USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=12 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= -0.492 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.193 USER MOD Single : A 35 ASN :FLIP amide:sc= 0.0351 F(o=-0.68,f=0.035) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.76) 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+ -113:sc= 0.00994 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00066 USER MOD Single : A 50 SER OG : rot 18:sc= 0.122 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.00015) 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=-1.1) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0577 USER MOD Single : A 69 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.46) 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 10.344 -5.808 -2.237 1.00 0.00 N ATOM 211 CA PRO A 17 9.099 -5.306 -1.647 1.00 0.00 C ATOM 212 C PRO A 17 7.864 -5.950 -2.266 1.00 0.00 C ATOM 213 O PRO A 17 7.973 -6.811 -3.140 1.00 0.00 O ATOM 214 CB PRO A 17 9.136 -3.808 -1.962 1.00 0.00 C ATOM 215 CG PRO A 17 9.995 -3.697 -3.174 1.00 0.00 C ATOM 216 CD PRO A 17 11.022 -4.789 -3.056 1.00 0.00 C ATOM 0 HA PRO A 17 9.033 -5.530 -0.582 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.135 -3.418 -2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.550 -3.239 -1.130 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.404 -3.813 -4.083 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.471 -2.718 -3.226 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.305 -5.182 -4.033 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.935 -4.432 -2.579 1.00 0.00 H new ATOM 224 N ILE A 18 6.690 -5.528 -1.809 1.00 0.00 N ATOM 225 CA ILE A 18 5.434 -6.063 -2.320 1.00 0.00 C ATOM 226 C ILE A 18 4.599 -4.971 -2.978 1.00 0.00 C ATOM 227 O ILE A 18 4.719 -3.795 -2.638 1.00 0.00 O ATOM 228 CB ILE A 18 4.606 -6.723 -1.201 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.529 -7.405 -0.189 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.623 -7.724 -1.789 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.834 -7.791 1.098 1.00 0.00 C ATOM 0 H ILE A 18 6.582 -4.817 -1.086 1.00 0.00 H new ATOM 0 HA ILE A 18 5.692 -6.818 -3.063 1.00 0.00 H new ATOM 0 HB ILE A 18 4.039 -5.949 -0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.956 -8.299 -0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.359 -6.737 0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.046 -8.182 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.948 -7.211 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.170 -8.497 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.548 -8.269 1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.430 -6.898 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.022 -8.484 0.879 1.00 0.00 H new ATOM 243 N GLU A 19 3.751 -5.370 -3.922 1.00 0.00 N ATOM 244 CA GLU A 19 2.894 -4.424 -4.627 1.00 0.00 C ATOM 245 C GLU A 19 1.435 -4.602 -4.219 1.00 0.00 C ATOM 246 O GLU A 19 0.871 -5.689 -4.347 1.00 0.00 O ATOM 247 CB GLU A 19 3.037 -4.602 -6.140 1.00 0.00 C ATOM 248 CG GLU A 19 4.156 -3.773 -6.748 1.00 0.00 C ATOM 249 CD GLU A 19 4.347 -4.046 -8.227 1.00 0.00 C ATOM 250 OE1 GLU A 19 4.291 -5.229 -8.624 1.00 0.00 O ATOM 251 OE2 GLU A 19 4.554 -3.078 -8.988 1.00 0.00 O ATOM 0 H GLU A 19 3.640 -6.341 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 19 3.209 -3.416 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.217 -5.655 -6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.096 -4.333 -6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.939 -2.715 -6.603 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.086 -3.983 -6.221 1.00 0.00 H new ATOM 258 N VAL A 20 0.829 -3.527 -3.725 1.00 0.00 N ATOM 259 CA VAL A 20 -0.565 -3.563 -3.298 1.00 0.00 C ATOM 260 C VAL A 20 -1.364 -2.432 -3.936 1.00 0.00 C ATOM 261 O VAL A 20 -0.838 -1.347 -4.183 1.00 0.00 O ATOM 262 CB VAL A 20 -0.685 -3.462 -1.766 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.119 -4.708 -1.102 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.017 -2.211 -1.258 1.00 0.00 C ATOM 0 H VAL A 20 1.282 -2.620 -3.611 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.972 -4.520 -3.624 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.741 -3.389 -1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.213 -4.618 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.671 -5.584 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.933 -4.816 -1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.078 -2.156 -0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.072 -2.251 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.440 -1.329 -1.708 1.00 0.00 H new ATOM 274 N THR A 21 -2.641 -2.693 -4.200 1.00 0.00 N ATOM 275 CA THR A 21 -3.514 -1.698 -4.809 1.00 0.00 C ATOM 276 C THR A 21 -4.457 -1.089 -3.777 1.00 0.00 C ATOM 277 O THR A 21 -5.289 -1.784 -3.196 1.00 0.00 O ATOM 278 CB THR A 21 -4.348 -2.307 -5.952 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.489 -2.982 -6.878 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.138 -1.230 -6.679 1.00 0.00 C ATOM 0 H THR A 21 -3.093 -3.586 -4.001 1.00 0.00 H new ATOM 0 HA THR A 21 -2.870 -0.918 -5.214 1.00 0.00 H new ATOM 0 HB THR A 21 -5.050 -3.021 -5.520 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.026 -3.368 -7.601 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.719 -1.684 -7.482 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.811 -0.737 -5.978 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.451 -0.496 -7.099 1.00 0.00 H new ATOM 288 N ALA A 22 -4.320 0.215 -3.556 1.00 0.00 N ATOM 289 CA ALA A 22 -5.162 0.918 -2.596 1.00 0.00 C ATOM 290 C ALA A 22 -6.640 0.728 -2.919 1.00 0.00 C ATOM 291 O ALA A 22 -7.133 1.224 -3.933 1.00 0.00 O ATOM 292 CB ALA A 22 -4.811 2.399 -2.572 1.00 0.00 C ATOM 0 H ALA A 22 -3.635 0.805 -4.028 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.976 0.495 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.447 2.912 -1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.766 2.521 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.968 2.826 -3.563 1.00 0.00 H new ATOM 298 N LEU A 23 -7.342 0.007 -2.052 1.00 0.00 N ATOM 299 CA LEU A 23 -8.765 -0.250 -2.245 1.00 0.00 C ATOM 300 C LEU A 23 -9.581 1.023 -2.042 1.00 0.00 C ATOM 301 O LEU A 23 -10.633 1.203 -2.656 1.00 0.00 O ATOM 302 CB LEU A 23 -9.244 -1.335 -1.280 1.00 0.00 C ATOM 303 CG LEU A 23 -8.439 -2.635 -1.278 1.00 0.00 C ATOM 304 CD1 LEU A 23 -8.902 -3.549 -0.154 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.558 -3.338 -2.623 1.00 0.00 C ATOM 0 H LEU A 23 -6.949 -0.410 -1.208 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.910 -0.594 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.236 -0.924 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.281 -1.573 -1.519 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.390 -2.390 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.317 -4.469 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.764 -3.047 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.957 -3.787 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.979 -4.261 -2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.604 -3.570 -2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.176 -2.687 -3.409 1.00 0.00 H new ATOM 317 N TYR A 24 -9.087 1.904 -1.179 1.00 0.00 N ATOM 318 CA TYR A 24 -9.770 3.161 -0.895 1.00 0.00 C ATOM 319 C TYR A 24 -8.767 4.295 -0.707 1.00 0.00 C ATOM 320 O TYR A 24 -7.599 4.061 -0.399 1.00 0.00 O ATOM 321 CB TYR A 24 -10.639 3.022 0.356 1.00 0.00 C ATOM 322 CG TYR A 24 -11.482 1.766 0.371 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.675 1.698 -0.338 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.085 0.648 1.094 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.448 0.553 -0.327 1.00 0.00 C ATOM 326 CE2 TYR A 24 -11.852 -0.501 1.110 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.032 -0.544 0.398 1.00 0.00 C ATOM 328 OH TYR A 24 -13.799 -1.686 0.413 1.00 0.00 O ATOM 0 H TYR A 24 -8.217 1.771 -0.664 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.406 3.400 -1.747 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.997 3.029 1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.294 3.890 0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.004 2.555 -0.907 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.161 0.678 1.653 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.373 0.517 -0.883 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.529 -1.361 1.677 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.364 -2.365 0.970 1.00 0.00 H new ATOM 338 N SER A 25 -9.234 5.526 -0.895 1.00 0.00 N ATOM 339 CA SER A 25 -8.379 6.698 -0.749 1.00 0.00 C ATOM 340 C SER A 25 -8.063 6.962 0.720 1.00 0.00 C ATOM 341 O SER A 25 -8.823 6.577 1.609 1.00 0.00 O ATOM 342 CB SER A 25 -9.051 7.926 -1.367 1.00 0.00 C ATOM 343 OG SER A 25 -9.537 7.641 -2.667 1.00 0.00 O ATOM 0 H SER A 25 -10.199 5.737 -1.149 1.00 0.00 H new ATOM 0 HA SER A 25 -7.444 6.502 -1.273 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.874 8.253 -0.731 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.338 8.749 -1.414 1.00 0.00 H new ATOM 0 HG SER A 25 -9.963 8.441 -3.039 1.00 0.00 H new ATOM 349 N PHE A 26 -6.936 7.621 0.968 1.00 0.00 N ATOM 350 CA PHE A 26 -6.518 7.936 2.329 1.00 0.00 C ATOM 351 C PHE A 26 -5.716 9.233 2.365 1.00 0.00 C ATOM 352 O PHE A 26 -5.015 9.568 1.410 1.00 0.00 O ATOM 353 CB PHE A 26 -5.684 6.791 2.907 1.00 0.00 C ATOM 354 CG PHE A 26 -5.065 7.112 4.237 1.00 0.00 C ATOM 355 CD1 PHE A 26 -5.819 7.060 5.398 1.00 0.00 C ATOM 356 CD2 PHE A 26 -3.728 7.467 4.326 1.00 0.00 C ATOM 357 CE1 PHE A 26 -5.252 7.355 6.623 1.00 0.00 C ATOM 358 CE2 PHE A 26 -3.156 7.762 5.549 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.919 7.707 6.699 1.00 0.00 C ATOM 0 H PHE A 26 -6.296 7.947 0.244 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.414 8.066 2.936 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.316 5.909 3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.895 6.534 2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.862 6.786 5.345 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.127 7.514 3.430 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.851 7.310 7.521 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.113 8.035 5.606 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.474 7.939 7.655 1.00 0.00 H new ATOM 369 N GLU A 27 -5.825 9.959 3.473 1.00 0.00 N ATOM 370 CA GLU A 27 -5.111 11.220 3.633 1.00 0.00 C ATOM 371 C GLU A 27 -4.345 11.248 4.952 1.00 0.00 C ATOM 372 O GLU A 27 -4.926 11.459 6.016 1.00 0.00 O ATOM 373 CB GLU A 27 -6.087 12.396 3.572 1.00 0.00 C ATOM 374 CG GLU A 27 -6.503 12.770 2.159 1.00 0.00 C ATOM 375 CD GLU A 27 -7.726 12.007 1.690 1.00 0.00 C ATOM 376 OE1 GLU A 27 -8.615 11.739 2.526 1.00 0.00 O ATOM 377 OE2 GLU A 27 -7.796 11.679 0.487 1.00 0.00 O ATOM 0 H GLU A 27 -6.401 9.696 4.273 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.396 11.309 2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.977 12.149 4.150 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.628 13.263 4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.708 13.840 2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.675 12.576 1.477 1.00 0.00 H new ATOM 384 N GLY A 28 -3.035 11.033 4.874 1.00 0.00 N ATOM 385 CA GLY A 28 -2.210 11.037 6.068 1.00 0.00 C ATOM 386 C GLY A 28 -2.315 12.337 6.841 1.00 0.00 C ATOM 387 O GLY A 28 -1.833 13.375 6.389 1.00 0.00 O ATOM 0 H GLY A 28 -2.531 10.856 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.506 10.210 6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.170 10.867 5.788 1.00 0.00 H new ATOM 439 N GLY A 32 4.347 12.114 8.701 1.00 0.00 N ATOM 440 CA GLY A 32 5.031 10.836 8.634 1.00 0.00 C ATOM 441 C GLY A 32 4.216 9.779 7.915 1.00 0.00 C ATOM 442 O GLY A 32 4.740 8.731 7.538 1.00 0.00 O ATOM 0 HA2 GLY A 32 5.985 10.964 8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.254 10.493 9.644 1.00 0.00 H new ATOM 446 N ASP A 33 2.930 10.054 7.725 1.00 0.00 N ATOM 447 CA ASP A 33 2.040 9.118 7.048 1.00 0.00 C ATOM 448 C ASP A 33 2.227 9.189 5.535 1.00 0.00 C ATOM 449 O ASP A 33 3.104 9.899 5.040 1.00 0.00 O ATOM 450 CB ASP A 33 0.584 9.414 7.408 1.00 0.00 C ATOM 451 CG ASP A 33 0.330 9.340 8.901 1.00 0.00 C ATOM 452 OD1 ASP A 33 1.150 8.722 9.612 1.00 0.00 O ATOM 453 OD2 ASP A 33 -0.688 9.900 9.358 1.00 0.00 O ATOM 0 H ASP A 33 2.481 10.917 8.030 1.00 0.00 H new ATOM 0 HA ASP A 33 2.291 8.111 7.381 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.318 10.407 7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.065 8.704 6.896 1.00 0.00 H new ATOM 458 N LEU A 34 1.399 8.449 4.806 1.00 0.00 N ATOM 459 CA LEU A 34 1.474 8.427 3.350 1.00 0.00 C ATOM 460 C LEU A 34 0.161 8.895 2.730 1.00 0.00 C ATOM 461 O LEU A 34 -0.903 8.764 3.333 1.00 0.00 O ATOM 462 CB LEU A 34 1.809 7.018 2.858 1.00 0.00 C ATOM 463 CG LEU A 34 1.912 6.842 1.343 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.117 7.594 0.798 1.00 0.00 C ATOM 465 CD2 LEU A 34 1.993 5.366 0.981 1.00 0.00 C ATOM 0 H LEU A 34 0.668 7.856 5.200 1.00 0.00 H new ATOM 0 HA LEU A 34 2.265 9.111 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.756 6.715 3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.047 6.334 3.232 1.00 0.00 H new ATOM 0 HG LEU A 34 1.014 7.258 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.174 7.457 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.016 8.656 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.026 7.209 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.066 5.260 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.873 4.924 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.098 4.855 1.336 1.00 0.00 H new ATOM 477 N ASN A 35 0.245 9.440 1.521 1.00 0.00 N ATOM 478 CA ASN A 35 -0.937 9.926 0.818 1.00 0.00 C ATOM 479 C ASN A 35 -1.151 9.159 -0.483 1.00 0.00 C ATOM 480 O ASN A 35 -0.313 9.198 -1.384 1.00 0.00 O ATOM 481 CB ASN A 35 -0.803 11.422 0.525 1.00 0.00 C ATOM 482 CG ASN A 35 -0.406 12.218 1.753 1.00 0.00 C ATOM 483 OD1 ASN A 35 -1.319 12.320 2.712 1.00 0.00 O flip ATOM 484 ND2 ASN A 35 0.707 12.735 1.838 1.00 0.00 N flip ATOM 0 H ASN A 35 1.119 9.556 1.008 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.803 9.764 1.461 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.059 11.571 -0.257 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.750 11.800 0.141 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.377 12.631 1.076 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.960 13.268 2.670 1.00 0.00 H new ATOM 491 N PHE A 36 -2.279 8.462 -0.575 1.00 0.00 N ATOM 492 CA PHE A 36 -2.603 7.685 -1.765 1.00 0.00 C ATOM 493 C PHE A 36 -4.090 7.784 -2.092 1.00 0.00 C ATOM 494 O PHE A 36 -4.858 8.398 -1.351 1.00 0.00 O ATOM 495 CB PHE A 36 -2.210 6.219 -1.566 1.00 0.00 C ATOM 496 CG PHE A 36 -2.896 5.568 -0.400 1.00 0.00 C ATOM 497 CD1 PHE A 36 -2.396 5.714 0.885 1.00 0.00 C ATOM 498 CD2 PHE A 36 -4.041 4.810 -0.587 1.00 0.00 C ATOM 499 CE1 PHE A 36 -3.025 5.115 1.959 1.00 0.00 C ATOM 500 CE2 PHE A 36 -4.674 4.209 0.485 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.166 4.363 1.760 1.00 0.00 C ATOM 0 H PHE A 36 -2.984 8.420 0.161 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.037 8.096 -2.601 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.445 5.662 -2.473 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.131 6.156 -1.424 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.505 6.302 1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.443 4.687 -1.582 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.624 5.235 2.955 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.565 3.620 0.326 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.660 3.896 2.599 1.00 0.00 H new ATOM 511 N GLN A 37 -4.487 7.178 -3.206 1.00 0.00 N ATOM 512 CA GLN A 37 -5.882 7.200 -3.631 1.00 0.00 C ATOM 513 C GLN A 37 -6.311 5.835 -4.159 1.00 0.00 C ATOM 514 O GLN A 37 -5.491 5.068 -4.664 1.00 0.00 O ATOM 515 CB GLN A 37 -6.092 8.266 -4.707 1.00 0.00 C ATOM 516 CG GLN A 37 -5.883 9.686 -4.206 1.00 0.00 C ATOM 517 CD GLN A 37 -6.108 10.725 -5.287 1.00 0.00 C ATOM 518 OE1 GLN A 37 -6.812 10.476 -6.266 1.00 0.00 O ATOM 519 NE2 GLN A 37 -5.511 11.898 -5.114 1.00 0.00 N ATOM 0 H GLN A 37 -3.863 6.666 -3.830 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.497 7.443 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.406 8.076 -5.533 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.103 8.175 -5.104 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.563 9.878 -3.376 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.869 9.785 -3.818 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.936 12.061 -4.287 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.627 12.637 -5.808 1.00 0.00 H new ATOM 528 N ALA A 38 -7.601 5.538 -4.040 1.00 0.00 N ATOM 529 CA ALA A 38 -8.139 4.267 -4.507 1.00 0.00 C ATOM 530 C ALA A 38 -7.602 3.919 -5.892 1.00 0.00 C ATOM 531 O ALA A 38 -8.020 4.498 -6.894 1.00 0.00 O ATOM 532 CB ALA A 38 -9.660 4.312 -4.525 1.00 0.00 C ATOM 0 H ALA A 38 -8.293 6.161 -3.624 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.818 3.489 -3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.048 3.356 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.030 4.506 -3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.993 5.106 -5.194 1.00 0.00 H new ATOM 538 N GLY A 39 -6.673 2.970 -5.940 1.00 0.00 N ATOM 539 CA GLY A 39 -6.094 2.562 -7.206 1.00 0.00 C ATOM 540 C GLY A 39 -4.585 2.705 -7.227 1.00 0.00 C ATOM 541 O GLY A 39 -3.885 1.888 -7.826 1.00 0.00 O ATOM 0 H GLY A 39 -6.311 2.476 -5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.360 1.524 -7.406 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.524 3.162 -8.008 1.00 0.00 H new ATOM 545 N ASP A 40 -4.082 3.745 -6.571 1.00 0.00 N ATOM 546 CA ASP A 40 -2.646 3.993 -6.517 1.00 0.00 C ATOM 547 C ASP A 40 -1.912 2.805 -5.904 1.00 0.00 C ATOM 548 O ASP A 40 -2.257 2.344 -4.815 1.00 0.00 O ATOM 549 CB ASP A 40 -2.356 5.260 -5.710 1.00 0.00 C ATOM 550 CG ASP A 40 -2.379 6.510 -6.566 1.00 0.00 C ATOM 551 OD1 ASP A 40 -3.191 6.565 -7.513 1.00 0.00 O ATOM 552 OD2 ASP A 40 -1.585 7.434 -6.290 1.00 0.00 O ATOM 0 H ASP A 40 -4.647 4.430 -6.069 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.287 4.131 -7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.093 5.356 -4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.380 5.168 -5.233 1.00 0.00 H new ATOM 557 N ARG A 41 -0.900 2.312 -6.610 1.00 0.00 N ATOM 558 CA ARG A 41 -0.119 1.176 -6.136 1.00 0.00 C ATOM 559 C ARG A 41 0.941 1.624 -5.135 1.00 0.00 C ATOM 560 O ARG A 41 1.707 2.552 -5.401 1.00 0.00 O ATOM 561 CB ARG A 41 0.546 0.460 -7.313 1.00 0.00 C ATOM 562 CG ARG A 41 -0.388 -0.476 -8.063 1.00 0.00 C ATOM 563 CD ARG A 41 -0.381 -1.871 -7.458 1.00 0.00 C ATOM 564 NE ARG A 41 0.642 -2.723 -8.058 1.00 0.00 N ATOM 565 CZ ARG A 41 0.472 -3.385 -9.197 1.00 0.00 C ATOM 566 NH1 ARG A 41 -0.675 -3.295 -9.856 1.00 0.00 N ATOM 567 NH2 ARG A 41 1.451 -4.140 -9.680 1.00 0.00 N ATOM 0 H ARG A 41 -0.602 2.682 -7.513 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.797 0.485 -5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.935 1.205 -8.007 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.399 -0.110 -6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.401 -0.074 -8.043 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.088 -0.530 -9.109 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.209 -1.799 -6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.360 -2.330 -7.594 1.00 0.00 H new ATOM 0 HE ARG A 41 1.536 -2.815 -7.576 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.430 -2.716 -9.489 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.802 -3.805 -10.730 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.335 -4.212 -9.176 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.319 -4.648 -10.555 1.00 0.00 H new ATOM 581 N ILE A 42 0.980 0.961 -3.985 1.00 0.00 N ATOM 582 CA ILE A 42 1.947 1.291 -2.945 1.00 0.00 C ATOM 583 C ILE A 42 2.982 0.183 -2.785 1.00 0.00 C ATOM 584 O ILE A 42 2.636 -0.989 -2.634 1.00 0.00 O ATOM 585 CB ILE A 42 1.256 1.532 -1.590 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.191 2.622 -1.722 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.281 1.911 -0.532 1.00 0.00 C ATOM 588 CD1 ILE A 42 -0.969 2.454 -0.765 1.00 0.00 C ATOM 0 H ILE A 42 0.353 0.192 -3.749 1.00 0.00 H new ATOM 0 HA ILE A 42 2.446 2.208 -3.258 1.00 0.00 H new ATOM 0 HB ILE A 42 0.767 0.609 -1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.654 3.594 -1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.189 2.625 -2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.777 2.078 0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.006 1.104 -0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.796 2.823 -0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.685 3.262 -0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.458 1.497 -0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.601 2.481 0.261 1.00 0.00 H new ATOM 600 N THR A 43 4.256 0.562 -2.817 1.00 0.00 N ATOM 601 CA THR A 43 5.343 -0.399 -2.675 1.00 0.00 C ATOM 602 C THR A 43 5.604 -0.720 -1.208 1.00 0.00 C ATOM 603 O THR A 43 6.235 0.059 -0.494 1.00 0.00 O ATOM 604 CB THR A 43 6.643 0.125 -3.314 1.00 0.00 C ATOM 605 OG1 THR A 43 6.452 0.327 -4.719 1.00 0.00 O ATOM 606 CG2 THR A 43 7.788 -0.850 -3.087 1.00 0.00 C ATOM 0 H THR A 43 4.560 1.528 -2.940 1.00 0.00 H new ATOM 0 HA THR A 43 5.033 -1.307 -3.193 1.00 0.00 H new ATOM 0 HB THR A 43 6.897 1.075 -2.843 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.283 0.662 -5.117 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.696 -0.459 -3.547 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.950 -0.978 -2.017 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.540 -1.813 -3.534 1.00 0.00 H new ATOM 614 N VAL A 44 5.117 -1.874 -0.764 1.00 0.00 N ATOM 615 CA VAL A 44 5.299 -2.300 0.618 1.00 0.00 C ATOM 616 C VAL A 44 6.764 -2.607 0.910 1.00 0.00 C ATOM 617 O VAL A 44 7.296 -3.624 0.462 1.00 0.00 O ATOM 618 CB VAL A 44 4.452 -3.545 0.939 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.655 -3.973 2.384 1.00 0.00 C ATOM 620 CG2 VAL A 44 2.981 -3.276 0.656 1.00 0.00 C ATOM 0 H VAL A 44 4.593 -2.531 -1.342 1.00 0.00 H new ATOM 0 HA VAL A 44 4.970 -1.474 1.249 1.00 0.00 H new ATOM 0 HB VAL A 44 4.780 -4.361 0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.048 -4.854 2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.706 -4.209 2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.357 -3.162 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.397 -4.167 0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.638 -2.446 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.853 -3.023 -0.396 1.00 0.00 H new ATOM 630 N ILE A 45 7.410 -1.723 1.662 1.00 0.00 N ATOM 631 CA ILE A 45 8.813 -1.900 2.014 1.00 0.00 C ATOM 632 C ILE A 45 8.957 -2.575 3.374 1.00 0.00 C ATOM 633 O ILE A 45 9.842 -3.407 3.575 1.00 0.00 O ATOM 634 CB ILE A 45 9.562 -0.555 2.040 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.690 0.526 2.684 1.00 0.00 C ATOM 636 CG2 ILE A 45 9.967 -0.147 0.632 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.424 1.826 2.930 1.00 0.00 C ATOM 0 H ILE A 45 6.984 -0.877 2.039 1.00 0.00 H new ATOM 0 HA ILE A 45 9.253 -2.536 1.246 1.00 0.00 H new ATOM 0 HB ILE A 45 10.466 -0.670 2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.831 0.719 2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.302 0.152 3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.495 0.806 0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.620 -0.909 0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.076 -0.045 0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.746 2.546 3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.267 1.647 3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.789 2.223 1.983 1.00 0.00 H new ATOM 649 N SER A 46 8.080 -2.213 4.305 1.00 0.00 N ATOM 650 CA SER A 46 8.110 -2.782 5.647 1.00 0.00 C ATOM 651 C SER A 46 6.697 -2.977 6.186 1.00 0.00 C ATOM 652 O SER A 46 6.028 -2.017 6.570 1.00 0.00 O ATOM 653 CB SER A 46 8.908 -1.878 6.589 1.00 0.00 C ATOM 654 OG SER A 46 9.476 -2.625 7.651 1.00 0.00 O ATOM 0 H SER A 46 7.340 -1.528 4.154 1.00 0.00 H new ATOM 0 HA SER A 46 8.596 -3.756 5.591 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.697 -1.373 6.032 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.257 -1.103 6.993 1.00 0.00 H new ATOM 0 HG SER A 46 9.982 -2.026 8.238 1.00 0.00 H new ATOM 660 N LYS A 47 6.247 -4.227 6.213 1.00 0.00 N ATOM 661 CA LYS A 47 4.914 -4.551 6.706 1.00 0.00 C ATOM 662 C LYS A 47 4.970 -5.692 7.717 1.00 0.00 C ATOM 663 O LYS A 47 6.006 -6.336 7.886 1.00 0.00 O ATOM 664 CB LYS A 47 3.996 -4.931 5.542 1.00 0.00 C ATOM 665 CG LYS A 47 4.354 -6.257 4.893 1.00 0.00 C ATOM 666 CD LYS A 47 3.214 -6.787 4.040 1.00 0.00 C ATOM 667 CE LYS A 47 2.255 -7.639 4.858 1.00 0.00 C ATOM 668 NZ LYS A 47 1.516 -8.613 4.009 1.00 0.00 N ATOM 0 H LYS A 47 6.787 -5.033 5.899 1.00 0.00 H new ATOM 0 HA LYS A 47 4.513 -3.668 7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.968 -4.978 5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.035 -4.145 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.244 -6.132 4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.601 -6.986 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.672 -5.952 3.596 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.618 -7.379 3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.811 -8.176 5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.544 -6.993 5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.507 -8.361 3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.897 -8.589 3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.627 -9.570 4.401 1.00 0.00 H new ATOM 682 N THR A 48 3.849 -5.938 8.387 1.00 0.00 N ATOM 683 CA THR A 48 3.771 -7.001 9.381 1.00 0.00 C ATOM 684 C THR A 48 2.839 -8.117 8.921 1.00 0.00 C ATOM 685 O THR A 48 2.208 -8.017 7.868 1.00 0.00 O ATOM 686 CB THR A 48 3.279 -6.466 10.739 1.00 0.00 C ATOM 687 OG1 THR A 48 1.931 -5.996 10.622 1.00 0.00 O ATOM 688 CG2 THR A 48 4.173 -5.339 11.232 1.00 0.00 C ATOM 0 H THR A 48 2.982 -5.415 8.259 1.00 0.00 H new ATOM 0 HA THR A 48 4.779 -7.398 9.498 1.00 0.00 H new ATOM 0 HB THR A 48 3.317 -7.282 11.461 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.626 -5.659 11.490 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.806 -4.977 12.192 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.192 -5.707 11.348 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.162 -4.523 10.509 1.00 0.00 H new ATOM 696 N ASP A 49 2.758 -9.179 9.715 1.00 0.00 N ATOM 697 CA ASP A 49 1.902 -10.314 9.389 1.00 0.00 C ATOM 698 C ASP A 49 0.501 -10.120 9.961 1.00 0.00 C ATOM 699 O ASP A 49 -0.079 -11.041 10.534 1.00 0.00 O ATOM 700 CB ASP A 49 2.511 -11.610 9.926 1.00 0.00 C ATOM 701 CG ASP A 49 3.452 -12.263 8.933 1.00 0.00 C ATOM 702 OD1 ASP A 49 2.988 -12.642 7.838 1.00 0.00 O ATOM 703 OD2 ASP A 49 4.653 -12.395 9.252 1.00 0.00 O ATOM 0 H ASP A 49 3.275 -9.278 10.589 1.00 0.00 H new ATOM 0 HA ASP A 49 1.826 -10.380 8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.051 -11.399 10.849 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.711 -12.307 10.177 1.00 0.00 H new ATOM 708 N SER A 50 -0.035 -8.914 9.802 1.00 0.00 N ATOM 709 CA SER A 50 -1.366 -8.597 10.307 1.00 0.00 C ATOM 710 C SER A 50 -2.071 -7.600 9.392 1.00 0.00 C ATOM 711 O SER A 50 -1.497 -6.583 9.003 1.00 0.00 O ATOM 712 CB SER A 50 -1.275 -8.029 11.724 1.00 0.00 C ATOM 713 OG SER A 50 -1.166 -9.066 12.684 1.00 0.00 O ATOM 0 H SER A 50 0.432 -8.141 9.328 1.00 0.00 H new ATOM 0 HA SER A 50 -1.948 -9.518 10.329 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.412 -7.368 11.799 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.158 -7.426 11.935 1.00 0.00 H new ATOM 0 HG SER A 50 -0.883 -9.893 12.241 1.00 0.00 H new ATOM 719 N HIS A 51 -3.321 -7.901 9.051 1.00 0.00 N ATOM 720 CA HIS A 51 -4.106 -7.032 8.182 1.00 0.00 C ATOM 721 C HIS A 51 -4.690 -5.862 8.968 1.00 0.00 C ATOM 722 O HIS A 51 -4.934 -4.789 8.415 1.00 0.00 O ATOM 723 CB HIS A 51 -5.230 -7.825 7.514 1.00 0.00 C ATOM 724 CG HIS A 51 -4.740 -8.942 6.645 1.00 0.00 C ATOM 725 ND1 HIS A 51 -4.865 -10.272 6.987 1.00 0.00 N ATOM 726 CD2 HIS A 51 -4.123 -8.922 5.440 1.00 0.00 C ATOM 727 CE1 HIS A 51 -4.344 -11.021 6.031 1.00 0.00 C ATOM 728 NE2 HIS A 51 -3.887 -10.226 5.081 1.00 0.00 N ATOM 0 H HIS A 51 -3.811 -8.739 9.363 1.00 0.00 H new ATOM 0 HA HIS A 51 -3.444 -6.635 7.412 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.882 -8.235 8.285 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.835 -7.146 6.913 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.864 -8.043 4.868 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.300 -12.100 6.027 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.433 -10.531 4.220 1.00 0.00 H new ATOM 737 N PHE A 52 -4.914 -6.077 10.260 1.00 0.00 N ATOM 738 CA PHE A 52 -5.472 -5.041 11.122 1.00 0.00 C ATOM 739 C PHE A 52 -4.364 -4.191 11.738 1.00 0.00 C ATOM 740 O PHE A 52 -4.366 -3.926 12.940 1.00 0.00 O ATOM 741 CB PHE A 52 -6.322 -5.670 12.227 1.00 0.00 C ATOM 742 CG PHE A 52 -7.405 -4.765 12.740 1.00 0.00 C ATOM 743 CD1 PHE A 52 -7.151 -3.874 13.771 1.00 0.00 C ATOM 744 CD2 PHE A 52 -8.676 -4.803 12.190 1.00 0.00 C ATOM 745 CE1 PHE A 52 -8.146 -3.040 14.244 1.00 0.00 C ATOM 746 CE2 PHE A 52 -9.675 -3.971 12.660 1.00 0.00 C ATOM 747 CZ PHE A 52 -9.410 -3.088 13.688 1.00 0.00 C ATOM 0 H PHE A 52 -4.718 -6.959 10.733 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.103 -4.396 10.511 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.775 -6.587 11.849 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.674 -5.953 13.056 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.165 -3.831 14.209 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.889 -5.491 11.385 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.936 -2.351 15.048 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.662 -4.012 12.223 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.189 -2.437 14.056 1.00 0.00 H new ATOM 757 N ASP A 53 -3.419 -3.769 10.905 1.00 0.00 N ATOM 758 CA ASP A 53 -2.305 -2.949 11.367 1.00 0.00 C ATOM 759 C ASP A 53 -1.818 -2.020 10.259 1.00 0.00 C ATOM 760 O ASP A 53 -2.155 -2.204 9.089 1.00 0.00 O ATOM 761 CB ASP A 53 -1.155 -3.836 11.847 1.00 0.00 C ATOM 762 CG ASP A 53 -1.518 -4.633 13.085 1.00 0.00 C ATOM 763 OD1 ASP A 53 -2.407 -5.505 12.990 1.00 0.00 O ATOM 764 OD2 ASP A 53 -0.912 -4.385 14.148 1.00 0.00 O ATOM 0 H ASP A 53 -3.402 -3.981 9.907 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.656 -2.340 12.200 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.870 -4.521 11.048 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.285 -3.215 12.060 1.00 0.00 H new ATOM 769 N TRP A 54 -1.025 -1.023 10.635 1.00 0.00 N ATOM 770 CA TRP A 54 -0.493 -0.065 9.673 1.00 0.00 C ATOM 771 C TRP A 54 0.863 -0.519 9.145 1.00 0.00 C ATOM 772 O TRP A 54 1.736 -0.920 9.916 1.00 0.00 O ATOM 773 CB TRP A 54 -0.368 1.318 10.315 1.00 0.00 C ATOM 774 CG TRP A 54 -1.688 1.992 10.537 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.775 1.473 11.182 1.00 0.00 C ATOM 776 CD2 TRP A 54 -2.061 3.307 10.113 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.800 2.387 11.184 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.387 3.521 10.535 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.402 4.326 9.419 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -4.065 4.711 10.285 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -2.077 5.507 9.171 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.397 5.692 9.604 1.00 0.00 C ATOM 0 H TRP A 54 -0.736 -0.857 11.599 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.187 -0.007 8.834 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.148 1.222 11.270 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.252 1.951 9.680 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.821 0.489 11.625 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.720 2.245 11.601 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.384 4.193 9.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.083 4.855 10.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.578 6.301 8.634 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.897 6.627 9.396 1.00 0.00 H new ATOM 793 N TRP A 55 1.034 -0.454 7.830 1.00 0.00 N ATOM 794 CA TRP A 55 2.286 -0.859 7.201 1.00 0.00 C ATOM 795 C TRP A 55 3.030 0.349 6.643 1.00 0.00 C ATOM 796 O TRP A 55 2.515 1.466 6.656 1.00 0.00 O ATOM 797 CB TRP A 55 2.016 -1.868 6.084 1.00 0.00 C ATOM 798 CG TRP A 55 1.386 -3.139 6.570 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.418 -3.635 7.842 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.632 -4.074 5.792 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.730 -4.822 7.901 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.238 -5.114 6.657 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.251 -4.135 4.449 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.518 -6.199 6.220 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.499 -5.212 4.017 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.877 -6.232 4.901 1.00 0.00 C ATOM 0 H TRP A 55 0.322 -0.125 7.178 1.00 0.00 H new ATOM 0 HA TRP A 55 2.911 -1.328 7.961 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.365 -1.410 5.340 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.955 -2.105 5.583 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.912 -3.163 8.679 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.606 -5.394 8.736 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.538 -3.354 3.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.810 -6.986 6.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.799 -5.269 2.981 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.464 -7.061 4.533 1.00 0.00 H new ATOM 817 N GLU A 56 4.244 0.116 6.153 1.00 0.00 N ATOM 818 CA GLU A 56 5.058 1.187 5.591 1.00 0.00 C ATOM 819 C GLU A 56 5.395 0.905 4.129 1.00 0.00 C ATOM 820 O GLU A 56 6.141 -0.023 3.821 1.00 0.00 O ATOM 821 CB GLU A 56 6.346 1.356 6.399 1.00 0.00 C ATOM 822 CG GLU A 56 7.182 2.551 5.969 1.00 0.00 C ATOM 823 CD GLU A 56 8.453 2.696 6.782 1.00 0.00 C ATOM 824 OE1 GLU A 56 9.042 1.659 7.154 1.00 0.00 O ATOM 825 OE2 GLU A 56 8.860 3.847 7.047 1.00 0.00 O ATOM 0 H GLU A 56 4.685 -0.804 6.134 1.00 0.00 H new ATOM 0 HA GLU A 56 4.482 2.111 5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.092 1.461 7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.946 0.451 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.439 2.449 4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.587 3.459 6.066 1.00 0.00 H new ATOM 832 N GLY A 57 4.837 1.713 3.232 1.00 0.00 N ATOM 833 CA GLY A 57 5.089 1.534 1.814 1.00 0.00 C ATOM 834 C GLY A 57 5.625 2.790 1.158 1.00 0.00 C ATOM 835 O GLY A 57 5.872 3.794 1.827 1.00 0.00 O ATOM 0 H GLY A 57 4.215 2.488 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.803 0.722 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.165 1.235 1.319 1.00 0.00 H new ATOM 839 N LYS A 58 5.809 2.737 -0.157 1.00 0.00 N ATOM 840 CA LYS A 58 6.320 3.878 -0.906 1.00 0.00 C ATOM 841 C LYS A 58 5.442 4.171 -2.119 1.00 0.00 C ATOM 842 O LYS A 58 5.070 3.262 -2.862 1.00 0.00 O ATOM 843 CB LYS A 58 7.759 3.616 -1.356 1.00 0.00 C ATOM 844 CG LYS A 58 8.802 4.035 -0.334 1.00 0.00 C ATOM 845 CD LYS A 58 10.087 3.239 -0.491 1.00 0.00 C ATOM 846 CE LYS A 58 10.962 3.805 -1.597 1.00 0.00 C ATOM 847 NZ LYS A 58 12.265 3.090 -1.696 1.00 0.00 N ATOM 0 H LYS A 58 5.611 1.914 -0.726 1.00 0.00 H new ATOM 0 HA LYS A 58 6.304 4.748 -0.249 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.877 2.553 -1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.942 4.149 -2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.015 5.098 -0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.405 3.893 0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.638 3.246 0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.847 2.199 -0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.436 3.733 -2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.142 4.864 -1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.832 3.506 -2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.779 3.179 -0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.095 2.084 -1.899 1.00 0.00 H new ATOM 861 N LEU A 59 5.116 5.443 -2.314 1.00 0.00 N ATOM 862 CA LEU A 59 4.282 5.856 -3.438 1.00 0.00 C ATOM 863 C LEU A 59 4.739 7.203 -3.989 1.00 0.00 C ATOM 864 O LEU A 59 5.186 8.072 -3.240 1.00 0.00 O ATOM 865 CB LEU A 59 2.816 5.938 -3.009 1.00 0.00 C ATOM 866 CG LEU A 59 1.900 6.771 -3.906 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.570 6.014 -5.182 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.627 7.149 -3.163 1.00 0.00 C ATOM 0 H LEU A 59 5.416 6.207 -1.709 1.00 0.00 H new ATOM 0 HA LEU A 59 4.382 5.109 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.416 4.925 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.776 6.349 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 59 2.424 7.687 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.917 6.623 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.490 5.795 -5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.065 5.081 -4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.013 7.742 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.099 6.244 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.882 7.732 -2.278 1.00 0.00 H new ATOM 880 N ARG A 60 4.622 7.370 -5.302 1.00 0.00 N ATOM 881 CA ARG A 60 5.022 8.611 -5.953 1.00 0.00 C ATOM 882 C ARG A 60 6.334 9.131 -5.373 1.00 0.00 C ATOM 883 O ARG A 60 6.470 10.320 -5.086 1.00 0.00 O ATOM 884 CB ARG A 60 3.928 9.669 -5.797 1.00 0.00 C ATOM 885 CG ARG A 60 2.739 9.457 -6.719 1.00 0.00 C ATOM 886 CD ARG A 60 1.479 10.099 -6.161 1.00 0.00 C ATOM 887 NE ARG A 60 0.396 10.123 -7.141 1.00 0.00 N ATOM 888 CZ ARG A 60 -0.803 10.640 -6.898 1.00 0.00 C ATOM 889 NH1 ARG A 60 -1.072 11.174 -5.715 1.00 0.00 N ATOM 890 NH2 ARG A 60 -1.737 10.624 -7.841 1.00 0.00 N ATOM 0 H ARG A 60 4.253 6.661 -5.936 1.00 0.00 H new ATOM 0 HA ARG A 60 5.170 8.405 -7.013 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.580 9.670 -4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.356 10.653 -5.990 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.959 9.878 -7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.573 8.389 -6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.155 9.552 -5.276 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.702 11.117 -5.842 1.00 0.00 H new ATOM 0 HE ARG A 60 0.570 9.721 -8.062 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.357 11.189 -4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.994 11.570 -5.532 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.534 10.214 -8.753 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.658 11.021 -7.654 1.00 0.00 H new ATOM 904 N GLY A 61 7.298 8.231 -5.203 1.00 0.00 N ATOM 905 CA GLY A 61 8.586 8.618 -4.657 1.00 0.00 C ATOM 906 C GLY A 61 8.479 9.156 -3.244 1.00 0.00 C ATOM 907 O GLY A 61 9.189 10.091 -2.874 1.00 0.00 O ATOM 0 H GLY A 61 7.210 7.241 -5.434 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.254 7.757 -4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.036 9.376 -5.298 1.00 0.00 H new ATOM 911 N GLN A 62 7.589 8.564 -2.453 1.00 0.00 N ATOM 912 CA GLN A 62 7.391 8.992 -1.074 1.00 0.00 C ATOM 913 C GLN A 62 7.377 7.795 -0.129 1.00 0.00 C ATOM 914 O GLN A 62 7.443 6.645 -0.565 1.00 0.00 O ATOM 915 CB GLN A 62 6.084 9.775 -0.943 1.00 0.00 C ATOM 916 CG GLN A 62 6.017 11.002 -1.838 1.00 0.00 C ATOM 917 CD GLN A 62 4.655 11.667 -1.816 1.00 0.00 C ATOM 918 OE1 GLN A 62 3.725 11.183 -1.172 1.00 0.00 O ATOM 919 NE2 GLN A 62 4.531 12.785 -2.523 1.00 0.00 N ATOM 0 H GLN A 62 6.995 7.788 -2.744 1.00 0.00 H new ATOM 0 HA GLN A 62 8.223 9.640 -0.799 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.250 9.115 -1.182 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.958 10.085 0.094 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.773 11.720 -1.520 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.260 10.715 -2.861 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.329 13.151 -3.042 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.638 13.277 -2.546 1.00 0.00 H new ATOM 928 N THR A 63 7.291 8.071 1.168 1.00 0.00 N ATOM 929 CA THR A 63 7.270 7.017 2.175 1.00 0.00 C ATOM 930 C THR A 63 6.418 7.419 3.374 1.00 0.00 C ATOM 931 O THR A 63 6.441 8.571 3.805 1.00 0.00 O ATOM 932 CB THR A 63 8.691 6.676 2.660 1.00 0.00 C ATOM 933 OG1 THR A 63 9.596 6.651 1.550 1.00 0.00 O ATOM 934 CG2 THR A 63 8.712 5.329 3.368 1.00 0.00 C ATOM 0 H THR A 63 7.235 9.017 1.546 1.00 0.00 H new ATOM 0 HA THR A 63 6.834 6.137 1.703 1.00 0.00 H new ATOM 0 HB THR A 63 9.004 7.445 3.366 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.498 6.435 1.868 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.726 5.109 3.702 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.045 5.360 4.230 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.380 4.551 2.680 1.00 0.00 H new ATOM 942 N GLY A 64 5.668 6.461 3.909 1.00 0.00 N ATOM 943 CA GLY A 64 4.820 6.735 5.054 1.00 0.00 C ATOM 944 C GLY A 64 4.065 5.507 5.524 1.00 0.00 C ATOM 945 O GLY A 64 4.163 4.440 4.917 1.00 0.00 O ATOM 0 H GLY A 64 5.632 5.500 3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.431 7.117 5.872 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.108 7.519 4.795 1.00 0.00 H new ATOM 949 N ILE A 65 3.311 5.657 6.607 1.00 0.00 N ATOM 950 CA ILE A 65 2.537 4.551 7.158 1.00 0.00 C ATOM 951 C ILE A 65 1.075 4.638 6.733 1.00 0.00 C ATOM 952 O ILE A 65 0.536 5.729 6.542 1.00 0.00 O ATOM 953 CB ILE A 65 2.612 4.522 8.696 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.210 5.881 9.273 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.013 4.141 9.150 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.704 5.806 10.697 1.00 0.00 C ATOM 0 H ILE A 65 3.219 6.533 7.121 1.00 0.00 H new ATOM 0 HA ILE A 65 2.974 3.633 6.764 1.00 0.00 H new ATOM 0 HB ILE A 65 1.914 3.771 9.066 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.069 6.551 9.236 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.436 6.320 8.643 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.051 4.125 10.239 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.265 3.153 8.763 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.729 4.872 8.773 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.437 6.805 11.041 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.826 5.162 10.738 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.484 5.397 11.339 1.00 0.00 H new ATOM 968 N PHE A 66 0.437 3.481 6.587 1.00 0.00 N ATOM 969 CA PHE A 66 -0.964 3.426 6.186 1.00 0.00 C ATOM 970 C PHE A 66 -1.588 2.089 6.573 1.00 0.00 C ATOM 971 O PHE A 66 -0.912 1.064 6.671 1.00 0.00 O ATOM 972 CB PHE A 66 -1.093 3.644 4.677 1.00 0.00 C ATOM 973 CG PHE A 66 -0.508 2.529 3.858 1.00 0.00 C ATOM 974 CD1 PHE A 66 0.823 2.557 3.474 1.00 0.00 C ATOM 975 CD2 PHE A 66 -1.290 1.451 3.473 1.00 0.00 C ATOM 976 CE1 PHE A 66 1.362 1.532 2.719 1.00 0.00 C ATOM 977 CE2 PHE A 66 -0.756 0.423 2.719 1.00 0.00 C ATOM 978 CZ PHE A 66 0.573 0.464 2.342 1.00 0.00 C ATOM 0 H PHE A 66 0.868 2.569 6.740 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.497 4.221 6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.147 3.756 4.423 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.599 4.578 4.409 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.446 3.389 3.768 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.329 1.414 3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.400 1.567 2.424 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.376 -0.411 2.425 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.993 -0.338 1.754 1.00 0.00 H new ATOM 988 N PRO A 67 -2.910 2.097 6.799 1.00 0.00 N ATOM 989 CA PRO A 67 -3.656 0.893 7.179 1.00 0.00 C ATOM 990 C PRO A 67 -3.758 -0.110 6.036 1.00 0.00 C ATOM 991 O PRO A 67 -4.255 0.212 4.957 1.00 0.00 O ATOM 992 CB PRO A 67 -5.041 1.434 7.542 1.00 0.00 C ATOM 993 CG PRO A 67 -5.165 2.704 6.772 1.00 0.00 C ATOM 994 CD PRO A 67 -3.779 3.282 6.700 1.00 0.00 C ATOM 0 HA PRO A 67 -3.170 0.351 7.990 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.826 0.728 7.270 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.129 1.611 8.614 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.563 2.518 5.774 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.850 3.394 7.265 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.617 3.822 5.767 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.594 3.985 7.512 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.286 -1.328 6.280 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.327 -2.380 5.271 1.00 0.00 C ATOM 1004 C ALA A 68 -4.758 -2.649 4.817 1.00 0.00 C ATOM 1005 O ALA A 68 -4.987 -3.119 3.703 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.694 -3.654 5.810 1.00 0.00 C ATOM 0 H ALA A 68 -2.871 -1.611 7.168 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.756 -2.042 4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.732 -4.430 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.656 -3.459 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.240 -3.987 6.693 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.717 -2.349 5.687 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.125 -2.561 5.375 1.00 0.00 C ATOM 1014 C ASN A 69 -7.565 -1.671 4.216 1.00 0.00 C ATOM 1015 O ASN A 69 -8.652 -1.846 3.664 1.00 0.00 O ATOM 1016 CB ASN A 69 -7.990 -2.278 6.606 1.00 0.00 C ATOM 1017 CG ASN A 69 -9.462 -2.157 6.263 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -10.089 -3.119 5.821 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -10.020 -0.969 6.466 1.00 0.00 N ATOM 0 H ASN A 69 -5.544 -1.958 6.613 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.253 -3.602 5.080 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.854 -3.078 7.334 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.653 -1.356 7.079 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.007 -0.826 6.254 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.461 -0.199 6.834 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.714 -0.718 3.853 1.00 0.00 N ATOM 1027 CA TYR A 70 -7.015 0.200 2.761 1.00 0.00 C ATOM 1028 C TYR A 70 -6.369 -0.269 1.462 1.00 0.00 C ATOM 1029 O TYR A 70 -6.475 0.392 0.428 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.532 1.610 3.105 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.480 2.374 4.001 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -7.903 1.842 5.213 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -7.953 3.629 3.636 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -8.770 2.536 6.034 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.819 4.331 4.452 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.225 3.780 5.650 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.088 4.475 6.466 1.00 0.00 O ATOM 0 H TYR A 70 -5.810 -0.561 4.299 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.096 0.218 2.622 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.560 1.543 3.593 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.387 2.171 2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.548 0.869 5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.638 4.063 2.698 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.090 2.107 6.972 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.176 5.306 4.154 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.311 5.334 6.050 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.699 -1.416 1.521 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.037 -1.976 0.350 1.00 0.00 C ATOM 1049 C VAL A 71 -5.345 -3.461 0.202 1.00 0.00 C ATOM 1050 O VAL A 71 -6.078 -4.038 1.006 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.510 -1.784 0.423 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.165 -0.317 0.624 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -2.920 -2.637 1.536 1.00 0.00 C ATOM 0 H VAL A 71 -5.601 -1.975 2.368 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.422 -1.440 -0.518 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.074 -2.108 -0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.082 -0.201 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.555 0.266 -0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.610 0.037 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.841 -2.490 1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.360 -2.346 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.136 -3.688 1.343 1.00 0.00 H new ATOM 1063 N THR A 72 -4.780 -4.077 -0.832 1.00 0.00 N ATOM 1064 CA THR A 72 -4.995 -5.496 -1.087 1.00 0.00 C ATOM 1065 C THR A 72 -3.796 -6.115 -1.797 1.00 0.00 C ATOM 1066 O THR A 72 -3.070 -5.432 -2.518 1.00 0.00 O ATOM 1067 CB THR A 72 -6.258 -5.730 -1.938 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.611 -7.117 -1.920 1.00 0.00 O ATOM 1069 CG2 THR A 72 -6.035 -5.276 -3.373 1.00 0.00 C ATOM 0 H THR A 72 -4.170 -3.615 -1.506 1.00 0.00 H new ATOM 0 HA THR A 72 -5.126 -5.974 -0.116 1.00 0.00 H new ATOM 0 HB THR A 72 -7.071 -5.144 -1.510 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.416 -7.257 -2.462 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.940 -5.451 -3.955 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.796 -4.213 -3.385 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.209 -5.839 -3.808 1.00 0.00 H new