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 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= -0.0868 USER MOD Single : A 35 ASN : amide:sc= -1.03 K(o=-1,f=-1.6) USER MOD Single : A 37 GLN : amide:sc= -2.02! C(o=-2!,f=-7.3!) 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+ -115:sc= 0.917 (180deg=-0.625) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 19:sc= 0.425 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 63 THR OG1 : rot 180:sc=-0.00453 USER MOD Single : A 69 ASN : amide:sc= -0.0181 X(o=-0.018,f=-0.014) 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 10.459 -5.721 -2.124 1.00 0.00 N ATOM 211 CA PRO A 17 9.209 -5.067 -1.724 1.00 0.00 C ATOM 212 C PRO A 17 7.982 -5.746 -2.322 1.00 0.00 C ATOM 213 O PRO A 17 8.103 -6.668 -3.130 1.00 0.00 O ATOM 214 CB PRO A 17 9.358 -3.648 -2.277 1.00 0.00 C ATOM 215 CG PRO A 17 10.302 -3.784 -3.421 1.00 0.00 C ATOM 216 CD PRO A 17 11.251 -4.889 -3.045 1.00 0.00 C ATOM 0 HA PRO A 17 9.057 -5.105 -0.645 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.398 -3.247 -2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.748 -2.967 -1.520 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.769 -4.024 -4.341 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.839 -2.852 -3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.576 -5.454 -3.919 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.149 -4.501 -2.564 1.00 0.00 H new ATOM 224 N ILE A 18 6.802 -5.286 -1.921 1.00 0.00 N ATOM 225 CA ILE A 18 5.553 -5.849 -2.420 1.00 0.00 C ATOM 226 C ILE A 18 4.673 -4.769 -3.042 1.00 0.00 C ATOM 227 O ILE A 18 4.761 -3.598 -2.677 1.00 0.00 O ATOM 228 CB ILE A 18 4.766 -6.554 -1.299 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.728 -7.222 -0.314 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.807 -7.577 -1.889 1.00 0.00 C ATOM 231 CD1 ILE A 18 5.052 -7.726 0.942 1.00 0.00 C ATOM 0 H ILE A 18 6.684 -4.525 -1.252 1.00 0.00 H new ATOM 0 HA ILE A 18 5.819 -6.581 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 18 4.183 -5.808 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.223 -8.057 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.505 -6.510 -0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.258 -8.067 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.105 -7.076 -2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.370 -8.322 -2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.794 -8.187 1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.581 -6.892 1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.294 -8.463 0.677 1.00 0.00 H new ATOM 243 N GLU A 19 3.825 -5.174 -3.981 1.00 0.00 N ATOM 244 CA GLU A 19 2.928 -4.241 -4.653 1.00 0.00 C ATOM 245 C GLU A 19 1.479 -4.486 -4.240 1.00 0.00 C ATOM 246 O GLU A 19 0.960 -5.593 -4.382 1.00 0.00 O ATOM 247 CB GLU A 19 3.065 -4.370 -6.172 1.00 0.00 C ATOM 248 CG GLU A 19 4.175 -3.513 -6.757 1.00 0.00 C ATOM 249 CD GLU A 19 4.291 -3.657 -8.262 1.00 0.00 C ATOM 250 OE1 GLU A 19 3.416 -3.128 -8.979 1.00 0.00 O ATOM 251 OE2 GLU A 19 5.257 -4.300 -8.723 1.00 0.00 O ATOM 0 H GLU A 19 3.740 -6.141 -4.294 1.00 0.00 H new ATOM 0 HA GLU A 19 3.207 -3.231 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.252 -5.414 -6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.120 -4.094 -6.639 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.991 -2.468 -6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.123 -3.788 -6.295 1.00 0.00 H new ATOM 258 N VAL A 20 0.832 -3.444 -3.727 1.00 0.00 N ATOM 259 CA VAL A 20 -0.556 -3.544 -3.293 1.00 0.00 C ATOM 260 C VAL A 20 -1.400 -2.422 -3.887 1.00 0.00 C ATOM 261 O VAL A 20 -0.936 -1.290 -4.032 1.00 0.00 O ATOM 262 CB VAL A 20 -0.669 -3.499 -1.758 1.00 0.00 C ATOM 263 CG1 VAL A 20 0.065 -4.676 -1.133 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.132 -2.180 -1.223 1.00 0.00 C ATOM 0 H VAL A 20 1.247 -2.521 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.930 -4.504 -3.649 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.722 -3.573 -1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.026 -4.627 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.371 -5.609 -1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.118 -4.637 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.220 -2.165 -0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.916 -2.073 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.707 -1.355 -1.644 1.00 0.00 H new ATOM 274 N THR A 21 -2.644 -2.742 -4.230 1.00 0.00 N ATOM 275 CA THR A 21 -3.553 -1.761 -4.809 1.00 0.00 C ATOM 276 C THR A 21 -4.469 -1.166 -3.746 1.00 0.00 C ATOM 277 O THR A 21 -5.223 -1.883 -3.090 1.00 0.00 O ATOM 278 CB THR A 21 -4.416 -2.384 -5.923 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.577 -3.014 -6.898 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.277 -1.326 -6.596 1.00 0.00 C ATOM 0 H THR A 21 -3.045 -3.673 -4.117 1.00 0.00 H new ATOM 0 HA THR A 21 -2.935 -0.971 -5.236 1.00 0.00 H new ATOM 0 HB THR A 21 -5.071 -3.129 -5.471 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.133 -3.409 -7.602 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.877 -1.789 -7.379 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.935 -0.868 -5.857 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.637 -0.561 -7.035 1.00 0.00 H new ATOM 288 N ALA A 22 -4.398 0.151 -3.581 1.00 0.00 N ATOM 289 CA ALA A 22 -5.223 0.844 -2.599 1.00 0.00 C ATOM 290 C ALA A 22 -6.705 0.698 -2.927 1.00 0.00 C ATOM 291 O ALA A 22 -7.196 1.272 -3.901 1.00 0.00 O ATOM 292 CB ALA A 22 -4.838 2.314 -2.529 1.00 0.00 C ATOM 0 H ALA A 22 -3.777 0.759 -4.115 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.046 0.387 -1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.462 2.819 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.791 2.402 -2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.985 2.775 -3.506 1.00 0.00 H new ATOM 298 N LEU A 23 -7.414 -0.073 -2.110 1.00 0.00 N ATOM 299 CA LEU A 23 -8.842 -0.294 -2.314 1.00 0.00 C ATOM 300 C LEU A 23 -9.626 1.001 -2.132 1.00 0.00 C ATOM 301 O LEU A 23 -10.652 1.214 -2.778 1.00 0.00 O ATOM 302 CB LEU A 23 -9.357 -1.356 -1.341 1.00 0.00 C ATOM 303 CG LEU A 23 -8.628 -2.700 -1.367 1.00 0.00 C ATOM 304 CD1 LEU A 23 -9.126 -3.599 -0.246 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.807 -3.379 -2.717 1.00 0.00 C ATOM 0 H LEU A 23 -7.024 -0.556 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.988 -0.644 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.298 -0.953 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.411 -1.533 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.564 -2.517 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.596 -4.551 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.945 -3.117 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.195 -3.774 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.281 -4.334 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.868 -3.549 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.400 -2.741 -3.502 1.00 0.00 H new ATOM 317 N TYR A 24 -9.134 1.865 -1.250 1.00 0.00 N ATOM 318 CA TYR A 24 -9.788 3.140 -0.983 1.00 0.00 C ATOM 319 C TYR A 24 -8.761 4.255 -0.815 1.00 0.00 C ATOM 320 O TYR A 24 -7.580 3.997 -0.581 1.00 0.00 O ATOM 321 CB TYR A 24 -10.657 3.039 0.272 1.00 0.00 C ATOM 322 CG TYR A 24 -11.504 1.787 0.323 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.718 1.719 -0.349 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.090 0.673 1.043 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.496 0.579 -0.305 1.00 0.00 C ATOM 326 CE2 TYR A 24 -11.861 -0.472 1.091 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.063 -0.515 0.416 1.00 0.00 C ATOM 328 OH TYR A 24 -13.834 -1.654 0.463 1.00 0.00 O ATOM 0 H TYR A 24 -8.285 1.705 -0.708 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.421 3.380 -1.837 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.015 3.069 1.152 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.309 3.911 0.323 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.059 2.573 -0.916 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.150 0.703 1.574 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.438 0.544 -0.832 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.524 -1.330 1.654 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.385 -2.330 1.012 1.00 0.00 H new ATOM 338 N SER A 25 -9.219 5.497 -0.937 1.00 0.00 N ATOM 339 CA SER A 25 -8.340 6.653 -0.802 1.00 0.00 C ATOM 340 C SER A 25 -7.971 6.887 0.659 1.00 0.00 C ATOM 341 O SER A 25 -8.622 6.368 1.567 1.00 0.00 O ATOM 342 CB SER A 25 -9.013 7.901 -1.376 1.00 0.00 C ATOM 343 OG SER A 25 -8.057 8.902 -1.678 1.00 0.00 O ATOM 0 H SER A 25 -10.194 5.729 -1.129 1.00 0.00 H new ATOM 0 HA SER A 25 -7.426 6.451 -1.361 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.566 7.638 -2.278 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.737 8.289 -0.660 1.00 0.00 H new ATOM 0 HG SER A 25 -8.512 9.689 -2.045 1.00 0.00 H new ATOM 349 N PHE A 26 -6.922 7.672 0.879 1.00 0.00 N ATOM 350 CA PHE A 26 -6.463 7.975 2.230 1.00 0.00 C ATOM 351 C PHE A 26 -5.641 9.260 2.250 1.00 0.00 C ATOM 352 O PHE A 26 -5.148 9.709 1.216 1.00 0.00 O ATOM 353 CB PHE A 26 -5.631 6.815 2.782 1.00 0.00 C ATOM 354 CG PHE A 26 -4.926 7.142 4.067 1.00 0.00 C ATOM 355 CD1 PHE A 26 -5.601 7.090 5.276 1.00 0.00 C ATOM 356 CD2 PHE A 26 -3.588 7.501 4.066 1.00 0.00 C ATOM 357 CE1 PHE A 26 -4.954 7.389 6.460 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.936 7.801 5.247 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.620 7.746 6.445 1.00 0.00 C ATOM 0 H PHE A 26 -6.373 8.110 0.139 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.340 8.116 2.861 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.282 5.956 2.942 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.892 6.521 2.036 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.645 6.813 5.293 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.048 7.547 3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.491 7.344 7.396 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.892 8.078 5.233 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.113 7.982 7.369 1.00 0.00 H new ATOM 369 N GLU A 27 -5.499 9.846 3.435 1.00 0.00 N ATOM 370 CA GLU A 27 -4.737 11.081 3.589 1.00 0.00 C ATOM 371 C GLU A 27 -3.949 11.074 4.895 1.00 0.00 C ATOM 372 O GLU A 27 -4.521 11.188 5.979 1.00 0.00 O ATOM 373 CB GLU A 27 -5.673 12.291 3.551 1.00 0.00 C ATOM 374 CG GLU A 27 -5.907 12.835 2.152 1.00 0.00 C ATOM 375 CD GLU A 27 -6.668 14.147 2.156 1.00 0.00 C ATOM 376 OE1 GLU A 27 -7.852 14.145 2.551 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.078 15.176 1.764 1.00 0.00 O ATOM 0 H GLU A 27 -5.901 9.487 4.301 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.032 11.150 2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.632 12.012 3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.256 13.082 4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.947 12.978 1.656 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.461 12.100 1.568 1.00 0.00 H new ATOM 384 N GLY A 28 -2.631 10.939 4.784 1.00 0.00 N ATOM 385 CA GLY A 28 -1.785 10.919 5.963 1.00 0.00 C ATOM 386 C GLY A 28 -2.095 12.054 6.918 1.00 0.00 C ATOM 387 O GLY A 28 -1.694 13.194 6.687 1.00 0.00 O ATOM 0 H GLY A 28 -2.134 10.843 3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.911 9.968 6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.740 10.980 5.658 1.00 0.00 H new ATOM 439 N GLY A 32 4.030 12.020 9.314 1.00 0.00 N ATOM 440 CA GLY A 32 4.857 10.881 8.961 1.00 0.00 C ATOM 441 C GLY A 32 4.061 9.764 8.316 1.00 0.00 C ATOM 442 O GLY A 32 4.398 8.589 8.459 1.00 0.00 O ATOM 0 HA2 GLY A 32 5.643 11.204 8.278 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.349 10.502 9.857 1.00 0.00 H new ATOM 446 N ASP A 33 3.000 10.130 7.605 1.00 0.00 N ATOM 447 CA ASP A 33 2.152 9.150 6.936 1.00 0.00 C ATOM 448 C ASP A 33 2.288 9.258 5.420 1.00 0.00 C ATOM 449 O ASP A 33 3.073 10.060 4.912 1.00 0.00 O ATOM 450 CB ASP A 33 0.691 9.344 7.345 1.00 0.00 C ATOM 451 CG ASP A 33 0.455 9.041 8.811 1.00 0.00 C ATOM 452 OD1 ASP A 33 1.365 8.476 9.455 1.00 0.00 O ATOM 453 OD2 ASP A 33 -0.638 9.369 9.316 1.00 0.00 O ATOM 0 H ASP A 33 2.707 11.098 7.477 1.00 0.00 H new ATOM 0 HA ASP A 33 2.477 8.156 7.242 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.392 10.371 7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.058 8.698 6.737 1.00 0.00 H new ATOM 458 N LEU A 34 1.520 8.446 4.703 1.00 0.00 N ATOM 459 CA LEU A 34 1.555 8.449 3.245 1.00 0.00 C ATOM 460 C LEU A 34 0.184 8.788 2.668 1.00 0.00 C ATOM 461 O LEU A 34 -0.846 8.435 3.241 1.00 0.00 O ATOM 462 CB LEU A 34 2.017 7.087 2.723 1.00 0.00 C ATOM 463 CG LEU A 34 2.058 6.930 1.203 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.376 7.448 0.648 1.00 0.00 C ATOM 465 CD2 LEU A 34 1.848 5.474 0.812 1.00 0.00 C ATOM 0 H LEU A 34 0.865 7.777 5.108 1.00 0.00 H new ATOM 0 HA LEU A 34 2.263 9.213 2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.014 6.889 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.356 6.321 3.130 1.00 0.00 H new ATOM 0 HG LEU A 34 1.249 7.521 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.387 7.328 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.486 8.503 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.201 6.884 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.880 5.380 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.635 4.862 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.878 5.136 1.177 1.00 0.00 H new ATOM 477 N ASN A 35 0.180 9.473 1.530 1.00 0.00 N ATOM 478 CA ASN A 35 -1.065 9.859 0.874 1.00 0.00 C ATOM 479 C ASN A 35 -1.242 9.107 -0.441 1.00 0.00 C ATOM 480 O ASN A 35 -0.405 9.198 -1.339 1.00 0.00 O ATOM 481 CB ASN A 35 -1.085 11.367 0.619 1.00 0.00 C ATOM 482 CG ASN A 35 -1.404 12.161 1.871 1.00 0.00 C ATOM 483 OD1 ASN A 35 -2.444 12.815 1.956 1.00 0.00 O ATOM 484 ND2 ASN A 35 -0.508 12.108 2.850 1.00 0.00 N ATOM 0 H ASN A 35 1.024 9.773 1.042 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.891 9.598 1.535 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.116 11.680 0.231 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.824 11.593 -0.149 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.668 12.622 3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.340 11.553 2.736 1.00 0.00 H new ATOM 491 N PHE A 36 -2.339 8.364 -0.548 1.00 0.00 N ATOM 492 CA PHE A 36 -2.627 7.595 -1.754 1.00 0.00 C ATOM 493 C PHE A 36 -4.104 7.696 -2.123 1.00 0.00 C ATOM 494 O PHE A 36 -4.891 8.315 -1.408 1.00 0.00 O ATOM 495 CB PHE A 36 -2.238 6.129 -1.554 1.00 0.00 C ATOM 496 CG PHE A 36 -2.932 5.478 -0.392 1.00 0.00 C ATOM 497 CD1 PHE A 36 -2.445 5.629 0.896 1.00 0.00 C ATOM 498 CD2 PHE A 36 -4.072 4.715 -0.588 1.00 0.00 C ATOM 499 CE1 PHE A 36 -3.081 5.030 1.967 1.00 0.00 C ATOM 500 CE2 PHE A 36 -4.713 4.114 0.480 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.217 4.273 1.759 1.00 0.00 C ATOM 0 H PHE A 36 -3.043 8.278 0.185 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.038 8.012 -2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.469 5.573 -2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.160 6.064 -1.406 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.558 6.222 1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.464 4.588 -1.586 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.690 5.154 2.966 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.600 3.521 0.314 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.717 3.806 2.595 1.00 0.00 H new ATOM 511 N GLN A 37 -4.470 7.083 -3.244 1.00 0.00 N ATOM 512 CA GLN A 37 -5.852 7.105 -3.709 1.00 0.00 C ATOM 513 C GLN A 37 -6.296 5.718 -4.163 1.00 0.00 C ATOM 514 O GLN A 37 -5.482 4.911 -4.611 1.00 0.00 O ATOM 515 CB GLN A 37 -6.011 8.105 -4.856 1.00 0.00 C ATOM 516 CG GLN A 37 -5.754 9.546 -4.446 1.00 0.00 C ATOM 517 CD GLN A 37 -4.299 9.945 -4.596 1.00 0.00 C ATOM 518 OE1 GLN A 37 -3.504 9.798 -3.668 1.00 0.00 O ATOM 519 NE2 GLN A 37 -3.943 10.454 -5.770 1.00 0.00 N ATOM 0 H GLN A 37 -3.830 6.566 -3.846 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.484 7.414 -2.876 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.325 7.836 -5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.020 8.025 -5.259 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.373 10.208 -5.052 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.060 9.685 -3.409 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.635 10.558 -6.512 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.977 10.741 -5.930 1.00 0.00 H new ATOM 528 N ALA A 38 -7.592 5.448 -4.044 1.00 0.00 N ATOM 529 CA ALA A 38 -8.143 4.160 -4.443 1.00 0.00 C ATOM 530 C ALA A 38 -7.642 3.752 -5.825 1.00 0.00 C ATOM 531 O ALA A 38 -8.096 4.277 -6.840 1.00 0.00 O ATOM 532 CB ALA A 38 -9.664 4.208 -4.425 1.00 0.00 C ATOM 0 H ALA A 38 -8.279 6.105 -3.674 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.805 3.411 -3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.062 3.239 -4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.009 4.446 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.012 4.974 -5.118 1.00 0.00 H new ATOM 538 N GLY A 39 -6.702 2.813 -5.855 1.00 0.00 N ATOM 539 CA GLY A 39 -6.154 2.352 -7.117 1.00 0.00 C ATOM 540 C GLY A 39 -4.647 2.506 -7.186 1.00 0.00 C ATOM 541 O GLY A 39 -3.958 1.679 -7.783 1.00 0.00 O ATOM 0 H GLY A 39 -6.310 2.363 -5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.416 1.304 -7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.611 2.911 -7.934 1.00 0.00 H new ATOM 545 N ASP A 40 -4.134 3.568 -6.574 1.00 0.00 N ATOM 546 CA ASP A 40 -2.699 3.828 -6.569 1.00 0.00 C ATOM 547 C ASP A 40 -1.939 2.670 -5.930 1.00 0.00 C ATOM 548 O ASP A 40 -2.291 2.207 -4.845 1.00 0.00 O ATOM 549 CB ASP A 40 -2.398 5.128 -5.820 1.00 0.00 C ATOM 550 CG ASP A 40 -2.419 6.339 -6.732 1.00 0.00 C ATOM 551 OD1 ASP A 40 -1.592 6.393 -7.666 1.00 0.00 O ATOM 552 OD2 ASP A 40 -3.263 7.232 -6.511 1.00 0.00 O ATOM 0 H ASP A 40 -4.690 4.262 -6.075 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.369 3.928 -7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.130 5.263 -5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.420 5.052 -5.344 1.00 0.00 H new ATOM 557 N ARG A 41 -0.896 2.207 -6.610 1.00 0.00 N ATOM 558 CA ARG A 41 -0.087 1.102 -6.110 1.00 0.00 C ATOM 559 C ARG A 41 0.935 1.594 -5.089 1.00 0.00 C ATOM 560 O ARG A 41 1.687 2.532 -5.353 1.00 0.00 O ATOM 561 CB ARG A 41 0.628 0.401 -7.266 1.00 0.00 C ATOM 562 CG ARG A 41 -0.273 -0.524 -8.069 1.00 0.00 C ATOM 563 CD ARG A 41 -1.146 0.254 -9.041 1.00 0.00 C ATOM 564 NE ARG A 41 -0.363 0.868 -10.109 1.00 0.00 N ATOM 565 CZ ARG A 41 -0.885 1.283 -11.258 1.00 0.00 C ATOM 566 NH1 ARG A 41 -2.184 1.151 -11.486 1.00 0.00 N ATOM 567 NH2 ARG A 41 -0.107 1.832 -12.182 1.00 0.00 N ATOM 0 H ARG A 41 -0.591 2.580 -7.509 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.752 0.392 -5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.048 1.154 -7.933 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.464 -0.175 -6.869 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.337 -1.240 -8.619 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.904 -1.098 -7.391 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.890 -0.414 -9.475 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.690 1.028 -8.500 1.00 0.00 H new ATOM 0 HE ARG A 41 0.640 0.985 -9.965 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.786 0.730 -10.778 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.582 1.471 -12.369 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.893 1.936 -12.011 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.509 2.150 -13.064 1.00 0.00 H new ATOM 581 N ILE A 42 0.954 0.955 -3.924 1.00 0.00 N ATOM 582 CA ILE A 42 1.884 1.328 -2.865 1.00 0.00 C ATOM 583 C ILE A 42 2.955 0.260 -2.673 1.00 0.00 C ATOM 584 O ILE A 42 2.663 -0.863 -2.263 1.00 0.00 O ATOM 585 CB ILE A 42 1.153 1.552 -1.528 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.096 2.648 -1.677 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.148 1.912 -0.435 1.00 0.00 C ATOM 588 CD1 ILE A 42 -1.090 2.473 -0.754 1.00 0.00 C ATOM 0 H ILE A 42 0.337 0.177 -3.690 1.00 0.00 H new ATOM 0 HA ILE A 42 2.356 2.261 -3.173 1.00 0.00 H new ATOM 0 HB ILE A 42 0.651 0.627 -1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.558 3.616 -1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.256 2.664 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.617 2.067 0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.866 1.101 -0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.675 2.826 -0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.799 3.286 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.577 1.520 -0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.750 2.487 0.282 1.00 0.00 H new ATOM 600 N THR A 43 4.200 0.619 -2.972 1.00 0.00 N ATOM 601 CA THR A 43 5.317 -0.307 -2.832 1.00 0.00 C ATOM 602 C THR A 43 5.599 -0.611 -1.365 1.00 0.00 C ATOM 603 O THR A 43 6.297 0.144 -0.687 1.00 0.00 O ATOM 604 CB THR A 43 6.596 0.252 -3.484 1.00 0.00 C ATOM 605 OG1 THR A 43 6.389 0.438 -4.888 1.00 0.00 O ATOM 606 CG2 THR A 43 7.772 -0.686 -3.259 1.00 0.00 C ATOM 0 H THR A 43 4.460 1.545 -3.313 1.00 0.00 H new ATOM 0 HA THR A 43 5.030 -1.227 -3.342 1.00 0.00 H new ATOM 0 HB THR A 43 6.824 1.212 -3.021 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.206 0.795 -5.295 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.664 -0.270 -3.728 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.945 -0.802 -2.189 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.551 -1.659 -3.698 1.00 0.00 H new ATOM 614 N VAL A 44 5.053 -1.721 -0.880 1.00 0.00 N ATOM 615 CA VAL A 44 5.247 -2.126 0.507 1.00 0.00 C ATOM 616 C VAL A 44 6.695 -2.527 0.765 1.00 0.00 C ATOM 617 O VAL A 44 7.186 -3.509 0.207 1.00 0.00 O ATOM 618 CB VAL A 44 4.326 -3.301 0.884 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.536 -3.701 2.336 1.00 0.00 C ATOM 620 CG2 VAL A 44 2.870 -2.940 0.627 1.00 0.00 C ATOM 0 H VAL A 44 4.472 -2.356 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 44 4.995 -1.265 1.126 1.00 0.00 H new ATOM 0 HB VAL A 44 4.581 -4.155 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.876 -4.533 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.573 -4.004 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.310 -2.854 2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.233 -3.782 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.599 -2.071 1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.734 -2.708 -0.429 1.00 0.00 H new ATOM 630 N ILE A 45 7.373 -1.761 1.613 1.00 0.00 N ATOM 631 CA ILE A 45 8.765 -2.038 1.946 1.00 0.00 C ATOM 632 C ILE A 45 8.882 -2.701 3.314 1.00 0.00 C ATOM 633 O ILE A 45 9.703 -3.597 3.513 1.00 0.00 O ATOM 634 CB ILE A 45 9.613 -0.752 1.937 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.815 0.414 2.524 1.00 0.00 C ATOM 636 CG2 ILE A 45 10.071 -0.429 0.523 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.609 1.697 2.632 1.00 0.00 C ATOM 0 H ILE A 45 6.981 -0.944 2.082 1.00 0.00 H new ATOM 0 HA ILE A 45 9.142 -2.718 1.182 1.00 0.00 H new ATOM 0 HB ILE A 45 10.496 -0.912 2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.937 0.591 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.455 0.135 3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.669 0.482 0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.672 -1.253 0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.201 -0.285 -0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.980 2.480 3.056 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.473 1.537 3.277 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.947 2.000 1.641 1.00 0.00 H new ATOM 649 N SER A 46 8.054 -2.257 4.254 1.00 0.00 N ATOM 650 CA SER A 46 8.065 -2.806 5.604 1.00 0.00 C ATOM 651 C SER A 46 6.644 -2.994 6.127 1.00 0.00 C ATOM 652 O SER A 46 5.948 -2.024 6.430 1.00 0.00 O ATOM 653 CB SER A 46 8.849 -1.889 6.544 1.00 0.00 C ATOM 654 OG SER A 46 9.423 -2.622 7.612 1.00 0.00 O ATOM 0 H SER A 46 7.367 -1.518 4.105 1.00 0.00 H new ATOM 0 HA SER A 46 8.552 -3.781 5.569 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.634 -1.378 5.987 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.187 -1.119 6.942 1.00 0.00 H new ATOM 0 HG SER A 46 9.920 -2.013 8.197 1.00 0.00 H new ATOM 660 N LYS A 47 6.218 -4.248 6.229 1.00 0.00 N ATOM 661 CA LYS A 47 4.881 -4.566 6.715 1.00 0.00 C ATOM 662 C LYS A 47 4.938 -5.623 7.813 1.00 0.00 C ATOM 663 O LYS A 47 5.973 -6.254 8.028 1.00 0.00 O ATOM 664 CB LYS A 47 4.000 -5.057 5.564 1.00 0.00 C ATOM 665 CG LYS A 47 4.362 -6.448 5.073 1.00 0.00 C ATOM 666 CD LYS A 47 3.225 -7.074 4.283 1.00 0.00 C ATOM 667 CE LYS A 47 2.225 -7.764 5.197 1.00 0.00 C ATOM 668 NZ LYS A 47 2.776 -9.022 5.773 1.00 0.00 N ATOM 0 H LYS A 47 6.780 -5.062 5.981 1.00 0.00 H new ATOM 0 HA LYS A 47 4.448 -3.657 7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.959 -5.054 5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.078 -4.356 4.733 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.254 -6.394 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.607 -7.083 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.717 -6.304 3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.628 -7.796 3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.944 -7.088 6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.316 -7.988 4.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.231 -9.834 5.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.772 -9.125 5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.710 -8.987 6.810 1.00 0.00 H new ATOM 682 N THR A 48 3.818 -5.814 8.504 1.00 0.00 N ATOM 683 CA THR A 48 3.741 -6.796 9.578 1.00 0.00 C ATOM 684 C THR A 48 2.795 -7.935 9.216 1.00 0.00 C ATOM 685 O THR A 48 2.121 -7.890 8.186 1.00 0.00 O ATOM 686 CB THR A 48 3.269 -6.151 10.895 1.00 0.00 C ATOM 687 OG1 THR A 48 1.934 -5.654 10.746 1.00 0.00 O ATOM 688 CG2 THR A 48 4.195 -5.015 11.304 1.00 0.00 C ATOM 0 H THR A 48 2.952 -5.301 8.339 1.00 0.00 H new ATOM 0 HA THR A 48 4.747 -7.193 9.716 1.00 0.00 H new ATOM 0 HB THR A 48 3.288 -6.913 11.674 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.641 -5.247 11.588 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.841 -4.575 12.237 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.205 -5.401 11.445 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.203 -4.254 10.524 1.00 0.00 H new ATOM 696 N ASP A 49 2.749 -8.953 10.067 1.00 0.00 N ATOM 697 CA ASP A 49 1.884 -10.104 9.837 1.00 0.00 C ATOM 698 C ASP A 49 0.466 -9.825 10.327 1.00 0.00 C ATOM 699 O ASP A 49 -0.164 -10.676 10.953 1.00 0.00 O ATOM 700 CB ASP A 49 2.445 -11.340 10.541 1.00 0.00 C ATOM 701 CG ASP A 49 2.705 -11.099 12.015 1.00 0.00 C ATOM 702 OD1 ASP A 49 3.385 -10.104 12.342 1.00 0.00 O ATOM 703 OD2 ASP A 49 2.230 -11.907 12.841 1.00 0.00 O ATOM 0 H ASP A 49 3.301 -9.005 10.923 1.00 0.00 H new ATOM 0 HA ASP A 49 1.849 -10.291 8.764 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.744 -12.167 10.429 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.374 -11.641 10.056 1.00 0.00 H new ATOM 708 N SER A 50 -0.028 -8.625 10.038 1.00 0.00 N ATOM 709 CA SER A 50 -1.370 -8.231 10.454 1.00 0.00 C ATOM 710 C SER A 50 -1.937 -7.166 9.520 1.00 0.00 C ATOM 711 O SER A 50 -1.280 -6.167 9.227 1.00 0.00 O ATOM 712 CB SER A 50 -1.348 -7.706 11.890 1.00 0.00 C ATOM 713 OG SER A 50 -1.413 -8.771 12.823 1.00 0.00 O ATOM 0 H SER A 50 0.480 -7.909 9.518 1.00 0.00 H new ATOM 0 HA SER A 50 -2.012 -9.111 10.406 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.439 -7.128 12.056 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.188 -7.030 12.046 1.00 0.00 H new ATOM 0 HG SER A 50 -1.156 -9.608 12.383 1.00 0.00 H new ATOM 719 N HIS A 51 -3.162 -7.388 9.054 1.00 0.00 N ATOM 720 CA HIS A 51 -3.819 -6.448 8.153 1.00 0.00 C ATOM 721 C HIS A 51 -4.237 -5.184 8.898 1.00 0.00 C ATOM 722 O HIS A 51 -3.748 -4.091 8.610 1.00 0.00 O ATOM 723 CB HIS A 51 -5.042 -7.100 7.506 1.00 0.00 C ATOM 724 CG HIS A 51 -4.712 -8.307 6.683 1.00 0.00 C ATOM 725 ND1 HIS A 51 -4.503 -9.556 7.230 1.00 0.00 N ATOM 726 CD2 HIS A 51 -4.556 -8.452 5.347 1.00 0.00 C ATOM 727 CE1 HIS A 51 -4.232 -10.417 6.265 1.00 0.00 C ATOM 728 NE2 HIS A 51 -4.258 -9.772 5.112 1.00 0.00 N ATOM 0 H HIS A 51 -3.719 -8.210 9.285 1.00 0.00 H new ATOM 0 HA HIS A 51 -3.108 -6.172 7.374 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.747 -7.385 8.287 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.544 -6.366 6.875 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.649 -7.674 4.603 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.025 -11.469 6.396 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.085 -10.187 4.196 1.00 0.00 H new ATOM 737 N PHE A 52 -5.144 -5.339 9.856 1.00 0.00 N ATOM 738 CA PHE A 52 -5.629 -4.210 10.641 1.00 0.00 C ATOM 739 C PHE A 52 -4.495 -3.239 10.954 1.00 0.00 C ATOM 740 O PHE A 52 -4.676 -2.022 10.913 1.00 0.00 O ATOM 741 CB PHE A 52 -6.267 -4.702 11.942 1.00 0.00 C ATOM 742 CG PHE A 52 -7.041 -3.640 12.669 1.00 0.00 C ATOM 743 CD1 PHE A 52 -8.238 -3.164 12.159 1.00 0.00 C ATOM 744 CD2 PHE A 52 -6.571 -3.116 13.863 1.00 0.00 C ATOM 745 CE1 PHE A 52 -8.953 -2.186 12.826 1.00 0.00 C ATOM 746 CE2 PHE A 52 -7.281 -2.139 14.534 1.00 0.00 C ATOM 747 CZ PHE A 52 -8.473 -1.673 14.015 1.00 0.00 C ATOM 0 H PHE A 52 -5.559 -6.236 10.108 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.381 -3.686 10.051 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.932 -5.536 11.718 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.486 -5.085 12.599 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.617 -3.562 11.229 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.639 -3.476 14.274 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.885 -1.824 12.418 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.904 -1.740 15.464 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.029 -0.909 14.538 1.00 0.00 H new ATOM 757 N ASP A 53 -3.325 -3.785 11.267 1.00 0.00 N ATOM 758 CA ASP A 53 -2.160 -2.968 11.587 1.00 0.00 C ATOM 759 C ASP A 53 -1.757 -2.106 10.395 1.00 0.00 C ATOM 760 O ASP A 53 -2.191 -2.347 9.268 1.00 0.00 O ATOM 761 CB ASP A 53 -0.988 -3.856 12.010 1.00 0.00 C ATOM 762 CG ASP A 53 -1.166 -4.424 13.404 1.00 0.00 C ATOM 763 OD1 ASP A 53 -2.249 -4.977 13.687 1.00 0.00 O ATOM 764 OD2 ASP A 53 -0.220 -4.316 14.213 1.00 0.00 O ATOM 0 H ASP A 53 -3.158 -4.790 11.306 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.425 -2.310 12.415 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.881 -4.675 11.298 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.065 -3.277 11.972 1.00 0.00 H new ATOM 769 N TRP A 54 -0.927 -1.102 10.652 1.00 0.00 N ATOM 770 CA TRP A 54 -0.467 -0.203 9.599 1.00 0.00 C ATOM 771 C TRP A 54 0.864 -0.675 9.024 1.00 0.00 C ATOM 772 O TRP A 54 1.728 -1.160 9.754 1.00 0.00 O ATOM 773 CB TRP A 54 -0.327 1.221 10.141 1.00 0.00 C ATOM 774 CG TRP A 54 -1.639 1.926 10.304 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.764 1.436 10.903 1.00 0.00 C ATOM 776 CD2 TRP A 54 -1.962 3.249 9.861 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.767 2.374 10.858 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.300 3.495 10.225 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.250 4.250 9.195 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -3.938 4.700 9.943 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -1.885 5.445 8.915 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.218 5.662 9.289 1.00 0.00 C ATOM 0 H TRP A 54 -0.559 -0.890 11.579 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.209 -0.209 8.800 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.181 1.187 11.105 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.306 1.798 9.467 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.852 0.455 11.347 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.707 2.255 11.235 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.222 4.093 8.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.965 4.869 10.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.345 6.225 8.399 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.686 6.607 9.056 1.00 0.00 H new ATOM 793 N TRP A 55 1.022 -0.528 7.714 1.00 0.00 N ATOM 794 CA TRP A 55 2.249 -0.940 7.042 1.00 0.00 C ATOM 795 C TRP A 55 3.000 0.268 6.493 1.00 0.00 C ATOM 796 O TRP A 55 2.519 1.398 6.571 1.00 0.00 O ATOM 797 CB TRP A 55 1.932 -1.917 5.909 1.00 0.00 C ATOM 798 CG TRP A 55 1.340 -3.208 6.386 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.291 -3.661 7.674 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.716 -4.215 5.581 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.674 -4.888 7.718 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.311 -5.249 6.448 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.458 -4.342 4.214 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.336 -6.393 5.989 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.184 -5.478 3.760 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.576 -6.491 4.645 1.00 0.00 C ATOM 0 H TRP A 55 0.317 -0.127 7.096 1.00 0.00 H new ATOM 0 HA TRP A 55 2.885 -1.438 7.774 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.239 -1.443 5.213 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.846 -2.128 5.354 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.680 -3.132 8.532 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.513 -5.440 8.560 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.755 -3.566 3.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.638 -7.176 6.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.387 -5.587 2.705 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.077 -7.366 4.259 1.00 0.00 H new ATOM 817 N GLU A 56 4.183 0.022 5.936 1.00 0.00 N ATOM 818 CA GLU A 56 4.999 1.091 5.375 1.00 0.00 C ATOM 819 C GLU A 56 5.351 0.800 3.919 1.00 0.00 C ATOM 820 O GLU A 56 6.062 -0.158 3.620 1.00 0.00 O ATOM 821 CB GLU A 56 6.279 1.269 6.194 1.00 0.00 C ATOM 822 CG GLU A 56 7.076 2.507 5.817 1.00 0.00 C ATOM 823 CD GLU A 56 8.277 2.724 6.716 1.00 0.00 C ATOM 824 OE1 GLU A 56 8.083 2.859 7.943 1.00 0.00 O ATOM 825 OE2 GLU A 56 9.411 2.759 6.195 1.00 0.00 O ATOM 0 H GLU A 56 4.596 -0.908 5.862 1.00 0.00 H new ATOM 0 HA GLU A 56 4.420 2.014 5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.019 1.322 7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.908 0.389 6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.412 2.418 4.784 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.427 3.381 5.867 1.00 0.00 H new ATOM 832 N GLY A 57 4.845 1.635 3.015 1.00 0.00 N ATOM 833 CA GLY A 57 5.116 1.451 1.602 1.00 0.00 C ATOM 834 C GLY A 57 5.635 2.712 0.941 1.00 0.00 C ATOM 835 O GLY A 57 5.887 3.714 1.611 1.00 0.00 O ATOM 0 H GLY A 57 4.253 2.435 3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.847 0.652 1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.204 1.130 1.099 1.00 0.00 H new ATOM 839 N LYS A 58 5.799 2.664 -0.376 1.00 0.00 N ATOM 840 CA LYS A 58 6.293 3.811 -1.129 1.00 0.00 C ATOM 841 C LYS A 58 5.381 4.119 -2.312 1.00 0.00 C ATOM 842 O LYS A 58 4.999 3.221 -3.065 1.00 0.00 O ATOM 843 CB LYS A 58 7.717 3.548 -1.624 1.00 0.00 C ATOM 844 CG LYS A 58 8.791 3.953 -0.629 1.00 0.00 C ATOM 845 CD LYS A 58 10.050 3.120 -0.799 1.00 0.00 C ATOM 846 CE LYS A 58 10.973 3.712 -1.853 1.00 0.00 C ATOM 847 NZ LYS A 58 12.160 2.848 -2.100 1.00 0.00 N ATOM 0 H LYS A 58 5.597 1.842 -0.945 1.00 0.00 H new ATOM 0 HA LYS A 58 6.300 4.674 -0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.824 2.487 -1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.874 4.090 -2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.031 5.008 -0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.411 3.837 0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.577 3.057 0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.779 2.103 -1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.422 3.847 -2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.304 4.700 -1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.764 3.286 -2.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.700 2.740 -1.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.846 1.913 -2.430 1.00 0.00 H new ATOM 861 N LEU A 59 5.036 5.392 -2.473 1.00 0.00 N ATOM 862 CA LEU A 59 4.170 5.818 -3.566 1.00 0.00 C ATOM 863 C LEU A 59 4.614 7.170 -4.117 1.00 0.00 C ATOM 864 O LEU A 59 5.065 8.038 -3.370 1.00 0.00 O ATOM 865 CB LEU A 59 2.719 5.901 -3.091 1.00 0.00 C ATOM 866 CG LEU A 59 1.783 6.765 -3.937 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.351 6.018 -5.188 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.571 7.193 -3.123 1.00 0.00 C ATOM 0 H LEU A 59 5.343 6.147 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 59 4.243 5.079 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.312 4.891 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.713 6.286 -2.071 1.00 0.00 H new ATOM 0 HG LEU A 59 2.324 7.660 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.685 6.649 -5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.229 5.764 -5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.828 5.105 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.084 7.807 -3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.029 6.310 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.899 7.769 -2.258 1.00 0.00 H new ATOM 880 N ARG A 60 4.482 7.341 -5.428 1.00 0.00 N ATOM 881 CA ARG A 60 4.868 8.587 -6.079 1.00 0.00 C ATOM 882 C ARG A 60 6.209 9.085 -5.548 1.00 0.00 C ATOM 883 O ARG A 60 6.365 10.264 -5.236 1.00 0.00 O ATOM 884 CB ARG A 60 3.794 9.654 -5.864 1.00 0.00 C ATOM 885 CG ARG A 60 2.478 9.342 -6.556 1.00 0.00 C ATOM 886 CD ARG A 60 2.702 8.680 -7.907 1.00 0.00 C ATOM 887 NE ARG A 60 1.547 8.829 -8.789 1.00 0.00 N ATOM 888 CZ ARG A 60 1.177 9.987 -9.324 1.00 0.00 C ATOM 889 NH1 ARG A 60 1.867 11.090 -9.068 1.00 0.00 N ATOM 890 NH2 ARG A 60 0.114 10.043 -10.117 1.00 0.00 N ATOM 0 H ARG A 60 4.111 6.632 -6.061 1.00 0.00 H new ATOM 0 HA ARG A 60 4.969 8.393 -7.147 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.615 9.766 -4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.167 10.612 -6.227 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.879 8.687 -5.923 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.909 10.262 -6.690 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.580 9.116 -8.383 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.912 7.620 -7.761 1.00 0.00 H new ATOM 0 HE ARG A 60 0.995 7.999 -9.006 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.684 11.051 -8.459 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.581 11.978 -9.480 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.419 9.196 -10.316 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.170 10.933 -10.528 1.00 0.00 H new ATOM 904 N GLY A 61 7.174 8.176 -5.447 1.00 0.00 N ATOM 905 CA GLY A 61 8.489 8.542 -4.952 1.00 0.00 C ATOM 906 C GLY A 61 8.446 9.076 -3.534 1.00 0.00 C ATOM 907 O GLY A 61 9.194 9.990 -3.187 1.00 0.00 O ATOM 0 H GLY A 61 7.069 7.193 -5.699 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.143 7.671 -4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.924 9.296 -5.608 1.00 0.00 H new ATOM 911 N GLN A 62 7.569 8.507 -2.714 1.00 0.00 N ATOM 912 CA GLN A 62 7.431 8.934 -1.327 1.00 0.00 C ATOM 913 C GLN A 62 7.395 7.733 -0.388 1.00 0.00 C ATOM 914 O GLN A 62 7.349 6.585 -0.832 1.00 0.00 O ATOM 915 CB GLN A 62 6.163 9.771 -1.153 1.00 0.00 C ATOM 916 CG GLN A 62 6.118 11.001 -2.045 1.00 0.00 C ATOM 917 CD GLN A 62 4.774 11.701 -2.007 1.00 0.00 C ATOM 918 OE1 GLN A 62 4.011 11.553 -1.052 1.00 0.00 O ATOM 919 NE2 GLN A 62 4.477 12.470 -3.048 1.00 0.00 N ATOM 0 H GLN A 62 6.943 7.749 -2.986 1.00 0.00 H new ATOM 0 HA GLN A 62 8.298 9.544 -1.073 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.294 9.147 -1.364 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.085 10.084 -0.112 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.896 11.699 -1.734 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.343 10.709 -3.071 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.139 12.564 -3.818 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.587 12.967 -3.078 1.00 0.00 H new ATOM 928 N THR A 63 7.417 8.004 0.913 1.00 0.00 N ATOM 929 CA THR A 63 7.388 6.946 1.915 1.00 0.00 C ATOM 930 C THR A 63 6.556 7.356 3.124 1.00 0.00 C ATOM 931 O THR A 63 6.570 8.516 3.535 1.00 0.00 O ATOM 932 CB THR A 63 8.809 6.578 2.384 1.00 0.00 C ATOM 933 OG1 THR A 63 9.701 6.542 1.264 1.00 0.00 O ATOM 934 CG2 THR A 63 8.814 5.228 3.086 1.00 0.00 C ATOM 0 H THR A 63 7.455 8.948 1.298 1.00 0.00 H new ATOM 0 HA THR A 63 6.932 6.076 1.443 1.00 0.00 H new ATOM 0 HB THR A 63 9.143 7.339 3.090 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.602 6.309 1.571 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.828 4.989 3.408 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.157 5.267 3.955 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.461 4.459 2.399 1.00 0.00 H new ATOM 942 N GLY A 64 5.832 6.396 3.692 1.00 0.00 N ATOM 943 CA GLY A 64 5.004 6.678 4.850 1.00 0.00 C ATOM 944 C GLY A 64 4.230 5.463 5.319 1.00 0.00 C ATOM 945 O GLY A 64 4.336 4.386 4.730 1.00 0.00 O ATOM 0 H GLY A 64 5.804 5.428 3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.633 7.040 5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.305 7.478 4.607 1.00 0.00 H new ATOM 949 N ILE A 65 3.451 5.633 6.382 1.00 0.00 N ATOM 950 CA ILE A 65 2.657 4.540 6.930 1.00 0.00 C ATOM 951 C ILE A 65 1.199 4.650 6.498 1.00 0.00 C ATOM 952 O ILE A 65 0.701 5.743 6.226 1.00 0.00 O ATOM 953 CB ILE A 65 2.724 4.511 8.468 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.268 5.853 9.046 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.136 4.182 8.931 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.735 5.753 10.458 1.00 0.00 C ATOM 0 H ILE A 65 3.353 6.517 6.881 1.00 0.00 H new ATOM 0 HA ILE A 65 3.081 3.615 6.539 1.00 0.00 H new ATOM 0 HB ILE A 65 2.053 3.733 8.831 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.106 6.549 9.031 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.494 6.272 8.403 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.167 4.165 10.020 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.427 3.205 8.545 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.826 4.940 8.560 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.431 6.741 10.803 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.876 5.082 10.476 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.514 5.364 11.114 1.00 0.00 H new ATOM 968 N PHE A 66 0.517 3.511 6.439 1.00 0.00 N ATOM 969 CA PHE A 66 -0.885 3.478 6.041 1.00 0.00 C ATOM 970 C PHE A 66 -1.538 2.163 6.456 1.00 0.00 C ATOM 971 O PHE A 66 -0.884 1.127 6.576 1.00 0.00 O ATOM 972 CB PHE A 66 -1.013 3.669 4.528 1.00 0.00 C ATOM 973 CG PHE A 66 -0.449 2.528 3.731 1.00 0.00 C ATOM 974 CD1 PHE A 66 -1.222 1.414 3.448 1.00 0.00 C ATOM 975 CD2 PHE A 66 0.855 2.570 3.264 1.00 0.00 C ATOM 976 CE1 PHE A 66 -0.707 0.363 2.714 1.00 0.00 C ATOM 977 CE2 PHE A 66 1.376 1.522 2.529 1.00 0.00 C ATOM 978 CZ PHE A 66 0.595 0.416 2.255 1.00 0.00 C ATOM 0 H PHE A 66 0.913 2.598 6.662 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.399 4.294 6.548 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.065 3.795 4.273 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.504 4.589 4.241 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.240 1.366 3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.471 3.431 3.477 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.321 -0.499 2.499 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.393 1.568 2.169 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.001 -0.405 1.683 1.00 0.00 H new ATOM 988 N PRO A 67 -2.860 2.204 6.682 1.00 0.00 N ATOM 989 CA PRO A 67 -3.631 1.025 7.087 1.00 0.00 C ATOM 990 C PRO A 67 -3.755 0.001 5.964 1.00 0.00 C ATOM 991 O PRO A 67 -4.267 0.305 4.887 1.00 0.00 O ATOM 992 CB PRO A 67 -5.004 1.603 7.438 1.00 0.00 C ATOM 993 CG PRO A 67 -5.101 2.859 6.642 1.00 0.00 C ATOM 994 CD PRO A 67 -3.703 3.405 6.558 1.00 0.00 C ATOM 0 HA PRO A 67 -3.156 0.489 7.909 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.804 0.908 7.181 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.088 1.804 8.506 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.503 2.661 5.648 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.771 3.573 7.120 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.530 3.922 5.614 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.503 4.121 7.355 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.284 -1.215 6.224 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.346 -2.285 5.236 1.00 0.00 C ATOM 1004 C ALA A 68 -4.778 -2.519 4.769 1.00 0.00 C ATOM 1005 O ALA A 68 -5.010 -2.934 3.634 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.759 -3.567 5.810 1.00 0.00 C ATOM 0 H ALA A 68 -2.856 -1.483 7.110 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.755 -1.983 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.812 -4.358 5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.718 -3.398 6.087 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.326 -3.864 6.692 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.735 -2.251 5.651 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.145 -2.434 5.329 1.00 0.00 C ATOM 1014 C ASN A 69 -7.556 -1.545 4.159 1.00 0.00 C ATOM 1015 O ASN A 69 -8.639 -1.703 3.596 1.00 0.00 O ATOM 1016 CB ASN A 69 -8.014 -2.123 6.550 1.00 0.00 C ATOM 1017 CG ASN A 69 -9.432 -2.639 6.397 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -10.379 -1.860 6.287 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -9.584 -3.958 6.389 1.00 0.00 N ATOM 0 H ASN A 69 -5.559 -1.906 6.595 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.294 -3.475 5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.562 -2.568 7.437 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.038 -1.045 6.711 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.515 -4.364 6.289 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.770 -4.566 6.483 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.683 -0.611 3.799 1.00 0.00 N ATOM 1027 CA TYR A 70 -6.955 0.305 2.697 1.00 0.00 C ATOM 1028 C TYR A 70 -6.296 -0.180 1.410 1.00 0.00 C ATOM 1029 O TYR A 70 -6.303 0.516 0.394 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.457 1.710 3.040 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.467 2.543 3.797 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -7.870 2.188 5.078 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -8.017 3.686 3.230 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -8.793 2.945 5.772 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.940 4.451 3.918 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.325 4.076 5.188 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.244 4.834 5.877 1.00 0.00 O ATOM 0 H TYR A 70 -5.781 -0.468 4.254 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.033 0.336 2.542 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.547 1.629 3.635 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.190 2.227 2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.454 1.304 5.539 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.718 3.982 2.235 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.097 2.653 6.767 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.357 5.337 3.464 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.519 5.596 5.326 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.727 -1.381 1.460 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.065 -1.962 0.299 1.00 0.00 C ATOM 1049 C VAL A 71 -5.399 -3.443 0.160 1.00 0.00 C ATOM 1050 O VAL A 71 -6.110 -4.011 0.989 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.536 -1.798 0.384 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.165 -0.335 0.572 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -2.971 -2.648 1.512 1.00 0.00 C ATOM 0 H VAL A 71 -5.712 -1.970 2.293 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.432 -1.426 -0.576 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.099 -2.141 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.081 -0.239 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.536 0.246 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.612 0.038 1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.890 -2.520 1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.413 -2.337 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.205 -3.697 1.329 1.00 0.00 H new ATOM 1063 N THR A 72 -4.880 -4.065 -0.895 1.00 0.00 N ATOM 1064 CA THR A 72 -5.124 -5.480 -1.144 1.00 0.00 C ATOM 1065 C THR A 72 -3.952 -6.118 -1.880 1.00 0.00 C ATOM 1066 O THR A 72 -3.299 -5.476 -2.703 1.00 0.00 O ATOM 1067 CB THR A 72 -6.409 -5.692 -1.966 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.870 -7.040 -1.815 1.00 0.00 O ATOM 1069 CG2 THR A 72 -6.165 -5.397 -3.438 1.00 0.00 C ATOM 0 H THR A 72 -4.288 -3.610 -1.590 1.00 0.00 H new ATOM 0 HA THR A 72 -5.241 -5.957 -0.171 1.00 0.00 H new ATOM 0 HB THR A 72 -7.169 -5.004 -1.595 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.688 -7.167 -2.339 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.087 -5.554 -3.998 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.842 -4.362 -3.553 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.391 -6.063 -3.819 1.00 0.00 H new