USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 397 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 48 THR OG1 : rot -170:sc= 0.736 USER MOD Set 1.2: A 50 SER OG : rot -28:sc= -1.48 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.779 USER MOD Single : A 35 ASN : amide:sc= -2.47 X(o=-2.5,f=-2.4) USER MOD Single : A 37 GLN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 0.0961 (180deg=0.0724) USER MOD Single : A 51 HIS : no HD1:sc= -2.45! X(o=-2.5!,f=-2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0.192 X(o=0.19,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc=-0.00331 USER MOD Single : A 69 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.23) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N PRO A 17 10.329 -5.730 -2.278 1.00 0.00 N ATOM 211 CA PRO A 17 9.086 -5.211 -1.701 1.00 0.00 C ATOM 212 C PRO A 17 7.850 -5.890 -2.281 1.00 0.00 C ATOM 213 O PRO A 17 7.958 -6.777 -3.129 1.00 0.00 O ATOM 214 CB PRO A 17 9.110 -3.729 -2.082 1.00 0.00 C ATOM 215 CG PRO A 17 9.958 -3.665 -3.305 1.00 0.00 C ATOM 216 CD PRO A 17 10.994 -4.744 -3.147 1.00 0.00 C ATOM 0 HA PRO A 17 9.030 -5.388 -0.627 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.105 -3.354 -2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.527 -3.121 -1.279 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.361 -3.826 -4.203 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.426 -2.686 -3.404 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.272 -5.178 -4.107 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.908 -4.360 -2.694 1.00 0.00 H new ATOM 224 N ILE A 18 6.677 -5.468 -1.819 1.00 0.00 N ATOM 225 CA ILE A 18 5.421 -6.036 -2.294 1.00 0.00 C ATOM 226 C ILE A 18 4.530 -4.961 -2.908 1.00 0.00 C ATOM 227 O ILE A 18 4.508 -3.821 -2.445 1.00 0.00 O ATOM 228 CB ILE A 18 4.654 -6.735 -1.157 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.606 -7.598 -0.325 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.523 -7.581 -1.723 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.967 -8.179 0.916 1.00 0.00 C ATOM 0 H ILE A 18 6.571 -4.736 -1.117 1.00 0.00 H new ATOM 0 HA ILE A 18 5.675 -6.773 -3.056 1.00 0.00 H new ATOM 0 HB ILE A 18 4.223 -5.973 -0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.981 -8.412 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.467 -6.997 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.990 -8.069 -0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.834 -6.943 -2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.934 -8.338 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.700 -8.779 1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.616 -7.370 1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.123 -8.808 0.631 1.00 0.00 H new ATOM 243 N GLU A 19 3.795 -5.334 -3.951 1.00 0.00 N ATOM 244 CA GLU A 19 2.901 -4.401 -4.627 1.00 0.00 C ATOM 245 C GLU A 19 1.455 -4.622 -4.191 1.00 0.00 C ATOM 246 O GLU A 19 0.922 -5.726 -4.305 1.00 0.00 O ATOM 247 CB GLU A 19 3.018 -4.557 -6.144 1.00 0.00 C ATOM 248 CG GLU A 19 4.089 -3.677 -6.766 1.00 0.00 C ATOM 249 CD GLU A 19 4.128 -3.785 -8.278 1.00 0.00 C ATOM 250 OE1 GLU A 19 4.696 -4.774 -8.787 1.00 0.00 O ATOM 251 OE2 GLU A 19 3.591 -2.881 -8.951 1.00 0.00 O ATOM 0 H GLU A 19 3.801 -6.274 -4.346 1.00 0.00 H new ATOM 0 HA GLU A 19 3.195 -3.389 -4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.235 -5.599 -6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.056 -4.322 -6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.910 -2.639 -6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.062 -3.954 -6.361 1.00 0.00 H new ATOM 258 N VAL A 20 0.825 -3.563 -3.692 1.00 0.00 N ATOM 259 CA VAL A 20 -0.559 -3.639 -3.240 1.00 0.00 C ATOM 260 C VAL A 20 -1.402 -2.531 -3.861 1.00 0.00 C ATOM 261 O VAL A 20 -0.927 -1.413 -4.061 1.00 0.00 O ATOM 262 CB VAL A 20 -0.654 -3.544 -1.706 1.00 0.00 C ATOM 263 CG1 VAL A 20 0.010 -4.747 -1.053 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.030 -2.247 -1.213 1.00 0.00 C ATOM 0 H VAL A 20 1.252 -2.642 -3.591 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.944 -4.607 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.707 -3.544 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.067 -4.662 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.487 -5.660 -1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.061 -4.783 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.106 -2.197 -0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.020 -2.214 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.556 -1.400 -1.653 1.00 0.00 H new ATOM 274 N THR A 21 -2.657 -2.848 -4.163 1.00 0.00 N ATOM 275 CA THR A 21 -3.567 -1.880 -4.762 1.00 0.00 C ATOM 276 C THR A 21 -4.498 -1.280 -3.715 1.00 0.00 C ATOM 277 O THR A 21 -5.283 -1.992 -3.088 1.00 0.00 O ATOM 278 CB THR A 21 -4.413 -2.520 -5.878 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.569 -3.250 -6.776 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.183 -1.459 -6.650 1.00 0.00 C ATOM 0 H THR A 21 -3.067 -3.768 -4.002 1.00 0.00 H new ATOM 0 HA THR A 21 -2.950 -1.090 -5.191 1.00 0.00 H new ATOM 0 HB THR A 21 -5.127 -3.201 -5.416 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.115 -3.655 -7.482 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.773 -1.935 -7.433 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.846 -0.924 -5.970 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.482 -0.756 -7.101 1.00 0.00 H new ATOM 288 N ALA A 22 -4.406 0.033 -3.530 1.00 0.00 N ATOM 289 CA ALA A 22 -5.243 0.728 -2.560 1.00 0.00 C ATOM 290 C ALA A 22 -6.720 0.589 -2.910 1.00 0.00 C ATOM 291 O ALA A 22 -7.160 1.022 -3.975 1.00 0.00 O ATOM 292 CB ALA A 22 -4.853 2.197 -2.484 1.00 0.00 C ATOM 0 H ALA A 22 -3.760 0.636 -4.039 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.083 0.269 -1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.486 2.704 -1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.810 2.281 -2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.983 2.659 -3.463 1.00 0.00 H new ATOM 298 N LEU A 23 -7.482 -0.019 -2.007 1.00 0.00 N ATOM 299 CA LEU A 23 -8.912 -0.216 -2.221 1.00 0.00 C ATOM 300 C LEU A 23 -9.670 1.100 -2.084 1.00 0.00 C ATOM 301 O LEU A 23 -10.646 1.343 -2.794 1.00 0.00 O ATOM 302 CB LEU A 23 -9.460 -1.239 -1.224 1.00 0.00 C ATOM 303 CG LEU A 23 -8.782 -2.610 -1.227 1.00 0.00 C ATOM 304 CD1 LEU A 23 -9.340 -3.484 -0.116 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.954 -3.287 -2.579 1.00 0.00 C ATOM 0 H LEU A 23 -7.134 -0.384 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.054 -0.592 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.380 -0.819 -0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.522 -1.381 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.716 -2.467 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.846 -4.455 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.164 -3.005 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.411 -3.620 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.465 -4.261 -2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.016 -3.417 -2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.504 -2.668 -3.356 1.00 0.00 H new ATOM 317 N TYR A 24 -9.212 1.948 -1.169 1.00 0.00 N ATOM 318 CA TYR A 24 -9.847 3.240 -0.939 1.00 0.00 C ATOM 319 C TYR A 24 -8.802 4.340 -0.782 1.00 0.00 C ATOM 320 O TYR A 24 -7.649 4.073 -0.442 1.00 0.00 O ATOM 321 CB TYR A 24 -10.734 3.182 0.305 1.00 0.00 C ATOM 322 CG TYR A 24 -11.625 1.961 0.357 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.824 1.922 -0.344 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.269 0.848 1.108 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.642 0.810 -0.299 1.00 0.00 C ATOM 326 CE2 TYR A 24 -12.079 -0.269 1.158 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.265 -0.284 0.453 1.00 0.00 C ATOM 328 OH TYR A 24 -14.076 -1.394 0.501 1.00 0.00 O ATOM 0 H TYR A 24 -8.404 1.764 -0.575 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.465 3.472 -1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.102 3.198 1.193 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.356 4.077 0.340 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.122 2.776 -0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.342 0.857 1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.571 0.797 -0.849 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.786 -1.126 1.746 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.665 -2.075 1.073 1.00 0.00 H new ATOM 338 N SER A 25 -9.214 5.579 -1.030 1.00 0.00 N ATOM 339 CA SER A 25 -8.314 6.721 -0.920 1.00 0.00 C ATOM 340 C SER A 25 -7.961 6.995 0.539 1.00 0.00 C ATOM 341 O SER A 25 -8.645 6.534 1.453 1.00 0.00 O ATOM 342 CB SER A 25 -8.952 7.963 -1.544 1.00 0.00 C ATOM 343 OG SER A 25 -7.977 8.954 -1.820 1.00 0.00 O ATOM 0 H SER A 25 -10.166 5.818 -1.309 1.00 0.00 H new ATOM 0 HA SER A 25 -7.397 6.483 -1.460 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.466 7.688 -2.465 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.705 8.368 -0.868 1.00 0.00 H new ATOM 0 HG SER A 25 -8.410 9.737 -2.220 1.00 0.00 H new ATOM 349 N PHE A 26 -6.888 7.750 0.750 1.00 0.00 N ATOM 350 CA PHE A 26 -6.442 8.085 2.097 1.00 0.00 C ATOM 351 C PHE A 26 -5.532 9.310 2.080 1.00 0.00 C ATOM 352 O PHE A 26 -4.934 9.636 1.055 1.00 0.00 O ATOM 353 CB PHE A 26 -5.707 6.899 2.725 1.00 0.00 C ATOM 354 CG PHE A 26 -5.016 7.237 4.015 1.00 0.00 C ATOM 355 CD1 PHE A 26 -5.708 7.212 5.215 1.00 0.00 C ATOM 356 CD2 PHE A 26 -3.673 7.579 4.028 1.00 0.00 C ATOM 357 CE1 PHE A 26 -5.075 7.521 6.404 1.00 0.00 C ATOM 358 CE2 PHE A 26 -3.035 7.889 5.213 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.737 7.862 6.403 1.00 0.00 C ATOM 0 H PHE A 26 -6.311 8.141 0.005 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.323 8.316 2.696 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.419 6.094 2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.971 6.521 2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.755 6.948 5.221 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.119 7.603 3.101 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.626 7.496 7.333 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.988 8.152 5.210 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.240 8.107 7.330 1.00 0.00 H new ATOM 369 N GLU A 27 -5.435 9.984 3.221 1.00 0.00 N ATOM 370 CA GLU A 27 -4.599 11.174 3.337 1.00 0.00 C ATOM 371 C GLU A 27 -3.881 11.206 4.683 1.00 0.00 C ATOM 372 O GLU A 27 -4.494 11.458 5.720 1.00 0.00 O ATOM 373 CB GLU A 27 -5.446 12.437 3.167 1.00 0.00 C ATOM 374 CG GLU A 27 -5.574 12.894 1.724 1.00 0.00 C ATOM 375 CD GLU A 27 -5.969 14.354 1.608 1.00 0.00 C ATOM 376 OE1 GLU A 27 -5.319 15.197 2.261 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.927 14.653 0.865 1.00 0.00 O ATOM 0 H GLU A 27 -5.924 9.727 4.078 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.849 11.139 2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.442 12.254 3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.006 13.241 3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.625 12.736 1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.317 12.279 1.216 1.00 0.00 H new ATOM 384 N GLY A 28 -2.577 10.948 4.658 1.00 0.00 N ATOM 385 CA GLY A 28 -1.797 10.952 5.881 1.00 0.00 C ATOM 386 C GLY A 28 -2.016 12.205 6.706 1.00 0.00 C ATOM 387 O GLY A 28 -1.478 13.265 6.389 1.00 0.00 O ATOM 0 H GLY A 28 -2.047 10.736 3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.058 10.078 6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.739 10.864 5.634 1.00 0.00 H new ATOM 439 N GLY A 32 4.076 12.065 9.143 1.00 0.00 N ATOM 440 CA GLY A 32 4.851 10.850 8.969 1.00 0.00 C ATOM 441 C GLY A 32 4.049 9.739 8.320 1.00 0.00 C ATOM 442 O GLY A 32 4.434 8.571 8.378 1.00 0.00 O ATOM 0 HA2 GLY A 32 5.727 11.066 8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.215 10.512 9.940 1.00 0.00 H new ATOM 446 N ASP A 33 2.931 10.103 7.701 1.00 0.00 N ATOM 447 CA ASP A 33 2.073 9.128 7.039 1.00 0.00 C ATOM 448 C ASP A 33 2.224 9.210 5.523 1.00 0.00 C ATOM 449 O ASP A 33 3.019 10.000 5.010 1.00 0.00 O ATOM 450 CB ASP A 33 0.611 9.354 7.431 1.00 0.00 C ATOM 451 CG ASP A 33 0.345 9.029 8.888 1.00 0.00 C ATOM 452 OD1 ASP A 33 1.288 9.134 9.700 1.00 0.00 O ATOM 453 OD2 ASP A 33 -0.805 8.668 9.215 1.00 0.00 O ATOM 0 H ASP A 33 2.598 11.066 7.644 1.00 0.00 H new ATOM 0 HA ASP A 33 2.379 8.133 7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.343 10.393 7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.030 8.737 6.801 1.00 0.00 H new ATOM 458 N LEU A 34 1.459 8.390 4.812 1.00 0.00 N ATOM 459 CA LEU A 34 1.509 8.370 3.354 1.00 0.00 C ATOM 460 C LEU A 34 0.145 8.704 2.758 1.00 0.00 C ATOM 461 O LEU A 34 -0.891 8.321 3.300 1.00 0.00 O ATOM 462 CB LEU A 34 1.972 6.998 2.859 1.00 0.00 C ATOM 463 CG LEU A 34 1.985 6.801 1.343 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.215 7.452 0.730 1.00 0.00 C ATOM 465 CD2 LEU A 34 1.935 5.319 0.998 1.00 0.00 C ATOM 0 H LEU A 34 0.797 7.730 5.221 1.00 0.00 H new ATOM 0 HA LEU A 34 2.223 9.127 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.978 6.818 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.326 6.238 3.299 1.00 0.00 H new ATOM 0 HG LEU A 34 1.100 7.281 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.207 7.301 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.208 8.520 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.113 7.002 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.945 5.197 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.801 4.816 1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.023 4.881 1.404 1.00 0.00 H new ATOM 477 N ASN A 35 0.154 9.419 1.637 1.00 0.00 N ATOM 478 CA ASN A 35 -1.082 9.803 0.966 1.00 0.00 C ATOM 479 C ASN A 35 -1.236 9.061 -0.358 1.00 0.00 C ATOM 480 O ASN A 35 -0.357 9.116 -1.218 1.00 0.00 O ATOM 481 CB ASN A 35 -1.106 11.314 0.723 1.00 0.00 C ATOM 482 CG ASN A 35 -1.193 12.106 2.013 1.00 0.00 C ATOM 483 OD1 ASN A 35 -2.128 12.880 2.218 1.00 0.00 O ATOM 484 ND2 ASN A 35 -0.214 11.916 2.890 1.00 0.00 N ATOM 0 H ASN A 35 1.003 9.744 1.175 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.917 9.532 1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.207 11.606 0.180 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.956 11.564 0.089 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.217 12.422 3.776 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.541 11.264 2.678 1.00 0.00 H new ATOM 491 N PHE A 36 -2.358 8.368 -0.514 1.00 0.00 N ATOM 492 CA PHE A 36 -2.628 7.614 -1.733 1.00 0.00 C ATOM 493 C PHE A 36 -4.095 7.735 -2.134 1.00 0.00 C ATOM 494 O PHE A 36 -4.879 8.405 -1.463 1.00 0.00 O ATOM 495 CB PHE A 36 -2.261 6.141 -1.538 1.00 0.00 C ATOM 496 CG PHE A 36 -2.958 5.498 -0.374 1.00 0.00 C ATOM 497 CD1 PHE A 36 -2.468 5.649 0.913 1.00 0.00 C ATOM 498 CD2 PHE A 36 -4.105 4.744 -0.566 1.00 0.00 C ATOM 499 CE1 PHE A 36 -3.107 5.058 1.987 1.00 0.00 C ATOM 500 CE2 PHE A 36 -4.749 4.151 0.504 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.250 4.309 1.782 1.00 0.00 C ATOM 0 H PHE A 36 -3.096 8.312 0.188 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.016 8.032 -2.532 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.506 5.591 -2.447 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.183 6.059 -1.396 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.576 6.235 1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.500 4.618 -1.563 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.713 5.182 2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.641 3.565 0.341 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.752 3.848 2.620 1.00 0.00 H new ATOM 511 N GLN A 37 -4.457 7.083 -3.234 1.00 0.00 N ATOM 512 CA GLN A 37 -5.829 7.119 -3.726 1.00 0.00 C ATOM 513 C GLN A 37 -6.321 5.717 -4.073 1.00 0.00 C ATOM 514 O GLN A 37 -5.530 4.780 -4.177 1.00 0.00 O ATOM 515 CB GLN A 37 -5.929 8.025 -4.955 1.00 0.00 C ATOM 516 CG GLN A 37 -6.143 9.491 -4.614 1.00 0.00 C ATOM 517 CD GLN A 37 -6.624 10.302 -5.801 1.00 0.00 C ATOM 518 OE1 GLN A 37 -5.919 11.187 -6.289 1.00 0.00 O ATOM 519 NE2 GLN A 37 -7.828 10.005 -6.273 1.00 0.00 N ATOM 0 H GLN A 37 -3.820 6.524 -3.801 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.461 7.521 -2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.017 7.927 -5.544 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.752 7.683 -5.583 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.871 9.570 -3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.209 9.914 -4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.378 9.264 -5.838 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.204 10.518 -7.071 1.00 0.00 H new ATOM 528 N ALA A 38 -7.631 5.582 -4.249 1.00 0.00 N ATOM 529 CA ALA A 38 -8.227 4.295 -4.585 1.00 0.00 C ATOM 530 C ALA A 38 -7.708 3.782 -5.924 1.00 0.00 C ATOM 531 O ALA A 38 -8.109 4.265 -6.983 1.00 0.00 O ATOM 532 CB ALA A 38 -9.744 4.407 -4.613 1.00 0.00 C ATOM 0 H ALA A 38 -8.300 6.348 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.941 3.578 -3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.176 3.438 -4.865 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.104 4.721 -3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.041 5.142 -5.361 1.00 0.00 H new ATOM 538 N GLY A 39 -6.813 2.801 -5.870 1.00 0.00 N ATOM 539 CA GLY A 39 -6.253 2.240 -7.086 1.00 0.00 C ATOM 540 C GLY A 39 -4.776 2.545 -7.239 1.00 0.00 C ATOM 541 O GLY A 39 -4.143 2.115 -8.203 1.00 0.00 O ATOM 0 H GLY A 39 -6.465 2.384 -5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.400 1.160 -7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.793 2.634 -7.947 1.00 0.00 H new ATOM 545 N ASP A 40 -4.227 3.291 -6.288 1.00 0.00 N ATOM 546 CA ASP A 40 -2.815 3.655 -6.321 1.00 0.00 C ATOM 547 C ASP A 40 -1.950 2.528 -5.766 1.00 0.00 C ATOM 548 O ASP A 40 -2.177 2.047 -4.656 1.00 0.00 O ATOM 549 CB ASP A 40 -2.577 4.938 -5.522 1.00 0.00 C ATOM 550 CG ASP A 40 -2.886 6.186 -6.325 1.00 0.00 C ATOM 551 OD1 ASP A 40 -4.034 6.318 -6.798 1.00 0.00 O ATOM 552 OD2 ASP A 40 -1.979 7.030 -6.481 1.00 0.00 O ATOM 0 H ASP A 40 -4.738 3.656 -5.484 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.534 3.826 -7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.196 4.924 -4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.539 4.970 -5.192 1.00 0.00 H new ATOM 557 N ARG A 41 -0.958 2.111 -6.547 1.00 0.00 N ATOM 558 CA ARG A 41 -0.061 1.039 -6.134 1.00 0.00 C ATOM 559 C ARG A 41 0.954 1.542 -5.112 1.00 0.00 C ATOM 560 O ARG A 41 1.673 2.510 -5.361 1.00 0.00 O ATOM 561 CB ARG A 41 0.668 0.459 -7.348 1.00 0.00 C ATOM 562 CG ARG A 41 -0.201 -0.450 -8.202 1.00 0.00 C ATOM 563 CD ARG A 41 -1.117 0.350 -9.115 1.00 0.00 C ATOM 564 NE ARG A 41 -1.844 -0.506 -10.048 1.00 0.00 N ATOM 565 CZ ARG A 41 -2.852 -0.081 -10.802 1.00 0.00 C ATOM 566 NH1 ARG A 41 -3.249 1.182 -10.734 1.00 0.00 N ATOM 567 NH2 ARG A 41 -3.464 -0.921 -11.628 1.00 0.00 N ATOM 0 H ARG A 41 -0.756 2.499 -7.468 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.661 0.256 -5.670 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.038 1.278 -7.965 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.538 -0.101 -7.006 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.433 -1.102 -8.802 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.800 -1.093 -7.557 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.828 0.914 -8.511 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.527 1.076 -9.674 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.563 -1.483 -10.125 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.780 1.831 -10.102 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.023 1.505 -11.314 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.160 -1.893 -11.684 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.238 -0.594 -12.207 1.00 0.00 H new ATOM 581 N ILE A 42 1.006 0.879 -3.962 1.00 0.00 N ATOM 582 CA ILE A 42 1.932 1.259 -2.902 1.00 0.00 C ATOM 583 C ILE A 42 3.009 0.197 -2.707 1.00 0.00 C ATOM 584 O ILE A 42 2.716 -0.939 -2.332 1.00 0.00 O ATOM 585 CB ILE A 42 1.199 1.482 -1.567 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.159 2.595 -1.711 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.194 1.819 -0.466 1.00 0.00 C ATOM 588 CD1 ILE A 42 -1.034 2.430 -0.795 1.00 0.00 C ATOM 0 H ILE A 42 0.418 0.076 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 42 2.399 2.194 -3.211 1.00 0.00 H new ATOM 0 HB ILE A 42 0.683 0.561 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.634 3.554 -1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.188 2.626 -2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.660 1.974 0.472 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.901 0.997 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.735 2.728 -0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.730 3.255 -0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.534 1.487 -1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.699 2.430 0.242 1.00 0.00 H new ATOM 600 N THR A 43 4.258 0.574 -2.962 1.00 0.00 N ATOM 601 CA THR A 43 5.379 -0.345 -2.813 1.00 0.00 C ATOM 602 C THR A 43 5.655 -0.643 -1.344 1.00 0.00 C ATOM 603 O THR A 43 6.374 0.098 -0.674 1.00 0.00 O ATOM 604 CB THR A 43 6.658 0.220 -3.459 1.00 0.00 C ATOM 605 OG1 THR A 43 6.452 0.417 -4.862 1.00 0.00 O ATOM 606 CG2 THR A 43 7.835 -0.718 -3.241 1.00 0.00 C ATOM 0 H THR A 43 4.518 1.510 -3.273 1.00 0.00 H new ATOM 0 HA THR A 43 5.100 -1.268 -3.322 1.00 0.00 H new ATOM 0 HB THR A 43 6.884 1.176 -2.987 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.269 0.778 -5.265 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.726 -0.297 -3.706 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.008 -0.842 -2.172 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.615 -1.687 -3.688 1.00 0.00 H new ATOM 614 N VAL A 44 5.079 -1.734 -0.848 1.00 0.00 N ATOM 615 CA VAL A 44 5.264 -2.131 0.543 1.00 0.00 C ATOM 616 C VAL A 44 6.726 -2.453 0.832 1.00 0.00 C ATOM 617 O VAL A 44 7.255 -3.460 0.360 1.00 0.00 O ATOM 618 CB VAL A 44 4.400 -3.356 0.896 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.602 -3.750 2.351 1.00 0.00 C ATOM 620 CG2 VAL A 44 2.933 -3.072 0.611 1.00 0.00 C ATOM 0 H VAL A 44 4.481 -2.358 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 44 4.952 -1.287 1.158 1.00 0.00 H new ATOM 0 HB VAL A 44 4.713 -4.192 0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.984 -4.617 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.650 -3.997 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.317 -2.919 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.337 -3.948 0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.604 -2.222 1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.806 -2.842 -0.447 1.00 0.00 H new ATOM 630 N ILE A 45 7.373 -1.593 1.611 1.00 0.00 N ATOM 631 CA ILE A 45 8.773 -1.787 1.964 1.00 0.00 C ATOM 632 C ILE A 45 8.908 -2.501 3.305 1.00 0.00 C ATOM 633 O ILE A 45 9.771 -3.362 3.478 1.00 0.00 O ATOM 634 CB ILE A 45 9.528 -0.447 2.032 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.678 0.607 2.744 1.00 0.00 C ATOM 636 CG2 ILE A 45 9.901 0.022 0.633 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.420 1.896 3.020 1.00 0.00 C ATOM 0 H ILE A 45 6.950 -0.755 2.010 1.00 0.00 H new ATOM 0 HA ILE A 45 9.213 -2.403 1.180 1.00 0.00 H new ATOM 0 HB ILE A 45 10.445 -0.592 2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.800 0.826 2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.318 0.195 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.434 0.971 0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.540 -0.722 0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.996 0.154 0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.756 2.597 3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.283 1.691 3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.757 2.331 2.079 1.00 0.00 H new ATOM 649 N SER A 46 8.047 -2.140 4.251 1.00 0.00 N ATOM 650 CA SER A 46 8.070 -2.744 5.578 1.00 0.00 C ATOM 651 C SER A 46 6.654 -2.976 6.094 1.00 0.00 C ATOM 652 O SER A 46 5.913 -2.029 6.359 1.00 0.00 O ATOM 653 CB SER A 46 8.842 -1.854 6.554 1.00 0.00 C ATOM 654 OG SER A 46 9.289 -2.594 7.676 1.00 0.00 O ATOM 0 H SER A 46 7.324 -1.432 4.123 1.00 0.00 H new ATOM 0 HA SER A 46 8.573 -3.708 5.502 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.696 -1.407 6.045 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.204 -1.035 6.886 1.00 0.00 H new ATOM 0 HG SER A 46 9.781 -2.002 8.283 1.00 0.00 H new ATOM 660 N LYS A 47 6.283 -4.244 6.236 1.00 0.00 N ATOM 661 CA LYS A 47 4.956 -4.604 6.722 1.00 0.00 C ATOM 662 C LYS A 47 5.035 -5.755 7.719 1.00 0.00 C ATOM 663 O LYS A 47 6.072 -6.407 7.850 1.00 0.00 O ATOM 664 CB LYS A 47 4.049 -4.991 5.551 1.00 0.00 C ATOM 665 CG LYS A 47 4.269 -6.410 5.055 1.00 0.00 C ATOM 666 CD LYS A 47 3.153 -6.855 4.125 1.00 0.00 C ATOM 667 CE LYS A 47 2.965 -8.364 4.161 1.00 0.00 C ATOM 668 NZ LYS A 47 1.769 -8.793 3.385 1.00 0.00 N ATOM 0 H LYS A 47 6.883 -5.040 6.021 1.00 0.00 H new ATOM 0 HA LYS A 47 4.535 -3.736 7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.008 -4.879 5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.217 -4.297 4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.224 -6.470 4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.327 -7.089 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.223 -6.365 4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.379 -6.540 3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.853 -8.850 3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.864 -8.693 5.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.577 -9.798 3.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.947 -8.225 3.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.947 -8.656 2.369 1.00 0.00 H new ATOM 682 N THR A 48 3.933 -6.002 8.420 1.00 0.00 N ATOM 683 CA THR A 48 3.878 -7.075 9.405 1.00 0.00 C ATOM 684 C THR A 48 2.893 -8.159 8.984 1.00 0.00 C ATOM 685 O THR A 48 2.227 -8.039 7.955 1.00 0.00 O ATOM 686 CB THR A 48 3.475 -6.543 10.793 1.00 0.00 C ATOM 687 OG1 THR A 48 2.099 -6.147 10.786 1.00 0.00 O ATOM 688 CG2 THR A 48 4.346 -5.361 11.193 1.00 0.00 C ATOM 0 H THR A 48 3.066 -5.473 8.324 1.00 0.00 H new ATOM 0 HA THR A 48 4.880 -7.501 9.463 1.00 0.00 H new ATOM 0 HB THR A 48 3.618 -7.343 11.520 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.893 -5.667 11.615 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.043 -5.002 12.177 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.390 -5.673 11.226 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.230 -4.560 10.463 1.00 0.00 H new ATOM 696 N ASP A 49 2.804 -9.215 9.784 1.00 0.00 N ATOM 697 CA ASP A 49 1.898 -10.320 9.494 1.00 0.00 C ATOM 698 C ASP A 49 0.490 -10.014 9.995 1.00 0.00 C ATOM 699 O ASP A 49 -0.195 -10.888 10.527 1.00 0.00 O ATOM 700 CB ASP A 49 2.411 -11.610 10.136 1.00 0.00 C ATOM 701 CG ASP A 49 1.808 -12.850 9.505 1.00 0.00 C ATOM 702 OD1 ASP A 49 0.601 -12.826 9.186 1.00 0.00 O ATOM 703 OD2 ASP A 49 2.543 -13.845 9.331 1.00 0.00 O ATOM 0 H ASP A 49 3.348 -9.329 10.639 1.00 0.00 H new ATOM 0 HA ASP A 49 1.859 -10.451 8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.496 -11.651 10.045 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.180 -11.599 11.201 1.00 0.00 H new ATOM 708 N SER A 50 0.064 -8.766 9.823 1.00 0.00 N ATOM 709 CA SER A 50 -1.260 -8.343 10.261 1.00 0.00 C ATOM 710 C SER A 50 -1.790 -7.215 9.380 1.00 0.00 C ATOM 711 O SER A 50 -1.147 -6.176 9.229 1.00 0.00 O ATOM 712 CB SER A 50 -1.216 -7.887 11.721 1.00 0.00 C ATOM 713 OG SER A 50 -0.300 -6.820 11.894 1.00 0.00 O ATOM 0 H SER A 50 0.617 -8.031 9.383 1.00 0.00 H new ATOM 0 HA SER A 50 -1.934 -9.196 10.174 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.210 -7.572 12.037 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.929 -8.724 12.358 1.00 0.00 H new ATOM 0 HG SER A 50 0.407 -6.883 11.218 1.00 0.00 H new ATOM 719 N HIS A 51 -2.967 -7.429 8.801 1.00 0.00 N ATOM 720 CA HIS A 51 -3.585 -6.431 7.935 1.00 0.00 C ATOM 721 C HIS A 51 -4.074 -5.235 8.747 1.00 0.00 C ATOM 722 O HIS A 51 -3.653 -4.101 8.516 1.00 0.00 O ATOM 723 CB HIS A 51 -4.750 -7.048 7.161 1.00 0.00 C ATOM 724 CG HIS A 51 -5.679 -7.852 8.018 1.00 0.00 C ATOM 725 ND1 HIS A 51 -6.893 -7.375 8.465 1.00 0.00 N ATOM 726 CD2 HIS A 51 -5.566 -9.109 8.507 1.00 0.00 C ATOM 727 CE1 HIS A 51 -7.487 -8.303 9.194 1.00 0.00 C ATOM 728 NE2 HIS A 51 -6.702 -9.365 9.235 1.00 0.00 N ATOM 0 H HIS A 51 -3.512 -8.284 8.916 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.832 -6.084 7.227 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.314 -6.252 6.675 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.354 -7.686 6.371 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.737 -9.784 8.353 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.450 -8.210 9.674 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.907 -10.234 9.728 1.00 0.00 H new ATOM 737 N PHE A 52 -4.966 -5.496 9.697 1.00 0.00 N ATOM 738 CA PHE A 52 -5.514 -4.441 10.542 1.00 0.00 C ATOM 739 C PHE A 52 -4.431 -3.439 10.931 1.00 0.00 C ATOM 740 O PHE A 52 -4.681 -2.235 11.003 1.00 0.00 O ATOM 741 CB PHE A 52 -6.145 -5.042 11.800 1.00 0.00 C ATOM 742 CG PHE A 52 -7.249 -4.202 12.376 1.00 0.00 C ATOM 743 CD1 PHE A 52 -6.987 -2.934 12.869 1.00 0.00 C ATOM 744 CD2 PHE A 52 -8.548 -4.681 12.426 1.00 0.00 C ATOM 745 CE1 PHE A 52 -8.001 -2.159 13.400 1.00 0.00 C ATOM 746 CE2 PHE A 52 -9.566 -3.911 12.956 1.00 0.00 C ATOM 747 CZ PHE A 52 -9.292 -2.648 13.443 1.00 0.00 C ATOM 0 H PHE A 52 -5.325 -6.429 9.901 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.282 -3.917 9.974 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.537 -6.031 11.563 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.371 -5.179 12.555 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.979 -2.547 12.838 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.768 -5.668 12.046 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.784 -1.172 13.781 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.574 -4.296 12.989 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.086 -2.044 13.857 1.00 0.00 H new ATOM 757 N ASP A 53 -3.228 -3.944 11.182 1.00 0.00 N ATOM 758 CA ASP A 53 -2.107 -3.094 11.564 1.00 0.00 C ATOM 759 C ASP A 53 -1.679 -2.204 10.401 1.00 0.00 C ATOM 760 O ASP A 53 -2.004 -2.477 9.246 1.00 0.00 O ATOM 761 CB ASP A 53 -0.927 -3.949 12.029 1.00 0.00 C ATOM 762 CG ASP A 53 -1.208 -4.660 13.338 1.00 0.00 C ATOM 763 OD1 ASP A 53 -2.287 -5.278 13.458 1.00 0.00 O ATOM 764 OD2 ASP A 53 -0.349 -4.600 14.242 1.00 0.00 O ATOM 0 H ASP A 53 -3.004 -4.938 11.128 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.430 -2.456 12.387 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.692 -4.686 11.262 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.047 -3.317 12.144 1.00 0.00 H new ATOM 769 N TRP A 54 -0.949 -1.140 10.715 1.00 0.00 N ATOM 770 CA TRP A 54 -0.478 -0.209 9.696 1.00 0.00 C ATOM 771 C TRP A 54 0.857 -0.665 9.117 1.00 0.00 C ATOM 772 O TRP A 54 1.740 -1.114 9.849 1.00 0.00 O ATOM 773 CB TRP A 54 -0.339 1.196 10.285 1.00 0.00 C ATOM 774 CG TRP A 54 -1.653 1.882 10.502 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.760 1.359 11.108 1.00 0.00 C ATOM 776 CD2 TRP A 54 -1.999 3.216 10.114 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.773 2.288 11.120 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.331 3.436 10.517 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.312 4.247 9.467 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -3.987 4.643 10.292 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -1.965 5.444 9.244 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.290 5.635 9.656 1.00 0.00 C ATOM 0 H TRP A 54 -0.670 -0.900 11.667 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.213 -0.187 8.892 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.191 1.133 11.235 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.274 1.803 9.618 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.829 0.362 11.518 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.703 2.146 11.514 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.289 4.110 9.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.009 4.792 10.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.444 6.247 8.743 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.771 6.583 9.468 1.00 0.00 H new ATOM 793 N TRP A 55 0.997 -0.549 7.802 1.00 0.00 N ATOM 794 CA TRP A 55 2.226 -0.950 7.126 1.00 0.00 C ATOM 795 C TRP A 55 2.953 0.262 6.555 1.00 0.00 C ATOM 796 O TRP A 55 2.413 1.367 6.532 1.00 0.00 O ATOM 797 CB TRP A 55 1.915 -1.947 6.008 1.00 0.00 C ATOM 798 CG TRP A 55 1.360 -3.246 6.509 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.382 -3.706 7.794 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.702 -4.253 5.732 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.778 -4.938 7.863 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.352 -5.295 6.612 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.373 -4.374 4.379 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.309 -6.442 6.181 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.282 -5.514 3.953 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.619 -6.535 4.851 1.00 0.00 C ATOM 0 H TRP A 55 0.275 -0.181 7.182 1.00 0.00 H new ATOM 0 HA TRP A 55 2.876 -1.428 7.859 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.201 -1.497 5.318 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.826 -2.143 5.442 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.811 -3.179 8.633 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.665 -5.496 8.709 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.626 -3.591 3.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.568 -7.231 6.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.539 -5.620 2.909 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.133 -7.412 4.487 1.00 0.00 H new ATOM 817 N GLU A 56 4.182 0.047 6.095 1.00 0.00 N ATOM 818 CA GLU A 56 4.983 1.124 5.525 1.00 0.00 C ATOM 819 C GLU A 56 5.314 0.840 4.062 1.00 0.00 C ATOM 820 O GLU A 56 6.001 -0.130 3.747 1.00 0.00 O ATOM 821 CB GLU A 56 6.275 1.307 6.325 1.00 0.00 C ATOM 822 CG GLU A 56 7.030 2.579 5.978 1.00 0.00 C ATOM 823 CD GLU A 56 8.270 2.772 6.828 1.00 0.00 C ATOM 824 OE1 GLU A 56 8.155 2.696 8.070 1.00 0.00 O ATOM 825 OE2 GLU A 56 9.355 2.998 6.253 1.00 0.00 O ATOM 0 H GLU A 56 4.644 -0.862 6.106 1.00 0.00 H new ATOM 0 HA GLU A 56 4.399 2.043 5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.036 1.315 7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.925 0.450 6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.316 2.552 4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.369 3.436 6.107 1.00 0.00 H new ATOM 832 N GLY A 57 4.818 1.695 3.173 1.00 0.00 N ATOM 833 CA GLY A 57 5.070 1.520 1.755 1.00 0.00 C ATOM 834 C GLY A 57 5.617 2.774 1.103 1.00 0.00 C ATOM 835 O GLY A 57 5.867 3.774 1.777 1.00 0.00 O ATOM 0 H GLY A 57 4.246 2.506 3.410 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.777 0.703 1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.144 1.230 1.258 1.00 0.00 H new ATOM 839 N LYS A 58 5.806 2.723 -0.211 1.00 0.00 N ATOM 840 CA LYS A 58 6.328 3.863 -0.955 1.00 0.00 C ATOM 841 C LYS A 58 5.464 4.157 -2.177 1.00 0.00 C ATOM 842 O LYS A 58 5.120 3.252 -2.939 1.00 0.00 O ATOM 843 CB LYS A 58 7.771 3.598 -1.389 1.00 0.00 C ATOM 844 CG LYS A 58 8.804 4.029 -0.363 1.00 0.00 C ATOM 845 CD LYS A 58 10.093 3.237 -0.501 1.00 0.00 C ATOM 846 CE LYS A 58 11.014 3.848 -1.545 1.00 0.00 C ATOM 847 NZ LYS A 58 12.394 3.294 -1.461 1.00 0.00 N ATOM 0 H LYS A 58 5.605 1.903 -0.783 1.00 0.00 H new ATOM 0 HA LYS A 58 6.307 4.733 -0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.892 2.533 -1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.962 4.121 -2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.015 5.092 -0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.399 3.895 0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.604 3.202 0.461 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.861 2.208 -0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.608 3.663 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.048 4.929 -1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.991 3.736 -2.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.791 3.493 -0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.365 2.266 -1.614 1.00 0.00 H new ATOM 861 N LEU A 59 5.118 5.426 -2.360 1.00 0.00 N ATOM 862 CA LEU A 59 4.295 5.839 -3.492 1.00 0.00 C ATOM 863 C LEU A 59 4.726 7.208 -4.007 1.00 0.00 C ATOM 864 O LEU A 59 5.114 8.081 -3.230 1.00 0.00 O ATOM 865 CB LEU A 59 2.820 5.875 -3.089 1.00 0.00 C ATOM 866 CG LEU A 59 1.871 6.556 -4.075 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.555 5.629 -5.239 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.592 6.988 -3.373 1.00 0.00 C ATOM 0 H LEU A 59 5.394 6.187 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 59 4.429 5.111 -4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.480 4.850 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.739 6.383 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 59 2.364 7.445 -4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.878 6.131 -5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.478 5.370 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.083 4.721 -4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.072 7.471 -4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.096 6.114 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.834 7.689 -2.574 1.00 0.00 H new ATOM 880 N ARG A 60 4.653 7.390 -5.322 1.00 0.00 N ATOM 881 CA ARG A 60 5.035 8.653 -5.941 1.00 0.00 C ATOM 882 C ARG A 60 6.351 9.166 -5.363 1.00 0.00 C ATOM 883 O ARG A 60 6.495 10.355 -5.080 1.00 0.00 O ATOM 884 CB ARG A 60 3.936 9.697 -5.739 1.00 0.00 C ATOM 885 CG ARG A 60 2.810 9.600 -6.755 1.00 0.00 C ATOM 886 CD ARG A 60 1.487 10.066 -6.168 1.00 0.00 C ATOM 887 NE ARG A 60 1.291 11.504 -6.332 1.00 0.00 N ATOM 888 CZ ARG A 60 0.931 12.071 -7.478 1.00 0.00 C ATOM 889 NH1 ARG A 60 0.728 11.324 -8.555 1.00 0.00 N ATOM 890 NH2 ARG A 60 0.773 13.386 -7.548 1.00 0.00 N ATOM 0 H ARG A 60 4.333 6.678 -5.979 1.00 0.00 H new ATOM 0 HA ARG A 60 5.170 8.479 -7.009 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.521 9.586 -4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.378 10.692 -5.792 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.054 10.204 -7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.715 8.569 -7.096 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.668 9.531 -6.650 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.452 9.814 -5.108 1.00 0.00 H new ATOM 0 HE ARG A 60 1.439 12.106 -5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.848 10.312 -8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.452 11.761 -9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.928 13.963 -6.721 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.497 13.820 -8.429 1.00 0.00 H new ATOM 904 N GLY A 61 7.309 8.260 -5.189 1.00 0.00 N ATOM 905 CA GLY A 61 8.599 8.640 -4.645 1.00 0.00 C ATOM 906 C GLY A 61 8.496 9.183 -3.234 1.00 0.00 C ATOM 907 O GLY A 61 9.211 10.116 -2.868 1.00 0.00 O ATOM 0 H GLY A 61 7.214 7.270 -5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.261 7.774 -4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.054 9.393 -5.289 1.00 0.00 H new ATOM 911 N GLN A 62 7.604 8.599 -2.440 1.00 0.00 N ATOM 912 CA GLN A 62 7.409 9.033 -1.062 1.00 0.00 C ATOM 913 C GLN A 62 7.376 7.838 -0.115 1.00 0.00 C ATOM 914 O GLN A 62 7.350 6.686 -0.551 1.00 0.00 O ATOM 915 CB GLN A 62 6.113 9.835 -0.935 1.00 0.00 C ATOM 916 CG GLN A 62 6.056 11.047 -1.851 1.00 0.00 C ATOM 917 CD GLN A 62 6.782 12.247 -1.277 1.00 0.00 C ATOM 918 OE1 GLN A 62 6.325 12.861 -0.313 1.00 0.00 O ATOM 919 NE2 GLN A 62 7.921 12.588 -1.868 1.00 0.00 N ATOM 0 H GLN A 62 7.005 7.825 -2.727 1.00 0.00 H new ATOM 0 HA GLN A 62 8.250 9.670 -0.786 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.268 9.182 -1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.999 10.165 0.098 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.494 10.790 -2.815 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.014 11.311 -2.034 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.263 12.051 -2.665 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.454 13.387 -1.525 1.00 0.00 H new ATOM 928 N THR A 63 7.377 8.118 1.185 1.00 0.00 N ATOM 929 CA THR A 63 7.349 7.067 2.194 1.00 0.00 C ATOM 930 C THR A 63 6.473 7.464 3.377 1.00 0.00 C ATOM 931 O THR A 63 6.487 8.613 3.815 1.00 0.00 O ATOM 932 CB THR A 63 8.765 6.740 2.705 1.00 0.00 C ATOM 933 OG1 THR A 63 9.698 6.781 1.620 1.00 0.00 O ATOM 934 CG2 THR A 63 8.800 5.368 3.361 1.00 0.00 C ATOM 0 H THR A 63 7.397 9.065 1.563 1.00 0.00 H new ATOM 0 HA THR A 63 6.930 6.181 1.716 1.00 0.00 H new ATOM 0 HB THR A 63 9.041 7.487 3.449 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.596 6.574 1.953 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.810 5.159 3.714 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.110 5.350 4.205 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.505 4.610 2.635 1.00 0.00 H new ATOM 942 N GLY A 64 5.710 6.503 3.891 1.00 0.00 N ATOM 943 CA GLY A 64 4.838 6.773 5.019 1.00 0.00 C ATOM 944 C GLY A 64 4.061 5.547 5.457 1.00 0.00 C ATOM 945 O GLY A 64 4.112 4.505 4.803 1.00 0.00 O ATOM 0 H GLY A 64 5.681 5.543 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.433 7.140 5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.139 7.566 4.753 1.00 0.00 H new ATOM 949 N ILE A 65 3.342 5.670 6.568 1.00 0.00 N ATOM 950 CA ILE A 65 2.552 4.563 7.093 1.00 0.00 C ATOM 951 C ILE A 65 1.095 4.673 6.659 1.00 0.00 C ATOM 952 O ILE A 65 0.583 5.771 6.437 1.00 0.00 O ATOM 953 CB ILE A 65 2.616 4.505 8.630 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.226 5.858 9.230 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.009 4.099 9.088 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.724 5.766 10.654 1.00 0.00 C ATOM 0 H ILE A 65 3.290 6.525 7.122 1.00 0.00 H new ATOM 0 HA ILE A 65 2.981 3.648 6.685 1.00 0.00 H new ATOM 0 HB ILE A 65 1.907 3.755 8.980 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.090 6.522 9.200 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.453 6.312 8.610 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.038 4.063 10.177 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.252 3.116 8.686 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.736 4.828 8.730 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.466 6.762 11.014 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.841 5.128 10.688 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.503 5.341 11.288 1.00 0.00 H new ATOM 968 N PHE A 66 0.430 3.529 6.542 1.00 0.00 N ATOM 969 CA PHE A 66 -0.970 3.496 6.135 1.00 0.00 C ATOM 970 C PHE A 66 -1.622 2.175 6.534 1.00 0.00 C ATOM 971 O PHE A 66 -0.966 1.139 6.646 1.00 0.00 O ATOM 972 CB PHE A 66 -1.090 3.701 4.624 1.00 0.00 C ATOM 973 CG PHE A 66 -0.535 2.561 3.819 1.00 0.00 C ATOM 974 CD1 PHE A 66 -1.325 1.466 3.507 1.00 0.00 C ATOM 975 CD2 PHE A 66 0.778 2.584 3.374 1.00 0.00 C ATOM 976 CE1 PHE A 66 -0.817 0.416 2.766 1.00 0.00 C ATOM 977 CE2 PHE A 66 1.290 1.536 2.632 1.00 0.00 C ATOM 978 CZ PHE A 66 0.493 0.450 2.329 1.00 0.00 C ATOM 0 H PHE A 66 0.838 2.612 6.723 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.489 4.306 6.646 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.140 3.840 4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.570 4.618 4.347 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.350 1.433 3.847 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.407 3.430 3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.444 -0.431 2.529 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.314 1.567 2.289 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.893 -0.371 1.752 1.00 0.00 H new ATOM 988 N PRO A 67 -2.945 2.211 6.754 1.00 0.00 N ATOM 989 CA PRO A 67 -3.715 1.026 7.144 1.00 0.00 C ATOM 990 C PRO A 67 -3.832 0.012 6.010 1.00 0.00 C ATOM 991 O PRO A 67 -4.329 0.329 4.931 1.00 0.00 O ATOM 992 CB PRO A 67 -5.091 1.597 7.494 1.00 0.00 C ATOM 993 CG PRO A 67 -5.188 2.861 6.711 1.00 0.00 C ATOM 994 CD PRO A 67 -3.790 3.411 6.639 1.00 0.00 C ATOM 0 HA PRO A 67 -3.242 0.484 7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.887 0.903 7.225 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.180 1.786 8.564 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.585 2.673 5.714 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.862 3.569 7.194 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.613 3.938 5.702 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.595 4.119 7.445 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.370 -1.208 6.264 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.426 -2.268 5.266 1.00 0.00 C ATOM 1004 C ALA A 68 -4.858 -2.511 4.802 1.00 0.00 C ATOM 1005 O ALA A 68 -5.091 -2.905 3.660 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.826 -3.550 5.825 1.00 0.00 C ATOM 0 H ALA A 68 -2.953 -1.486 7.152 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.841 -1.951 4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.874 -4.334 5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.786 -3.375 6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.388 -3.861 6.706 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.813 -2.272 5.695 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.223 -2.466 5.376 1.00 0.00 C ATOM 1014 C ASN A 69 -7.636 -1.602 4.188 1.00 0.00 C ATOM 1015 O ASN A 69 -8.697 -1.806 3.598 1.00 0.00 O ATOM 1016 CB ASN A 69 -8.092 -2.133 6.590 1.00 0.00 C ATOM 1017 CG ASN A 69 -9.551 -1.943 6.221 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -9.998 -0.825 5.965 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -10.301 -3.038 6.194 1.00 0.00 N ATOM 0 H ASN A 69 -5.636 -1.944 6.645 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.369 -3.513 5.109 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.007 -2.933 7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.718 -1.225 7.063 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.290 -2.973 5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.888 -3.945 6.413 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.790 -0.639 3.842 1.00 0.00 N ATOM 1027 CA TYR A 70 -7.067 0.258 2.726 1.00 0.00 C ATOM 1028 C TYR A 70 -6.367 -0.220 1.457 1.00 0.00 C ATOM 1029 O TYR A 70 -6.306 0.499 0.460 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.619 1.681 3.064 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.628 2.455 3.882 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -8.211 1.895 5.012 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -7.996 3.746 3.526 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -9.134 2.599 5.762 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.917 4.457 4.271 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.483 3.879 5.388 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.401 4.584 6.133 1.00 0.00 O ATOM 0 H TYR A 70 -5.906 -0.459 4.318 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.143 0.256 2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.678 1.636 3.611 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.424 2.221 2.138 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.938 0.893 5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.555 4.202 2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.580 2.149 6.637 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.192 5.460 3.980 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.535 5.470 5.735 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.840 -1.439 1.503 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.146 -2.016 0.357 1.00 0.00 C ATOM 1049 C VAL A 71 -5.417 -3.512 0.247 1.00 0.00 C ATOM 1050 O VAL A 71 -6.021 -4.113 1.136 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.626 -1.786 0.449 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.322 -0.319 0.712 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -3.018 -2.667 1.530 1.00 0.00 C ATOM 0 H VAL A 71 -5.880 -2.047 2.321 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.529 -1.514 -0.532 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.177 -2.060 -0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.243 -0.176 0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.722 0.287 -0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.783 -0.015 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.943 -2.491 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.471 -2.427 2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.203 -3.715 1.293 1.00 0.00 H new ATOM 1063 N THR A 72 -4.965 -4.110 -0.852 1.00 0.00 N ATOM 1064 CA THR A 72 -5.159 -5.536 -1.080 1.00 0.00 C ATOM 1065 C THR A 72 -3.919 -6.166 -1.704 1.00 0.00 C ATOM 1066 O THR A 72 -3.123 -5.485 -2.349 1.00 0.00 O ATOM 1067 CB THR A 72 -6.370 -5.799 -1.995 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.622 -7.206 -2.082 1.00 0.00 O ATOM 1069 CG2 THR A 72 -6.129 -5.234 -3.387 1.00 0.00 C ATOM 0 H THR A 72 -4.462 -3.628 -1.597 1.00 0.00 H new ATOM 0 HA THR A 72 -5.343 -5.990 -0.106 1.00 0.00 H new ATOM 0 HB THR A 72 -7.239 -5.301 -1.564 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.394 -7.365 -2.664 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.997 -5.432 -4.015 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.967 -4.158 -3.320 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.250 -5.707 -3.824 1.00 0.00 H new