USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 399 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 14 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.7!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 99:sc= 1.17 USER MOD Single : A 21 GLN : amide:sc= -0.0655 K(o=-0.065,f=-2.1!) USER MOD Single : A 25 ASN : amide:sc= -0.0809 K(o=-0.081,f=-1.9!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0713 X(o=-0.071,f=-0.071) USER MOD Single : A 30 SER OG : rot 135:sc= -0.029 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.04 K(o=-1,f=-5.6!) USER MOD Single : A 33 ASN : amide:sc= -0.0255 K(o=-0.025,f=-2!) USER MOD Single : A 39 SER OG : rot 98:sc= 1.23 USER MOD Single : A 40 SER OG : rot 80:sc= 0.00158 USER MOD Single : A 41 THR OG1 : rot -165:sc= 0.922 USER MOD Single : A 42 ASN : amide:sc= -0.716 K(o=-0.72,f=-5.3!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.575 USER MOD Single : A 46 ASN : amide:sc= -0.575 K(o=-0.57,f=-5!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= -0.0395 (180deg=-0.316) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc=-0.00763 (180deg=-0.199) USER MOD Single : A 63 ASN : amide:sc= -4.24 K(o=-4.2,f=-6!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N CYS A 13 13.653 10.759 -18.017 1.00 0.00 N ATOM 211 CA CYS A 13 12.422 10.695 -18.800 1.00 0.00 C ATOM 212 C CYS A 13 12.521 9.632 -19.892 1.00 0.00 C ATOM 213 O CYS A 13 13.037 9.892 -20.978 1.00 0.00 O ATOM 214 CB CYS A 13 12.144 12.057 -19.441 1.00 0.00 C ATOM 215 SG CYS A 13 10.702 12.816 -18.653 1.00 0.00 S ATOM 0 HA CYS A 13 11.606 10.428 -18.128 1.00 0.00 H new ATOM 0 HB2 CYS A 13 13.013 12.705 -19.333 1.00 0.00 H new ATOM 0 HB3 CYS A 13 11.966 11.938 -20.510 1.00 0.00 H new ATOM 220 N ASN A 14 12.023 8.436 -19.594 1.00 0.00 N ATOM 221 CA ASN A 14 12.062 7.341 -20.558 1.00 0.00 C ATOM 222 C ASN A 14 10.651 6.947 -20.993 1.00 0.00 C ATOM 223 O ASN A 14 10.413 6.665 -22.167 1.00 0.00 O ATOM 224 CB ASN A 14 12.771 6.130 -19.948 1.00 0.00 C ATOM 225 CG ASN A 14 12.103 5.739 -18.633 1.00 0.00 C ATOM 226 OD1 ASN A 14 11.045 5.110 -18.636 1.00 0.00 O ATOM 227 ND2 ASN A 14 12.662 6.077 -17.503 1.00 0.00 N ATOM 0 H ASN A 14 11.591 8.201 -18.700 1.00 0.00 H new ATOM 0 HA ASN A 14 12.613 7.680 -21.435 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.740 5.292 -20.644 1.00 0.00 H new ATOM 0 HB3 ASN A 14 13.822 6.363 -19.776 1.00 0.00 H new ATOM 0 HD21 ASN A 14 12.222 5.820 -16.619 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.539 6.598 -17.504 1.00 0.00 H new ATOM 234 N THR A 15 9.720 6.923 -20.043 1.00 0.00 N ATOM 235 CA THR A 15 8.342 6.556 -20.349 1.00 0.00 C ATOM 236 C THR A 15 7.818 7.375 -21.526 1.00 0.00 C ATOM 237 O THR A 15 8.181 8.538 -21.699 1.00 0.00 O ATOM 238 CB THR A 15 7.454 6.776 -19.118 1.00 0.00 C ATOM 239 OG1 THR A 15 6.160 6.248 -19.374 1.00 0.00 O ATOM 240 CG2 THR A 15 7.341 8.271 -18.804 1.00 0.00 C ATOM 0 H THR A 15 9.893 7.151 -19.064 1.00 0.00 H new ATOM 0 HA THR A 15 8.316 5.501 -20.622 1.00 0.00 H new ATOM 0 HB THR A 15 7.900 6.269 -18.262 1.00 0.00 H new ATOM 0 HG1 THR A 15 5.590 6.385 -18.589 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.708 8.412 -17.928 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.333 8.677 -18.604 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.902 8.790 -19.656 1.00 0.00 H new ATOM 248 N ALA A 16 6.969 6.752 -22.338 1.00 0.00 N ATOM 249 CA ALA A 16 6.402 7.420 -23.507 1.00 0.00 C ATOM 250 C ALA A 16 5.505 8.589 -23.102 1.00 0.00 C ATOM 251 O ALA A 16 5.190 9.450 -23.925 1.00 0.00 O ATOM 252 CB ALA A 16 5.593 6.420 -24.334 1.00 0.00 C ATOM 0 H ALA A 16 6.659 5.789 -22.210 1.00 0.00 H new ATOM 0 HA ALA A 16 7.227 7.812 -24.101 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.173 6.924 -25.204 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.243 5.609 -24.663 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.786 6.013 -23.725 1.00 0.00 H new ATOM 258 N THR A 17 5.095 8.620 -21.838 1.00 0.00 N ATOM 259 CA THR A 17 4.236 9.695 -21.354 1.00 0.00 C ATOM 260 C THR A 17 4.994 11.020 -21.328 1.00 0.00 C ATOM 261 O THR A 17 4.427 12.076 -21.608 1.00 0.00 O ATOM 262 CB THR A 17 3.727 9.367 -19.948 1.00 0.00 C ATOM 263 OG1 THR A 17 2.989 8.154 -19.986 1.00 0.00 O ATOM 264 CG2 THR A 17 2.827 10.500 -19.453 1.00 0.00 C ATOM 0 H THR A 17 5.340 7.921 -21.137 1.00 0.00 H new ATOM 0 HA THR A 17 3.389 9.789 -22.033 1.00 0.00 H new ATOM 0 HB THR A 17 4.573 9.257 -19.270 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.663 7.941 -19.087 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.465 10.266 -18.452 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.395 11.430 -19.425 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.979 10.613 -20.129 1.00 0.00 H new ATOM 272 N CYS A 18 6.276 10.956 -20.984 1.00 0.00 N ATOM 273 CA CYS A 18 7.104 12.154 -20.918 1.00 0.00 C ATOM 274 C CYS A 18 7.161 12.845 -22.276 1.00 0.00 C ATOM 275 O CYS A 18 6.961 14.055 -22.377 1.00 0.00 O ATOM 276 CB CYS A 18 8.519 11.782 -20.471 1.00 0.00 C ATOM 277 SG CYS A 18 9.485 13.288 -20.194 1.00 0.00 S ATOM 0 H CYS A 18 6.762 10.091 -20.748 1.00 0.00 H new ATOM 0 HA CYS A 18 6.662 12.840 -20.196 1.00 0.00 H new ATOM 0 HB2 CYS A 18 8.478 11.191 -19.556 1.00 0.00 H new ATOM 0 HB3 CYS A 18 9.000 11.164 -21.229 1.00 0.00 H new ATOM 282 N ALA A 19 7.433 12.069 -23.320 1.00 0.00 N ATOM 283 CA ALA A 19 7.511 12.621 -24.667 1.00 0.00 C ATOM 284 C ALA A 19 6.131 13.061 -25.148 1.00 0.00 C ATOM 285 O ALA A 19 6.000 14.031 -25.892 1.00 0.00 O ATOM 286 CB ALA A 19 8.083 11.578 -25.629 1.00 0.00 C ATOM 0 H ALA A 19 7.602 11.065 -23.261 1.00 0.00 H new ATOM 0 HA ALA A 19 8.168 13.490 -24.645 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.137 12.000 -26.633 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.082 11.290 -25.302 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.438 10.700 -25.639 1.00 0.00 H new ATOM 292 N THR A 20 5.104 12.332 -24.727 1.00 0.00 N ATOM 293 CA THR A 20 3.739 12.650 -25.131 1.00 0.00 C ATOM 294 C THR A 20 3.327 14.037 -24.639 1.00 0.00 C ATOM 295 O THR A 20 2.767 14.829 -25.396 1.00 0.00 O ATOM 296 CB THR A 20 2.773 11.603 -24.573 1.00 0.00 C ATOM 297 OG1 THR A 20 3.103 10.327 -25.103 1.00 0.00 O ATOM 298 CG2 THR A 20 1.340 11.967 -24.966 1.00 0.00 C ATOM 0 H THR A 20 5.188 11.523 -24.111 1.00 0.00 H new ATOM 0 HA THR A 20 3.700 12.644 -26.220 1.00 0.00 H new ATOM 0 HB THR A 20 2.853 11.577 -23.486 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.641 9.831 -24.451 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.653 11.220 -24.568 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.088 12.946 -24.558 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.256 11.994 -26.052 1.00 0.00 H new ATOM 306 N GLN A 21 3.588 14.320 -23.365 1.00 0.00 N ATOM 307 CA GLN A 21 3.216 15.611 -22.791 1.00 0.00 C ATOM 308 C GLN A 21 4.143 16.728 -23.272 1.00 0.00 C ATOM 309 O GLN A 21 3.721 17.879 -23.394 1.00 0.00 O ATOM 310 CB GLN A 21 3.244 15.533 -21.260 1.00 0.00 C ATOM 311 CG GLN A 21 4.640 15.885 -20.742 1.00 0.00 C ATOM 312 CD GLN A 21 4.771 15.480 -19.278 1.00 0.00 C ATOM 313 OE1 GLN A 21 3.922 14.759 -18.754 1.00 0.00 O ATOM 314 NE2 GLN A 21 5.791 15.904 -18.583 1.00 0.00 N ATOM 0 H GLN A 21 4.050 13.682 -22.717 1.00 0.00 H new ATOM 0 HA GLN A 21 2.206 15.846 -23.126 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.508 16.218 -20.840 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.969 14.530 -20.934 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.397 15.375 -21.338 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.817 16.955 -20.849 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.493 16.501 -19.020 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.886 15.638 -17.603 1.00 0.00 H new ATOM 323 N ARG A 22 5.401 16.393 -23.545 1.00 0.00 N ATOM 324 CA ARG A 22 6.355 17.396 -24.009 1.00 0.00 C ATOM 325 C ARG A 22 6.191 17.644 -25.506 1.00 0.00 C ATOM 326 O ARG A 22 6.537 18.714 -26.009 1.00 0.00 O ATOM 327 CB ARG A 22 7.794 16.959 -23.678 1.00 0.00 C ATOM 328 CG ARG A 22 8.385 16.092 -24.799 1.00 0.00 C ATOM 329 CD ARG A 22 9.132 16.973 -25.806 1.00 0.00 C ATOM 330 NE ARG A 22 10.549 16.622 -25.831 1.00 0.00 N ATOM 331 CZ ARG A 22 10.996 15.553 -26.493 1.00 0.00 C ATOM 332 NH1 ARG A 22 10.171 14.776 -27.148 1.00 0.00 N ATOM 333 NH2 ARG A 22 12.273 15.281 -26.490 1.00 0.00 N ATOM 0 H ARG A 22 5.780 15.450 -23.455 1.00 0.00 H new ATOM 0 HA ARG A 22 6.154 18.333 -23.490 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.419 17.840 -23.529 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.801 16.401 -22.742 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.065 15.352 -24.377 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.589 15.544 -25.303 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.701 16.847 -26.799 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.015 18.023 -25.538 1.00 0.00 H new ATOM 0 HE ARG A 22 11.215 17.209 -25.329 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.173 14.984 -27.157 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.527 13.962 -27.650 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.922 15.884 -25.984 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.622 14.466 -26.994 1.00 0.00 H new ATOM 347 N LEU A 23 5.661 16.652 -26.214 1.00 0.00 N ATOM 348 CA LEU A 23 5.454 16.776 -27.651 1.00 0.00 C ATOM 349 C LEU A 23 4.253 17.668 -27.942 1.00 0.00 C ATOM 350 O LEU A 23 4.279 18.479 -28.867 1.00 0.00 O ATOM 351 CB LEU A 23 5.233 15.391 -28.269 1.00 0.00 C ATOM 352 CG LEU A 23 5.024 15.518 -29.783 1.00 0.00 C ATOM 353 CD1 LEU A 23 6.294 16.070 -30.435 1.00 0.00 C ATOM 354 CD2 LEU A 23 4.714 14.138 -30.367 1.00 0.00 C ATOM 0 H LEU A 23 5.369 15.758 -25.818 1.00 0.00 H new ATOM 0 HA LEU A 23 6.342 17.229 -28.092 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.092 14.752 -28.065 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.365 14.915 -27.813 1.00 0.00 H new ATOM 0 HG LEU A 23 4.194 16.197 -29.978 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.142 16.159 -31.511 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.520 17.052 -30.018 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.126 15.393 -30.241 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.565 14.224 -31.443 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.547 13.464 -30.169 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.809 13.742 -29.905 1.00 0.00 H new ATOM 366 N ALA A 24 3.197 17.506 -27.151 1.00 0.00 N ATOM 367 CA ALA A 24 1.988 18.297 -27.339 1.00 0.00 C ATOM 368 C ALA A 24 2.295 19.787 -27.240 1.00 0.00 C ATOM 369 O ALA A 24 1.901 20.568 -28.106 1.00 0.00 O ATOM 370 CB ALA A 24 0.948 17.918 -26.283 1.00 0.00 C ATOM 0 H ALA A 24 3.154 16.840 -26.380 1.00 0.00 H new ATOM 0 HA ALA A 24 1.593 18.087 -28.333 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.047 18.513 -26.430 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.703 16.860 -26.377 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.352 18.110 -25.289 1.00 0.00 H new ATOM 376 N ASN A 25 2.993 20.180 -26.180 1.00 0.00 N ATOM 377 CA ASN A 25 3.336 21.584 -25.985 1.00 0.00 C ATOM 378 C ASN A 25 4.257 22.076 -27.097 1.00 0.00 C ATOM 379 O ASN A 25 4.103 23.190 -27.599 1.00 0.00 O ATOM 380 CB ASN A 25 4.027 21.766 -24.633 1.00 0.00 C ATOM 381 CG ASN A 25 3.016 21.601 -23.504 1.00 0.00 C ATOM 382 OD1 ASN A 25 1.812 21.730 -23.723 1.00 0.00 O ATOM 383 ND2 ASN A 25 3.436 21.322 -22.300 1.00 0.00 N ATOM 0 H ASN A 25 3.330 19.553 -25.449 1.00 0.00 H new ATOM 0 HA ASN A 25 2.416 22.168 -26.009 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.829 21.036 -24.524 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.486 22.753 -24.580 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.766 21.211 -21.539 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.434 21.215 -22.120 1.00 0.00 H new ATOM 390 N PHE A 26 5.219 21.239 -27.472 1.00 0.00 N ATOM 391 CA PHE A 26 6.169 21.597 -28.520 1.00 0.00 C ATOM 392 C PHE A 26 5.473 21.693 -29.875 1.00 0.00 C ATOM 393 O PHE A 26 5.887 22.465 -30.740 1.00 0.00 O ATOM 394 CB PHE A 26 7.286 20.554 -28.590 1.00 0.00 C ATOM 395 CG PHE A 26 8.333 21.002 -29.581 1.00 0.00 C ATOM 396 CD1 PHE A 26 9.310 21.928 -29.196 1.00 0.00 C ATOM 397 CD2 PHE A 26 8.327 20.492 -30.885 1.00 0.00 C ATOM 398 CE1 PHE A 26 10.281 22.343 -30.115 1.00 0.00 C ATOM 399 CE2 PHE A 26 9.298 20.907 -31.803 1.00 0.00 C ATOM 400 CZ PHE A 26 10.276 21.833 -31.418 1.00 0.00 C ATOM 0 H PHE A 26 5.361 20.313 -27.069 1.00 0.00 H new ATOM 0 HA PHE A 26 6.594 22.571 -28.277 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.735 20.420 -27.606 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.878 19.588 -28.888 1.00 0.00 H new ATOM 0 HD1 PHE A 26 9.315 22.322 -28.190 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.573 19.778 -31.182 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.035 23.057 -29.818 1.00 0.00 H new ATOM 0 HE2 PHE A 26 9.293 20.513 -32.809 1.00 0.00 H new ATOM 0 HZ PHE A 26 11.026 22.153 -32.126 1.00 0.00 H new ATOM 410 N LEU A 27 4.421 20.902 -30.056 1.00 0.00 N ATOM 411 CA LEU A 27 3.683 20.905 -31.313 1.00 0.00 C ATOM 412 C LEU A 27 3.117 22.296 -31.588 1.00 0.00 C ATOM 413 O LEU A 27 3.465 22.936 -32.581 1.00 0.00 O ATOM 414 CB LEU A 27 2.546 19.865 -31.227 1.00 0.00 C ATOM 415 CG LEU A 27 1.644 19.864 -32.482 1.00 0.00 C ATOM 416 CD1 LEU A 27 0.516 20.899 -32.335 1.00 0.00 C ATOM 417 CD2 LEU A 27 2.462 20.160 -33.749 1.00 0.00 C ATOM 0 H LEU A 27 4.062 20.255 -29.354 1.00 0.00 H new ATOM 0 HA LEU A 27 4.351 20.644 -32.133 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.976 18.872 -31.093 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.937 20.070 -30.347 1.00 0.00 H new ATOM 0 HG LEU A 27 1.205 18.871 -32.577 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.109 20.885 -33.228 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.091 20.655 -31.463 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.947 21.892 -32.210 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.803 20.153 -34.617 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.932 21.139 -33.658 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.232 19.398 -33.872 1.00 0.00 H new ATOM 429 N VAL A 28 2.242 22.759 -30.701 1.00 0.00 N ATOM 430 CA VAL A 28 1.626 24.072 -30.860 1.00 0.00 C ATOM 431 C VAL A 28 2.664 25.187 -30.752 1.00 0.00 C ATOM 432 O VAL A 28 2.442 26.301 -31.227 1.00 0.00 O ATOM 433 CB VAL A 28 0.553 24.274 -29.787 1.00 0.00 C ATOM 434 CG1 VAL A 28 -0.502 23.172 -29.902 1.00 0.00 C ATOM 435 CG2 VAL A 28 1.199 24.217 -28.400 1.00 0.00 C ATOM 0 H VAL A 28 1.945 22.248 -29.870 1.00 0.00 H new ATOM 0 HA VAL A 28 1.175 24.115 -31.851 1.00 0.00 H new ATOM 0 HB VAL A 28 0.080 25.246 -29.929 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.265 23.318 -29.137 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.964 23.212 -30.888 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.029 22.200 -29.762 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.435 24.361 -27.636 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.674 23.246 -28.259 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.949 25.003 -28.315 1.00 0.00 H new ATOM 445 N HIS A 29 3.790 24.885 -30.113 1.00 0.00 N ATOM 446 CA HIS A 29 4.847 25.876 -29.935 1.00 0.00 C ATOM 447 C HIS A 29 5.759 25.940 -31.156 1.00 0.00 C ATOM 448 O HIS A 29 6.390 26.965 -31.413 1.00 0.00 O ATOM 449 CB HIS A 29 5.677 25.534 -28.697 1.00 0.00 C ATOM 450 CG HIS A 29 6.760 26.562 -28.521 1.00 0.00 C ATOM 451 ND1 HIS A 29 6.491 27.853 -28.093 1.00 0.00 N ATOM 452 CD2 HIS A 29 8.119 26.505 -28.710 1.00 0.00 C ATOM 453 CE1 HIS A 29 7.662 28.514 -28.040 1.00 0.00 C ATOM 454 NE2 HIS A 29 8.686 27.739 -28.407 1.00 0.00 N ATOM 0 H HIS A 29 3.994 23.969 -29.712 1.00 0.00 H new ATOM 0 HA HIS A 29 4.375 26.850 -29.807 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.039 25.508 -27.814 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.116 24.542 -28.803 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.665 25.635 -29.043 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.762 29.546 -27.737 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.672 27.996 -28.455 1.00 0.00 H new ATOM 463 N SER A 30 5.836 24.843 -31.900 1.00 0.00 N ATOM 464 CA SER A 30 6.684 24.785 -33.085 1.00 0.00 C ATOM 465 C SER A 30 5.867 24.976 -34.360 1.00 0.00 C ATOM 466 O SER A 30 6.318 24.620 -35.447 1.00 0.00 O ATOM 467 CB SER A 30 7.388 23.429 -33.142 1.00 0.00 C ATOM 468 OG SER A 30 8.505 23.517 -34.017 1.00 0.00 O ATOM 0 H SER A 30 5.323 23.983 -31.705 1.00 0.00 H new ATOM 0 HA SER A 30 7.416 25.590 -33.018 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.715 23.134 -32.145 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.697 22.662 -33.491 1.00 0.00 H new ATOM 0 HG SER A 30 9.283 23.092 -33.599 1.00 0.00 H new ATOM 474 N SER A 31 4.668 25.534 -34.230 1.00 0.00 N ATOM 475 CA SER A 31 3.819 25.754 -35.395 1.00 0.00 C ATOM 476 C SER A 31 4.517 26.676 -36.391 1.00 0.00 C ATOM 477 O SER A 31 4.609 26.376 -37.581 1.00 0.00 O ATOM 478 CB SER A 31 2.491 26.377 -34.964 1.00 0.00 C ATOM 479 OG SER A 31 1.688 26.613 -36.112 1.00 0.00 O ATOM 0 H SER A 31 4.266 25.838 -33.343 1.00 0.00 H new ATOM 0 HA SER A 31 3.628 24.793 -35.873 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.972 25.713 -34.273 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.670 27.312 -34.433 1.00 0.00 H new ATOM 0 HG SER A 31 0.835 27.011 -35.839 1.00 0.00 H new ATOM 485 N ASN A 32 5.003 27.803 -35.885 1.00 0.00 N ATOM 486 CA ASN A 32 5.692 28.777 -36.725 1.00 0.00 C ATOM 487 C ASN A 32 6.837 28.112 -37.482 1.00 0.00 C ATOM 488 O ASN A 32 6.973 28.277 -38.695 1.00 0.00 O ATOM 489 CB ASN A 32 6.236 29.922 -35.868 1.00 0.00 C ATOM 490 CG ASN A 32 7.123 29.371 -34.757 1.00 0.00 C ATOM 491 OD1 ASN A 32 6.681 28.542 -33.962 1.00 0.00 O ATOM 492 ND2 ASN A 32 8.357 29.784 -34.655 1.00 0.00 N ATOM 0 H ASN A 32 4.934 28.065 -34.902 1.00 0.00 H new ATOM 0 HA ASN A 32 4.978 29.177 -37.445 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.806 30.613 -36.490 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.410 30.488 -35.437 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.957 29.420 -33.915 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.721 30.471 -35.315 1.00 0.00 H new ATOM 499 N ASN A 33 7.656 27.359 -36.759 1.00 0.00 N ATOM 500 CA ASN A 33 8.787 26.668 -37.368 1.00 0.00 C ATOM 501 C ASN A 33 8.311 25.650 -38.400 1.00 0.00 C ATOM 502 O ASN A 33 8.903 25.523 -39.473 1.00 0.00 O ATOM 503 CB ASN A 33 9.612 25.961 -36.290 1.00 0.00 C ATOM 504 CG ASN A 33 10.371 26.988 -35.458 1.00 0.00 C ATOM 505 OD1 ASN A 33 10.543 28.130 -35.884 1.00 0.00 O ATOM 506 ND2 ASN A 33 10.841 26.648 -34.288 1.00 0.00 N ATOM 0 H ASN A 33 7.560 27.211 -35.754 1.00 0.00 H new ATOM 0 HA ASN A 33 9.407 27.409 -37.872 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.958 25.372 -35.647 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.313 25.267 -36.754 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.351 27.329 -33.726 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.698 25.701 -33.936 1.00 0.00 H new ATOM 513 N PHE A 34 7.252 24.918 -38.070 1.00 0.00 N ATOM 514 CA PHE A 34 6.718 23.904 -38.975 1.00 0.00 C ATOM 515 C PHE A 34 6.560 24.456 -40.388 1.00 0.00 C ATOM 516 O PHE A 34 7.006 23.840 -41.356 1.00 0.00 O ATOM 517 CB PHE A 34 5.358 23.421 -38.468 1.00 0.00 C ATOM 518 CG PHE A 34 4.835 22.339 -39.384 1.00 0.00 C ATOM 519 CD1 PHE A 34 5.435 21.074 -39.388 1.00 0.00 C ATOM 520 CD2 PHE A 34 3.749 22.601 -40.228 1.00 0.00 C ATOM 521 CE1 PHE A 34 4.950 20.072 -40.236 1.00 0.00 C ATOM 522 CE2 PHE A 34 3.264 21.598 -41.076 1.00 0.00 C ATOM 523 CZ PHE A 34 3.864 20.334 -41.080 1.00 0.00 C ATOM 0 H PHE A 34 6.748 25.006 -37.188 1.00 0.00 H new ATOM 0 HA PHE A 34 7.422 23.072 -39.003 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.452 23.038 -37.452 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.655 24.253 -38.432 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.272 20.871 -38.737 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.286 23.577 -40.225 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.413 19.096 -40.239 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.426 21.800 -41.727 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.489 19.560 -41.734 1.00 0.00 H new ATOM 533 N GLY A 35 5.919 25.614 -40.503 1.00 0.00 N ATOM 534 CA GLY A 35 5.708 26.223 -41.811 1.00 0.00 C ATOM 535 C GLY A 35 7.038 26.584 -42.463 1.00 0.00 C ATOM 536 O GLY A 35 7.205 26.451 -43.674 1.00 0.00 O ATOM 0 H GLY A 35 5.541 26.144 -39.718 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.159 25.534 -42.453 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.095 27.118 -41.705 1.00 0.00 H new ATOM 540 N ALA A 36 7.978 27.048 -41.647 1.00 0.00 N ATOM 541 CA ALA A 36 9.293 27.433 -42.147 1.00 0.00 C ATOM 542 C ALA A 36 10.012 26.234 -42.763 1.00 0.00 C ATOM 543 O ALA A 36 10.611 26.344 -43.833 1.00 0.00 O ATOM 544 CB ALA A 36 10.137 28.010 -41.009 1.00 0.00 C ATOM 0 H ALA A 36 7.855 27.166 -40.641 1.00 0.00 H new ATOM 0 HA ALA A 36 9.157 28.191 -42.918 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.117 28.295 -41.391 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.640 28.888 -40.596 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.256 27.259 -40.228 1.00 0.00 H new ATOM 550 N ILE A 37 9.953 25.091 -42.085 1.00 0.00 N ATOM 551 CA ILE A 37 10.608 23.886 -42.588 1.00 0.00 C ATOM 552 C ILE A 37 9.862 23.329 -43.797 1.00 0.00 C ATOM 553 O ILE A 37 10.476 22.955 -44.796 1.00 0.00 O ATOM 554 CB ILE A 37 10.679 22.824 -41.489 1.00 0.00 C ATOM 555 CG1 ILE A 37 11.675 23.265 -40.414 1.00 0.00 C ATOM 556 CG2 ILE A 37 11.140 21.495 -42.091 1.00 0.00 C ATOM 557 CD1 ILE A 37 11.533 22.365 -39.185 1.00 0.00 C ATOM 0 H ILE A 37 9.465 24.973 -41.197 1.00 0.00 H new ATOM 0 HA ILE A 37 11.619 24.152 -42.895 1.00 0.00 H new ATOM 0 HB ILE A 37 9.692 22.700 -41.043 1.00 0.00 H new ATOM 0 HG12 ILE A 37 12.692 23.211 -40.802 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.493 24.304 -40.140 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.190 20.739 -41.308 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.432 21.178 -42.857 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.126 21.621 -42.538 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.243 22.680 -38.420 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.519 22.442 -38.793 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.736 21.331 -39.465 1.00 0.00 H new ATOM 569 N LEU A 38 8.538 23.276 -43.704 1.00 0.00 N ATOM 570 CA LEU A 38 7.728 22.763 -44.804 1.00 0.00 C ATOM 571 C LEU A 38 7.965 23.596 -46.060 1.00 0.00 C ATOM 572 O LEU A 38 8.143 23.060 -47.154 1.00 0.00 O ATOM 573 CB LEU A 38 6.244 22.810 -44.423 1.00 0.00 C ATOM 574 CG LEU A 38 5.391 22.259 -45.570 1.00 0.00 C ATOM 575 CD1 LEU A 38 5.712 20.779 -45.788 1.00 0.00 C ATOM 576 CD2 LEU A 38 3.910 22.410 -45.215 1.00 0.00 C ATOM 0 H LEU A 38 8.007 23.578 -42.888 1.00 0.00 H new ATOM 0 HA LEU A 38 8.015 21.730 -45.003 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.074 22.226 -43.519 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.950 23.836 -44.200 1.00 0.00 H new ATOM 0 HG LEU A 38 5.610 22.813 -46.483 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.103 20.391 -46.605 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.767 20.669 -46.038 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.495 20.222 -44.877 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.299 22.019 -46.029 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.696 21.855 -44.302 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.678 23.464 -45.061 1.00 0.00 H new ATOM 588 N SER A 39 7.959 24.912 -45.885 1.00 0.00 N ATOM 589 CA SER A 39 8.168 25.831 -46.997 1.00 0.00 C ATOM 590 C SER A 39 9.434 25.468 -47.769 1.00 0.00 C ATOM 591 O SER A 39 9.563 25.786 -48.952 1.00 0.00 O ATOM 592 CB SER A 39 8.285 27.262 -46.473 1.00 0.00 C ATOM 593 OG SER A 39 7.050 27.651 -45.887 1.00 0.00 O ATOM 0 H SER A 39 7.812 25.367 -44.984 1.00 0.00 H new ATOM 0 HA SER A 39 7.314 25.755 -47.669 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.086 27.327 -45.737 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.544 27.939 -47.287 1.00 0.00 H new ATOM 0 HG SER A 39 7.096 27.529 -44.916 1.00 0.00 H new ATOM 599 N SER A 40 10.366 24.805 -47.092 1.00 0.00 N ATOM 600 CA SER A 40 11.620 24.407 -47.725 1.00 0.00 C ATOM 601 C SER A 40 11.501 23.011 -48.331 1.00 0.00 C ATOM 602 O SER A 40 12.499 22.308 -48.490 1.00 0.00 O ATOM 603 CB SER A 40 12.750 24.424 -46.696 1.00 0.00 C ATOM 604 OG SER A 40 12.918 25.747 -46.205 1.00 0.00 O ATOM 0 H SER A 40 10.279 24.533 -46.113 1.00 0.00 H new ATOM 0 HA SER A 40 11.842 25.116 -48.523 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.520 23.745 -45.875 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.676 24.072 -47.150 1.00 0.00 H new ATOM 0 HG SER A 40 12.237 25.933 -45.525 1.00 0.00 H new ATOM 610 N THR A 41 10.277 22.617 -48.668 1.00 0.00 N ATOM 611 CA THR A 41 10.042 21.303 -49.257 1.00 0.00 C ATOM 612 C THR A 41 10.872 21.120 -50.525 1.00 0.00 C ATOM 613 O THR A 41 11.129 19.993 -50.949 1.00 0.00 O ATOM 614 CB THR A 41 8.557 21.141 -49.590 1.00 0.00 C ATOM 615 OG1 THR A 41 8.309 19.803 -50.000 1.00 0.00 O ATOM 616 CG2 THR A 41 8.176 22.102 -50.717 1.00 0.00 C ATOM 0 H THR A 41 9.438 23.184 -48.545 1.00 0.00 H new ATOM 0 HA THR A 41 10.340 20.545 -48.533 1.00 0.00 H new ATOM 0 HB THR A 41 7.959 21.368 -48.707 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.432 19.751 -50.434 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.118 21.985 -50.953 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.366 23.128 -50.401 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.772 21.879 -51.602 1.00 0.00 H new ATOM 624 N ASN A 42 11.289 22.231 -51.127 1.00 0.00 N ATOM 625 CA ASN A 42 12.088 22.173 -52.348 1.00 0.00 C ATOM 626 C ASN A 42 13.561 21.894 -52.039 1.00 0.00 C ATOM 627 O ASN A 42 14.406 21.950 -52.932 1.00 0.00 O ATOM 628 CB ASN A 42 11.968 23.495 -53.109 1.00 0.00 C ATOM 629 CG ASN A 42 12.662 24.609 -52.333 1.00 0.00 C ATOM 630 OD1 ASN A 42 13.002 24.434 -51.163 1.00 0.00 O ATOM 631 ND2 ASN A 42 12.894 25.752 -52.919 1.00 0.00 N ATOM 0 H ASN A 42 11.089 23.174 -50.793 1.00 0.00 H new ATOM 0 HA ASN A 42 11.707 21.356 -52.960 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.415 23.396 -54.098 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.917 23.744 -53.258 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.358 26.503 -52.407 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.611 25.895 -53.889 1.00 0.00 H new ATOM 638 N VAL A 43 13.868 21.594 -50.778 1.00 0.00 N ATOM 639 CA VAL A 43 15.244 21.311 -50.387 1.00 0.00 C ATOM 640 C VAL A 43 15.550 19.818 -50.522 1.00 0.00 C ATOM 641 O VAL A 43 16.496 19.312 -49.921 1.00 0.00 O ATOM 642 CB VAL A 43 15.472 21.762 -48.940 1.00 0.00 C ATOM 643 CG1 VAL A 43 14.865 20.739 -47.974 1.00 0.00 C ATOM 644 CG2 VAL A 43 16.975 21.897 -48.671 1.00 0.00 C ATOM 0 H VAL A 43 13.189 21.541 -50.018 1.00 0.00 H new ATOM 0 HA VAL A 43 15.914 21.860 -51.049 1.00 0.00 H new ATOM 0 HB VAL A 43 14.990 22.728 -48.787 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.030 21.065 -46.947 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.794 20.654 -48.160 1.00 0.00 H new ATOM 0 HG13 VAL A 43 15.338 19.769 -48.127 1.00 0.00 H new ATOM 0 HG21 VAL A 43 17.133 22.218 -47.641 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.461 20.934 -48.830 1.00 0.00 H new ATOM 0 HG23 VAL A 43 17.401 22.635 -49.350 1.00 0.00 H new ATOM 654 N GLY A 44 14.745 19.117 -51.318 1.00 0.00 N ATOM 655 CA GLY A 44 14.946 17.686 -51.519 1.00 0.00 C ATOM 656 C GLY A 44 13.767 16.878 -50.979 1.00 0.00 C ATOM 657 O GLY A 44 13.619 15.698 -51.296 1.00 0.00 O ATOM 0 H GLY A 44 13.956 19.513 -51.829 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.074 17.480 -52.582 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.863 17.372 -51.021 1.00 0.00 H new ATOM 661 N SER A 45 12.931 17.515 -50.162 1.00 0.00 N ATOM 662 CA SER A 45 11.774 16.836 -49.590 1.00 0.00 C ATOM 663 C SER A 45 10.499 17.231 -50.330 1.00 0.00 C ATOM 664 O SER A 45 9.425 17.317 -49.733 1.00 0.00 O ATOM 665 CB SER A 45 11.638 17.193 -48.110 1.00 0.00 C ATOM 666 OG SER A 45 11.468 18.598 -47.980 1.00 0.00 O ATOM 0 H SER A 45 13.032 18.491 -49.884 1.00 0.00 H new ATOM 0 HA SER A 45 11.921 15.761 -49.692 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.786 16.670 -47.675 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.524 16.870 -47.563 1.00 0.00 H new ATOM 0 HG SER A 45 11.379 18.830 -47.032 1.00 0.00 H new ATOM 672 N ASN A 46 10.625 17.472 -51.631 1.00 0.00 N ATOM 673 CA ASN A 46 9.474 17.859 -52.441 1.00 0.00 C ATOM 674 C ASN A 46 8.802 16.630 -53.050 1.00 0.00 C ATOM 675 O ASN A 46 8.105 16.731 -54.060 1.00 0.00 O ATOM 676 CB ASN A 46 9.917 18.806 -53.558 1.00 0.00 C ATOM 677 CG ASN A 46 10.801 18.064 -54.554 1.00 0.00 C ATOM 678 OD1 ASN A 46 11.247 16.950 -54.280 1.00 0.00 O ATOM 679 ND2 ASN A 46 11.083 18.618 -55.701 1.00 0.00 N ATOM 0 H ASN A 46 11.504 17.407 -52.144 1.00 0.00 H new ATOM 0 HA ASN A 46 8.757 18.366 -51.796 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.044 19.213 -54.068 1.00 0.00 H new ATOM 0 HB3 ASN A 46 10.462 19.650 -53.135 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.674 18.128 -56.373 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.712 19.541 -55.926 1.00 0.00 H new ATOM 686 N THR A 47 9.013 15.472 -52.431 1.00 0.00 N ATOM 687 CA THR A 47 8.419 14.234 -52.925 1.00 0.00 C ATOM 688 C THR A 47 7.089 13.962 -52.229 1.00 0.00 C ATOM 689 O THR A 47 6.679 12.810 -52.080 1.00 0.00 O ATOM 690 CB THR A 47 9.374 13.063 -52.681 1.00 0.00 C ATOM 691 OG1 THR A 47 10.713 13.498 -52.877 1.00 0.00 O ATOM 692 CG2 THR A 47 9.055 11.931 -53.659 1.00 0.00 C ATOM 0 H THR A 47 9.586 15.365 -51.594 1.00 0.00 H new ATOM 0 HA THR A 47 8.241 14.341 -53.995 1.00 0.00 H new ATOM 0 HB THR A 47 9.255 12.702 -51.659 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.326 12.750 -52.720 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.735 11.097 -53.485 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.028 11.599 -53.508 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.174 12.289 -54.682 1.00 0.00 H new ATOM 700 N TYR A 48 6.419 15.028 -51.805 1.00 0.00 N ATOM 701 CA TYR A 48 5.134 14.890 -51.126 1.00 0.00 C ATOM 702 C TYR A 48 3.976 15.147 -52.090 1.00 0.00 C ATOM 703 O TYR A 48 2.852 15.414 -51.664 1.00 0.00 O ATOM 704 CB TYR A 48 5.056 15.872 -49.952 1.00 0.00 C ATOM 705 CG TYR A 48 4.807 17.270 -50.470 1.00 0.00 C ATOM 706 CD1 TYR A 48 3.528 17.834 -50.376 1.00 0.00 C ATOM 707 CD2 TYR A 48 5.854 18.003 -51.042 1.00 0.00 C ATOM 708 CE1 TYR A 48 3.298 19.130 -50.854 1.00 0.00 C ATOM 709 CE2 TYR A 48 5.623 19.299 -51.520 1.00 0.00 C ATOM 710 CZ TYR A 48 4.345 19.862 -51.426 1.00 0.00 C ATOM 711 OH TYR A 48 4.118 21.139 -51.896 1.00 0.00 O ATOM 0 H TYR A 48 6.740 15.990 -51.918 1.00 0.00 H new ATOM 0 HA TYR A 48 5.053 13.869 -50.753 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.256 15.578 -49.273 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.984 15.846 -49.381 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.720 17.269 -49.935 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.840 17.569 -51.115 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.312 19.565 -50.781 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.431 19.864 -51.961 1.00 0.00 H new ATOM 0 HH TYR A 48 4.950 21.506 -52.261 1.00 0.00 H new ATOM 721 N GLY A 49 4.253 15.064 -53.389 1.00 0.00 N ATOM 722 CA GLY A 49 3.220 15.290 -54.394 1.00 0.00 C ATOM 723 C GLY A 49 1.969 14.474 -54.086 1.00 0.00 C ATOM 724 O GLY A 49 1.965 13.250 -54.223 1.00 0.00 O ATOM 0 H GLY A 49 5.175 14.844 -53.767 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.968 16.350 -54.429 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.601 15.020 -55.379 1.00 0.00 H new ATOM 728 N LYS A 50 0.909 15.161 -53.671 1.00 0.00 N ATOM 729 CA LYS A 50 -0.346 14.492 -53.346 1.00 0.00 C ATOM 730 C LYS A 50 -1.046 14.013 -54.614 1.00 0.00 C ATOM 731 O LYS A 50 -1.825 13.061 -54.583 1.00 0.00 O ATOM 732 CB LYS A 50 -1.265 15.450 -52.585 1.00 0.00 C ATOM 733 CG LYS A 50 -0.681 15.724 -51.198 1.00 0.00 C ATOM 734 CD LYS A 50 -1.679 16.538 -50.371 1.00 0.00 C ATOM 735 CE LYS A 50 -1.657 17.999 -50.829 1.00 0.00 C ATOM 736 NZ LYS A 50 -0.397 18.649 -50.365 1.00 0.00 N ATOM 0 H LYS A 50 0.893 16.174 -53.552 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.122 13.627 -52.721 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.372 16.384 -53.137 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.262 15.018 -52.493 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.458 14.783 -50.694 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.259 16.268 -51.289 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.682 16.126 -50.485 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.426 16.475 -49.313 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.727 18.051 -51.916 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.521 18.529 -50.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.524 19.681 -50.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.166 18.315 -49.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.379 18.405 -51.013 1.00 0.00 H new ATOM 750 N ARG A 51 -0.763 14.681 -55.728 1.00 0.00 N ATOM 751 CA ARG A 51 -1.371 14.316 -57.004 1.00 0.00 C ATOM 752 C ARG A 51 -0.912 12.930 -57.456 1.00 0.00 C ATOM 753 O ARG A 51 -1.513 12.332 -58.349 1.00 0.00 O ATOM 754 CB ARG A 51 -1.003 15.350 -58.071 1.00 0.00 C ATOM 755 CG ARG A 51 0.470 15.193 -58.455 1.00 0.00 C ATOM 756 CD ARG A 51 0.889 16.358 -59.353 1.00 0.00 C ATOM 757 NE ARG A 51 2.272 16.188 -59.789 1.00 0.00 N ATOM 758 CZ ARG A 51 3.302 16.501 -59.000 1.00 0.00 C ATOM 759 NH1 ARG A 51 3.105 16.971 -57.794 1.00 0.00 N ATOM 760 NH2 ARG A 51 4.521 16.337 -59.437 1.00 0.00 N ATOM 0 H ARG A 51 -0.121 15.472 -55.774 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.453 14.295 -56.870 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.634 15.220 -58.950 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.185 16.356 -57.694 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.090 15.169 -57.559 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.623 14.247 -58.974 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.231 16.413 -60.220 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.784 17.299 -58.813 1.00 0.00 H new ATOM 0 HE ARG A 51 2.456 15.820 -60.722 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.155 17.102 -57.447 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.902 17.206 -57.202 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.681 15.972 -60.376 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.313 16.574 -58.840 1.00 0.00 H new ATOM 774 N ASN A 52 0.151 12.420 -56.840 1.00 0.00 N ATOM 775 CA ASN A 52 0.664 11.103 -57.199 1.00 0.00 C ATOM 776 C ASN A 52 -0.130 10.008 -56.494 1.00 0.00 C ATOM 777 O ASN A 52 -0.302 8.912 -57.027 1.00 0.00 O ATOM 778 CB ASN A 52 2.140 10.994 -56.815 1.00 0.00 C ATOM 779 CG ASN A 52 2.812 9.899 -57.636 1.00 0.00 C ATOM 780 OD1 ASN A 52 3.367 10.173 -58.700 1.00 0.00 O ATOM 781 ND2 ASN A 52 2.790 8.668 -57.206 1.00 0.00 N ATOM 0 H ASN A 52 0.668 12.893 -56.099 1.00 0.00 H new ATOM 0 HA ASN A 52 0.560 10.975 -58.276 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.640 11.947 -56.986 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.232 10.772 -55.752 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.233 7.929 -57.752 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.329 8.444 -56.324 1.00 0.00 H new ATOM 788 N ALA A 53 -0.605 10.310 -55.291 1.00 0.00 N ATOM 789 CA ALA A 53 -1.372 9.342 -54.515 1.00 0.00 C ATOM 790 C ALA A 53 -2.612 8.888 -55.280 1.00 0.00 C ATOM 791 O ALA A 53 -2.927 7.699 -55.314 1.00 0.00 O ATOM 792 CB ALA A 53 -1.796 9.966 -53.185 1.00 0.00 C ATOM 0 H ALA A 53 -0.474 11.212 -54.834 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.739 8.474 -54.332 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.369 9.240 -52.608 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.910 10.259 -52.622 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.412 10.845 -53.375 1.00 0.00 H new ATOM 798 N VAL A 54 -3.316 9.838 -55.886 1.00 0.00 N ATOM 799 CA VAL A 54 -4.522 9.511 -56.639 1.00 0.00 C ATOM 800 C VAL A 54 -4.169 8.817 -57.951 1.00 0.00 C ATOM 801 O VAL A 54 -4.952 8.023 -58.472 1.00 0.00 O ATOM 802 CB VAL A 54 -5.327 10.781 -56.924 1.00 0.00 C ATOM 803 CG1 VAL A 54 -4.731 11.511 -58.129 1.00 0.00 C ATOM 804 CG2 VAL A 54 -6.780 10.406 -57.223 1.00 0.00 C ATOM 0 H VAL A 54 -3.077 10.829 -55.872 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.126 8.831 -56.038 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.290 11.435 -56.053 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.307 12.415 -58.328 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.696 11.780 -57.916 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.764 10.859 -59.002 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.355 11.310 -57.426 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.815 9.750 -58.093 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.207 9.890 -56.363 1.00 0.00 H new ATOM 814 N GLU A 55 -2.991 9.122 -58.486 1.00 0.00 N ATOM 815 CA GLU A 55 -2.558 8.517 -59.740 1.00 0.00 C ATOM 816 C GLU A 55 -2.542 6.994 -59.627 1.00 0.00 C ATOM 817 O GLU A 55 -3.039 6.294 -60.509 1.00 0.00 O ATOM 818 CB GLU A 55 -1.160 9.020 -60.105 1.00 0.00 C ATOM 819 CG GLU A 55 -0.820 8.601 -61.537 1.00 0.00 C ATOM 820 CD GLU A 55 -0.300 7.166 -61.560 1.00 0.00 C ATOM 821 OE1 GLU A 55 0.316 6.762 -60.587 1.00 0.00 O ATOM 822 OE2 GLU A 55 -0.527 6.491 -62.551 1.00 0.00 O ATOM 0 H GLU A 55 -2.326 9.777 -58.076 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.263 8.802 -60.521 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.118 10.105 -60.013 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.424 8.613 -59.412 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.705 8.684 -62.167 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.069 9.274 -61.951 1.00 0.00 H new ATOM 829 N VAL A 56 -1.968 6.485 -58.541 1.00 0.00 N ATOM 830 CA VAL A 56 -1.899 5.042 -58.340 1.00 0.00 C ATOM 831 C VAL A 56 -3.292 4.472 -58.078 1.00 0.00 C ATOM 832 O VAL A 56 -3.588 3.338 -58.455 1.00 0.00 O ATOM 833 CB VAL A 56 -0.954 4.709 -57.177 1.00 0.00 C ATOM 834 CG1 VAL A 56 -1.732 4.645 -55.861 1.00 0.00 C ATOM 835 CG2 VAL A 56 -0.291 3.355 -57.438 1.00 0.00 C ATOM 0 H VAL A 56 -1.549 7.042 -57.796 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.505 4.584 -59.247 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.196 5.488 -57.102 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.049 4.408 -55.046 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.204 5.609 -55.670 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.498 3.873 -55.928 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.381 3.114 -56.614 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.057 2.584 -57.518 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.276 3.401 -58.368 1.00 0.00 H new ATOM 845 N LEU A 57 -4.144 5.263 -57.431 1.00 0.00 N ATOM 846 CA LEU A 57 -5.501 4.824 -57.125 1.00 0.00 C ATOM 847 C LEU A 57 -6.226 4.371 -58.389 1.00 0.00 C ATOM 848 O LEU A 57 -6.745 3.257 -58.449 1.00 0.00 O ATOM 849 CB LEU A 57 -6.284 5.965 -56.472 1.00 0.00 C ATOM 850 CG LEU A 57 -6.411 5.703 -54.970 1.00 0.00 C ATOM 851 CD1 LEU A 57 -5.100 6.071 -54.274 1.00 0.00 C ATOM 852 CD2 LEU A 57 -7.547 6.556 -54.399 1.00 0.00 C ATOM 0 H LEU A 57 -3.920 6.205 -57.111 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.437 3.981 -56.437 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.776 6.914 -56.645 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.273 6.046 -56.923 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.627 4.648 -54.803 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.191 5.884 -53.204 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.290 5.465 -54.680 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.883 7.126 -54.441 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.639 6.370 -53.329 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.330 7.611 -54.567 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.482 6.295 -54.894 1.00 0.00 H new ATOM 864 N LYS A 58 -6.265 5.240 -59.394 1.00 0.00 N ATOM 865 CA LYS A 58 -6.941 4.907 -60.643 1.00 0.00 C ATOM 866 C LYS A 58 -6.171 3.829 -61.400 1.00 0.00 C ATOM 867 O LYS A 58 -6.750 3.054 -62.160 1.00 0.00 O ATOM 868 CB LYS A 58 -7.074 6.154 -61.519 1.00 0.00 C ATOM 869 CG LYS A 58 -8.111 7.103 -60.912 1.00 0.00 C ATOM 870 CD LYS A 58 -9.518 6.577 -61.203 1.00 0.00 C ATOM 871 CE LYS A 58 -10.552 7.624 -60.782 1.00 0.00 C ATOM 872 NZ LYS A 58 -10.505 7.800 -59.303 1.00 0.00 N ATOM 0 H LYS A 58 -5.843 6.168 -59.370 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.934 4.527 -60.403 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.111 6.657 -61.601 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.373 5.871 -62.528 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.958 7.186 -59.836 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.992 8.103 -61.329 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.622 6.354 -62.265 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.688 5.645 -60.664 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.348 8.573 -61.279 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.549 7.311 -61.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.331 8.350 -58.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.516 6.868 -58.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.635 8.305 -59.041 1.00 0.00 H new ATOM 886 N ARG A 59 -4.859 3.794 -61.187 1.00 0.00 N ATOM 887 CA ARG A 59 -4.006 2.815 -61.854 1.00 0.00 C ATOM 888 C ARG A 59 -4.337 1.399 -61.390 1.00 0.00 C ATOM 889 O ARG A 59 -4.299 0.454 -62.178 1.00 0.00 O ATOM 890 CB ARG A 59 -2.536 3.120 -61.561 1.00 0.00 C ATOM 891 CG ARG A 59 -1.654 2.454 -62.618 1.00 0.00 C ATOM 892 CD ARG A 59 -1.071 1.157 -62.056 1.00 0.00 C ATOM 893 NE ARG A 59 -0.189 0.534 -63.039 1.00 0.00 N ATOM 894 CZ ARG A 59 0.572 -0.519 -62.732 1.00 0.00 C ATOM 895 NH1 ARG A 59 0.554 -1.031 -61.528 1.00 0.00 N ATOM 896 NH2 ARG A 59 1.344 -1.044 -63.644 1.00 0.00 N ATOM 0 H ARG A 59 -4.365 4.429 -60.561 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.186 2.880 -62.927 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.371 4.197 -61.561 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.269 2.757 -60.569 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.238 2.244 -63.514 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.850 3.128 -62.913 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.518 1.365 -61.140 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.877 0.471 -61.793 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.153 0.913 -63.985 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.047 -0.625 -60.810 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.141 -1.836 -61.307 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.363 -0.650 -64.584 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.928 -1.849 -63.416 1.00 0.00 H new ATOM 910 N GLU A 60 -4.657 1.257 -60.107 1.00 0.00 N ATOM 911 CA GLU A 60 -4.988 -0.051 -59.553 1.00 0.00 C ATOM 912 C GLU A 60 -6.412 -0.059 -59.005 1.00 0.00 C ATOM 913 O GLU A 60 -6.622 -0.024 -57.794 1.00 0.00 O ATOM 914 CB GLU A 60 -4.008 -0.404 -58.433 1.00 0.00 C ATOM 915 CG GLU A 60 -2.617 -0.635 -59.027 1.00 0.00 C ATOM 916 CD GLU A 60 -2.608 -1.922 -59.845 1.00 0.00 C ATOM 917 OE1 GLU A 60 -3.489 -2.740 -59.636 1.00 0.00 O ATOM 918 OE2 GLU A 60 -1.721 -2.072 -60.668 1.00 0.00 O ATOM 0 H GLU A 60 -4.694 2.025 -59.437 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.915 -0.791 -60.350 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.973 0.401 -57.699 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.345 -1.299 -57.909 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.337 0.209 -59.658 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.877 -0.696 -58.229 1.00 0.00 H new ATOM 925 N PRO A 61 -7.386 -0.106 -59.873 1.00 0.00 N ATOM 926 CA PRO A 61 -8.822 -0.123 -59.471 1.00 0.00 C ATOM 927 C PRO A 61 -9.236 -1.450 -58.832 1.00 0.00 C ATOM 928 O PRO A 61 -10.352 -1.581 -58.332 1.00 0.00 O ATOM 929 CB PRO A 61 -9.570 0.106 -60.786 1.00 0.00 C ATOM 930 CG PRO A 61 -8.644 -0.370 -61.856 1.00 0.00 C ATOM 931 CD PRO A 61 -7.225 -0.146 -61.336 1.00 0.00 C ATOM 0 HA PRO A 61 -9.039 0.630 -58.713 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.510 -0.446 -60.805 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.817 1.159 -60.920 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.814 -1.424 -62.075 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.808 0.179 -62.783 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.556 -0.950 -61.642 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.802 0.784 -61.717 1.00 0.00 H new ATOM 939 N LEU A 62 -8.336 -2.432 -58.854 1.00 0.00 N ATOM 940 CA LEU A 62 -8.634 -3.736 -58.273 1.00 0.00 C ATOM 941 C LEU A 62 -8.784 -3.628 -56.758 1.00 0.00 C ATOM 942 O LEU A 62 -9.691 -4.218 -56.171 1.00 0.00 O ATOM 943 CB LEU A 62 -7.515 -4.725 -58.609 1.00 0.00 C ATOM 944 CG LEU A 62 -7.944 -6.137 -58.208 1.00 0.00 C ATOM 945 CD1 LEU A 62 -7.603 -7.115 -59.334 1.00 0.00 C ATOM 946 CD2 LEU A 62 -7.205 -6.552 -56.934 1.00 0.00 C ATOM 0 H LEU A 62 -7.405 -2.350 -59.263 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.574 -4.094 -58.694 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.293 -4.690 -59.676 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.601 -4.448 -58.084 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.019 -6.151 -58.028 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.909 -8.121 -59.047 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.128 -6.821 -60.243 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.528 -7.101 -59.515 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.510 -7.558 -56.648 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.130 -6.537 -57.115 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.447 -5.857 -56.130 1.00 0.00 H new ATOM 958 N ASN A 63 -7.889 -2.870 -56.131 1.00 0.00 N ATOM 959 CA ASN A 63 -7.937 -2.695 -54.683 1.00 0.00 C ATOM 960 C ASN A 63 -9.183 -1.914 -54.278 1.00 0.00 C ATOM 961 O ASN A 63 -9.727 -2.117 -53.193 1.00 0.00 O ATOM 962 CB ASN A 63 -6.684 -1.962 -54.189 1.00 0.00 C ATOM 963 CG ASN A 63 -6.315 -0.830 -55.140 1.00 0.00 C ATOM 964 OD1 ASN A 63 -5.317 -0.922 -55.854 1.00 0.00 O ATOM 965 ND2 ASN A 63 -7.060 0.240 -55.189 1.00 0.00 N ATOM 0 H ASN A 63 -7.130 -2.372 -56.596 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.975 -3.683 -54.224 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.860 -1.562 -53.190 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.853 -2.663 -54.110 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.816 1.003 -55.820 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.887 0.313 -54.596 1.00 0.00 H new ATOM 972 N TYR A 64 -9.632 -1.024 -55.156 1.00 0.00 N ATOM 973 CA TYR A 64 -10.819 -0.224 -54.875 1.00 0.00 C ATOM 974 C TYR A 64 -12.084 -1.058 -55.059 1.00 0.00 C ATOM 975 O TYR A 64 -12.995 -1.006 -54.234 1.00 0.00 O ATOM 976 CB TYR A 64 -10.863 0.996 -55.798 1.00 0.00 C ATOM 977 CG TYR A 64 -12.114 1.795 -55.519 1.00 0.00 C ATOM 978 CD1 TYR A 64 -12.191 2.596 -54.373 1.00 0.00 C ATOM 979 CD2 TYR A 64 -13.196 1.733 -56.404 1.00 0.00 C ATOM 980 CE1 TYR A 64 -13.350 3.337 -54.114 1.00 0.00 C ATOM 981 CE2 TYR A 64 -14.355 2.474 -56.145 1.00 0.00 C ATOM 982 CZ TYR A 64 -14.433 3.276 -55.000 1.00 0.00 C ATOM 983 OH TYR A 64 -15.575 4.005 -54.744 1.00 0.00 O ATOM 0 H TYR A 64 -9.197 -0.839 -56.060 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.769 0.112 -53.839 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.980 1.616 -55.641 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -10.847 0.677 -56.840 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -11.356 2.642 -53.689 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -13.137 1.114 -57.287 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -13.409 3.956 -53.231 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -15.190 2.427 -56.829 1.00 0.00 H new ATOM 0 HH TYR A 64 -16.229 3.850 -55.458 1.00 0.00 H new ATOM 993 N LEU A 65 -12.134 -1.825 -56.143 1.00 0.00 N ATOM 994 CA LEU A 65 -13.295 -2.665 -56.417 1.00 0.00 C ATOM 995 C LEU A 65 -13.329 -3.853 -55.455 1.00 0.00 C ATOM 996 O LEU A 65 -12.305 -4.219 -54.879 1.00 0.00 O ATOM 997 CB LEU A 65 -13.238 -3.170 -57.861 1.00 0.00 C ATOM 998 CG LEU A 65 -13.400 -1.993 -58.826 1.00 0.00 C ATOM 999 CD1 LEU A 65 -13.096 -2.459 -60.252 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -14.838 -1.466 -58.758 1.00 0.00 C ATOM 0 H LEU A 65 -11.392 -1.883 -56.840 1.00 0.00 H new ATOM 0 HA LEU A 65 -14.199 -2.073 -56.276 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.289 -3.674 -58.043 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -14.026 -3.904 -58.031 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.709 -1.198 -58.546 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -13.211 -1.622 -60.941 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.073 -2.833 -60.302 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.787 -3.255 -60.530 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -14.951 -0.628 -59.446 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -15.530 -2.260 -59.037 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -15.056 -1.134 -57.743 1.00 0.00 H new