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 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= -0.0651 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= -0.0201 USER MOD Single : A 35 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.33) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,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+ -114:sc= 0.52 (180deg=-0.118) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -2.81 K(o=-2.8,f=-3.8!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 69 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.13) 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 10.238 -5.877 -2.093 1.00 0.00 N ATOM 211 CA PRO A 17 8.991 -5.331 -1.548 1.00 0.00 C ATOM 212 C PRO A 17 7.757 -5.999 -2.143 1.00 0.00 C ATOM 213 O PRO A 17 7.867 -6.944 -2.925 1.00 0.00 O ATOM 214 CB PRO A 17 9.046 -3.855 -1.950 1.00 0.00 C ATOM 215 CG PRO A 17 9.919 -3.822 -3.156 1.00 0.00 C ATOM 216 CD PRO A 17 10.935 -4.914 -2.962 1.00 0.00 C ATOM 0 HA PRO A 17 8.911 -5.492 -0.473 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.051 -3.468 -2.171 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.456 -3.241 -1.148 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.338 -3.987 -4.063 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.404 -2.852 -3.260 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.226 -5.366 -3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.846 -4.538 -2.496 1.00 0.00 H new ATOM 224 N ILE A 18 6.583 -5.503 -1.768 1.00 0.00 N ATOM 225 CA ILE A 18 5.328 -6.052 -2.267 1.00 0.00 C ATOM 226 C ILE A 18 4.463 -4.965 -2.895 1.00 0.00 C ATOM 227 O ILE A 18 4.459 -3.822 -2.439 1.00 0.00 O ATOM 228 CB ILE A 18 4.530 -6.743 -1.145 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.449 -7.642 -0.315 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.381 -7.549 -1.731 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.712 -8.490 0.697 1.00 0.00 C ATOM 0 H ILE A 18 6.474 -4.722 -1.121 1.00 0.00 H new ATOM 0 HA ILE A 18 5.587 -6.790 -3.026 1.00 0.00 H new ATOM 0 HB ILE A 18 4.114 -5.977 -0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.008 -8.295 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.178 -7.021 0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.827 -8.031 -0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.715 -6.885 -2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.776 -8.309 -2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.426 -9.101 1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.175 -7.844 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.002 -9.137 0.182 1.00 0.00 H new ATOM 243 N GLU A 19 3.730 -5.330 -3.942 1.00 0.00 N ATOM 244 CA GLU A 19 2.859 -4.385 -4.631 1.00 0.00 C ATOM 245 C GLU A 19 1.401 -4.599 -4.235 1.00 0.00 C ATOM 246 O GLU A 19 0.877 -5.708 -4.331 1.00 0.00 O ATOM 247 CB GLU A 19 3.014 -4.527 -6.147 1.00 0.00 C ATOM 248 CG GLU A 19 4.120 -3.664 -6.730 1.00 0.00 C ATOM 249 CD GLU A 19 4.238 -3.805 -8.235 1.00 0.00 C ATOM 250 OE1 GLU A 19 4.162 -4.949 -8.731 1.00 0.00 O ATOM 251 OE2 GLU A 19 4.407 -2.773 -8.917 1.00 0.00 O ATOM 0 H GLU A 19 3.722 -6.273 -4.331 1.00 0.00 H new ATOM 0 HA GLU A 19 3.153 -3.378 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.215 -5.571 -6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.070 -4.266 -6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.931 -2.620 -6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.069 -3.935 -6.268 1.00 0.00 H new ATOM 258 N VAL A 20 0.752 -3.528 -3.790 1.00 0.00 N ATOM 259 CA VAL A 20 -0.645 -3.597 -3.379 1.00 0.00 C ATOM 260 C VAL A 20 -1.441 -2.424 -3.940 1.00 0.00 C ATOM 261 O VAL A 20 -0.915 -1.322 -4.101 1.00 0.00 O ATOM 262 CB VAL A 20 -0.780 -3.608 -1.845 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.138 -4.857 -1.262 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.162 -2.353 -1.247 1.00 0.00 C ATOM 0 H VAL A 20 1.171 -2.602 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.046 -4.529 -3.778 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.840 -3.620 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.243 -4.848 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.630 -5.742 -1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.920 -4.878 -1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.266 -2.377 -0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.895 -2.308 -1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.671 -1.473 -1.641 1.00 0.00 H new ATOM 274 N THR A 21 -2.715 -2.667 -4.236 1.00 0.00 N ATOM 275 CA THR A 21 -3.584 -1.631 -4.779 1.00 0.00 C ATOM 276 C THR A 21 -4.493 -1.055 -3.699 1.00 0.00 C ATOM 277 O THR A 21 -5.224 -1.787 -3.034 1.00 0.00 O ATOM 278 CB THR A 21 -4.453 -2.174 -5.930 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.629 -2.839 -6.894 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.223 -1.048 -6.603 1.00 0.00 C ATOM 0 H THR A 21 -3.167 -3.572 -4.108 1.00 0.00 H new ATOM 0 HA THR A 21 -2.936 -0.843 -5.163 1.00 0.00 H new ATOM 0 HB THR A 21 -5.168 -2.883 -5.514 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.189 -3.183 -7.621 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.829 -1.455 -7.412 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.871 -0.563 -5.873 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.521 -0.318 -7.007 1.00 0.00 H new ATOM 288 N ALA A 22 -4.443 0.263 -3.532 1.00 0.00 N ATOM 289 CA ALA A 22 -5.265 0.938 -2.534 1.00 0.00 C ATOM 290 C ALA A 22 -6.745 0.846 -2.889 1.00 0.00 C ATOM 291 O ALA A 22 -7.207 1.479 -3.839 1.00 0.00 O ATOM 292 CB ALA A 22 -4.842 2.393 -2.399 1.00 0.00 C ATOM 0 H ALA A 22 -3.843 0.884 -4.074 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.116 0.437 -1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.464 2.885 -1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.797 2.441 -2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.961 2.897 -3.358 1.00 0.00 H new ATOM 298 N LEU A 23 -7.484 0.053 -2.121 1.00 0.00 N ATOM 299 CA LEU A 23 -8.914 -0.122 -2.354 1.00 0.00 C ATOM 300 C LEU A 23 -9.669 1.181 -2.113 1.00 0.00 C ATOM 301 O LEU A 23 -10.688 1.447 -2.751 1.00 0.00 O ATOM 302 CB LEU A 23 -9.468 -1.221 -1.446 1.00 0.00 C ATOM 303 CG LEU A 23 -8.689 -2.537 -1.434 1.00 0.00 C ATOM 304 CD1 LEU A 23 -9.213 -3.457 -0.343 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.771 -3.218 -2.793 1.00 0.00 C ATOM 0 H LEU A 23 -7.117 -0.479 -1.332 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.054 -0.414 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.509 -0.837 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.494 -1.432 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.643 -2.316 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.647 -4.388 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.102 -2.972 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.266 -3.671 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.211 -4.153 -2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.814 -3.426 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.347 -2.563 -3.554 1.00 0.00 H new ATOM 317 N TYR A 24 -9.161 1.991 -1.190 1.00 0.00 N ATOM 318 CA TYR A 24 -9.788 3.266 -0.865 1.00 0.00 C ATOM 319 C TYR A 24 -8.740 4.365 -0.711 1.00 0.00 C ATOM 320 O TYR A 24 -7.560 4.087 -0.502 1.00 0.00 O ATOM 321 CB TYR A 24 -10.606 3.143 0.422 1.00 0.00 C ATOM 322 CG TYR A 24 -11.490 1.917 0.462 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.758 1.931 -0.105 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.057 0.744 1.068 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.569 0.814 -0.070 1.00 0.00 C ATOM 326 CE2 TYR A 24 -11.860 -0.379 1.107 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.116 -0.339 0.537 1.00 0.00 C ATOM 328 OH TYR A 24 -13.920 -1.455 0.575 1.00 0.00 O ATOM 0 H TYR A 24 -8.317 1.787 -0.654 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.453 3.535 -1.686 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.926 3.119 1.274 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.227 4.032 0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.116 2.832 -0.582 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.075 0.710 1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.552 0.843 -0.515 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.507 -1.283 1.581 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.451 -2.181 1.037 1.00 0.00 H new ATOM 338 N SER A 25 -9.182 5.614 -0.816 1.00 0.00 N ATOM 339 CA SER A 25 -8.283 6.755 -0.692 1.00 0.00 C ATOM 340 C SER A 25 -7.877 6.971 0.762 1.00 0.00 C ATOM 341 O SER A 25 -8.492 6.425 1.678 1.00 0.00 O ATOM 342 CB SER A 25 -8.951 8.018 -1.240 1.00 0.00 C ATOM 343 OG SER A 25 -8.021 9.083 -1.344 1.00 0.00 O ATOM 0 H SER A 25 -10.157 5.861 -0.987 1.00 0.00 H new ATOM 0 HA SER A 25 -7.386 6.545 -1.274 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.381 7.810 -2.220 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.773 8.311 -0.587 1.00 0.00 H new ATOM 0 HG SER A 25 -8.472 9.878 -1.698 1.00 0.00 H new ATOM 349 N PHE A 26 -6.836 7.772 0.966 1.00 0.00 N ATOM 350 CA PHE A 26 -6.345 8.060 2.308 1.00 0.00 C ATOM 351 C PHE A 26 -5.424 9.277 2.301 1.00 0.00 C ATOM 352 O PHE A 26 -4.554 9.404 1.440 1.00 0.00 O ATOM 353 CB PHE A 26 -5.602 6.848 2.874 1.00 0.00 C ATOM 354 CG PHE A 26 -4.890 7.130 4.167 1.00 0.00 C ATOM 355 CD1 PHE A 26 -5.544 6.982 5.379 1.00 0.00 C ATOM 356 CD2 PHE A 26 -3.568 7.544 4.168 1.00 0.00 C ATOM 357 CE1 PHE A 26 -4.892 7.241 6.570 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.911 7.804 5.356 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.574 7.653 6.559 1.00 0.00 C ATOM 0 H PHE A 26 -6.317 8.233 0.219 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.204 8.280 2.942 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.313 6.036 3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.877 6.500 2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.575 6.661 5.394 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.045 7.665 3.231 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.413 7.121 7.508 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.880 8.125 5.344 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.063 7.857 7.488 1.00 0.00 H new ATOM 369 N GLU A 27 -5.624 10.169 3.266 1.00 0.00 N ATOM 370 CA GLU A 27 -4.812 11.376 3.370 1.00 0.00 C ATOM 371 C GLU A 27 -4.133 11.460 4.734 1.00 0.00 C ATOM 372 O GLU A 27 -4.746 11.864 5.721 1.00 0.00 O ATOM 373 CB GLU A 27 -5.675 12.618 3.140 1.00 0.00 C ATOM 374 CG GLU A 27 -5.819 12.998 1.676 1.00 0.00 C ATOM 375 CD GLU A 27 -6.828 14.108 1.457 1.00 0.00 C ATOM 376 OE1 GLU A 27 -8.028 13.880 1.719 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.418 15.205 1.024 1.00 0.00 O ATOM 0 H GLU A 27 -6.341 10.079 3.986 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.040 11.331 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.666 12.444 3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.241 13.457 3.683 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.850 13.312 1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.121 12.120 1.105 1.00 0.00 H new ATOM 384 N GLY A 28 -2.862 11.073 4.781 1.00 0.00 N ATOM 385 CA GLY A 28 -2.120 11.111 6.028 1.00 0.00 C ATOM 386 C GLY A 28 -2.149 12.480 6.677 1.00 0.00 C ATOM 387 O GLY A 28 -1.534 13.423 6.179 1.00 0.00 O ATOM 0 H GLY A 28 -2.333 10.734 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.536 10.376 6.717 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.086 10.823 5.841 1.00 0.00 H new ATOM 439 N GLY A 32 4.159 11.961 8.905 1.00 0.00 N ATOM 440 CA GLY A 32 4.823 10.671 8.885 1.00 0.00 C ATOM 441 C GLY A 32 4.002 9.607 8.184 1.00 0.00 C ATOM 442 O GLY A 32 4.449 8.470 8.030 1.00 0.00 O ATOM 0 HA2 GLY A 32 5.787 10.770 8.385 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.025 10.354 9.908 1.00 0.00 H new ATOM 446 N ASP A 33 2.798 9.975 7.759 1.00 0.00 N ATOM 447 CA ASP A 33 1.913 9.043 7.070 1.00 0.00 C ATOM 448 C ASP A 33 2.111 9.121 5.559 1.00 0.00 C ATOM 449 O ASP A 33 2.969 9.859 5.072 1.00 0.00 O ATOM 450 CB ASP A 33 0.454 9.339 7.422 1.00 0.00 C ATOM 451 CG ASP A 33 0.019 8.659 8.705 1.00 0.00 C ATOM 452 OD1 ASP A 33 0.814 8.645 9.668 1.00 0.00 O ATOM 453 OD2 ASP A 33 -1.117 8.141 8.747 1.00 0.00 O ATOM 0 H ASP A 33 2.413 10.912 7.880 1.00 0.00 H new ATOM 0 HA ASP A 33 2.161 8.034 7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.318 10.416 7.521 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.188 9.011 6.604 1.00 0.00 H new ATOM 458 N LEU A 34 1.313 8.356 4.823 1.00 0.00 N ATOM 459 CA LEU A 34 1.401 8.337 3.367 1.00 0.00 C ATOM 460 C LEU A 34 0.075 8.751 2.736 1.00 0.00 C ATOM 461 O LEU A 34 -0.995 8.450 3.263 1.00 0.00 O ATOM 462 CB LEU A 34 1.798 6.943 2.878 1.00 0.00 C ATOM 463 CG LEU A 34 1.911 6.769 1.363 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.236 7.319 0.860 1.00 0.00 C ATOM 465 CD2 LEU A 34 1.759 5.304 0.981 1.00 0.00 C ATOM 0 H LEU A 34 0.598 7.741 5.210 1.00 0.00 H new ATOM 0 HA LEU A 34 2.166 9.053 3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.757 6.682 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.066 6.227 3.252 1.00 0.00 H new ATOM 0 HG LEU A 34 1.105 7.331 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.298 7.186 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.304 8.380 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.057 6.785 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.842 5.200 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.542 4.719 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.784 4.942 1.306 1.00 0.00 H new ATOM 477 N ASN A 35 0.155 9.441 1.603 1.00 0.00 N ATOM 478 CA ASN A 35 -1.038 9.896 0.899 1.00 0.00 C ATOM 479 C ASN A 35 -1.227 9.126 -0.404 1.00 0.00 C ATOM 480 O ASN A 35 -0.368 9.155 -1.285 1.00 0.00 O ATOM 481 CB ASN A 35 -0.946 11.395 0.610 1.00 0.00 C ATOM 482 CG ASN A 35 -1.196 12.239 1.845 1.00 0.00 C ATOM 483 OD1 ASN A 35 -2.177 12.979 1.916 1.00 0.00 O ATOM 484 ND2 ASN A 35 -0.306 12.131 2.825 1.00 0.00 N ATOM 0 H ASN A 35 1.034 9.697 1.153 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.900 9.709 1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.042 11.625 0.210 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.671 11.659 -0.160 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.421 12.675 3.680 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.492 11.504 2.722 1.00 0.00 H new ATOM 491 N PHE A 36 -2.358 8.437 -0.520 1.00 0.00 N ATOM 492 CA PHE A 36 -2.660 7.659 -1.716 1.00 0.00 C ATOM 493 C PHE A 36 -4.147 7.732 -2.051 1.00 0.00 C ATOM 494 O PHE A 36 -4.951 8.206 -1.250 1.00 0.00 O ATOM 495 CB PHE A 36 -2.242 6.200 -1.519 1.00 0.00 C ATOM 496 CG PHE A 36 -2.918 5.534 -0.355 1.00 0.00 C ATOM 497 CD1 PHE A 36 -2.399 5.652 0.924 1.00 0.00 C ATOM 498 CD2 PHE A 36 -4.072 4.790 -0.540 1.00 0.00 C ATOM 499 CE1 PHE A 36 -3.019 5.039 1.997 1.00 0.00 C ATOM 500 CE2 PHE A 36 -4.697 4.176 0.529 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.170 4.301 1.799 1.00 0.00 C ATOM 0 H PHE A 36 -3.080 8.402 0.200 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.097 8.083 -2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.466 5.641 -2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.162 6.156 -1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.500 6.229 1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.488 4.689 -1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.604 5.137 2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.596 3.599 0.371 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.657 3.823 2.636 1.00 0.00 H new ATOM 511 N GLN A 37 -4.502 7.261 -3.242 1.00 0.00 N ATOM 512 CA GLN A 37 -5.892 7.275 -3.684 1.00 0.00 C ATOM 513 C GLN A 37 -6.332 5.887 -4.138 1.00 0.00 C ATOM 514 O GLN A 37 -5.508 5.057 -4.519 1.00 0.00 O ATOM 515 CB GLN A 37 -6.076 8.279 -4.824 1.00 0.00 C ATOM 516 CG GLN A 37 -5.881 9.725 -4.398 1.00 0.00 C ATOM 517 CD GLN A 37 -6.607 10.702 -5.301 1.00 0.00 C ATOM 518 OE1 GLN A 37 -6.159 10.990 -6.411 1.00 0.00 O ATOM 519 NE2 GLN A 37 -7.735 11.219 -4.828 1.00 0.00 N ATOM 0 H GLN A 37 -3.848 6.866 -3.917 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.513 7.576 -2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.370 8.045 -5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.076 8.163 -5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.236 9.849 -3.375 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.816 9.959 -4.397 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.070 10.952 -3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.267 11.883 -5.391 1.00 0.00 H new ATOM 528 N ALA A 38 -7.638 5.642 -4.093 1.00 0.00 N ATOM 529 CA ALA A 38 -8.188 4.355 -4.500 1.00 0.00 C ATOM 530 C ALA A 38 -7.684 3.956 -5.883 1.00 0.00 C ATOM 531 O ALA A 38 -8.135 4.488 -6.896 1.00 0.00 O ATOM 532 CB ALA A 38 -9.709 4.402 -4.484 1.00 0.00 C ATOM 0 H ALA A 38 -8.334 6.318 -3.779 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.851 3.602 -3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.106 3.434 -4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.055 4.634 -3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.057 5.171 -5.174 1.00 0.00 H new ATOM 538 N GLY A 39 -6.745 3.015 -5.917 1.00 0.00 N ATOM 539 CA GLY A 39 -6.195 2.561 -7.181 1.00 0.00 C ATOM 540 C GLY A 39 -4.687 2.702 -7.241 1.00 0.00 C ATOM 541 O GLY A 39 -4.006 1.899 -7.879 1.00 0.00 O ATOM 0 H GLY A 39 -6.356 2.559 -5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.466 1.517 -7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.643 3.132 -7.995 1.00 0.00 H new ATOM 545 N ASP A 40 -4.163 3.726 -6.576 1.00 0.00 N ATOM 546 CA ASP A 40 -2.726 3.971 -6.557 1.00 0.00 C ATOM 547 C ASP A 40 -1.980 2.778 -5.968 1.00 0.00 C ATOM 548 O ASP A 40 -2.409 2.193 -4.974 1.00 0.00 O ATOM 549 CB ASP A 40 -2.412 5.232 -5.751 1.00 0.00 C ATOM 550 CG ASP A 40 -2.410 6.482 -6.609 1.00 0.00 C ATOM 551 OD1 ASP A 40 -3.507 6.985 -6.928 1.00 0.00 O ATOM 552 OD2 ASP A 40 -1.310 6.957 -6.962 1.00 0.00 O ATOM 0 H ASP A 40 -4.713 4.400 -6.043 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.393 4.114 -7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.147 5.343 -4.954 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.439 5.121 -5.273 1.00 0.00 H new ATOM 557 N ARG A 41 -0.861 2.421 -6.590 1.00 0.00 N ATOM 558 CA ARG A 41 -0.056 1.296 -6.130 1.00 0.00 C ATOM 559 C ARG A 41 0.960 1.746 -5.084 1.00 0.00 C ATOM 560 O ARG A 41 1.705 2.702 -5.300 1.00 0.00 O ATOM 561 CB ARG A 41 0.666 0.641 -7.309 1.00 0.00 C ATOM 562 CG ARG A 41 -0.248 -0.183 -8.201 1.00 0.00 C ATOM 563 CD ARG A 41 -1.147 0.704 -9.048 1.00 0.00 C ATOM 564 NE ARG A 41 -1.501 0.072 -10.316 1.00 0.00 N ATOM 565 CZ ARG A 41 -0.636 -0.131 -11.304 1.00 0.00 C ATOM 566 NH1 ARG A 41 0.628 0.246 -11.170 1.00 0.00 N ATOM 567 NH2 ARG A 41 -1.035 -0.713 -12.427 1.00 0.00 N ATOM 0 H ARG A 41 -0.491 2.895 -7.414 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.725 0.567 -5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.142 1.417 -7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.461 0.000 -6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.353 -0.820 -8.850 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.861 -0.842 -7.586 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.056 0.935 -8.492 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.643 1.650 -9.243 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.466 -0.230 -10.451 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.938 0.693 -10.307 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.290 0.089 -11.930 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.007 -1.005 -12.533 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.370 -0.868 -13.185 1.00 0.00 H new ATOM 581 N ILE A 42 0.983 1.052 -3.951 1.00 0.00 N ATOM 582 CA ILE A 42 1.907 1.380 -2.873 1.00 0.00 C ATOM 583 C ILE A 42 2.941 0.276 -2.680 1.00 0.00 C ATOM 584 O ILE A 42 2.594 -0.879 -2.430 1.00 0.00 O ATOM 585 CB ILE A 42 1.163 1.609 -1.544 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.162 2.758 -1.686 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.153 1.898 -0.426 1.00 0.00 C ATOM 588 CD1 ILE A 42 -1.050 2.617 -0.793 1.00 0.00 C ATOM 0 H ILE A 42 0.372 0.259 -3.756 1.00 0.00 H new ATOM 0 HA ILE A 42 2.413 2.302 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 42 0.614 0.702 -1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.665 3.698 -1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.166 2.817 -2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.612 2.058 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.831 1.052 -0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.727 2.792 -0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.716 3.466 -0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.576 1.694 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.733 2.589 0.249 1.00 0.00 H new ATOM 600 N THR A 43 4.215 0.638 -2.796 1.00 0.00 N ATOM 601 CA THR A 43 5.300 -0.321 -2.634 1.00 0.00 C ATOM 602 C THR A 43 5.542 -0.634 -1.162 1.00 0.00 C ATOM 603 O THR A 43 6.135 0.165 -0.436 1.00 0.00 O ATOM 604 CB THR A 43 6.608 0.201 -3.258 1.00 0.00 C ATOM 605 OG1 THR A 43 6.451 0.350 -4.673 1.00 0.00 O ATOM 606 CG2 THR A 43 7.762 -0.749 -2.968 1.00 0.00 C ATOM 0 H THR A 43 4.520 1.589 -3.002 1.00 0.00 H new ATOM 0 HA THR A 43 4.997 -1.232 -3.151 1.00 0.00 H new ATOM 0 HB THR A 43 6.835 1.170 -2.814 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.286 0.684 -5.061 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.675 -0.360 -3.418 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.898 -0.838 -1.890 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.540 -1.730 -3.388 1.00 0.00 H new ATOM 614 N VAL A 44 5.079 -1.801 -0.726 1.00 0.00 N ATOM 615 CA VAL A 44 5.247 -2.221 0.661 1.00 0.00 C ATOM 616 C VAL A 44 6.712 -2.497 0.978 1.00 0.00 C ATOM 617 O VAL A 44 7.271 -3.507 0.548 1.00 0.00 O ATOM 618 CB VAL A 44 4.420 -3.483 0.969 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.607 -3.903 2.419 1.00 0.00 C ATOM 620 CG2 VAL A 44 2.949 -3.244 0.660 1.00 0.00 C ATOM 0 H VAL A 44 4.584 -2.473 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 44 4.892 -1.401 1.285 1.00 0.00 H new ATOM 0 HB VAL A 44 4.775 -4.294 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.015 -4.796 2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.660 -4.117 2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.280 -3.097 3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.379 -4.146 0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.578 -2.420 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.835 -2.995 -0.395 1.00 0.00 H new ATOM 630 N ILE A 45 7.329 -1.594 1.732 1.00 0.00 N ATOM 631 CA ILE A 45 8.730 -1.742 2.108 1.00 0.00 C ATOM 632 C ILE A 45 8.865 -2.398 3.478 1.00 0.00 C ATOM 633 O ILE A 45 9.764 -3.207 3.704 1.00 0.00 O ATOM 634 CB ILE A 45 9.454 -0.383 2.129 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.549 0.693 2.734 1.00 0.00 C ATOM 636 CG2 ILE A 45 9.884 0.010 0.723 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.264 1.996 3.015 1.00 0.00 C ATOM 0 H ILE A 45 6.881 -0.752 2.095 1.00 0.00 H new ATOM 0 HA ILE A 45 9.193 -2.380 1.355 1.00 0.00 H new ATOM 0 HB ILE A 45 10.346 -0.473 2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.719 0.883 2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.120 0.316 3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.394 0.973 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.560 -0.746 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.006 0.086 0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.562 2.712 3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.077 1.820 3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.669 2.396 2.086 1.00 0.00 H new ATOM 649 N SER A 46 7.964 -2.043 4.389 1.00 0.00 N ATOM 650 CA SER A 46 7.984 -2.596 5.739 1.00 0.00 C ATOM 651 C SER A 46 6.568 -2.895 6.224 1.00 0.00 C ATOM 652 O SER A 46 5.799 -1.984 6.532 1.00 0.00 O ATOM 653 CB SER A 46 8.670 -1.624 6.701 1.00 0.00 C ATOM 654 OG SER A 46 9.215 -2.310 7.815 1.00 0.00 O ATOM 0 H SER A 46 7.212 -1.376 4.217 1.00 0.00 H new ATOM 0 HA SER A 46 8.546 -3.529 5.715 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.461 -1.087 6.178 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.952 -0.879 7.044 1.00 0.00 H new ATOM 0 HG SER A 46 9.649 -1.668 8.414 1.00 0.00 H new ATOM 660 N LYS A 47 6.230 -4.178 6.288 1.00 0.00 N ATOM 661 CA LYS A 47 4.909 -4.600 6.737 1.00 0.00 C ATOM 662 C LYS A 47 5.012 -5.779 7.699 1.00 0.00 C ATOM 663 O LYS A 47 6.077 -6.376 7.855 1.00 0.00 O ATOM 664 CB LYS A 47 4.039 -4.982 5.537 1.00 0.00 C ATOM 665 CG LYS A 47 4.456 -6.282 4.872 1.00 0.00 C ATOM 666 CD LYS A 47 3.340 -6.853 4.014 1.00 0.00 C ATOM 667 CE LYS A 47 2.349 -7.653 4.847 1.00 0.00 C ATOM 668 NZ LYS A 47 2.845 -9.028 5.129 1.00 0.00 N ATOM 0 H LYS A 47 6.853 -4.944 6.034 1.00 0.00 H new ATOM 0 HA LYS A 47 4.447 -3.764 7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.002 -5.067 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.077 -4.179 4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.338 -6.110 4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.737 -7.008 5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.818 -6.042 3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.765 -7.492 3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.163 -7.134 5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.396 -7.711 4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.236 -9.722 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.820 -9.124 4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.826 -9.200 6.154 1.00 0.00 H new ATOM 682 N THR A 48 3.896 -6.111 8.343 1.00 0.00 N ATOM 683 CA THR A 48 3.861 -7.219 9.289 1.00 0.00 C ATOM 684 C THR A 48 2.909 -8.313 8.820 1.00 0.00 C ATOM 685 O THR A 48 2.261 -8.182 7.782 1.00 0.00 O ATOM 686 CB THR A 48 3.431 -6.746 10.691 1.00 0.00 C ATOM 687 OG1 THR A 48 2.087 -6.256 10.652 1.00 0.00 O ATOM 688 CG2 THR A 48 4.360 -5.654 11.202 1.00 0.00 C ATOM 0 H THR A 48 3.005 -5.628 8.226 1.00 0.00 H new ATOM 0 HA THR A 48 4.873 -7.621 9.343 1.00 0.00 H new ATOM 0 HB THR A 48 3.487 -7.597 11.370 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.821 -5.959 11.547 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.037 -5.336 12.193 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.378 -6.039 11.259 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.331 -4.804 10.521 1.00 0.00 H new ATOM 696 N ASP A 49 2.828 -9.391 9.592 1.00 0.00 N ATOM 697 CA ASP A 49 1.953 -10.508 9.256 1.00 0.00 C ATOM 698 C ASP A 49 0.487 -10.090 9.325 1.00 0.00 C ATOM 699 O ASP A 49 -0.278 -10.315 8.388 1.00 0.00 O ATOM 700 CB ASP A 49 2.206 -11.684 10.201 1.00 0.00 C ATOM 701 CG ASP A 49 1.004 -12.601 10.318 1.00 0.00 C ATOM 702 OD1 ASP A 49 0.402 -12.927 9.273 1.00 0.00 O ATOM 703 OD2 ASP A 49 0.667 -12.995 11.454 1.00 0.00 O ATOM 0 H ASP A 49 3.358 -9.515 10.455 1.00 0.00 H new ATOM 0 HA ASP A 49 2.176 -10.818 8.235 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.062 -12.256 9.844 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.467 -11.303 11.189 1.00 0.00 H new ATOM 708 N SER A 50 0.103 -9.481 10.443 1.00 0.00 N ATOM 709 CA SER A 50 -1.272 -9.035 10.636 1.00 0.00 C ATOM 710 C SER A 50 -1.661 -8.000 9.586 1.00 0.00 C ATOM 711 O SER A 50 -0.804 -7.317 9.023 1.00 0.00 O ATOM 712 CB SER A 50 -1.447 -8.447 12.038 1.00 0.00 C ATOM 713 OG SER A 50 -1.250 -9.436 13.034 1.00 0.00 O ATOM 0 H SER A 50 0.724 -9.285 11.228 1.00 0.00 H new ATOM 0 HA SER A 50 -1.927 -9.900 10.527 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.738 -7.632 12.185 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.446 -8.022 12.136 1.00 0.00 H new ATOM 0 HG SER A 50 -1.366 -9.035 13.921 1.00 0.00 H new ATOM 719 N HIS A 51 -2.960 -7.888 9.327 1.00 0.00 N ATOM 720 CA HIS A 51 -3.464 -6.935 8.344 1.00 0.00 C ATOM 721 C HIS A 51 -3.926 -5.649 9.022 1.00 0.00 C ATOM 722 O HIS A 51 -3.384 -4.572 8.769 1.00 0.00 O ATOM 723 CB HIS A 51 -4.617 -7.550 7.551 1.00 0.00 C ATOM 724 CG HIS A 51 -5.543 -8.380 8.386 1.00 0.00 C ATOM 725 ND1 HIS A 51 -5.240 -9.661 8.799 1.00 0.00 N ATOM 726 CD2 HIS A 51 -6.769 -8.105 8.888 1.00 0.00 C ATOM 727 CE1 HIS A 51 -6.241 -10.138 9.517 1.00 0.00 C ATOM 728 NE2 HIS A 51 -7.182 -9.214 9.586 1.00 0.00 N ATOM 0 H HIS A 51 -3.682 -8.445 9.784 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.651 -6.692 7.659 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.187 -6.751 7.076 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.208 -8.169 6.752 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.320 -7.185 8.763 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.283 -11.117 9.971 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.071 -9.308 10.078 1.00 0.00 H new ATOM 737 N PHE A 52 -4.931 -5.768 9.883 1.00 0.00 N ATOM 738 CA PHE A 52 -5.467 -4.614 10.596 1.00 0.00 C ATOM 739 C PHE A 52 -4.360 -3.620 10.933 1.00 0.00 C ATOM 740 O PHE A 52 -4.550 -2.407 10.839 1.00 0.00 O ATOM 741 CB PHE A 52 -6.172 -5.063 11.878 1.00 0.00 C ATOM 742 CG PHE A 52 -7.624 -5.394 11.679 1.00 0.00 C ATOM 743 CD1 PHE A 52 -8.594 -4.410 11.791 1.00 0.00 C ATOM 744 CD2 PHE A 52 -8.018 -6.688 11.380 1.00 0.00 C ATOM 745 CE1 PHE A 52 -9.930 -4.712 11.610 1.00 0.00 C ATOM 746 CE2 PHE A 52 -9.353 -6.995 11.197 1.00 0.00 C ATOM 747 CZ PHE A 52 -10.310 -6.006 11.311 1.00 0.00 C ATOM 0 H PHE A 52 -5.391 -6.651 10.104 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.189 -4.120 9.946 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.660 -5.938 12.278 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.086 -4.274 12.626 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.302 -3.396 12.022 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.274 -7.465 11.289 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.677 -3.937 11.702 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.648 -8.008 10.965 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.354 -6.244 11.167 1.00 0.00 H new ATOM 757 N ASP A 53 -3.203 -4.142 11.326 1.00 0.00 N ATOM 758 CA ASP A 53 -2.064 -3.302 11.677 1.00 0.00 C ATOM 759 C ASP A 53 -1.711 -2.360 10.530 1.00 0.00 C ATOM 760 O ASP A 53 -2.185 -2.528 9.407 1.00 0.00 O ATOM 761 CB ASP A 53 -0.855 -4.168 12.034 1.00 0.00 C ATOM 762 CG ASP A 53 -0.995 -4.825 13.393 1.00 0.00 C ATOM 763 OD1 ASP A 53 -1.920 -5.647 13.562 1.00 0.00 O ATOM 764 OD2 ASP A 53 -0.179 -4.519 14.286 1.00 0.00 O ATOM 0 H ASP A 53 -3.029 -5.144 11.409 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.339 -2.702 12.545 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.726 -4.938 11.273 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.045 -3.553 12.022 1.00 0.00 H new ATOM 769 N TRP A 54 -0.875 -1.369 10.821 1.00 0.00 N ATOM 770 CA TRP A 54 -0.459 -0.400 9.814 1.00 0.00 C ATOM 771 C TRP A 54 0.876 -0.799 9.194 1.00 0.00 C ATOM 772 O TRP A 54 1.785 -1.249 9.892 1.00 0.00 O ATOM 773 CB TRP A 54 -0.352 0.995 10.433 1.00 0.00 C ATOM 774 CG TRP A 54 -1.681 1.655 10.644 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.771 1.120 11.268 1.00 0.00 C ATOM 776 CD2 TRP A 54 -2.059 2.971 10.228 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.805 2.025 11.266 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.393 3.169 10.634 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.401 4.003 9.554 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -4.079 4.356 10.387 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -2.082 5.180 9.309 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.409 5.349 9.725 1.00 0.00 C ATOM 0 H TRP A 54 -0.472 -1.216 11.746 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.213 -0.384 9.027 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.165 0.921 11.390 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.260 1.625 9.788 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.814 0.131 11.700 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.729 1.870 11.669 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.378 3.883 9.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.102 4.488 10.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.583 5.983 8.788 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.913 6.282 9.519 1.00 0.00 H new ATOM 793 N TRP A 55 0.987 -0.630 7.881 1.00 0.00 N ATOM 794 CA TRP A 55 2.212 -0.973 7.168 1.00 0.00 C ATOM 795 C TRP A 55 2.882 0.276 6.605 1.00 0.00 C ATOM 796 O TRP A 55 2.311 1.365 6.641 1.00 0.00 O ATOM 797 CB TRP A 55 1.910 -1.958 6.038 1.00 0.00 C ATOM 798 CG TRP A 55 1.367 -3.269 6.521 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.412 -3.754 7.797 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.699 -4.262 5.735 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.812 -4.989 7.851 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.366 -5.323 6.600 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.348 -4.357 4.386 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.299 -6.463 6.157 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.312 -5.490 3.948 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.630 -6.530 4.831 1.00 0.00 C ATOM 0 H TRP A 55 0.244 -0.258 7.289 1.00 0.00 H new ATOM 0 HA TRP A 55 2.896 -1.442 7.876 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.192 -1.506 5.354 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.822 -2.138 5.469 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.854 -3.242 8.639 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.715 -5.564 8.688 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.588 -3.560 3.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.545 -7.266 6.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.587 -5.575 2.907 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.147 -7.402 4.458 1.00 0.00 H new ATOM 817 N GLU A 56 4.094 0.109 6.087 1.00 0.00 N ATOM 818 CA GLU A 56 4.841 1.225 5.518 1.00 0.00 C ATOM 819 C GLU A 56 5.206 0.949 4.062 1.00 0.00 C ATOM 820 O GLU A 56 5.942 0.010 3.763 1.00 0.00 O ATOM 821 CB GLU A 56 6.109 1.488 6.332 1.00 0.00 C ATOM 822 CG GLU A 56 6.823 2.773 5.948 1.00 0.00 C ATOM 823 CD GLU A 56 8.009 3.072 6.846 1.00 0.00 C ATOM 824 OE1 GLU A 56 7.798 3.644 7.935 1.00 0.00 O ATOM 825 OE2 GLU A 56 9.147 2.733 6.458 1.00 0.00 O ATOM 0 H GLU A 56 4.580 -0.787 6.049 1.00 0.00 H new ATOM 0 HA GLU A 56 4.205 2.110 5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.850 1.529 7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.794 0.650 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.163 2.701 4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.119 3.603 5.994 1.00 0.00 H new ATOM 832 N GLY A 57 4.684 1.775 3.160 1.00 0.00 N ATOM 833 CA GLY A 57 4.965 1.604 1.747 1.00 0.00 C ATOM 834 C GLY A 57 5.448 2.883 1.092 1.00 0.00 C ATOM 835 O GLY A 57 5.565 3.919 1.747 1.00 0.00 O ATOM 0 H GLY A 57 4.071 2.560 3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.720 0.828 1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.064 1.258 1.240 1.00 0.00 H new ATOM 839 N LYS A 58 5.733 2.811 -0.204 1.00 0.00 N ATOM 840 CA LYS A 58 6.207 3.972 -0.949 1.00 0.00 C ATOM 841 C LYS A 58 5.327 4.233 -2.167 1.00 0.00 C ATOM 842 O LYS A 58 4.936 3.303 -2.874 1.00 0.00 O ATOM 843 CB LYS A 58 7.657 3.763 -1.389 1.00 0.00 C ATOM 844 CG LYS A 58 8.675 4.124 -0.321 1.00 0.00 C ATOM 845 CD LYS A 58 9.936 3.284 -0.445 1.00 0.00 C ATOM 846 CE LYS A 58 10.948 3.932 -1.378 1.00 0.00 C ATOM 847 NZ LYS A 58 11.850 4.868 -0.652 1.00 0.00 N ATOM 0 H LYS A 58 5.644 1.961 -0.760 1.00 0.00 H new ATOM 0 HA LYS A 58 6.155 4.841 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.795 2.720 -1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.848 4.363 -2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.931 5.180 -0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.235 3.979 0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.382 3.148 0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.679 2.292 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.542 3.158 -1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.422 4.472 -2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.525 5.289 -1.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.285 5.621 -0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.371 4.348 0.083 1.00 0.00 H new ATOM 861 N LEU A 59 5.020 5.503 -2.408 1.00 0.00 N ATOM 862 CA LEU A 59 4.187 5.887 -3.542 1.00 0.00 C ATOM 863 C LEU A 59 4.739 7.134 -4.225 1.00 0.00 C ATOM 864 O LEU A 59 4.999 8.147 -3.575 1.00 0.00 O ATOM 865 CB LEU A 59 2.750 6.137 -3.084 1.00 0.00 C ATOM 866 CG LEU A 59 1.844 6.861 -4.080 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.492 5.947 -5.244 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.582 7.358 -3.389 1.00 0.00 C ATOM 0 H LEU A 59 5.336 6.284 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 59 4.195 5.067 -4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.295 5.177 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.780 6.718 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 59 2.383 7.723 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.847 6.480 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.405 5.640 -5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.972 5.065 -4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.051 7.871 -4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.040 6.511 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.852 8.048 -2.590 1.00 0.00 H new ATOM 880 N ARG A 60 4.914 7.054 -5.540 1.00 0.00 N ATOM 881 CA ARG A 60 5.434 8.177 -6.311 1.00 0.00 C ATOM 882 C ARG A 60 6.708 8.729 -5.678 1.00 0.00 C ATOM 883 O ARG A 60 7.006 9.916 -5.793 1.00 0.00 O ATOM 884 CB ARG A 60 4.382 9.283 -6.414 1.00 0.00 C ATOM 885 CG ARG A 60 3.286 8.990 -7.426 1.00 0.00 C ATOM 886 CD ARG A 60 1.973 9.646 -7.031 1.00 0.00 C ATOM 887 NE ARG A 60 1.845 10.991 -7.584 1.00 0.00 N ATOM 888 CZ ARG A 60 1.746 11.245 -8.884 1.00 0.00 C ATOM 889 NH1 ARG A 60 1.759 10.250 -9.760 1.00 0.00 N ATOM 890 NH2 ARG A 60 1.632 12.497 -9.310 1.00 0.00 N ATOM 0 H ARG A 60 4.703 6.224 -6.094 1.00 0.00 H new ATOM 0 HA ARG A 60 5.673 7.818 -7.312 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.929 9.434 -5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.874 10.217 -6.685 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.592 9.348 -8.409 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.145 7.912 -7.509 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.142 9.031 -7.377 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.904 9.693 -5.944 1.00 0.00 H new ATOM 0 HE ARG A 60 1.831 11.779 -6.937 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.845 9.287 -9.436 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.683 10.448 -10.758 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.620 13.265 -8.639 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.556 12.691 -10.308 1.00 0.00 H new ATOM 904 N GLY A 61 7.454 7.857 -5.007 1.00 0.00 N ATOM 905 CA GLY A 61 8.686 8.276 -4.364 1.00 0.00 C ATOM 906 C GLY A 61 8.490 8.613 -2.899 1.00 0.00 C ATOM 907 O GLY A 61 9.432 8.544 -2.110 1.00 0.00 O ATOM 0 H GLY A 61 7.228 6.869 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.428 7.483 -4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.085 9.147 -4.884 1.00 0.00 H new ATOM 911 N GLN A 62 7.266 8.980 -2.537 1.00 0.00 N ATOM 912 CA GLN A 62 6.951 9.332 -1.157 1.00 0.00 C ATOM 913 C GLN A 62 6.997 8.101 -0.258 1.00 0.00 C ATOM 914 O GLN A 62 7.024 6.967 -0.738 1.00 0.00 O ATOM 915 CB GLN A 62 5.570 9.985 -1.078 1.00 0.00 C ATOM 916 CG GLN A 62 5.589 11.481 -1.347 1.00 0.00 C ATOM 917 CD GLN A 62 4.230 12.126 -1.154 1.00 0.00 C ATOM 918 OE1 GLN A 62 3.222 11.644 -1.673 1.00 0.00 O ATOM 919 NE2 GLN A 62 4.195 13.222 -0.406 1.00 0.00 N ATOM 0 H GLN A 62 6.476 9.042 -3.179 1.00 0.00 H new ATOM 0 HA GLN A 62 7.701 10.042 -0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.908 9.503 -1.797 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.149 9.807 -0.088 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.310 11.957 -0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.930 11.659 -2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.054 13.587 0.005 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.309 13.699 -0.242 1.00 0.00 H new ATOM 928 N THR A 63 7.005 8.331 1.052 1.00 0.00 N ATOM 929 CA THR A 63 7.050 7.242 2.019 1.00 0.00 C ATOM 930 C THR A 63 6.252 7.586 3.271 1.00 0.00 C ATOM 931 O THR A 63 6.274 8.723 3.741 1.00 0.00 O ATOM 932 CB THR A 63 8.498 6.907 2.423 1.00 0.00 C ATOM 933 OG1 THR A 63 9.357 6.992 1.280 1.00 0.00 O ATOM 934 CG2 THR A 63 8.584 5.514 3.026 1.00 0.00 C ATOM 0 H THR A 63 6.981 9.262 1.467 1.00 0.00 H new ATOM 0 HA THR A 63 6.606 6.372 1.535 1.00 0.00 H new ATOM 0 HB THR A 63 8.819 7.630 3.173 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.276 6.779 1.545 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.616 5.301 3.303 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.952 5.462 3.912 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.245 4.780 2.295 1.00 0.00 H new ATOM 942 N GLY A 64 5.547 6.595 3.809 1.00 0.00 N ATOM 943 CA GLY A 64 4.752 6.813 5.003 1.00 0.00 C ATOM 944 C GLY A 64 4.009 5.566 5.442 1.00 0.00 C ATOM 945 O GLY A 64 4.100 4.522 4.795 1.00 0.00 O ATOM 0 H GLY A 64 5.513 5.645 3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.401 7.149 5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.035 7.613 4.817 1.00 0.00 H new ATOM 949 N ILE A 65 3.275 5.674 6.544 1.00 0.00 N ATOM 950 CA ILE A 65 2.515 4.545 7.068 1.00 0.00 C ATOM 951 C ILE A 65 1.057 4.614 6.629 1.00 0.00 C ATOM 952 O ILE A 65 0.524 5.694 6.372 1.00 0.00 O ATOM 953 CB ILE A 65 2.575 4.492 8.606 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.056 5.802 9.204 1.00 0.00 C ATOM 955 CG2 ILE A 65 3.996 4.217 9.072 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.451 5.640 10.581 1.00 0.00 C ATOM 0 H ILE A 65 3.190 6.531 7.091 1.00 0.00 H new ATOM 0 HA ILE A 65 2.971 3.641 6.664 1.00 0.00 H new ATOM 0 HB ILE A 65 1.937 3.679 8.952 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.877 6.517 9.258 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.307 6.226 8.535 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.022 4.183 10.161 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.332 3.261 8.671 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.655 5.010 8.719 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.105 6.608 10.942 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.609 4.949 10.530 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.203 5.245 11.265 1.00 0.00 H new ATOM 968 N PHE A 66 0.415 3.453 6.546 1.00 0.00 N ATOM 969 CA PHE A 66 -0.984 3.380 6.138 1.00 0.00 C ATOM 970 C PHE A 66 -1.587 2.027 6.502 1.00 0.00 C ATOM 971 O PHE A 66 -0.893 1.013 6.590 1.00 0.00 O ATOM 972 CB PHE A 66 -1.111 3.620 4.632 1.00 0.00 C ATOM 973 CG PHE A 66 -0.497 2.533 3.798 1.00 0.00 C ATOM 974 CD1 PHE A 66 -1.185 1.354 3.556 1.00 0.00 C ATOM 975 CD2 PHE A 66 0.769 2.688 3.256 1.00 0.00 C ATOM 976 CE1 PHE A 66 -0.623 0.352 2.789 1.00 0.00 C ATOM 977 CE2 PHE A 66 1.336 1.689 2.488 1.00 0.00 C ATOM 978 CZ PHE A 66 0.640 0.519 2.255 1.00 0.00 C ATOM 0 H PHE A 66 0.841 2.550 6.756 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.533 4.157 6.670 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.166 3.712 4.375 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.638 4.570 4.382 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.172 1.217 3.972 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.319 3.600 3.436 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.170 -0.561 2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.323 1.823 2.070 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.082 -0.264 1.657 1.00 0.00 H new ATOM 988 N PRO A 67 -2.910 2.008 6.720 1.00 0.00 N ATOM 989 CA PRO A 67 -3.636 0.786 7.078 1.00 0.00 C ATOM 990 C PRO A 67 -3.715 -0.202 5.920 1.00 0.00 C ATOM 991 O PRO A 67 -4.234 0.119 4.851 1.00 0.00 O ATOM 992 CB PRO A 67 -5.033 1.297 7.440 1.00 0.00 C ATOM 993 CG PRO A 67 -5.175 2.576 6.689 1.00 0.00 C ATOM 994 CD PRO A 67 -3.799 3.179 6.633 1.00 0.00 C ATOM 0 HA PRO A 67 -3.144 0.241 7.883 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.803 0.581 7.152 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.131 1.456 8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.564 2.399 5.686 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.875 3.246 7.189 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.641 3.736 5.709 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.631 3.873 7.456 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.195 -1.406 6.139 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.209 -2.442 5.114 1.00 0.00 C ATOM 1004 C ALA A 68 -4.635 -2.768 4.682 1.00 0.00 C ATOM 1005 O ALA A 68 -4.856 -3.322 3.606 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.509 -3.694 5.620 1.00 0.00 C ATOM 0 H ALA A 68 -2.759 -1.687 7.017 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.671 -2.065 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.527 -4.460 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.475 -3.456 5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.022 -4.064 6.507 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.599 -2.420 5.528 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.004 -2.677 5.233 1.00 0.00 C ATOM 1014 C ASN A 69 -7.488 -1.799 4.083 1.00 0.00 C ATOM 1015 O ASN A 69 -8.543 -2.049 3.500 1.00 0.00 O ATOM 1016 CB ASN A 69 -7.861 -2.428 6.476 1.00 0.00 C ATOM 1017 CG ASN A 69 -9.336 -2.670 6.219 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -10.136 -1.735 6.205 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -9.701 -3.930 6.015 1.00 0.00 N ATOM 0 H ASN A 69 -5.433 -1.960 6.423 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.102 -3.721 4.935 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.524 -3.079 7.283 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.717 -1.402 6.813 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.680 -4.155 5.837 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.003 -4.673 6.036 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.710 -0.772 3.762 1.00 0.00 N ATOM 1027 CA TYR A 70 -7.059 0.144 2.683 1.00 0.00 C ATOM 1028 C TYR A 70 -6.463 -0.322 1.358 1.00 0.00 C ATOM 1029 O TYR A 70 -6.715 0.270 0.308 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.571 1.557 3.006 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.579 2.387 3.768 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -8.124 1.931 4.962 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -7.986 3.628 3.294 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -9.047 2.685 5.660 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.906 4.390 3.987 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.434 3.915 5.169 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.352 4.670 5.863 1.00 0.00 O ATOM 0 H TYR A 70 -5.833 -0.553 4.234 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.145 0.155 2.588 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.653 1.491 3.589 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.322 2.068 2.076 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.821 0.970 5.351 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.576 4.003 2.368 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.463 2.314 6.585 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.210 5.353 3.605 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.515 5.509 5.383 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.671 -1.388 1.415 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.039 -1.936 0.221 1.00 0.00 C ATOM 1049 C VAL A 71 -5.323 -3.428 0.085 1.00 0.00 C ATOM 1050 O VAL A 71 -6.046 -4.011 0.894 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.515 -1.714 0.240 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.191 -0.266 0.574 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -2.852 -2.660 1.230 1.00 0.00 C ATOM 0 H VAL A 71 -5.452 -1.889 2.276 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.464 -1.409 -0.633 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.121 -1.929 -0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.110 -0.128 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.634 0.388 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.596 -0.019 1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.775 -2.490 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.249 -2.478 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.056 -3.691 0.941 1.00 0.00 H new ATOM 1063 N THR A 72 -4.749 -4.042 -0.945 1.00 0.00 N ATOM 1064 CA THR A 72 -4.940 -5.466 -1.189 1.00 0.00 C ATOM 1065 C THR A 72 -3.729 -6.071 -1.890 1.00 0.00 C ATOM 1066 O THR A 72 -3.225 -5.518 -2.867 1.00 0.00 O ATOM 1067 CB THR A 72 -6.196 -5.727 -2.041 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.431 -7.135 -2.150 1.00 0.00 O ATOM 1069 CG2 THR A 72 -6.043 -5.124 -3.429 1.00 0.00 C ATOM 0 H THR A 72 -4.148 -3.575 -1.624 1.00 0.00 H new ATOM 0 HA THR A 72 -5.067 -5.939 -0.215 1.00 0.00 H new ATOM 0 HB THR A 72 -7.046 -5.255 -1.549 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.232 -7.292 -2.692 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.942 -5.321 -4.012 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.894 -4.048 -3.344 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.182 -5.571 -3.927 1.00 0.00 H new