.702 1.00 0.00 N ATOM 1375 NH2 ARG A 91 7.936 0.025 -4.521 1.00 0.00 N ATOM 0 H ARG A 91 1.368 1.931 -1.665 1.00 0.00 H new ATOM 0 HA ARG A 91 2.396 3.989 0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.689 3.964 -0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.375 2.612 0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.143 1.081 -1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.032 2.377 -2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.388 3.049 -2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.487 1.683 -1.217 1.00 0.00 H new ATOM 0 HE ARG A 91 5.676 0.834 -3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.433 1.838 -1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.603 0.952 -2.891 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.184 -0.301 -5.128 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.899 -0.254 -4.707 1.00 0.00 H new ATOM 1389 N ALA A 92 2.683 5.483 -2.073 1.00 0.00 N ATOM 1390 CA ALA A 92 2.420 6.374 -3.197 1.00 0.00 C ATOM 1391 C ALA A 92 3.716 6.785 -3.886 1.00 0.00 C ATOM 1392 O ALA A 92 4.790 6.733 -3.289 1.00 0.00 O ATOM 1393 CB ALA A 92 1.657 7.603 -2.727 1.00 0.00 C ATOM 0 H ALA A 92 3.194 5.914 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 92 1.809 5.835 -3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.467 8.260 -3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.708 7.296 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.248 8.135 -1.981 1.00 0.00 H new ATOM 1399 N GLN A 93 3.607 7.191 -5.147 1.00 0.00 N ATOM 1400 CA GLN A 93 4.772 7.609 -5.918 1.00 0.00 C ATOM 1401 C GLN A 93 4.571 9.007 -6.493 1.00 0.00 C ATOM 1402 O GLN A 93 3.553 9.289 -7.125 1.00 0.00 O ATOM 1403 CB GLN A 93 5.046 6.615 -7.047 1.00 0.00 C ATOM 1404 CG GLN A 93 6.128 7.073 -8.012 1.00 0.00 C ATOM 1405 CD GLN A 93 5.932 6.524 -9.412 1.00 0.00 C ATOM 1406 OE1 GLN A 93 5.544 7.249 -10.328 1.00 0.00 O ATOM 1407 NE2 GLN A 93 6.202 5.235 -9.584 1.00 0.00 N ATOM 0 H GLN A 93 2.724 7.239 -5.656 1.00 0.00 H new ATOM 0 HA GLN A 93 5.631 7.632 -5.247 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.338 5.658 -6.614 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.124 6.445 -7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.137 8.162 -8.051 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.102 6.759 -7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.521 4.671 -8.796 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.090 4.809 -10.504 1.00 0.00 H new ATOM 1416 N SER A 94 5.548 9.880 -6.270 1.00 0.00 N ATOM 1417 CA SER A 94 5.476 11.251 -6.762 1.00 0.00 C ATOM 1418 C SER A 94 6.737 11.615 -7.541 1.00 0.00 C ATOM 1419 O SER A 94 7.689 10.837 -7.598 1.00 0.00 O ATOM 1420 CB SER A 94 5.283 12.224 -5.598 1.00 0.00 C ATOM 1421 OG SER A 94 6.503 12.452 -4.916 1.00 0.00 O ATOM 0 H SER A 94 6.399 9.662 -5.752 1.00 0.00 H new ATOM 0 HA SER A 94 4.621 11.326 -7.433 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.890 13.169 -5.972 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.544 11.823 -4.904 1.00 0.00 H new ATOM 0 HG SER A 94 6.492 13.346 -4.516 1.00 0.00 H new ATOM 1427 N GLN A 95 6.734 12.803 -8.137 1.00 0.00 N ATOM 1428 CA GLN A 95 7.877 13.270 -8.912 1.00 0.00 C ATOM 1429 C GLN A 95 9.188 12.888 -8.234 1.00 0.00 C ATOM 1430 O GLN A 95 10.125 12.429 -8.887 1.00 0.00 O ATOM 1431 CB GLN A 95 7.808 14.787 -9.098 1.00 0.00 C ATOM 1432 CG GLN A 95 9.037 15.374 -9.774 1.00 0.00 C ATOM 1433 CD GLN A 95 8.724 16.628 -10.567 1.00 0.00 C ATOM 1434 OE1 GLN A 95 8.469 17.689 -9.996 1.00 0.00 O ATOM 1435 NE2 GLN A 95 8.741 16.512 -11.890 1.00 0.00 N ATOM 0 H GLN A 95 5.954 13.459 -8.098 1.00 0.00 H new ATOM 0 HA GLN A 95 7.842 12.789 -9.889 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.926 15.032 -9.690 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.679 15.259 -8.124 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.787 15.605 -9.018 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.473 14.628 -10.438 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.958 15.613 -12.320 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.538 17.322 -12.476 1.00 0.00 H new ATOM 1444 N GLU A 96 9.247 13.080 -6.920 1.00 0.00 N ATOM 1445 CA GLU A 96 10.445 12.756 -6.154 1.00 0.00 C ATOM 1446 C GLU A 96 10.721 11.256 -6.184 1.00 0.00 C ATOM 1447 O GLU A 96 11.778 10.817 -6.635 1.00 0.00 O ATOM 1448 CB GLU A 96 10.295 13.229 -4.707 1.00 0.00 C ATOM 1449 CG GLU A 96 10.745 14.664 -4.486 1.00 0.00 C ATOM 1450 CD GLU A 96 12.237 14.845 -4.687 1.00 0.00 C ATOM 1451 OE1 GLU A 96 12.671 14.930 -5.856 1.00 0.00 O ATOM 1452 OE2 GLU A 96 12.970 14.902 -3.678 1.00 0.00 O ATOM 0 H GLU A 96 8.480 13.458 -6.364 1.00 0.00 H new ATOM 0 HA GLU A 96 11.289 13.272 -6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.251 13.135 -4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.873 12.572 -4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.208 15.319 -5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.478 14.973 -3.475 1.00 0.00 H new ATOM 1459 N GLY A 97 9.761 10.473 -5.700 1.00 0.00 N ATOM 1460 CA GLY A 97 9.919 9.031 -5.679 1.00 0.00 C ATOM 1461 C GLY A 97 8.983 8.359 -4.694 1.00 0.00 C ATOM 1462 O GLY A 97 8.075 8.994 -4.159 1.00 0.00 O ATOM 0 H GLY A 97 8.876 10.812 -5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.736 8.634 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.949 8.785 -5.422 1.00 0.00 H new ATOM 1466 N TRP A 98 9.204 7.072 -4.455 1.00 0.00 N ATOM 1467 CA TRP A 98 8.372 6.313 -3.529 1.00 0.00 C ATOM 1468 C TRP A 98 8.683 6.688 -2.084 1.00 0.00 C ATOM 1469 O TRP A 98 9.760 6.384 -1.573 1.00 0.00 O ATOM 1470 CB TRP A 98 8.581 4.812 -3.735 1.00 0.00 C ATOM 1471 CG TRP A 98 8.054 4.314 -5.047 1.00 0.00 C ATOM 1472 CD1 TRP A 98 8.787 3.986 -6.153 1.00 0.00 C ATOM 1473 CD2 TRP A 98 6.683 4.089 -5.391 1.00 0.00 C ATOM 1474 NE1 TRP A 98 7.953 3.571 -7.163 1.00 0.00 N ATOM 1475 CE2 TRP A 98 6.657 3.624 -6.721 1.00 0.00 C ATOM 1476 CE3 TRP A 98 5.474 4.233 -4.705 1.00 0.00 C ATOM 1477 CZ2 TRP A 98 5.470 3.305 -7.374 1.00 0.00 C ATOM 1478 CZ3 TRP A 98 4.297 3.916 -5.355 1.00 0.00 C ATOM 1479 CH2 TRP A 98 4.302 3.456 -6.679 1.00 0.00 C ATOM 0 H TRP A 98 9.952 6.532 -4.890 1.00 0.00 H new ATOM 0 HA TRP A 98 7.330 6.559 -3.732 1.00 0.00 H new ATOM 0 HB2 TRP A 98 9.646 4.588 -3.671 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.092 4.270 -2.926 1.00 0.00 H new ATOM 0 HD1 TRP A 98 9.863 4.044 -6.223 1.00 0.00 H new ATOM 0 HE1 TRP A 98 8.250 3.272 -8.092 1.00 0.00 H new ATOM 0 HE3 TRP A 98 5.460 4.586 -3.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 5.471 2.951 -8.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 3.357 4.024 -4.834 1.00 0.00 H new ATOM 0 HH2 TRP A 98 3.365 3.216 -7.160 1.00 0.00 H new ATOM 1490 N GLY A 99 7.734 7.350 -1.431 1.00 0.00 N ATOM 1491 CA GLY A 99 7.927 7.756 -0.051 1.00 0.00 C ATOM 1492 C GLY A 99 7.820 6.593 0.916 1.00 0.00 C ATOM 1493 O GLY A 99 8.483 5.570 0.742 1.00 0.00 O ATOM 0 H GLY A 99 6.834 7.613 -1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.907 8.223 0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.185 8.511 0.210 1.00 0.00 H new ATOM 1497 N ARG A 100 6.985 6.750 1.938 1.00 0.00 N ATOM 1498 CA ARG A 100 6.796 5.706 2.937 1.00 0.00 C ATOM 1499 C ARG A 100 5.695 4.739 2.512 1.00 0.00 C ATOM 1500 O ARG A 100 5.025 4.953 1.502 1.00 0.00 O ATOM 1501 CB ARG A 100 6.451 6.324 4.293 1.00 0.00 C ATOM 1502 CG ARG A 100 7.644 6.945 5.000 1.00 0.00 C ATOM 1503 CD ARG A 100 8.641 5.887 5.447 1.00 0.00 C ATOM 1504 NE ARG A 100 9.616 5.578 4.404 1.00 0.00 N ATOM 1505 CZ ARG A 100 10.702 6.308 4.174 1.00 0.00 C ATOM 1506 NH1 ARG A 100 10.950 7.383 4.910 1.00 0.00 N ATOM 1507 NH2 ARG A 100 11.542 5.964 3.207 1.00 0.00 N ATOM 0 H ARG A 100 6.429 7.590 2.096 1.00 0.00 H new ATOM 0 HA ARG A 100 7.730 5.150 3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.686 7.087 4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.019 5.555 4.934 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.137 7.651 4.332 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.301 7.511 5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 100 9.162 6.234 6.339 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.106 4.979 5.724 1.00 0.00 H new ATOM 0 HE ARG A 100 9.454 4.757 3.821 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.306 7.651 5.655 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.784 7.942 4.732 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.355 5.138 2.639 1.00 0.00 H new ATOM 0 HH22 ARG A 100 12.375 6.525 3.032 1.00 0.00 H new ATOM 1521 N GLU A 101 5.514 3.676 3.289 1.00 0.00 N ATOM 1522 CA GLU A 101 4.495 2.677 2.992 1.00 0.00 C ATOM 1523 C GLU A 101 3.860 2.148 4.275 1.00 0.00 C ATOM 1524 O GLU A 101 4.558 1.713 5.191 1.00 0.00 O ATOM 1525 CB GLU A 101 5.101 1.519 2.195 1.00 0.00 C ATOM 1526 CG GLU A 101 5.948 0.579 3.036 1.00 0.00 C ATOM 1527 CD GLU A 101 6.931 1.317 3.924 1.00 0.00 C ATOM 1528 OE1 GLU A 101 7.747 2.094 3.387 1.00 0.00 O ATOM 1529 OE2 GLU A 101 6.885 1.116 5.156 1.00 0.00 O ATOM 0 H GLU A 101 6.060 3.485 4.129 1.00 0.00 H new ATOM 0 HA GLU A 101 3.719 3.154 2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.297 0.950 1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.714 1.925 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.295 -0.036 3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.495 -0.098 2.379 1.00 0.00 H new ATOM 1536 N ARG A 102 2.533 2.189 4.332 1.00 0.00 N ATOM 1537 CA ARG A 102 1.804 1.716 5.502 1.00 0.00 C ATOM 1538 C ARG A 102 1.709 0.193 5.505 1.00 0.00 C ATOM 1539 O ARG A 102 1.526 -0.429 4.459 1.00 0.00 O ATOM 1540 CB ARG A 102 0.401 2.325 5.536 1.00 0.00 C ATOM 1541 CG ARG A 102 -0.450 1.830 6.694 1.00 0.00 C ATOM 1542 CD ARG A 102 -0.302 2.723 7.916 1.00 0.00 C ATOM 1543 NE ARG A 102 -0.567 2.000 9.157 1.00 0.00 N ATOM 1544 CZ ARG A 102 0.355 1.303 9.813 1.00 0.00 C ATOM 1545 NH1 ARG A 102 1.595 1.236 9.348 1.00 0.00 N ATOM 1546 NH2 ARG A 102 0.037 0.673 10.936 1.00 0.00 N ATOM 0 H ARG A 102 1.941 2.545 3.582 1.00 0.00 H new ATOM 0 HA ARG A 102 2.351 2.030 6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.486 3.410 5.597 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.108 2.097 4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.496 1.798 6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.161 0.811 6.950 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.707 3.134 7.944 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.988 3.566 7.834 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.511 2.032 9.541 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.843 1.720 8.485 1.00 0.00 H new ATOM 0 HH12 ARG A 102 2.301 0.700 9.853 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.916 0.723 11.297 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.745 0.138 11.439 1.00 0.00 H new ATOM 1560 N GLU A 103 1.836 -0.401 6.688 1.00 0.00 N ATOM 1561 CA GLU A 103 1.765 -1.851 6.825 1.00 0.00 C ATOM 1562 C GLU A 103 0.351 -2.295 7.187 1.00 0.00 C ATOM 1563 O GLU A 103 -0.302 -1.693 8.038 1.00 0.00 O ATOM 1564 CB GLU A 103 2.752 -2.332 7.892 1.00 0.00 C ATOM 1565 CG GLU A 103 3.258 -3.746 7.658 1.00 0.00 C ATOM 1566 CD GLU A 103 3.860 -4.363 8.905 1.00 0.00 C ATOM 1567 OE1 GLU A 103 3.108 -4.998 9.674 1.00 0.00 O ATOM 1568 OE2 GLU A 103 5.082 -4.212 9.112 1.00 0.00 O ATOM 0 H GLU A 103 1.988 0.099 7.564 1.00 0.00 H new ATOM 0 HA GLU A 103 2.031 -2.295 5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.602 -1.651 7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.271 -2.284 8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.435 -4.370 7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.006 -3.734 6.865 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.116 -3.354 6.533 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.449 -3.862 6.799 1.00 0.00 C ATOM 1577 C GLY A 104 -1.557 -5.356 6.569 1.00 0.00 C ATOM 1578 O GLY A 104 -1.853 -5.802 5.460 1.00 0.00 O ATOM 0 H GLY A 104 0.405 -3.869 5.824 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.722 -3.636 7.830 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.165 -3.346 6.159 1.00 0.00 H new ATOM 1582 N VAL A 105 -1.316 -6.134 7.620 1.00 0.00 N ATOM 1583 CA VAL A 105 -1.387 -7.587 7.528 1.00 0.00 C ATOM 1584 C VAL A 105 -2.832 -8.070 7.574 1.00 0.00 C ATOM 1585 O VAL A 105 -3.673 -7.483 8.256 1.00 0.00 O ATOM 1586 CB VAL A 105 -0.596 -8.261 8.665 1.00 0.00 C ATOM 1587 CG1 VAL A 105 -0.548 -9.768 8.463 1.00 0.00 C ATOM 1588 CG2 VAL A 105 0.808 -7.682 8.751 1.00 0.00 C ATOM 0 H VAL A 105 -1.070 -5.782 8.545 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.943 -7.866 6.572 1.00 0.00 H new ATOM 0 HB VAL A 105 -1.106 -8.061 9.607 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.015 -10.226 9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.563 -10.166 8.454 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.062 -9.993 7.514 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.354 -8.169 9.559 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.329 -7.850 7.809 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.749 -6.611 8.947 1.00 0.00 H new ATOM 1598 N ILE A 106 -3.114 -9.145 6.845 1.00 0.00 N ATOM 1599 CA ILE A 106 -4.458 -9.708 6.804 1.00 0.00 C ATOM 1600 C ILE A 106 -4.420 -11.228 6.919 1.00 0.00 C ATOM 1601 O ILE A 106 -3.476 -11.874 6.463 1.00 0.00 O ATOM 1602 CB ILE A 106 -5.191 -9.321 5.506 1.00 0.00 C ATOM 1603 CG1 ILE A 106 -6.664 -9.730 5.585 1.00 0.00 C ATOM 1604 CG2 ILE A 106 -4.520 -9.969 4.305 1.00 0.00 C ATOM 1605 CD1 ILE A 106 -7.498 -8.818 6.457 1.00 0.00 C ATOM 0 H ILE A 106 -2.430 -9.643 6.275 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.000 -9.295 7.655 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.139 -8.239 5.386 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.084 -9.742 4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.730 -10.748 5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -5.050 -9.686 3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.485 -9.633 4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.544 -11.053 4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.530 -9.168 6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.103 -8.825 7.473 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.462 -7.803 6.061 1.00 0.00 H new ATOM 1617 N THR A 107 -5.455 -11.796 7.531 1.00 0.00 N ATOM 1618 CA THR A 107 -5.542 -13.240 7.706 1.00 0.00 C ATOM 1619 C THR A 107 -6.790 -13.801 7.036 1.00 0.00 C ATOM 1620 O THR A 107 -7.909 -13.571 7.495 1.00 0.00 O ATOM 1621 CB THR A 107 -5.556 -13.626 9.197 1.00 0.00 C ATOM 1622 OG1 THR A 107 -4.317 -13.253 9.811 1.00 0.00 O ATOM 1623 CG2 THR A 107 -5.782 -15.120 9.367 1.00 0.00 C ATOM 0 H THR A 107 -6.245 -11.277 7.914 1.00 0.00 H new ATOM 0 HA THR A 107 -4.657 -13.669 7.236 1.00 0.00 H new ATOM 0 HB THR A 107 -6.375 -13.094 9.680 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.334 -13.500 10.759 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.788 -15.369 10.428 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.739 -15.396 8.924 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.981 -15.668 8.870 1.00 0.00 H new ATOM 1631 N ILE A 108 -6.592 -14.539 5.949 1.00 0.00 N ATOM 1632 CA ILE A 108 -7.703 -15.135 5.217 1.00 0.00 C ATOM 1633 C ILE A 108 -8.506 -16.077 6.108 1.00 0.00 C ATOM 1634 O ILE A 108 -7.991 -17.092 6.577 1.00 0.00 O ATOM 1635 CB ILE A 108 -7.212 -15.910 3.980 1.00 0.00 C ATOM 1636 CG1 ILE A 108 -6.277 -15.035 3.141 1.00 0.00 C ATOM 1637 CG2 ILE A 108 -8.394 -16.382 3.147 1.00 0.00 C ATOM 1638 CD1 ILE A 108 -6.945 -13.797 2.587 1.00 0.00 C ATOM 0 H ILE A 108 -5.672 -14.739 5.556 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.342 -14.314 4.891 1.00 0.00 H new ATOM 0 HB ILE A 108 -6.656 -16.786 4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -5.426 -14.736 3.753 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -5.883 -15.626 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.031 -16.928 2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.025 -17.036 3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.975 -15.520 2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.224 -13.225 2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.779 -14.088 1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.314 -13.184 3.409 1.00 0.00 H new ATOM 1650 N GLU A 109 -9.770 -15.735 6.335 1.00 0.00 N ATOM 1651 CA GLU A 109 -10.644 -16.551 7.168 1.00 0.00 C ATOM 1652 C GLU A 109 -11.910 -16.942 6.411 1.00 0.00 C ATOM 1653 O GLU A 109 -12.834 -16.141 6.269 1.00 0.00 O ATOM 1654 CB GLU A 109 -11.015 -15.799 8.448 1.00 0.00 C ATOM 1655 CG GLU A 109 -9.949 -15.875 9.529 1.00 0.00 C ATOM 1656 CD GLU A 109 -10.355 -15.155 10.800 1.00 0.00 C ATOM 1657 OE1 GLU A 109 -10.991 -15.791 11.666 1.00 0.00 O ATOM 1658 OE2 GLU A 109 -10.037 -13.954 10.928 1.00 0.00 O ATOM 0 H GLU A 109 -10.211 -14.898 5.954 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.104 -17.460 7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.199 -14.753 8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -11.948 -16.204 8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -9.743 -16.921 9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.022 -15.443 9.151 1.00 0.00 H new