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 Set 1.1: A 46 ASN : amide:sc= -0.63 K(o=-0.84,f=-7.9!) USER MOD Set 1.2: A 47 THR OG1 : rot 18:sc= -0.209! USER MOD Set 2.1: A 30 SER OG : rot 149:sc= -0.276 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.0135 X(o=-0.29,f=-0.39) USER MOD Set 3.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.6!) USER MOD Single : A 20 THR OG1 : rot 88:sc= 1.12 USER MOD Single : A 21 GLN : amide:sc= -0.047 X(o=-0.047,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.55) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.28 K(o=-0.28,f=-4.3!) USER MOD Single : A 39 SER OG : rot 83:sc= 1.12 USER MOD Single : A 40 SER OG : rot 79:sc= 1.23 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.5 USER MOD Single : A 42 ASN : amide:sc= -0.527 K(o=-0.53,f=-5.1!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= -0.167 (180deg=-1.05) USER MOD Single : A 52 ASN : amide:sc= -0.0258 X(o=-0.026,f=-0.026) USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= -0.0102 (180deg=-0.272) USER MOD Single : A 63 ASN : amide:sc= -1.54 K(o=-1.5,f=-3.8!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N CYS A 13 11.693 9.127 -19.884 1.00 0.00 N ATOM 211 CA CYS A 13 10.856 8.823 -21.039 1.00 0.00 C ATOM 212 C CYS A 13 11.448 7.667 -21.838 1.00 0.00 C ATOM 213 O CYS A 13 12.332 7.863 -22.672 1.00 0.00 O ATOM 214 CB CYS A 13 10.728 10.056 -21.934 1.00 0.00 C ATOM 215 SG CYS A 13 9.131 10.854 -21.635 1.00 0.00 S ATOM 0 HA CYS A 13 9.868 8.534 -20.682 1.00 0.00 H new ATOM 0 HB2 CYS A 13 11.540 10.754 -21.728 1.00 0.00 H new ATOM 0 HB3 CYS A 13 10.813 9.768 -22.982 1.00 0.00 H new ATOM 220 N ASN A 14 10.952 6.463 -21.575 1.00 0.00 N ATOM 221 CA ASN A 14 11.433 5.275 -22.273 1.00 0.00 C ATOM 222 C ASN A 14 10.290 4.584 -23.013 1.00 0.00 C ATOM 223 O ASN A 14 10.478 4.051 -24.107 1.00 0.00 O ATOM 224 CB ASN A 14 12.056 4.300 -21.271 1.00 0.00 C ATOM 225 CG ASN A 14 11.018 3.887 -20.233 1.00 0.00 C ATOM 226 OD1 ASN A 14 10.153 3.057 -20.515 1.00 0.00 O ATOM 227 ND2 ASN A 14 11.050 4.420 -19.043 1.00 0.00 N ATOM 0 H ASN A 14 10.221 6.283 -20.887 1.00 0.00 H new ATOM 0 HA ASN A 14 12.185 5.584 -22.999 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.431 3.420 -21.793 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.909 4.767 -20.779 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.358 4.150 -18.344 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.767 5.107 -18.811 1.00 0.00 H new ATOM 234 N THR A 15 9.105 4.595 -22.408 1.00 0.00 N ATOM 235 CA THR A 15 7.940 3.963 -23.019 1.00 0.00 C ATOM 236 C THR A 15 7.614 4.621 -24.357 1.00 0.00 C ATOM 237 O THR A 15 7.799 5.826 -24.531 1.00 0.00 O ATOM 238 CB THR A 15 6.735 4.062 -22.079 1.00 0.00 C ATOM 239 OG1 THR A 15 5.653 3.318 -22.622 1.00 0.00 O ATOM 240 CG2 THR A 15 6.319 5.525 -21.920 1.00 0.00 C ATOM 0 H THR A 15 8.927 5.031 -21.503 1.00 0.00 H new ATOM 0 HA THR A 15 8.169 2.912 -23.195 1.00 0.00 H new ATOM 0 HB THR A 15 7.005 3.659 -21.103 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.881 3.378 -22.022 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.461 5.589 -21.250 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.149 6.096 -21.503 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.050 5.935 -22.894 1.00 0.00 H new ATOM 248 N ALA A 16 7.138 3.816 -25.302 1.00 0.00 N ATOM 249 CA ALA A 16 6.798 4.316 -26.632 1.00 0.00 C ATOM 250 C ALA A 16 5.708 5.384 -26.567 1.00 0.00 C ATOM 251 O ALA A 16 5.531 6.155 -27.510 1.00 0.00 O ATOM 252 CB ALA A 16 6.323 3.160 -27.513 1.00 0.00 C ATOM 0 H ALA A 16 6.979 2.817 -25.173 1.00 0.00 H new ATOM 0 HA ALA A 16 7.694 4.768 -27.058 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.071 3.538 -28.504 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.117 2.418 -27.599 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.443 2.699 -27.065 1.00 0.00 H new ATOM 258 N THR A 17 4.976 5.426 -25.458 1.00 0.00 N ATOM 259 CA THR A 17 3.908 6.408 -25.302 1.00 0.00 C ATOM 260 C THR A 17 4.476 7.825 -25.265 1.00 0.00 C ATOM 261 O THR A 17 3.899 8.749 -25.837 1.00 0.00 O ATOM 262 CB THR A 17 3.123 6.134 -24.017 1.00 0.00 C ATOM 263 OG1 THR A 17 2.559 4.831 -24.078 1.00 0.00 O ATOM 264 CG2 THR A 17 2.006 7.168 -23.870 1.00 0.00 C ATOM 0 H THR A 17 5.100 4.800 -24.663 1.00 0.00 H new ATOM 0 HA THR A 17 3.239 6.322 -26.158 1.00 0.00 H new ATOM 0 HB THR A 17 3.793 6.201 -23.160 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.057 4.653 -23.255 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.447 6.972 -22.955 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.439 8.167 -23.824 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.334 7.102 -24.726 1.00 0.00 H new ATOM 272 N CYS A 18 5.609 7.989 -24.588 1.00 0.00 N ATOM 273 CA CYS A 18 6.242 9.299 -24.483 1.00 0.00 C ATOM 274 C CYS A 18 6.673 9.800 -25.857 1.00 0.00 C ATOM 275 O CYS A 18 6.393 10.938 -26.228 1.00 0.00 O ATOM 276 CB CYS A 18 7.461 9.221 -23.561 1.00 0.00 C ATOM 277 SG CYS A 18 8.231 10.855 -23.444 1.00 0.00 S ATOM 0 H CYS A 18 6.104 7.238 -24.108 1.00 0.00 H new ATOM 0 HA CYS A 18 5.516 9.997 -24.066 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.161 8.876 -22.571 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.177 8.496 -23.947 1.00 0.00 H new ATOM 282 N ALA A 19 7.358 8.944 -26.607 1.00 0.00 N ATOM 283 CA ALA A 19 7.823 9.318 -27.938 1.00 0.00 C ATOM 284 C ALA A 19 6.642 9.631 -28.851 1.00 0.00 C ATOM 285 O ALA A 19 6.699 10.556 -29.660 1.00 0.00 O ATOM 286 CB ALA A 19 8.650 8.182 -28.541 1.00 0.00 C ATOM 0 H ALA A 19 7.602 7.996 -26.320 1.00 0.00 H new ATOM 0 HA ALA A 19 8.443 10.210 -27.848 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.993 8.470 -29.535 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.511 7.981 -27.904 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.036 7.284 -28.615 1.00 0.00 H new ATOM 292 N THR A 20 5.576 8.850 -28.721 1.00 0.00 N ATOM 293 CA THR A 20 4.388 9.044 -29.546 1.00 0.00 C ATOM 294 C THR A 20 3.956 10.509 -29.558 1.00 0.00 C ATOM 295 O THR A 20 3.569 11.039 -30.599 1.00 0.00 O ATOM 296 CB THR A 20 3.242 8.182 -29.013 1.00 0.00 C ATOM 297 OG1 THR A 20 3.631 6.815 -29.034 1.00 0.00 O ATOM 298 CG2 THR A 20 2.005 8.377 -29.890 1.00 0.00 C ATOM 0 H THR A 20 5.509 8.080 -28.056 1.00 0.00 H new ATOM 0 HA THR A 20 4.633 8.748 -30.566 1.00 0.00 H new ATOM 0 HB THR A 20 3.009 8.478 -27.990 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.085 6.591 -28.195 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.189 7.763 -29.510 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.708 9.426 -29.873 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.235 8.082 -30.914 1.00 0.00 H new ATOM 306 N GLN A 21 4.012 11.155 -28.398 1.00 0.00 N ATOM 307 CA GLN A 21 3.610 12.555 -28.299 1.00 0.00 C ATOM 308 C GLN A 21 4.721 13.482 -28.785 1.00 0.00 C ATOM 309 O GLN A 21 4.455 14.597 -29.234 1.00 0.00 O ATOM 310 CB GLN A 21 3.242 12.894 -26.850 1.00 0.00 C ATOM 311 CG GLN A 21 4.436 13.540 -26.142 1.00 0.00 C ATOM 312 CD GLN A 21 4.193 13.569 -24.636 1.00 0.00 C ATOM 313 OE1 GLN A 21 3.390 14.367 -24.151 1.00 0.00 O ATOM 314 NE2 GLN A 21 4.841 12.740 -23.864 1.00 0.00 N ATOM 0 H GLN A 21 4.328 10.738 -27.522 1.00 0.00 H new ATOM 0 HA GLN A 21 2.739 12.704 -28.937 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.388 13.572 -26.832 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.942 11.989 -26.322 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.346 12.981 -26.362 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.586 14.553 -26.515 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.505 12.080 -24.268 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.683 12.752 -22.856 1.00 0.00 H new ATOM 323 N ARG A 22 5.965 13.021 -28.693 1.00 0.00 N ATOM 324 CA ARG A 22 7.099 13.832 -29.128 1.00 0.00 C ATOM 325 C ARG A 22 7.122 13.951 -30.650 1.00 0.00 C ATOM 326 O ARG A 22 7.143 15.055 -31.195 1.00 0.00 O ATOM 327 CB ARG A 22 8.409 13.206 -28.633 1.00 0.00 C ATOM 328 CG ARG A 22 9.608 14.028 -29.122 1.00 0.00 C ATOM 329 CD ARG A 22 9.544 15.441 -28.538 1.00 0.00 C ATOM 330 NE ARG A 22 9.359 15.382 -27.091 1.00 0.00 N ATOM 331 CZ ARG A 22 10.373 15.121 -26.264 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.578 14.907 -26.727 1.00 0.00 N ATOM 333 NH2 ARG A 22 10.160 15.077 -24.977 1.00 0.00 N ATOM 0 H ARG A 22 6.212 12.102 -28.326 1.00 0.00 H new ATOM 0 HA ARG A 22 6.995 14.831 -28.704 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.410 13.161 -27.544 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.490 12.181 -28.995 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.538 13.544 -28.824 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.608 14.075 -30.211 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.461 15.981 -28.773 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.723 15.994 -28.994 1.00 0.00 H new ATOM 0 HE ARG A 22 8.430 15.545 -26.702 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.751 14.939 -27.732 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.344 14.709 -26.083 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.223 15.242 -24.609 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.931 14.878 -24.339 1.00 0.00 H new ATOM 347 N LEU A 23 7.122 12.809 -31.329 1.00 0.00 N ATOM 348 CA LEU A 23 7.149 12.804 -32.787 1.00 0.00 C ATOM 349 C LEU A 23 5.918 13.508 -33.349 1.00 0.00 C ATOM 350 O LEU A 23 5.975 14.115 -34.418 1.00 0.00 O ATOM 351 CB LEU A 23 7.219 11.367 -33.315 1.00 0.00 C ATOM 352 CG LEU A 23 5.940 10.610 -32.949 1.00 0.00 C ATOM 353 CD1 LEU A 23 5.011 10.556 -34.165 1.00 0.00 C ATOM 354 CD2 LEU A 23 6.299 9.184 -32.520 1.00 0.00 C ATOM 0 H LEU A 23 7.104 11.884 -30.899 1.00 0.00 H new ATOM 0 HA LEU A 23 8.038 13.343 -33.114 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.349 11.375 -34.397 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.086 10.858 -32.893 1.00 0.00 H new ATOM 0 HG LEU A 23 5.436 11.123 -32.130 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.100 10.017 -33.904 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.756 11.570 -34.474 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.514 10.043 -34.985 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.390 8.643 -32.259 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.802 8.673 -33.341 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.961 9.220 -31.655 1.00 0.00 H new ATOM 366 N ALA A 24 4.805 13.423 -32.627 1.00 0.00 N ATOM 367 CA ALA A 24 3.569 14.055 -33.073 1.00 0.00 C ATOM 368 C ALA A 24 3.761 15.559 -33.237 1.00 0.00 C ATOM 369 O ALA A 24 3.275 16.154 -34.198 1.00 0.00 O ATOM 370 CB ALA A 24 2.452 13.790 -32.062 1.00 0.00 C ATOM 0 H ALA A 24 4.734 12.927 -31.738 1.00 0.00 H new ATOM 0 HA ALA A 24 3.296 13.629 -34.038 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.532 14.266 -32.403 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.292 12.716 -31.970 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.734 14.200 -31.092 1.00 0.00 H new ATOM 376 N ASN A 25 4.469 16.171 -32.294 1.00 0.00 N ATOM 377 CA ASN A 25 4.713 17.607 -32.350 1.00 0.00 C ATOM 378 C ASN A 25 5.526 17.966 -33.590 1.00 0.00 C ATOM 379 O ASN A 25 5.274 18.982 -34.238 1.00 0.00 O ATOM 380 CB ASN A 25 5.466 18.057 -31.097 1.00 0.00 C ATOM 381 CG ASN A 25 4.560 17.948 -29.875 1.00 0.00 C ATOM 382 OD1 ASN A 25 4.896 17.260 -28.911 1.00 0.00 O ATOM 383 ND2 ASN A 25 3.424 18.589 -29.857 1.00 0.00 N ATOM 0 H ASN A 25 4.881 15.700 -31.488 1.00 0.00 H new ATOM 0 HA ASN A 25 3.751 18.118 -32.400 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.355 17.442 -30.957 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.806 19.086 -31.217 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.813 18.521 -29.043 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.147 19.159 -30.657 1.00 0.00 H new ATOM 390 N PHE A 26 6.504 17.126 -33.912 1.00 0.00 N ATOM 391 CA PHE A 26 7.355 17.361 -35.073 1.00 0.00 C ATOM 392 C PHE A 26 6.546 17.281 -36.365 1.00 0.00 C ATOM 393 O PHE A 26 6.890 17.914 -37.362 1.00 0.00 O ATOM 394 CB PHE A 26 8.484 16.330 -35.112 1.00 0.00 C ATOM 395 CG PHE A 26 9.399 16.630 -36.275 1.00 0.00 C ATOM 396 CD1 PHE A 26 10.381 17.620 -36.155 1.00 0.00 C ATOM 397 CD2 PHE A 26 9.263 15.919 -37.473 1.00 0.00 C ATOM 398 CE1 PHE A 26 11.229 17.899 -37.234 1.00 0.00 C ATOM 399 CE2 PHE A 26 10.111 16.198 -38.552 1.00 0.00 C ATOM 400 CZ PHE A 26 11.094 17.188 -38.432 1.00 0.00 C ATOM 0 H PHE A 26 6.727 16.280 -33.388 1.00 0.00 H new ATOM 0 HA PHE A 26 7.778 18.362 -34.987 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.045 16.354 -34.178 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.071 15.326 -35.210 1.00 0.00 H new ATOM 0 HD1 PHE A 26 10.485 18.169 -35.231 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.505 15.156 -37.565 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.987 18.663 -37.142 1.00 0.00 H new ATOM 0 HE2 PHE A 26 10.007 15.650 -39.477 1.00 0.00 H new ATOM 0 HZ PHE A 26 11.748 17.403 -39.264 1.00 0.00 H new ATOM 410 N LEU A 27 5.475 16.494 -36.343 1.00 0.00 N ATOM 411 CA LEU A 27 4.631 16.336 -37.524 1.00 0.00 C ATOM 412 C LEU A 27 3.934 17.650 -37.870 1.00 0.00 C ATOM 413 O LEU A 27 4.136 18.202 -38.952 1.00 0.00 O ATOM 414 CB LEU A 27 3.573 15.253 -37.268 1.00 0.00 C ATOM 415 CG LEU A 27 3.927 13.951 -38.006 1.00 0.00 C ATOM 416 CD1 LEU A 27 3.748 14.139 -39.517 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.377 13.541 -37.698 1.00 0.00 C ATOM 0 H LEU A 27 5.172 15.960 -35.529 1.00 0.00 H new ATOM 0 HA LEU A 27 5.265 16.042 -38.361 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.497 15.060 -36.198 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.597 15.608 -37.598 1.00 0.00 H new ATOM 0 HG LEU A 27 3.258 13.162 -37.663 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.001 13.212 -40.031 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.712 14.402 -39.731 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.404 14.937 -39.865 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.614 12.618 -38.227 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.055 14.330 -38.023 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.491 13.384 -36.625 1.00 0.00 H new ATOM 429 N VAL A 28 3.106 18.141 -36.952 1.00 0.00 N ATOM 430 CA VAL A 28 2.378 19.384 -37.185 1.00 0.00 C ATOM 431 C VAL A 28 3.326 20.584 -37.208 1.00 0.00 C ATOM 432 O VAL A 28 2.976 21.649 -37.717 1.00 0.00 O ATOM 433 CB VAL A 28 1.323 19.586 -36.096 1.00 0.00 C ATOM 434 CG1 VAL A 28 0.334 18.418 -36.115 1.00 0.00 C ATOM 435 CG2 VAL A 28 2.004 19.654 -34.726 1.00 0.00 C ATOM 0 H VAL A 28 2.924 17.703 -36.049 1.00 0.00 H new ATOM 0 HA VAL A 28 1.891 19.310 -38.157 1.00 0.00 H new ATOM 0 HB VAL A 28 0.788 20.517 -36.282 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.417 18.564 -35.338 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.155 18.371 -37.088 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.868 17.486 -35.932 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.250 19.798 -33.952 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.542 18.724 -34.540 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.705 20.488 -34.709 1.00 0.00 H new ATOM 445 N HIS A 29 4.524 20.405 -36.657 1.00 0.00 N ATOM 446 CA HIS A 29 5.507 21.483 -36.624 1.00 0.00 C ATOM 447 C HIS A 29 6.308 21.516 -37.921 1.00 0.00 C ATOM 448 O HIS A 29 6.700 22.583 -38.395 1.00 0.00 O ATOM 449 CB HIS A 29 6.458 21.286 -35.441 1.00 0.00 C ATOM 450 CG HIS A 29 7.475 22.393 -35.424 1.00 0.00 C ATOM 451 ND1 HIS A 29 7.155 23.686 -35.041 1.00 0.00 N ATOM 452 CD2 HIS A 29 8.812 22.416 -35.738 1.00 0.00 C ATOM 453 CE1 HIS A 29 8.275 24.426 -35.133 1.00 0.00 C ATOM 454 NE2 HIS A 29 9.314 23.700 -35.553 1.00 0.00 N ATOM 0 H HIS A 29 4.835 19.532 -36.231 1.00 0.00 H new ATOM 0 HA HIS A 29 4.978 22.429 -36.512 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.897 21.280 -34.507 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.957 20.320 -35.519 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.386 21.566 -36.077 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.327 25.478 -34.896 1.00 0.00 H new ATOM 0 HE2 HIS A 29 10.271 24.019 -35.706 1.00 0.00 H new ATOM 463 N SER A 30 6.548 20.339 -38.487 1.00 0.00 N ATOM 464 CA SER A 30 7.305 20.222 -39.727 1.00 0.00 C ATOM 465 C SER A 30 6.375 20.133 -40.934 1.00 0.00 C ATOM 466 O SER A 30 6.783 19.683 -42.004 1.00 0.00 O ATOM 467 CB SER A 30 8.173 18.965 -39.673 1.00 0.00 C ATOM 468 OG SER A 30 9.091 18.981 -40.758 1.00 0.00 O ATOM 0 H SER A 30 6.228 19.449 -38.105 1.00 0.00 H new ATOM 0 HA SER A 30 7.928 21.110 -39.833 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.712 18.922 -38.726 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.547 18.074 -39.725 1.00 0.00 H new ATOM 0 HG SER A 30 9.914 18.517 -40.497 1.00 0.00 H new ATOM 474 N SER A 31 5.125 20.555 -40.763 1.00 0.00 N ATOM 475 CA SER A 31 4.167 20.501 -41.861 1.00 0.00 C ATOM 476 C SER A 31 4.685 21.302 -43.051 1.00 0.00 C ATOM 477 O SER A 31 4.625 20.849 -44.192 1.00 0.00 O ATOM 478 CB SER A 31 2.815 21.056 -41.412 1.00 0.00 C ATOM 479 OG SER A 31 1.900 21.000 -42.498 1.00 0.00 O ATOM 0 H SER A 31 4.757 20.932 -39.890 1.00 0.00 H new ATOM 0 HA SER A 31 4.041 19.461 -42.161 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.433 20.479 -40.570 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.927 22.084 -41.069 1.00 0.00 H new ATOM 0 HG SER A 31 1.032 21.354 -42.213 1.00 0.00 H new ATOM 485 N ASN A 32 5.196 22.495 -42.769 1.00 0.00 N ATOM 486 CA ASN A 32 5.730 23.354 -43.821 1.00 0.00 C ATOM 487 C ASN A 32 6.762 22.593 -44.646 1.00 0.00 C ATOM 488 O ASN A 32 6.647 22.499 -45.866 1.00 0.00 O ATOM 489 CB ASN A 32 6.373 24.601 -43.209 1.00 0.00 C ATOM 490 CG ASN A 32 7.175 24.220 -41.969 1.00 0.00 C ATOM 491 OD1 ASN A 32 6.601 23.825 -40.954 1.00 0.00 O ATOM 492 ND2 ASN A 32 8.476 24.317 -41.990 1.00 0.00 N ATOM 0 H ASN A 32 5.252 22.888 -41.829 1.00 0.00 H new ATOM 0 HA ASN A 32 4.910 23.660 -44.471 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.024 25.080 -43.940 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.602 25.325 -42.945 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.020 24.065 -41.164 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.949 24.644 -42.832 1.00 0.00 H new ATOM 499 N ASN A 33 7.767 22.052 -43.969 1.00 0.00 N ATOM 500 CA ASN A 33 8.819 21.296 -44.642 1.00 0.00 C ATOM 501 C ASN A 33 8.233 20.126 -45.430 1.00 0.00 C ATOM 502 O ASN A 33 8.603 19.899 -46.582 1.00 0.00 O ATOM 503 CB ASN A 33 9.815 20.765 -43.609 1.00 0.00 C ATOM 504 CG ASN A 33 10.642 21.914 -43.043 1.00 0.00 C ATOM 505 OD1 ASN A 33 10.589 22.185 -41.843 1.00 0.00 O ATOM 506 ND2 ASN A 33 11.406 22.611 -43.839 1.00 0.00 N ATOM 0 H ASN A 33 7.877 22.121 -42.957 1.00 0.00 H new ATOM 0 HA ASN A 33 9.327 21.964 -45.338 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.282 20.259 -42.804 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.471 20.027 -44.070 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.961 23.382 -43.467 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.448 22.385 -44.833 1.00 0.00 H new ATOM 513 N PHE A 34 7.330 19.380 -44.804 1.00 0.00 N ATOM 514 CA PHE A 34 6.716 18.229 -45.460 1.00 0.00 C ATOM 515 C PHE A 34 6.046 18.628 -46.773 1.00 0.00 C ATOM 516 O PHE A 34 6.329 18.052 -47.823 1.00 0.00 O ATOM 517 CB PHE A 34 5.675 17.601 -44.531 1.00 0.00 C ATOM 518 CG PHE A 34 5.084 16.377 -45.189 1.00 0.00 C ATOM 519 CD1 PHE A 34 5.895 15.268 -45.460 1.00 0.00 C ATOM 520 CD2 PHE A 34 3.726 16.350 -45.529 1.00 0.00 C ATOM 521 CE1 PHE A 34 5.349 14.133 -46.070 1.00 0.00 C ATOM 522 CE2 PHE A 34 3.179 15.214 -46.138 1.00 0.00 C ATOM 523 CZ PHE A 34 3.991 14.106 -46.409 1.00 0.00 C ATOM 0 H PHE A 34 7.008 19.548 -43.851 1.00 0.00 H new ATOM 0 HA PHE A 34 7.503 17.509 -45.682 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.136 17.329 -43.582 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.889 18.322 -44.308 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.943 15.289 -45.198 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.100 17.206 -45.321 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.975 13.278 -46.279 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.131 15.192 -46.399 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.569 13.230 -46.880 1.00 0.00 H new ATOM 533 N GLY A 35 5.149 19.606 -46.706 1.00 0.00 N ATOM 534 CA GLY A 35 4.437 20.059 -47.897 1.00 0.00 C ATOM 535 C GLY A 35 5.390 20.697 -48.901 1.00 0.00 C ATOM 536 O GLY A 35 5.218 20.555 -50.111 1.00 0.00 O ATOM 0 H GLY A 35 4.899 20.097 -45.848 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.927 19.215 -48.362 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.669 20.779 -47.613 1.00 0.00 H new ATOM 540 N ALA A 36 6.392 21.402 -48.391 1.00 0.00 N ATOM 541 CA ALA A 36 7.368 22.061 -49.252 1.00 0.00 C ATOM 542 C ALA A 36 8.165 21.031 -50.048 1.00 0.00 C ATOM 543 O ALA A 36 8.446 21.228 -51.231 1.00 0.00 O ATOM 544 CB ALA A 36 8.324 22.904 -48.406 1.00 0.00 C ATOM 0 H ALA A 36 6.551 21.532 -47.392 1.00 0.00 H new ATOM 0 HA ALA A 36 6.832 22.706 -49.949 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.050 23.393 -49.056 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.758 23.659 -47.861 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.846 22.261 -47.698 1.00 0.00 H new ATOM 550 N ILE A 37 8.526 19.934 -49.391 1.00 0.00 N ATOM 551 CA ILE A 37 9.292 18.877 -50.043 1.00 0.00 C ATOM 552 C ILE A 37 8.451 18.156 -51.094 1.00 0.00 C ATOM 553 O ILE A 37 8.930 17.879 -52.193 1.00 0.00 O ATOM 554 CB ILE A 37 9.790 17.870 -49.004 1.00 0.00 C ATOM 555 CG1 ILE A 37 10.893 18.513 -48.159 1.00 0.00 C ATOM 556 CG2 ILE A 37 10.348 16.636 -49.715 1.00 0.00 C ATOM 557 CD1 ILE A 37 11.196 17.625 -46.950 1.00 0.00 C ATOM 0 H ILE A 37 8.302 19.754 -48.412 1.00 0.00 H new ATOM 0 HA ILE A 37 10.145 19.338 -50.540 1.00 0.00 H new ATOM 0 HB ILE A 37 8.962 17.574 -48.359 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.793 18.648 -48.759 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.580 19.503 -47.827 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.703 15.919 -48.975 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.564 16.178 -50.318 1.00 0.00 H new ATOM 0 HG23 ILE A 37 11.176 16.931 -50.360 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.981 18.084 -46.349 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.296 17.513 -46.346 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.527 16.645 -47.293 1.00 0.00 H new ATOM 569 N LEU A 38 7.201 17.856 -50.759 1.00 0.00 N ATOM 570 CA LEU A 38 6.322 17.169 -51.699 1.00 0.00 C ATOM 571 C LEU A 38 5.999 18.077 -52.882 1.00 0.00 C ATOM 572 O LEU A 38 5.999 17.642 -54.032 1.00 0.00 O ATOM 573 CB LEU A 38 5.027 16.748 -50.995 1.00 0.00 C ATOM 574 CG LEU A 38 4.096 16.039 -51.986 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.759 14.755 -52.491 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.783 15.687 -51.282 1.00 0.00 C ATOM 0 H LEU A 38 6.778 18.074 -49.857 1.00 0.00 H new ATOM 0 HA LEU A 38 6.832 16.279 -52.068 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.256 16.085 -50.161 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.529 17.624 -50.579 1.00 0.00 H new ATOM 0 HG LEU A 38 3.897 16.699 -52.831 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.094 14.255 -53.195 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.696 15.001 -52.990 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.960 14.093 -51.648 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.118 15.183 -51.983 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.988 15.028 -50.438 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.307 16.599 -50.923 1.00 0.00 H new ATOM 588 N SER A 39 5.723 19.341 -52.585 1.00 0.00 N ATOM 589 CA SER A 39 5.396 20.311 -53.624 1.00 0.00 C ATOM 590 C SER A 39 6.569 20.487 -54.585 1.00 0.00 C ATOM 591 O SER A 39 6.383 20.867 -55.741 1.00 0.00 O ATOM 592 CB SER A 39 5.050 21.657 -52.988 1.00 0.00 C ATOM 593 OG SER A 39 3.848 21.528 -52.241 1.00 0.00 O ATOM 0 H SER A 39 5.719 19.718 -51.637 1.00 0.00 H new ATOM 0 HA SER A 39 4.537 19.940 -54.183 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.862 21.985 -52.339 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.932 22.417 -53.760 1.00 0.00 H new ATOM 0 HG SER A 39 4.052 21.167 -51.353 1.00 0.00 H new ATOM 599 N SER A 40 7.775 20.214 -54.098 1.00 0.00 N ATOM 600 CA SER A 40 8.970 20.351 -54.923 1.00 0.00 C ATOM 601 C SER A 40 9.307 19.032 -55.613 1.00 0.00 C ATOM 602 O SER A 40 10.473 18.743 -55.884 1.00 0.00 O ATOM 603 CB SER A 40 10.151 20.792 -54.058 1.00 0.00 C ATOM 604 OG SER A 40 9.838 22.029 -53.431 1.00 0.00 O ATOM 0 H SER A 40 7.950 19.899 -53.144 1.00 0.00 H new ATOM 0 HA SER A 40 8.774 21.104 -55.687 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.368 20.034 -53.305 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.046 20.898 -54.671 1.00 0.00 H new ATOM 0 HG SER A 40 9.259 21.866 -52.657 1.00 0.00 H new ATOM 610 N THR A 41 8.281 18.236 -55.895 1.00 0.00 N ATOM 611 CA THR A 41 8.484 16.950 -56.555 1.00 0.00 C ATOM 612 C THR A 41 8.358 17.098 -58.068 1.00 0.00 C ATOM 613 O THR A 41 7.948 16.166 -58.761 1.00 0.00 O ATOM 614 CB THR A 41 7.454 15.935 -56.051 1.00 0.00 C ATOM 615 OG1 THR A 41 7.782 14.645 -56.547 1.00 0.00 O ATOM 616 CG2 THR A 41 6.057 16.330 -56.537 1.00 0.00 C ATOM 0 H THR A 41 7.308 18.455 -55.679 1.00 0.00 H new ATOM 0 HA THR A 41 9.488 16.596 -56.319 1.00 0.00 H new ATOM 0 HB THR A 41 7.464 15.921 -54.961 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.125 13.994 -56.225 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.328 15.605 -56.176 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.805 17.319 -56.155 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.042 16.347 -57.627 1.00 0.00 H new ATOM 624 N ASN A 42 8.714 18.274 -58.576 1.00 0.00 N ATOM 625 CA ASN A 42 8.635 18.530 -60.010 1.00 0.00 C ATOM 626 C ASN A 42 9.942 18.151 -60.705 1.00 0.00 C ATOM 627 O ASN A 42 10.229 18.624 -61.804 1.00 0.00 O ATOM 628 CB ASN A 42 8.334 20.010 -60.260 1.00 0.00 C ATOM 629 CG ASN A 42 9.525 20.864 -59.837 1.00 0.00 C ATOM 630 OD1 ASN A 42 10.438 20.373 -59.174 1.00 0.00 O ATOM 631 ND2 ASN A 42 9.570 22.121 -60.184 1.00 0.00 N ATOM 0 H ASN A 42 9.057 19.058 -58.022 1.00 0.00 H new ATOM 0 HA ASN A 42 7.832 17.918 -60.421 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.117 20.172 -61.316 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.446 20.308 -59.702 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.363 22.699 -59.906 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.812 22.526 -60.734 1.00 0.00 H new ATOM 638 N VAL A 43 10.730 17.294 -60.060 1.00 0.00 N ATOM 639 CA VAL A 43 12.000 16.862 -60.634 1.00 0.00 C ATOM 640 C VAL A 43 11.806 15.628 -61.516 1.00 0.00 C ATOM 641 O VAL A 43 12.765 14.923 -61.829 1.00 0.00 O ATOM 642 CB VAL A 43 12.994 16.548 -59.511 1.00 0.00 C ATOM 643 CG1 VAL A 43 12.693 15.166 -58.923 1.00 0.00 C ATOM 644 CG2 VAL A 43 14.422 16.570 -60.067 1.00 0.00 C ATOM 0 H VAL A 43 10.514 16.889 -59.149 1.00 0.00 H new ATOM 0 HA VAL A 43 12.393 17.669 -61.253 1.00 0.00 H new ATOM 0 HB VAL A 43 12.899 17.300 -58.727 1.00 0.00 H new ATOM 0 HG11 VAL A 43 13.403 14.948 -58.125 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.680 15.154 -58.521 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.782 14.411 -59.704 1.00 0.00 H new ATOM 0 HG21 VAL A 43 15.128 16.346 -59.267 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.517 15.822 -60.854 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.638 17.557 -60.476 1.00 0.00 H new ATOM 654 N GLY A 44 10.564 15.372 -61.920 1.00 0.00 N ATOM 655 CA GLY A 44 10.270 14.220 -62.766 1.00 0.00 C ATOM 656 C GLY A 44 8.914 13.615 -62.416 1.00 0.00 C ATOM 657 O GLY A 44 8.292 12.944 -63.240 1.00 0.00 O ATOM 0 H GLY A 44 9.753 15.941 -61.678 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.278 14.522 -63.813 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.050 13.468 -62.646 1.00 0.00 H new ATOM 661 N SER A 45 8.460 13.856 -61.189 1.00 0.00 N ATOM 662 CA SER A 45 7.175 13.328 -60.743 1.00 0.00 C ATOM 663 C SER A 45 6.088 14.391 -60.865 1.00 0.00 C ATOM 664 O SER A 45 5.164 14.444 -60.053 1.00 0.00 O ATOM 665 CB SER A 45 7.276 12.865 -59.290 1.00 0.00 C ATOM 666 OG SER A 45 8.045 11.671 -59.230 1.00 0.00 O ATOM 0 H SER A 45 8.958 14.409 -60.491 1.00 0.00 H new ATOM 0 HA SER A 45 6.913 12.481 -61.376 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.739 13.641 -58.680 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.280 12.691 -58.882 1.00 0.00 H new ATOM 0 HG SER A 45 8.113 11.372 -58.299 1.00 0.00 H new ATOM 672 N ASN A 46 6.205 15.237 -61.884 1.00 0.00 N ATOM 673 CA ASN A 46 5.227 16.298 -62.102 1.00 0.00 C ATOM 674 C ASN A 46 3.836 15.721 -62.372 1.00 0.00 C ATOM 675 O ASN A 46 2.843 16.448 -62.346 1.00 0.00 O ATOM 676 CB ASN A 46 5.658 17.166 -63.286 1.00 0.00 C ATOM 677 CG ASN A 46 5.635 16.346 -64.571 1.00 0.00 C ATOM 678 OD1 ASN A 46 5.487 15.125 -64.526 1.00 0.00 O ATOM 679 ND2 ASN A 46 5.774 16.948 -65.720 1.00 0.00 N ATOM 0 H ASN A 46 6.962 15.210 -62.568 1.00 0.00 H new ATOM 0 HA ASN A 46 5.179 16.904 -61.197 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.992 18.023 -63.380 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.660 17.559 -63.114 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.760 16.407 -66.584 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.896 17.960 -65.754 1.00 0.00 H new ATOM 686 N THR A 47 3.766 14.416 -62.632 1.00 0.00 N ATOM 687 CA THR A 47 2.485 13.772 -62.903 1.00 0.00 C ATOM 688 C THR A 47 1.867 13.233 -61.615 1.00 0.00 C ATOM 689 O THR A 47 1.118 12.257 -61.637 1.00 0.00 O ATOM 690 CB THR A 47 2.678 12.625 -63.898 1.00 0.00 C ATOM 691 OG1 THR A 47 3.645 13.001 -64.869 1.00 0.00 O ATOM 692 CG2 THR A 47 1.349 12.318 -64.590 1.00 0.00 C ATOM 0 H THR A 47 4.572 13.792 -62.660 1.00 0.00 H new ATOM 0 HA THR A 47 1.811 14.515 -63.329 1.00 0.00 H new ATOM 0 HB THR A 47 3.021 11.737 -63.368 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.168 13.759 -64.534 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.488 11.501 -65.298 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.608 12.030 -63.844 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.002 13.204 -65.122 1.00 0.00 H new ATOM 700 N TYR A 48 2.185 13.875 -60.495 1.00 0.00 N ATOM 701 CA TYR A 48 1.653 13.451 -59.205 1.00 0.00 C ATOM 702 C TYR A 48 0.405 14.255 -58.842 1.00 0.00 C ATOM 703 O TYR A 48 0.015 14.320 -57.676 1.00 0.00 O ATOM 704 CB TYR A 48 2.719 13.627 -58.118 1.00 0.00 C ATOM 705 CG TYR A 48 2.747 15.065 -57.651 1.00 0.00 C ATOM 706 CD1 TYR A 48 2.278 15.395 -56.373 1.00 0.00 C ATOM 707 CD2 TYR A 48 3.243 16.068 -58.493 1.00 0.00 C ATOM 708 CE1 TYR A 48 2.304 16.726 -55.938 1.00 0.00 C ATOM 709 CE2 TYR A 48 3.270 17.399 -58.058 1.00 0.00 C ATOM 710 CZ TYR A 48 2.800 17.728 -56.781 1.00 0.00 C ATOM 711 OH TYR A 48 2.826 19.039 -56.352 1.00 0.00 O ATOM 0 H TYR A 48 2.804 14.685 -60.454 1.00 0.00 H new ATOM 0 HA TYR A 48 1.378 12.399 -59.275 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.506 12.967 -57.277 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.697 13.343 -58.506 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.896 14.622 -55.722 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.605 15.815 -59.479 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.942 16.979 -54.953 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.653 18.172 -58.708 1.00 0.00 H new ATOM 0 HH TYR A 48 3.201 19.607 -57.057 1.00 0.00 H new ATOM 721 N GLY A 49 -0.222 14.863 -59.846 1.00 0.00 N ATOM 722 CA GLY A 49 -1.423 15.656 -59.614 1.00 0.00 C ATOM 723 C GLY A 49 -2.475 14.849 -58.862 1.00 0.00 C ATOM 724 O GLY A 49 -2.694 13.672 -59.151 1.00 0.00 O ATOM 0 H GLY A 49 0.079 14.822 -60.820 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.168 16.549 -59.043 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.831 15.992 -60.567 1.00 0.00 H new ATOM 728 N LYS A 50 -3.124 15.490 -57.896 1.00 0.00 N ATOM 729 CA LYS A 50 -4.154 14.826 -57.106 1.00 0.00 C ATOM 730 C LYS A 50 -5.397 14.566 -57.951 1.00 0.00 C ATOM 731 O LYS A 50 -6.175 13.656 -57.663 1.00 0.00 O ATOM 732 CB LYS A 50 -4.527 15.694 -55.903 1.00 0.00 C ATOM 733 CG LYS A 50 -3.357 15.731 -54.917 1.00 0.00 C ATOM 734 CD LYS A 50 -3.798 16.419 -53.623 1.00 0.00 C ATOM 735 CE LYS A 50 -4.008 17.912 -53.881 1.00 0.00 C ATOM 736 NZ LYS A 50 -2.732 18.518 -54.356 1.00 0.00 N ATOM 0 H LYS A 50 -2.956 16.464 -57.642 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.759 13.871 -56.759 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.771 16.704 -56.232 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.416 15.294 -55.414 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.016 14.718 -54.704 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.515 16.266 -55.356 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.721 15.970 -53.257 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.045 16.276 -52.848 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.791 18.057 -54.625 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.340 18.407 -52.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.712 19.527 -54.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.929 18.033 -53.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.664 18.418 -55.389 1.00 0.00 H new ATOM 750 N ARG A 51 -5.579 15.371 -58.992 1.00 0.00 N ATOM 751 CA ARG A 51 -6.733 15.220 -59.871 1.00 0.00 C ATOM 752 C ARG A 51 -6.743 13.840 -60.525 1.00 0.00 C ATOM 753 O ARG A 51 -7.783 13.374 -60.990 1.00 0.00 O ATOM 754 CB ARG A 51 -6.714 16.302 -60.954 1.00 0.00 C ATOM 755 CG ARG A 51 -5.577 16.025 -61.941 1.00 0.00 C ATOM 756 CD ARG A 51 -5.461 17.192 -62.924 1.00 0.00 C ATOM 757 NE ARG A 51 -4.428 16.915 -63.918 1.00 0.00 N ATOM 758 CZ ARG A 51 -3.132 17.088 -63.652 1.00 0.00 C ATOM 759 NH1 ARG A 51 -2.738 17.510 -62.476 1.00 0.00 N ATOM 760 NH2 ARG A 51 -2.245 16.832 -64.574 1.00 0.00 N ATOM 0 H ARG A 51 -4.947 16.130 -59.247 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.635 15.326 -59.268 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.669 16.320 -61.480 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.582 17.284 -60.499 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.638 15.893 -61.403 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.768 15.098 -62.481 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.418 17.356 -63.420 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.220 18.108 -62.385 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.705 16.580 -64.841 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.425 17.711 -61.750 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.744 17.638 -62.287 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.544 16.502 -65.492 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.253 16.962 -64.377 1.00 0.00 H new ATOM 774 N ASN A 52 -5.584 13.189 -60.559 1.00 0.00 N ATOM 775 CA ASN A 52 -5.483 11.864 -61.161 1.00 0.00 C ATOM 776 C ASN A 52 -6.321 10.854 -60.383 1.00 0.00 C ATOM 777 O ASN A 52 -6.770 9.850 -60.935 1.00 0.00 O ATOM 778 CB ASN A 52 -4.023 11.410 -61.180 1.00 0.00 C ATOM 779 CG ASN A 52 -3.912 10.045 -61.849 1.00 0.00 C ATOM 780 OD1 ASN A 52 -4.101 9.928 -63.060 1.00 0.00 O ATOM 781 ND2 ASN A 52 -3.618 8.998 -61.128 1.00 0.00 N ATOM 0 H ASN A 52 -4.710 13.553 -60.181 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.860 11.921 -62.182 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.414 12.138 -61.716 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.636 11.358 -60.162 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.544 8.080 -61.567 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.462 9.097 -60.125 1.00 0.00 H new ATOM 788 N ALA A 53 -6.520 11.125 -59.098 1.00 0.00 N ATOM 789 CA ALA A 53 -7.299 10.229 -58.251 1.00 0.00 C ATOM 790 C ALA A 53 -8.661 9.943 -58.876 1.00 0.00 C ATOM 791 O ALA A 53 -9.153 8.816 -58.825 1.00 0.00 O ATOM 792 CB ALA A 53 -7.493 10.856 -56.869 1.00 0.00 C ATOM 0 H ALA A 53 -6.156 11.951 -58.623 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.754 9.290 -58.153 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.076 10.181 -56.242 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.520 11.030 -56.409 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.021 11.804 -56.970 1.00 0.00 H new ATOM 798 N VAL A 54 -9.265 10.969 -59.466 1.00 0.00 N ATOM 799 CA VAL A 54 -10.570 10.807 -60.096 1.00 0.00 C ATOM 800 C VAL A 54 -10.426 10.116 -61.450 1.00 0.00 C ATOM 801 O VAL A 54 -11.331 9.410 -61.895 1.00 0.00 O ATOM 802 CB VAL A 54 -11.250 12.170 -60.269 1.00 0.00 C ATOM 803 CG1 VAL A 54 -10.891 12.767 -61.632 1.00 0.00 C ATOM 804 CG2 VAL A 54 -12.767 11.994 -60.174 1.00 0.00 C ATOM 0 H VAL A 54 -8.877 11.911 -59.521 1.00 0.00 H new ATOM 0 HA VAL A 54 -11.190 10.185 -59.451 1.00 0.00 H new ATOM 0 HB VAL A 54 -10.906 12.844 -59.484 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.379 13.735 -61.745 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.811 12.895 -61.700 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -11.227 12.097 -62.423 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -13.254 12.961 -60.297 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -13.104 11.316 -60.958 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -13.025 11.579 -59.200 1.00 0.00 H new ATOM 814 N GLU A 55 -9.285 10.323 -62.100 1.00 0.00 N ATOM 815 CA GLU A 55 -9.039 9.713 -63.401 1.00 0.00 C ATOM 816 C GLU A 55 -9.045 8.191 -63.290 1.00 0.00 C ATOM 817 O GLU A 55 -9.738 7.509 -64.045 1.00 0.00 O ATOM 818 CB GLU A 55 -7.691 10.184 -63.952 1.00 0.00 C ATOM 819 CG GLU A 55 -7.559 9.760 -65.417 1.00 0.00 C ATOM 820 CD GLU A 55 -7.081 8.314 -65.508 1.00 0.00 C ATOM 821 OE1 GLU A 55 -6.336 7.899 -64.635 1.00 0.00 O ATOM 822 OE2 GLU A 55 -7.467 7.642 -66.450 1.00 0.00 O ATOM 0 H GLU A 55 -8.522 10.903 -61.751 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.835 10.018 -64.081 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.611 11.268 -63.868 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.878 9.758 -63.365 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.520 9.865 -65.921 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.856 10.416 -65.931 1.00 0.00 H new ATOM 829 N VAL A 56 -8.271 7.662 -62.348 1.00 0.00 N ATOM 830 CA VAL A 56 -8.204 6.217 -62.159 1.00 0.00 C ATOM 831 C VAL A 56 -9.541 5.679 -61.655 1.00 0.00 C ATOM 832 O VAL A 56 -9.993 4.616 -62.079 1.00 0.00 O ATOM 833 CB VAL A 56 -7.089 5.862 -61.169 1.00 0.00 C ATOM 834 CG1 VAL A 56 -7.360 6.522 -59.815 1.00 0.00 C ATOM 835 CG2 VAL A 56 -7.036 4.343 -60.990 1.00 0.00 C ATOM 0 H VAL A 56 -7.688 8.204 -61.711 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.983 5.755 -63.121 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.137 6.223 -61.558 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.562 6.264 -59.118 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.398 7.604 -59.939 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.313 6.168 -59.422 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.244 4.087 -60.286 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.992 3.988 -60.605 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.834 3.870 -61.951 1.00 0.00 H new ATOM 845 N LEU A 57 -10.167 6.419 -60.745 1.00 0.00 N ATOM 846 CA LEU A 57 -11.451 6.006 -60.187 1.00 0.00 C ATOM 847 C LEU A 57 -12.432 5.640 -61.296 1.00 0.00 C ATOM 848 O LEU A 57 -12.976 4.536 -61.316 1.00 0.00 O ATOM 849 CB LEU A 57 -12.040 7.137 -59.340 1.00 0.00 C ATOM 850 CG LEU A 57 -12.051 6.723 -57.868 1.00 0.00 C ATOM 851 CD1 LEU A 57 -10.664 6.947 -57.261 1.00 0.00 C ATOM 852 CD2 LEU A 57 -13.080 7.564 -57.110 1.00 0.00 C ATOM 0 H LEU A 57 -9.809 7.302 -60.380 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.284 5.128 -59.563 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.451 8.045 -59.468 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -13.053 7.364 -59.672 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.314 5.668 -57.791 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.674 6.651 -56.212 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.930 6.348 -57.800 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.399 8.001 -57.338 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.089 7.270 -56.061 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.817 8.619 -57.189 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.069 7.404 -57.540 1.00 0.00 H new ATOM 864 N LYS A 58 -12.663 6.575 -62.212 1.00 0.00 N ATOM 865 CA LYS A 58 -13.591 6.338 -63.312 1.00 0.00 C ATOM 866 C LYS A 58 -13.087 5.215 -64.214 1.00 0.00 C ATOM 867 O LYS A 58 -13.875 4.524 -64.859 1.00 0.00 O ATOM 868 CB LYS A 58 -13.764 7.617 -64.135 1.00 0.00 C ATOM 869 CG LYS A 58 -14.575 8.638 -63.335 1.00 0.00 C ATOM 870 CD LYS A 58 -16.060 8.275 -63.396 1.00 0.00 C ATOM 871 CE LYS A 58 -16.881 9.364 -62.703 1.00 0.00 C ATOM 872 NZ LYS A 58 -16.555 9.382 -61.249 1.00 0.00 N ATOM 0 H LYS A 58 -12.225 7.496 -62.215 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.552 6.043 -62.890 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.789 8.032 -64.390 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.270 7.391 -65.074 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.237 8.655 -62.299 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.418 9.639 -63.738 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.377 8.171 -64.434 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.230 7.313 -62.912 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.665 10.336 -63.147 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.946 9.178 -62.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.277 9.929 -60.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.537 8.408 -60.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.623 9.821 -61.108 1.00 0.00 H new ATOM 886 N ARG A 59 -11.770 5.044 -64.257 1.00 0.00 N ATOM 887 CA ARG A 59 -11.169 4.005 -65.087 1.00 0.00 C ATOM 888 C ARG A 59 -11.581 2.618 -64.601 1.00 0.00 C ATOM 889 O ARG A 59 -11.827 1.717 -65.403 1.00 0.00 O ATOM 890 CB ARG A 59 -9.644 4.126 -65.056 1.00 0.00 C ATOM 891 CG ARG A 59 -9.041 3.281 -66.179 1.00 0.00 C ATOM 892 CD ARG A 59 -8.601 1.926 -65.621 1.00 0.00 C ATOM 893 NE ARG A 59 -7.891 1.164 -66.643 1.00 0.00 N ATOM 894 CZ ARG A 59 -7.413 -0.058 -66.402 1.00 0.00 C ATOM 895 NH1 ARG A 59 -7.566 -0.618 -65.229 1.00 0.00 N ATOM 896 NH2 ARG A 59 -6.785 -0.703 -67.347 1.00 0.00 N ATOM 0 H ARG A 59 -11.102 5.607 -63.731 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.524 4.138 -66.109 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.349 5.169 -65.173 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.262 3.793 -64.091 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.773 3.138 -66.974 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.189 3.798 -66.620 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.956 2.074 -64.755 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.471 1.366 -65.279 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.757 1.577 -67.566 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.056 -0.120 -64.486 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.196 -1.553 -65.058 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.662 -0.272 -68.263 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.417 -1.638 -67.169 1.00 0.00 H new ATOM 910 N GLU A 60 -11.652 2.454 -63.284 1.00 0.00 N ATOM 911 CA GLU A 60 -12.032 1.171 -62.703 1.00 0.00 C ATOM 912 C GLU A 60 -13.370 1.294 -61.966 1.00 0.00 C ATOM 913 O GLU A 60 -13.420 1.330 -60.737 1.00 0.00 O ATOM 914 CB GLU A 60 -10.933 0.696 -61.744 1.00 0.00 C ATOM 915 CG GLU A 60 -10.759 -0.818 -61.878 1.00 0.00 C ATOM 916 CD GLU A 60 -12.091 -1.520 -61.640 1.00 0.00 C ATOM 917 OE1 GLU A 60 -12.742 -1.197 -60.661 1.00 0.00 O ATOM 918 OE2 GLU A 60 -12.440 -2.372 -62.442 1.00 0.00 O ATOM 0 H GLU A 60 -11.453 3.187 -62.603 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.149 0.438 -63.501 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.994 1.202 -61.970 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.195 0.953 -60.718 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.382 -1.062 -62.871 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.019 -1.172 -61.160 1.00 0.00 H new ATOM 925 N PRO A 61 -14.451 1.366 -62.700 1.00 0.00 N ATOM 926 CA PRO A 61 -15.820 1.496 -62.114 1.00 0.00 C ATOM 927 C PRO A 61 -16.263 0.235 -61.375 1.00 0.00 C ATOM 928 O PRO A 61 -17.199 0.273 -60.576 1.00 0.00 O ATOM 929 CB PRO A 61 -16.716 1.757 -63.328 1.00 0.00 C ATOM 930 CG PRO A 61 -15.974 1.203 -64.498 1.00 0.00 C ATOM 931 CD PRO A 61 -14.488 1.333 -64.172 1.00 0.00 C ATOM 0 HA PRO A 61 -15.863 2.288 -61.366 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -17.685 1.271 -63.212 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -16.907 2.823 -63.453 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -16.243 0.161 -64.670 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -16.221 1.750 -65.408 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.917 0.493 -64.567 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -14.062 2.239 -64.603 1.00 0.00 H new ATOM 939 N LEU A 62 -15.593 -0.878 -61.648 1.00 0.00 N ATOM 940 CA LEU A 62 -15.938 -2.140 -61.003 1.00 0.00 C ATOM 941 C LEU A 62 -15.936 -1.985 -59.485 1.00 0.00 C ATOM 942 O LEU A 62 -16.825 -2.490 -58.799 1.00 0.00 O ATOM 943 CB LEU A 62 -14.938 -3.224 -61.411 1.00 0.00 C ATOM 944 CG LEU A 62 -15.551 -4.604 -61.168 1.00 0.00 C ATOM 945 CD1 LEU A 62 -15.054 -5.580 -62.236 1.00 0.00 C ATOM 946 CD2 LEU A 62 -15.136 -5.109 -59.785 1.00 0.00 C ATOM 0 H LEU A 62 -14.815 -0.934 -62.305 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.938 -2.430 -61.324 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.674 -3.112 -62.463 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -14.017 -3.118 -60.838 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.637 -4.532 -61.219 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -15.491 -6.563 -62.062 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.349 -5.221 -63.222 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.968 -5.652 -62.186 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -15.572 -6.093 -59.611 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -14.049 -5.180 -59.735 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -15.490 -4.415 -59.023 1.00 0.00 H new ATOM 958 N ASN A 63 -14.932 -1.286 -58.967 1.00 0.00 N ATOM 959 CA ASN A 63 -14.825 -1.076 -57.528 1.00 0.00 C ATOM 960 C ASN A 63 -16.096 -0.431 -56.986 1.00 0.00 C ATOM 961 O ASN A 63 -16.505 -0.697 -55.856 1.00 0.00 O ATOM 962 CB ASN A 63 -13.623 -0.183 -57.215 1.00 0.00 C ATOM 963 CG ASN A 63 -13.996 1.283 -57.410 1.00 0.00 C ATOM 964 OD1 ASN A 63 -14.476 1.666 -58.477 1.00 0.00 O ATOM 965 ND2 ASN A 63 -13.801 2.131 -56.437 1.00 0.00 N ATOM 0 H ASN A 63 -14.187 -0.858 -59.517 1.00 0.00 H new ATOM 0 HA ASN A 63 -14.689 -2.045 -57.048 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.293 -0.349 -56.189 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.787 -0.443 -57.865 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.046 3.113 -56.560 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.403 1.811 -55.554 1.00 0.00 H new ATOM 972 N TYR A 64 -16.715 0.418 -57.799 1.00 0.00 N ATOM 973 CA TYR A 64 -17.940 1.096 -57.389 1.00 0.00 C ATOM 974 C TYR A 64 -19.123 0.133 -57.423 1.00 0.00 C ATOM 975 O TYR A 64 -19.901 0.059 -56.472 1.00 0.00 O ATOM 976 CB TYR A 64 -18.216 2.283 -58.313 1.00 0.00 C ATOM 977 CG TYR A 64 -19.460 3.003 -57.851 1.00 0.00 C ATOM 978 CD1 TYR A 64 -19.405 3.851 -56.738 1.00 0.00 C ATOM 979 CD2 TYR A 64 -20.668 2.823 -58.535 1.00 0.00 C ATOM 980 CE1 TYR A 64 -20.559 4.519 -56.310 1.00 0.00 C ATOM 981 CE2 TYR A 64 -21.822 3.491 -58.107 1.00 0.00 C ATOM 982 CZ TYR A 64 -21.767 4.339 -56.994 1.00 0.00 C ATOM 983 OH TYR A 64 -22.904 4.997 -56.571 1.00 0.00 O ATOM 0 H TYR A 64 -16.393 0.652 -58.738 1.00 0.00 H new ATOM 0 HA TYR A 64 -17.809 1.456 -56.368 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -17.366 2.965 -58.310 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -18.343 1.937 -59.339 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -18.473 3.990 -56.210 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -20.710 2.169 -59.393 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -20.517 5.173 -55.452 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -22.754 3.352 -58.635 1.00 0.00 H new ATOM 0 HH TYR A 64 -23.654 4.762 -57.156 1.00 0.00 H new ATOM 993 N LEU A 65 -19.254 -0.603 -58.521 1.00 0.00 N ATOM 994 CA LEU A 65 -20.349 -1.557 -58.661 1.00 0.00 C ATOM 995 C LEU A 65 -20.137 -2.752 -57.732 1.00 0.00 C ATOM 996 O LEU A 65 -19.016 -3.012 -57.294 1.00 0.00 O ATOM 997 CB LEU A 65 -20.433 -2.039 -60.112 1.00 0.00 C ATOM 998 CG LEU A 65 -20.977 -0.914 -60.994 1.00 0.00 C ATOM 999 CD1 LEU A 65 -20.724 -1.252 -62.465 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -22.483 -0.763 -60.758 1.00 0.00 C ATOM 0 H LEU A 65 -18.622 -0.559 -59.321 1.00 0.00 H new ATOM 0 HA LEU A 65 -21.281 -1.062 -58.389 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -19.447 -2.345 -60.462 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -21.081 -2.913 -60.179 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.474 0.020 -60.743 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -21.111 -0.451 -63.094 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.653 -1.361 -62.634 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -21.227 -2.186 -62.716 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -22.871 0.039 -61.386 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -22.986 -1.697 -61.009 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -22.665 -0.523 -59.710 1.00 0.00 H new