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= -0.562 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= -0.0219 USER MOD Single : A 35 ASN : amide:sc= -1.62 K(o=-1.6,f=-4.8!) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.55) 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+ 161:sc= 0 (180deg=-0.325) 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= -0.424 X(o=-0.42,f=-0.46) USER MOD Single : A 62 GLN : amide:sc= -0.0569 K(o=-0.057,f=-1.2) USER MOD Single : A 69 ASN : amide:sc= -0.939 K(o=-0.94,f=-5.4!) 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 10.301 -5.728 -2.118 1.00 0.00 N ATOM 211 CA PRO A 17 9.042 -5.159 -1.627 1.00 0.00 C ATOM 212 C PRO A 17 7.822 -5.834 -2.244 1.00 0.00 C ATOM 213 O PRO A 17 7.951 -6.718 -3.091 1.00 0.00 O ATOM 214 CB PRO A 17 9.122 -3.694 -2.065 1.00 0.00 C ATOM 215 CG PRO A 17 10.033 -3.700 -3.243 1.00 0.00 C ATOM 216 CD PRO A 17 11.033 -4.794 -2.989 1.00 0.00 C ATOM 0 HA PRO A 17 8.926 -5.291 -0.551 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.138 -3.305 -2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.512 -3.063 -1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.479 -3.884 -4.164 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.530 -2.736 -3.357 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.349 -5.273 -3.916 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.932 -4.413 -2.504 1.00 0.00 H new ATOM 224 N ILE A 18 6.638 -5.411 -1.813 1.00 0.00 N ATOM 225 CA ILE A 18 5.394 -5.974 -2.325 1.00 0.00 C ATOM 226 C ILE A 18 4.548 -4.906 -3.010 1.00 0.00 C ATOM 227 O ILE A 18 4.700 -3.715 -2.742 1.00 0.00 O ATOM 228 CB ILE A 18 4.567 -6.626 -1.201 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.485 -7.372 -0.230 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.528 -7.569 -1.787 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.772 -7.882 1.003 1.00 0.00 C ATOM 0 H ILE A 18 6.514 -4.681 -1.111 1.00 0.00 H new ATOM 0 HA ILE A 18 5.669 -6.738 -3.053 1.00 0.00 H new ATOM 0 HB ILE A 18 4.047 -5.842 -0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.943 -8.214 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.294 -6.708 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.952 -8.022 -0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.859 -7.011 -2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.028 -8.351 -2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.483 -8.400 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.337 -7.042 1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.981 -8.571 0.707 1.00 0.00 H new ATOM 243 N GLU A 19 3.655 -5.342 -3.893 1.00 0.00 N ATOM 244 CA GLU A 19 2.784 -4.423 -4.615 1.00 0.00 C ATOM 245 C GLU A 19 1.328 -4.615 -4.201 1.00 0.00 C ATOM 246 O GLU A 19 0.781 -5.713 -4.305 1.00 0.00 O ATOM 247 CB GLU A 19 2.928 -4.628 -6.124 1.00 0.00 C ATOM 248 CG GLU A 19 4.046 -3.808 -6.746 1.00 0.00 C ATOM 249 CD GLU A 19 4.042 -3.871 -8.261 1.00 0.00 C ATOM 250 OE1 GLU A 19 3.579 -4.892 -8.811 1.00 0.00 O ATOM 251 OE2 GLU A 19 4.501 -2.899 -8.897 1.00 0.00 O ATOM 0 H GLU A 19 3.516 -6.325 -4.125 1.00 0.00 H new ATOM 0 HA GLU A 19 3.084 -3.406 -4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.110 -5.684 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.986 -4.370 -6.609 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.950 -2.770 -6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.005 -4.167 -6.374 1.00 0.00 H new ATOM 258 N VAL A 20 0.705 -3.539 -3.730 1.00 0.00 N ATOM 259 CA VAL A 20 -0.687 -3.588 -3.301 1.00 0.00 C ATOM 260 C VAL A 20 -1.496 -2.458 -3.929 1.00 0.00 C ATOM 261 O VAL A 20 -0.983 -1.361 -4.150 1.00 0.00 O ATOM 262 CB VAL A 20 -0.805 -3.498 -1.768 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.170 -4.714 -1.111 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.168 -2.213 -1.259 1.00 0.00 C ATOM 0 H VAL A 20 1.143 -2.623 -3.636 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.087 -4.546 -3.634 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.862 -3.482 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.263 -4.633 -0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.676 -5.617 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.885 -4.765 -1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.261 -2.166 -0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.887 -2.196 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.673 -1.356 -1.704 1.00 0.00 H new ATOM 274 N THR A 21 -2.765 -2.734 -4.215 1.00 0.00 N ATOM 275 CA THR A 21 -3.645 -1.742 -4.818 1.00 0.00 C ATOM 276 C THR A 21 -4.575 -1.127 -3.778 1.00 0.00 C ATOM 277 O THR A 21 -5.396 -1.820 -3.178 1.00 0.00 O ATOM 278 CB THR A 21 -4.493 -2.357 -5.948 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.655 -3.096 -6.843 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.235 -1.274 -6.718 1.00 0.00 C ATOM 0 H THR A 21 -3.206 -3.637 -4.038 1.00 0.00 H new ATOM 0 HA THR A 21 -3.006 -0.964 -5.235 1.00 0.00 H new ATOM 0 HB THR A 21 -5.225 -3.028 -5.499 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.202 -3.485 -7.557 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.827 -1.732 -7.511 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.894 -0.732 -6.040 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.516 -0.581 -7.156 1.00 0.00 H new ATOM 288 N ALA A 22 -4.440 0.179 -3.570 1.00 0.00 N ATOM 289 CA ALA A 22 -5.270 0.888 -2.604 1.00 0.00 C ATOM 290 C ALA A 22 -6.750 0.750 -2.946 1.00 0.00 C ATOM 291 O ALA A 22 -7.243 1.381 -3.882 1.00 0.00 O ATOM 292 CB ALA A 22 -4.875 2.356 -2.546 1.00 0.00 C ATOM 0 H ALA A 22 -3.764 0.767 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.107 0.440 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.503 2.873 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.830 2.440 -2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.008 2.808 -3.529 1.00 0.00 H new ATOM 298 N LEU A 23 -7.453 -0.079 -2.182 1.00 0.00 N ATOM 299 CA LEU A 23 -8.878 -0.301 -2.405 1.00 0.00 C ATOM 300 C LEU A 23 -9.665 0.994 -2.229 1.00 0.00 C ATOM 301 O LEU A 23 -10.691 1.202 -2.876 1.00 0.00 O ATOM 302 CB LEU A 23 -9.405 -1.366 -1.442 1.00 0.00 C ATOM 303 CG LEU A 23 -8.658 -2.700 -1.443 1.00 0.00 C ATOM 304 CD1 LEU A 23 -9.185 -3.608 -0.343 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.779 -3.378 -2.800 1.00 0.00 C ATOM 0 H LEU A 23 -7.060 -0.608 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.010 -0.649 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.379 -0.958 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.451 -1.558 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.603 -2.504 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.641 -4.553 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.046 -3.126 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.246 -3.797 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.241 -4.326 -2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.830 -3.561 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.352 -2.733 -3.568 1.00 0.00 H new ATOM 317 N TYR A 24 -9.175 1.863 -1.351 1.00 0.00 N ATOM 318 CA TYR A 24 -9.832 3.138 -1.089 1.00 0.00 C ATOM 319 C TYR A 24 -8.807 4.256 -0.930 1.00 0.00 C ATOM 320 O TYR A 24 -7.630 4.003 -0.677 1.00 0.00 O ATOM 321 CB TYR A 24 -10.698 3.041 0.168 1.00 0.00 C ATOM 322 CG TYR A 24 -11.538 1.786 0.230 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.726 1.686 -0.486 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.147 0.700 1.004 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.497 0.541 -0.432 1.00 0.00 C ATOM 326 CE2 TYR A 24 -11.911 -0.449 1.062 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.086 -0.523 0.343 1.00 0.00 C ATOM 328 OH TYR A 24 -13.851 -1.666 0.399 1.00 0.00 O ATOM 0 H TYR A 24 -8.325 1.707 -0.809 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.468 3.372 -1.942 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.054 3.081 1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.354 3.910 0.215 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.051 2.517 -1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.229 0.756 1.570 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.417 0.479 -0.994 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.591 -1.285 1.667 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.420 -2.320 0.988 1.00 0.00 H new ATOM 338 N SER A 25 -9.265 5.495 -1.079 1.00 0.00 N ATOM 339 CA SER A 25 -8.389 6.654 -0.956 1.00 0.00 C ATOM 340 C SER A 25 -8.022 6.904 0.504 1.00 0.00 C ATOM 341 O SER A 25 -8.674 6.396 1.416 1.00 0.00 O ATOM 342 CB SER A 25 -9.063 7.895 -1.544 1.00 0.00 C ATOM 343 OG SER A 25 -8.136 8.956 -1.695 1.00 0.00 O ATOM 0 H SER A 25 -10.238 5.722 -1.285 1.00 0.00 H new ATOM 0 HA SER A 25 -7.475 6.448 -1.513 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.501 7.651 -2.512 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.880 8.211 -0.895 1.00 0.00 H new ATOM 0 HG SER A 25 -8.591 9.737 -2.074 1.00 0.00 H new ATOM 349 N PHE A 26 -6.973 7.691 0.717 1.00 0.00 N ATOM 350 CA PHE A 26 -6.517 8.009 2.065 1.00 0.00 C ATOM 351 C PHE A 26 -5.672 9.280 2.068 1.00 0.00 C ATOM 352 O PHE A 26 -5.215 9.736 1.021 1.00 0.00 O ATOM 353 CB PHE A 26 -5.709 6.845 2.641 1.00 0.00 C ATOM 354 CG PHE A 26 -5.001 7.182 3.922 1.00 0.00 C ATOM 355 CD1 PHE A 26 -5.679 7.161 5.130 1.00 0.00 C ATOM 356 CD2 PHE A 26 -3.657 7.521 3.918 1.00 0.00 C ATOM 357 CE1 PHE A 26 -5.030 7.471 6.311 1.00 0.00 C ATOM 358 CE2 PHE A 26 -3.003 7.831 5.095 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.690 7.807 6.293 1.00 0.00 C ATOM 0 H PHE A 26 -6.423 8.120 -0.027 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.395 8.176 2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.377 6.001 2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.974 6.523 1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.727 6.899 5.150 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.115 7.543 2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.570 7.450 7.246 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.955 8.092 5.078 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.181 8.050 7.214 1.00 0.00 H new ATOM 369 N GLU A 27 -5.470 9.847 3.254 1.00 0.00 N ATOM 370 CA GLU A 27 -4.682 11.065 3.393 1.00 0.00 C ATOM 371 C GLU A 27 -4.005 11.123 4.760 1.00 0.00 C ATOM 372 O GLU A 27 -4.668 11.258 5.787 1.00 0.00 O ATOM 373 CB GLU A 27 -5.567 12.298 3.198 1.00 0.00 C ATOM 374 CG GLU A 27 -5.704 12.725 1.746 1.00 0.00 C ATOM 375 CD GLU A 27 -6.662 13.887 1.568 1.00 0.00 C ATOM 376 OE1 GLU A 27 -7.699 13.914 2.264 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.374 14.770 0.733 1.00 0.00 O ATOM 0 H GLU A 27 -5.841 9.482 4.131 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.910 11.056 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.558 12.091 3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.154 13.126 3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.724 13.004 1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.051 11.879 1.153 1.00 0.00 H new ATOM 384 N GLY A 28 -2.680 11.018 4.763 1.00 0.00 N ATOM 385 CA GLY A 28 -1.935 11.059 6.007 1.00 0.00 C ATOM 386 C GLY A 28 -2.240 12.299 6.825 1.00 0.00 C ATOM 387 O GLY A 28 -1.956 13.417 6.396 1.00 0.00 O ATOM 0 H GLY A 28 -2.109 10.905 3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.169 10.172 6.596 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.868 11.025 5.789 1.00 0.00 H new ATOM 439 N GLY A 32 4.451 12.109 8.640 1.00 0.00 N ATOM 440 CA GLY A 32 5.187 10.896 8.333 1.00 0.00 C ATOM 441 C GLY A 32 4.367 9.908 7.528 1.00 0.00 C ATOM 442 O GLY A 32 4.912 9.136 6.739 1.00 0.00 O ATOM 0 HA2 GLY A 32 6.089 11.153 7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.508 10.425 9.262 1.00 0.00 H new ATOM 446 N ASP A 33 3.054 9.929 7.729 1.00 0.00 N ATOM 447 CA ASP A 33 2.157 9.027 7.017 1.00 0.00 C ATOM 448 C ASP A 33 2.294 9.204 5.508 1.00 0.00 C ATOM 449 O ASP A 33 3.040 10.064 5.038 1.00 0.00 O ATOM 450 CB ASP A 33 0.709 9.272 7.443 1.00 0.00 C ATOM 451 CG ASP A 33 0.529 9.209 8.947 1.00 0.00 C ATOM 452 OD1 ASP A 33 1.416 8.653 9.627 1.00 0.00 O ATOM 453 OD2 ASP A 33 -0.500 9.715 9.443 1.00 0.00 O ATOM 0 H ASP A 33 2.587 10.561 8.379 1.00 0.00 H new ATOM 0 HA ASP A 33 2.433 8.004 7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.388 10.249 7.082 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.064 8.530 6.972 1.00 0.00 H new ATOM 458 N LEU A 34 1.569 8.385 4.753 1.00 0.00 N ATOM 459 CA LEU A 34 1.610 8.451 3.296 1.00 0.00 C ATOM 460 C LEU A 34 0.221 8.715 2.724 1.00 0.00 C ATOM 461 O LEU A 34 -0.776 8.194 3.221 1.00 0.00 O ATOM 462 CB LEU A 34 2.170 7.148 2.723 1.00 0.00 C ATOM 463 CG LEU A 34 2.146 7.020 1.200 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.399 7.631 0.592 1.00 0.00 C ATOM 465 CD2 LEU A 34 2.009 5.561 0.790 1.00 0.00 C ATOM 0 H LEU A 34 0.946 7.668 5.125 1.00 0.00 H new ATOM 0 HA LEU A 34 2.263 9.276 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.201 7.039 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.607 6.316 3.146 1.00 0.00 H new ATOM 0 HG LEU A 34 1.281 7.566 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.363 7.530 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.454 8.687 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.279 7.114 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.994 5.489 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.854 4.993 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.081 5.155 1.194 1.00 0.00 H new ATOM 477 N ASN A 35 0.164 9.529 1.674 1.00 0.00 N ATOM 478 CA ASN A 35 -1.102 9.861 1.033 1.00 0.00 C ATOM 479 C ASN A 35 -1.242 9.138 -0.304 1.00 0.00 C ATOM 480 O ASN A 35 -0.357 9.211 -1.156 1.00 0.00 O ATOM 481 CB ASN A 35 -1.209 11.373 0.821 1.00 0.00 C ATOM 482 CG ASN A 35 -1.124 12.146 2.123 1.00 0.00 C ATOM 483 OD1 ASN A 35 -2.132 12.636 2.634 1.00 0.00 O ATOM 484 ND2 ASN A 35 0.082 12.259 2.666 1.00 0.00 N ATOM 0 H ASN A 35 0.980 9.970 1.250 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.909 9.534 1.689 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.412 11.701 0.154 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.153 11.602 0.326 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.201 12.768 3.542 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.889 11.837 2.207 1.00 0.00 H new ATOM 491 N PHE A 36 -2.360 8.442 -0.479 1.00 0.00 N ATOM 492 CA PHE A 36 -2.616 7.705 -1.712 1.00 0.00 C ATOM 493 C PHE A 36 -4.084 7.812 -2.114 1.00 0.00 C ATOM 494 O PHE A 36 -4.874 8.475 -1.444 1.00 0.00 O ATOM 495 CB PHE A 36 -2.227 6.235 -1.542 1.00 0.00 C ATOM 496 CG PHE A 36 -2.919 5.561 -0.391 1.00 0.00 C ATOM 497 CD1 PHE A 36 -2.453 5.720 0.904 1.00 0.00 C ATOM 498 CD2 PHE A 36 -4.036 4.769 -0.605 1.00 0.00 C ATOM 499 CE1 PHE A 36 -3.087 5.100 1.964 1.00 0.00 C ATOM 500 CE2 PHE A 36 -4.675 4.148 0.451 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.200 4.314 1.737 1.00 0.00 C ATOM 0 H PHE A 36 -3.103 8.372 0.216 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.008 8.145 -2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.460 5.697 -2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.149 6.167 -1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.585 6.335 1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.411 4.636 -1.609 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.713 5.230 2.969 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.545 3.534 0.271 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.698 3.830 2.564 1.00 0.00 H new ATOM 511 N GLN A 37 -4.439 7.154 -3.213 1.00 0.00 N ATOM 512 CA GLN A 37 -5.811 7.176 -3.706 1.00 0.00 C ATOM 513 C GLN A 37 -6.254 5.784 -4.144 1.00 0.00 C ATOM 514 O GLN A 37 -5.434 4.957 -4.540 1.00 0.00 O ATOM 515 CB GLN A 37 -5.940 8.157 -4.873 1.00 0.00 C ATOM 516 CG GLN A 37 -5.675 9.602 -4.486 1.00 0.00 C ATOM 517 CD GLN A 37 -5.963 10.572 -5.615 1.00 0.00 C ATOM 518 OE1 GLN A 37 -5.917 10.206 -6.790 1.00 0.00 O ATOM 519 NE2 GLN A 37 -6.264 11.817 -5.265 1.00 0.00 N ATOM 0 H GLN A 37 -3.796 6.600 -3.778 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.458 7.504 -2.892 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.243 7.867 -5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.943 8.080 -5.292 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.289 9.862 -3.624 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.634 9.707 -4.179 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.291 12.077 -4.279 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.468 12.513 -5.982 1.00 0.00 H new ATOM 528 N ALA A 38 -7.557 5.533 -4.069 1.00 0.00 N ATOM 529 CA ALA A 38 -8.110 4.242 -4.460 1.00 0.00 C ATOM 530 C ALA A 38 -7.599 3.819 -5.833 1.00 0.00 C ATOM 531 O ALA A 38 -8.039 4.340 -6.857 1.00 0.00 O ATOM 532 CB ALA A 38 -9.630 4.295 -4.453 1.00 0.00 C ATOM 0 H ALA A 38 -8.249 6.207 -3.741 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.780 3.498 -3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.029 3.324 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.981 4.543 -3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.971 5.055 -5.156 1.00 0.00 H new ATOM 538 N GLY A 39 -6.668 2.870 -5.847 1.00 0.00 N ATOM 539 CA GLY A 39 -6.113 2.394 -7.100 1.00 0.00 C ATOM 540 C GLY A 39 -4.606 2.549 -7.163 1.00 0.00 C ATOM 541 O GLY A 39 -3.915 1.728 -7.766 1.00 0.00 O ATOM 0 H GLY A 39 -6.288 2.422 -5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.373 1.344 -7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.566 2.942 -7.926 1.00 0.00 H new ATOM 545 N ASP A 40 -4.095 3.605 -6.540 1.00 0.00 N ATOM 546 CA ASP A 40 -2.660 3.865 -6.527 1.00 0.00 C ATOM 547 C ASP A 40 -1.900 2.692 -5.916 1.00 0.00 C ATOM 548 O ASP A 40 -2.273 2.182 -4.859 1.00 0.00 O ATOM 549 CB ASP A 40 -2.359 5.146 -5.748 1.00 0.00 C ATOM 550 CG ASP A 40 -2.415 6.383 -6.622 1.00 0.00 C ATOM 551 OD1 ASP A 40 -2.151 6.264 -7.837 1.00 0.00 O ATOM 552 OD2 ASP A 40 -2.724 7.471 -6.092 1.00 0.00 O ATOM 0 H ASP A 40 -4.653 4.295 -6.037 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.329 3.990 -7.558 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.075 5.248 -4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.370 5.069 -5.296 1.00 0.00 H new ATOM 557 N ARG A 41 -0.834 2.270 -6.588 1.00 0.00 N ATOM 558 CA ARG A 41 -0.024 1.155 -6.112 1.00 0.00 C ATOM 559 C ARG A 41 0.988 1.625 -5.070 1.00 0.00 C ATOM 560 O ARG A 41 1.792 2.520 -5.331 1.00 0.00 O ATOM 561 CB ARG A 41 0.704 0.490 -7.281 1.00 0.00 C ATOM 562 CG ARG A 41 -0.181 -0.430 -8.106 1.00 0.00 C ATOM 563 CD ARG A 41 -1.123 0.359 -9.001 1.00 0.00 C ATOM 564 NE ARG A 41 -1.668 -0.461 -10.080 1.00 0.00 N ATOM 565 CZ ARG A 41 -1.016 -0.720 -11.208 1.00 0.00 C ATOM 566 NH1 ARG A 41 0.199 -0.225 -11.404 1.00 0.00 N ATOM 567 NH2 ARG A 41 -1.578 -1.475 -12.143 1.00 0.00 N ATOM 0 H ARG A 41 -0.511 2.683 -7.463 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.689 0.428 -5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.114 1.264 -7.930 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.548 -0.082 -6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.441 -1.083 -8.717 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.760 -1.071 -7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.941 0.760 -8.402 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.591 1.210 -9.426 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.601 -0.857 -9.961 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.635 0.356 -10.688 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.698 -0.425 -12.271 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.512 -1.858 -11.996 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.076 -1.673 -13.009 1.00 0.00 H new ATOM 581 N ILE A 42 0.941 1.015 -3.891 1.00 0.00 N ATOM 582 CA ILE A 42 1.853 1.371 -2.811 1.00 0.00 C ATOM 583 C ILE A 42 2.923 0.301 -2.621 1.00 0.00 C ATOM 584 O ILE A 42 2.634 -0.812 -2.181 1.00 0.00 O ATOM 585 CB ILE A 42 1.101 1.571 -1.482 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.079 2.702 -1.613 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.083 1.865 -0.357 1.00 0.00 C ATOM 588 CD1 ILE A 42 -1.131 2.530 -0.722 1.00 0.00 C ATOM 0 H ILE A 42 0.282 0.272 -3.659 1.00 0.00 H new ATOM 0 HA ILE A 42 2.328 2.310 -3.095 1.00 0.00 H new ATOM 0 HB ILE A 42 0.567 0.651 -1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.564 3.648 -1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.250 2.765 -2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.537 2.004 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.775 1.030 -0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.641 2.772 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.812 3.368 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.640 1.600 -0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.814 2.497 0.320 1.00 0.00 H new ATOM 600 N THR A 43 4.163 0.647 -2.954 1.00 0.00 N ATOM 601 CA THR A 43 5.278 -0.283 -2.819 1.00 0.00 C ATOM 602 C THR A 43 5.565 -0.589 -1.354 1.00 0.00 C ATOM 603 O THR A 43 6.247 0.176 -0.672 1.00 0.00 O ATOM 604 CB THR A 43 6.555 0.273 -3.476 1.00 0.00 C ATOM 605 OG1 THR A 43 6.336 0.480 -4.876 1.00 0.00 O ATOM 606 CG2 THR A 43 7.725 -0.679 -3.276 1.00 0.00 C ATOM 0 H THR A 43 4.420 1.564 -3.319 1.00 0.00 H new ATOM 0 HA THR A 43 4.987 -1.202 -3.328 1.00 0.00 H new ATOM 0 HB THR A 43 6.796 1.225 -3.002 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.152 0.835 -5.286 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.616 -0.265 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.908 -0.811 -2.210 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.490 -1.644 -3.726 1.00 0.00 H new ATOM 614 N VAL A 44 5.041 -1.712 -0.875 1.00 0.00 N ATOM 615 CA VAL A 44 5.243 -2.120 0.511 1.00 0.00 C ATOM 616 C VAL A 44 6.712 -2.419 0.787 1.00 0.00 C ATOM 617 O VAL A 44 7.280 -3.360 0.232 1.00 0.00 O ATOM 618 CB VAL A 44 4.404 -3.365 0.857 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.647 -3.789 2.298 1.00 0.00 C ATOM 620 CG2 VAL A 44 2.926 -3.095 0.614 1.00 0.00 C ATOM 0 H VAL A 44 4.473 -2.356 -1.426 1.00 0.00 H new ATOM 0 HA VAL A 44 4.921 -1.288 1.136 1.00 0.00 H new ATOM 0 HB VAL A 44 4.713 -4.183 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.046 -4.670 2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.702 -4.025 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.367 -2.977 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.348 -3.985 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.600 -2.264 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.770 -2.843 -0.435 1.00 0.00 H new ATOM 630 N ILE A 45 7.322 -1.611 1.648 1.00 0.00 N ATOM 631 CA ILE A 45 8.725 -1.790 1.999 1.00 0.00 C ATOM 632 C ILE A 45 8.870 -2.446 3.368 1.00 0.00 C ATOM 633 O ILE A 45 9.738 -3.294 3.572 1.00 0.00 O ATOM 634 CB ILE A 45 9.480 -0.447 2.004 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.633 0.636 2.676 1.00 0.00 C ATOM 636 CG2 ILE A 45 9.842 -0.038 0.584 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.345 1.964 2.809 1.00 0.00 C ATOM 0 H ILE A 45 6.867 -0.827 2.115 1.00 0.00 H new ATOM 0 HA ILE A 45 9.160 -2.440 1.239 1.00 0.00 H new ATOM 0 HB ILE A 45 10.402 -0.567 2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.718 0.779 2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.336 0.291 3.667 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.375 0.913 0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.478 -0.801 0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.932 0.068 -0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.685 2.684 3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.246 1.835 3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.618 2.331 1.820 1.00 0.00 H new ATOM 649 N SER A 46 8.012 -2.049 4.303 1.00 0.00 N ATOM 650 CA SER A 46 8.045 -2.598 5.653 1.00 0.00 C ATOM 651 C SER A 46 6.632 -2.820 6.184 1.00 0.00 C ATOM 652 O SER A 46 5.938 -1.873 6.551 1.00 0.00 O ATOM 653 CB SER A 46 8.812 -1.660 6.588 1.00 0.00 C ATOM 654 OG SER A 46 9.224 -2.336 7.763 1.00 0.00 O ATOM 0 H SER A 46 7.286 -1.349 4.150 1.00 0.00 H new ATOM 0 HA SER A 46 8.555 -3.560 5.616 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.684 -1.259 6.071 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.181 -0.812 6.855 1.00 0.00 H new ATOM 0 HG SER A 46 9.713 -1.716 8.343 1.00 0.00 H new ATOM 660 N LYS A 47 6.213 -4.081 6.221 1.00 0.00 N ATOM 661 CA LYS A 47 4.884 -4.431 6.708 1.00 0.00 C ATOM 662 C LYS A 47 4.957 -5.579 7.710 1.00 0.00 C ATOM 663 O LYS A 47 5.984 -6.248 7.831 1.00 0.00 O ATOM 664 CB LYS A 47 3.976 -4.818 5.538 1.00 0.00 C ATOM 665 CG LYS A 47 4.471 -6.022 4.756 1.00 0.00 C ATOM 666 CD LYS A 47 3.918 -7.320 5.322 1.00 0.00 C ATOM 667 CE LYS A 47 2.493 -7.570 4.854 1.00 0.00 C ATOM 668 NZ LYS A 47 2.455 -8.197 3.503 1.00 0.00 N ATOM 0 H LYS A 47 6.775 -4.877 5.920 1.00 0.00 H new ATOM 0 HA LYS A 47 4.467 -3.559 7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.977 -5.029 5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.887 -3.968 4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.176 -5.925 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.560 -6.049 4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.553 -8.151 5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.943 -7.283 6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.984 -8.216 5.569 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.947 -6.627 4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.526 -8.640 3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.613 -7.469 2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.199 -8.920 3.435 1.00 0.00 H new ATOM 682 N THR A 48 3.860 -5.804 8.426 1.00 0.00 N ATOM 683 CA THR A 48 3.799 -6.870 9.417 1.00 0.00 C ATOM 684 C THR A 48 2.758 -7.917 9.035 1.00 0.00 C ATOM 685 O THR A 48 2.022 -7.748 8.064 1.00 0.00 O ATOM 686 CB THR A 48 3.467 -6.319 10.817 1.00 0.00 C ATOM 687 OG1 THR A 48 2.146 -5.765 10.824 1.00 0.00 O ATOM 688 CG2 THR A 48 4.471 -5.255 11.232 1.00 0.00 C ATOM 0 H THR A 48 3.001 -5.261 8.338 1.00 0.00 H new ATOM 0 HA THR A 48 4.785 -7.334 9.442 1.00 0.00 H new ATOM 0 HB THR A 48 3.519 -7.142 11.530 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.941 -5.418 11.717 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.216 -4.881 12.224 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.471 -5.687 11.254 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.446 -4.433 10.517 1.00 0.00 H new ATOM 696 N ASP A 49 2.703 -8.998 9.806 1.00 0.00 N ATOM 697 CA ASP A 49 1.751 -10.072 9.549 1.00 0.00 C ATOM 698 C ASP A 49 0.387 -9.744 10.150 1.00 0.00 C ATOM 699 O ASP A 49 -0.245 -10.592 10.780 1.00 0.00 O ATOM 700 CB ASP A 49 2.270 -11.391 10.122 1.00 0.00 C ATOM 701 CG ASP A 49 3.336 -12.022 9.248 1.00 0.00 C ATOM 702 OD1 ASP A 49 4.378 -11.372 9.020 1.00 0.00 O ATOM 703 OD2 ASP A 49 3.129 -13.166 8.792 1.00 0.00 O ATOM 0 H ASP A 49 3.306 -9.153 10.614 1.00 0.00 H new ATOM 0 HA ASP A 49 1.638 -10.173 8.470 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.677 -11.216 11.118 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.439 -12.087 10.236 1.00 0.00 H new ATOM 708 N SER A 50 -0.060 -8.508 9.951 1.00 0.00 N ATOM 709 CA SER A 50 -1.346 -8.067 10.478 1.00 0.00 C ATOM 710 C SER A 50 -2.044 -7.132 9.494 1.00 0.00 C ATOM 711 O SER A 50 -1.550 -6.043 9.198 1.00 0.00 O ATOM 712 CB SER A 50 -1.156 -7.361 11.822 1.00 0.00 C ATOM 713 OG SER A 50 -0.798 -8.284 12.836 1.00 0.00 O ATOM 0 H SER A 50 0.449 -7.795 9.429 1.00 0.00 H new ATOM 0 HA SER A 50 -1.972 -8.947 10.624 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.382 -6.599 11.730 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.077 -6.849 12.101 1.00 0.00 H new ATOM 0 HG SER A 50 -0.681 -7.808 13.685 1.00 0.00 H new ATOM 719 N HIS A 51 -3.195 -7.566 8.991 1.00 0.00 N ATOM 720 CA HIS A 51 -3.962 -6.769 8.040 1.00 0.00 C ATOM 721 C HIS A 51 -4.462 -5.482 8.690 1.00 0.00 C ATOM 722 O HIS A 51 -4.480 -4.423 8.061 1.00 0.00 O ATOM 723 CB HIS A 51 -5.145 -7.575 7.503 1.00 0.00 C ATOM 724 CG HIS A 51 -6.293 -7.665 8.460 1.00 0.00 C ATOM 725 ND1 HIS A 51 -6.281 -8.475 9.576 1.00 0.00 N ATOM 726 CD2 HIS A 51 -7.493 -7.038 8.465 1.00 0.00 C ATOM 727 CE1 HIS A 51 -7.425 -8.345 10.224 1.00 0.00 C ATOM 728 NE2 HIS A 51 -8.178 -7.478 9.571 1.00 0.00 N ATOM 0 H HIS A 51 -3.617 -8.464 9.226 1.00 0.00 H new ATOM 0 HA HIS A 51 -3.305 -6.506 7.211 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.492 -7.121 6.575 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.807 -8.582 7.259 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.846 -6.325 7.735 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.698 -8.860 11.133 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.116 -7.183 9.844 1.00 0.00 H new ATOM 737 N PHE A 52 -4.868 -5.580 9.951 1.00 0.00 N ATOM 738 CA PHE A 52 -5.370 -4.424 10.685 1.00 0.00 C ATOM 739 C PHE A 52 -4.251 -3.423 10.955 1.00 0.00 C ATOM 740 O PHE A 52 -4.433 -2.215 10.800 1.00 0.00 O ATOM 741 CB PHE A 52 -6.002 -4.868 12.006 1.00 0.00 C ATOM 742 CG PHE A 52 -7.036 -3.911 12.528 1.00 0.00 C ATOM 743 CD1 PHE A 52 -6.699 -2.599 12.819 1.00 0.00 C ATOM 744 CD2 PHE A 52 -8.344 -4.323 12.725 1.00 0.00 C ATOM 745 CE1 PHE A 52 -7.648 -1.716 13.300 1.00 0.00 C ATOM 746 CE2 PHE A 52 -9.297 -3.444 13.205 1.00 0.00 C ATOM 747 CZ PHE A 52 -8.949 -2.139 13.492 1.00 0.00 C ATOM 0 H PHE A 52 -4.859 -6.448 10.486 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.129 -3.937 10.072 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.461 -5.847 11.869 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.217 -4.986 12.753 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.684 -2.262 12.668 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.622 -5.342 12.501 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.372 -0.696 13.525 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.313 -3.778 13.355 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.692 -1.450 13.866 1.00 0.00 H new ATOM 757 N ASP A 53 -3.093 -3.934 11.360 1.00 0.00 N ATOM 758 CA ASP A 53 -1.944 -3.086 11.651 1.00 0.00 C ATOM 759 C ASP A 53 -1.595 -2.212 10.450 1.00 0.00 C ATOM 760 O ASP A 53 -2.008 -2.492 9.325 1.00 0.00 O ATOM 761 CB ASP A 53 -0.738 -3.942 12.042 1.00 0.00 C ATOM 762 CG ASP A 53 -0.961 -4.699 13.336 1.00 0.00 C ATOM 763 OD1 ASP A 53 -2.134 -4.881 13.723 1.00 0.00 O ATOM 764 OD2 ASP A 53 0.038 -5.111 13.961 1.00 0.00 O ATOM 0 H ASP A 53 -2.926 -4.931 11.494 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.205 -2.436 12.486 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.524 -4.651 11.242 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.139 -3.303 12.145 1.00 0.00 H new ATOM 769 N TRP A 54 -0.833 -1.152 10.698 1.00 0.00 N ATOM 770 CA TRP A 54 -0.430 -0.236 9.637 1.00 0.00 C ATOM 771 C TRP A 54 0.921 -0.638 9.056 1.00 0.00 C ATOM 772 O TRP A 54 1.829 -1.032 9.788 1.00 0.00 O ATOM 773 CB TRP A 54 -0.366 1.196 10.168 1.00 0.00 C ATOM 774 CG TRP A 54 -1.712 1.842 10.301 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.855 1.263 10.775 1.00 0.00 C ATOM 776 CD2 TRP A 54 -2.055 3.188 9.954 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.888 2.169 10.743 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.423 3.357 10.244 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.339 4.266 9.428 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -4.087 4.561 10.024 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -2.000 5.461 9.210 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.362 5.601 9.508 1.00 0.00 C ATOM 0 H TRP A 54 -0.482 -0.906 11.624 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.175 -0.288 8.843 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.125 1.193 11.141 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.252 1.796 9.500 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.935 0.244 11.123 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.846 1.986 11.042 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.289 4.168 9.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.137 4.670 10.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.457 6.301 8.803 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.849 6.548 9.327 1.00 0.00 H new ATOM 793 N TRP A 55 1.048 -0.534 7.738 1.00 0.00 N ATOM 794 CA TRP A 55 2.290 -0.886 7.060 1.00 0.00 C ATOM 795 C TRP A 55 2.960 0.352 6.473 1.00 0.00 C ATOM 796 O TRP A 55 2.376 1.435 6.457 1.00 0.00 O ATOM 797 CB TRP A 55 2.020 -1.907 5.953 1.00 0.00 C ATOM 798 CG TRP A 55 1.430 -3.189 6.459 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.428 -3.637 7.750 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.758 -4.188 5.685 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.796 -4.855 7.823 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.375 -5.214 6.570 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.442 -4.315 4.329 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.307 -6.350 6.142 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.235 -5.443 3.906 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.604 -6.448 4.810 1.00 0.00 C ATOM 0 H TRP A 55 0.306 -0.209 7.118 1.00 0.00 H new ATOM 0 HA TRP A 55 2.963 -1.327 7.795 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.343 -1.468 5.221 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.953 -2.125 5.434 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.859 -3.111 8.589 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.662 -5.403 8.673 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.722 -3.545 3.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.591 -7.126 6.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.484 -5.552 2.861 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.133 -7.317 4.448 1.00 0.00 H new ATOM 817 N GLU A 56 4.188 0.183 5.992 1.00 0.00 N ATOM 818 CA GLU A 56 4.936 1.289 5.405 1.00 0.00 C ATOM 819 C GLU A 56 5.309 0.985 3.957 1.00 0.00 C ATOM 820 O GLU A 56 6.076 0.064 3.682 1.00 0.00 O ATOM 821 CB GLU A 56 6.200 1.568 6.221 1.00 0.00 C ATOM 822 CG GLU A 56 6.893 2.867 5.843 1.00 0.00 C ATOM 823 CD GLU A 56 8.082 3.173 6.733 1.00 0.00 C ATOM 824 OE1 GLU A 56 8.965 2.301 6.865 1.00 0.00 O ATOM 825 OE2 GLU A 56 8.129 4.287 7.296 1.00 0.00 O ATOM 0 H GLU A 56 4.685 -0.708 5.997 1.00 0.00 H new ATOM 0 HA GLU A 56 4.300 2.174 5.420 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.940 1.599 7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.898 0.741 6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.225 2.809 4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.178 3.687 5.903 1.00 0.00 H new ATOM 832 N GLY A 57 4.759 1.768 3.034 1.00 0.00 N ATOM 833 CA GLY A 57 5.044 1.567 1.625 1.00 0.00 C ATOM 834 C GLY A 57 5.550 2.827 0.950 1.00 0.00 C ATOM 835 O GLY A 57 5.752 3.851 1.603 1.00 0.00 O ATOM 0 H GLY A 57 4.121 2.538 3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.787 0.777 1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.140 1.226 1.120 1.00 0.00 H new ATOM 839 N LYS A 58 5.756 2.753 -0.360 1.00 0.00 N ATOM 840 CA LYS A 58 6.241 3.895 -1.125 1.00 0.00 C ATOM 841 C LYS A 58 5.334 4.176 -2.318 1.00 0.00 C ATOM 842 O LYS A 58 4.891 3.255 -3.006 1.00 0.00 O ATOM 843 CB LYS A 58 7.671 3.642 -1.607 1.00 0.00 C ATOM 844 CG LYS A 58 8.732 4.017 -0.586 1.00 0.00 C ATOM 845 CD LYS A 58 9.995 3.191 -0.765 1.00 0.00 C ATOM 846 CE LYS A 58 10.969 3.863 -1.720 1.00 0.00 C ATOM 847 NZ LYS A 58 11.830 4.859 -1.024 1.00 0.00 N ATOM 0 H LYS A 58 5.594 1.913 -0.915 1.00 0.00 H new ATOM 0 HA LYS A 58 6.233 4.767 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.779 2.587 -1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.843 4.209 -2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.972 5.076 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.339 3.869 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.475 3.044 0.202 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.734 2.203 -1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.597 3.106 -2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.414 4.357 -2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.480 5.295 -1.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.233 5.595 -0.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.379 4.383 -0.280 1.00 0.00 H new ATOM 861 N LEU A 59 5.061 5.454 -2.561 1.00 0.00 N ATOM 862 CA LEU A 59 4.207 5.856 -3.673 1.00 0.00 C ATOM 863 C LEU A 59 4.775 7.083 -4.380 1.00 0.00 C ATOM 864 O LEU A 59 5.082 8.091 -3.743 1.00 0.00 O ATOM 865 CB LEU A 59 2.791 6.151 -3.174 1.00 0.00 C ATOM 866 CG LEU A 59 1.852 6.819 -4.179 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.546 5.877 -5.332 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.567 7.262 -3.494 1.00 0.00 C ATOM 0 H LEU A 59 5.419 6.229 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 59 4.170 5.033 -4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.338 5.214 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.863 6.790 -2.294 1.00 0.00 H new ATOM 0 HG LEU A 59 2.349 7.702 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.876 6.370 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.473 5.609 -5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.069 4.975 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.090 7.735 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.066 6.395 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.803 7.974 -2.703 1.00 0.00 H new ATOM 880 N ARG A 60 4.911 6.990 -5.698 1.00 0.00 N ATOM 881 CA ARG A 60 5.441 8.092 -6.492 1.00 0.00 C ATOM 882 C ARG A 60 6.705 8.662 -5.854 1.00 0.00 C ATOM 883 O ARG A 60 6.955 9.865 -5.916 1.00 0.00 O ATOM 884 CB ARG A 60 4.390 9.194 -6.639 1.00 0.00 C ATOM 885 CG ARG A 60 3.381 8.928 -7.745 1.00 0.00 C ATOM 886 CD ARG A 60 2.041 9.581 -7.444 1.00 0.00 C ATOM 887 NE ARG A 60 2.013 10.985 -7.843 1.00 0.00 N ATOM 888 CZ ARG A 60 1.089 11.848 -7.435 1.00 0.00 C ATOM 889 NH1 ARG A 60 0.123 11.451 -6.619 1.00 0.00 N ATOM 890 NH2 ARG A 60 1.132 13.110 -7.842 1.00 0.00 N ATOM 0 H ARG A 60 4.661 6.162 -6.239 1.00 0.00 H new ATOM 0 HA ARG A 60 5.694 7.707 -7.480 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.859 9.307 -5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.893 10.140 -6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.768 9.307 -8.691 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.245 7.853 -7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.250 9.041 -7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.832 9.503 -6.377 1.00 0.00 H new ATOM 0 HE ARG A 60 2.744 11.322 -8.470 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.088 10.482 -6.303 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.586 12.115 -6.307 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.875 13.419 -8.469 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.422 13.772 -7.528 1.00 0.00 H new ATOM 904 N GLY A 61 7.497 7.789 -5.239 1.00 0.00 N ATOM 905 CA GLY A 61 8.725 8.224 -4.598 1.00 0.00 C ATOM 906 C GLY A 61 8.531 8.540 -3.129 1.00 0.00 C ATOM 907 O GLY A 61 9.459 8.408 -2.332 1.00 0.00 O ATOM 0 H GLY A 61 7.310 6.788 -5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.481 7.446 -4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.105 9.108 -5.110 1.00 0.00 H new ATOM 911 N GLN A 62 7.321 8.958 -2.769 1.00 0.00 N ATOM 912 CA GLN A 62 7.010 9.295 -1.385 1.00 0.00 C ATOM 913 C GLN A 62 7.039 8.052 -0.502 1.00 0.00 C ATOM 914 O GLN A 62 6.990 6.925 -0.996 1.00 0.00 O ATOM 915 CB GLN A 62 5.638 9.966 -1.297 1.00 0.00 C ATOM 916 CG GLN A 62 5.631 11.404 -1.791 1.00 0.00 C ATOM 917 CD GLN A 62 4.517 12.227 -1.174 1.00 0.00 C ATOM 918 OE1 GLN A 62 3.631 11.692 -0.506 1.00 0.00 O ATOM 919 NE2 GLN A 62 4.556 13.535 -1.395 1.00 0.00 N ATOM 0 H GLN A 62 6.541 9.071 -3.416 1.00 0.00 H new ATOM 0 HA GLN A 62 7.770 9.990 -1.027 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.922 9.387 -1.880 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.298 9.945 -0.262 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.590 11.868 -1.561 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.525 11.411 -2.876 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.309 13.935 -1.955 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.833 14.140 -1.005 1.00 0.00 H new ATOM 928 N THR A 63 7.121 8.264 0.808 1.00 0.00 N ATOM 929 CA THR A 63 7.158 7.161 1.760 1.00 0.00 C ATOM 930 C THR A 63 6.393 7.507 3.032 1.00 0.00 C ATOM 931 O THR A 63 6.399 8.653 3.480 1.00 0.00 O ATOM 932 CB THR A 63 8.606 6.788 2.130 1.00 0.00 C ATOM 933 OG1 THR A 63 9.401 6.675 0.945 1.00 0.00 O ATOM 934 CG2 THR A 63 8.646 5.477 2.902 1.00 0.00 C ATOM 0 H THR A 63 7.163 9.190 1.234 1.00 0.00 H new ATOM 0 HA THR A 63 6.683 6.308 1.275 1.00 0.00 H new ATOM 0 HB THR A 63 9.011 7.577 2.764 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.320 6.439 1.189 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.679 5.234 3.153 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.064 5.576 3.818 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.224 4.681 2.289 1.00 0.00 H new ATOM 942 N GLY A 64 5.734 6.508 3.611 1.00 0.00 N ATOM 943 CA GLY A 64 4.973 6.727 4.827 1.00 0.00 C ATOM 944 C GLY A 64 4.201 5.496 5.258 1.00 0.00 C ATOM 945 O GLY A 64 4.267 4.454 4.605 1.00 0.00 O ATOM 0 H GLY A 64 5.714 5.551 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.650 7.026 5.627 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.278 7.552 4.673 1.00 0.00 H new ATOM 949 N ILE A 65 3.469 5.614 6.361 1.00 0.00 N ATOM 950 CA ILE A 65 2.682 4.501 6.878 1.00 0.00 C ATOM 951 C ILE A 65 1.224 4.611 6.444 1.00 0.00 C ATOM 952 O ILE A 65 0.744 5.695 6.113 1.00 0.00 O ATOM 953 CB ILE A 65 2.746 4.433 8.415 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.280 5.757 9.025 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.158 4.101 8.873 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.682 5.608 10.407 1.00 0.00 C ATOM 0 H ILE A 65 3.405 6.469 6.914 1.00 0.00 H new ATOM 0 HA ILE A 65 3.113 3.589 6.465 1.00 0.00 H new ATOM 0 HB ILE A 65 2.079 3.642 8.757 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.126 6.442 9.076 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.541 6.212 8.365 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.186 4.057 9.962 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.456 3.136 8.463 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.845 4.872 8.523 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.374 6.586 10.777 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.816 4.948 10.359 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.425 5.182 11.081 1.00 0.00 H new ATOM 968 N PHE A 66 0.524 3.481 6.451 1.00 0.00 N ATOM 969 CA PHE A 66 -0.880 3.449 6.060 1.00 0.00 C ATOM 970 C PHE A 66 -1.530 2.133 6.474 1.00 0.00 C ATOM 971 O PHE A 66 -0.875 1.097 6.588 1.00 0.00 O ATOM 972 CB PHE A 66 -1.014 3.645 4.548 1.00 0.00 C ATOM 973 CG PHE A 66 -0.464 2.501 3.745 1.00 0.00 C ATOM 974 CD1 PHE A 66 -1.240 1.383 3.485 1.00 0.00 C ATOM 975 CD2 PHE A 66 0.829 2.544 3.249 1.00 0.00 C ATOM 976 CE1 PHE A 66 -0.737 0.329 2.746 1.00 0.00 C ATOM 977 CE2 PHE A 66 1.338 1.494 2.509 1.00 0.00 C ATOM 978 CZ PHE A 66 0.554 0.384 2.258 1.00 0.00 C ATOM 0 H PHE A 66 0.907 2.576 6.723 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.393 4.263 6.572 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.066 3.781 4.299 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.498 4.561 4.261 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.250 1.335 3.864 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.446 3.409 3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.353 -0.537 2.550 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.347 1.541 2.127 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.950 -0.439 1.681 1.00 0.00 H new ATOM 988 N PRO A 67 -2.851 2.173 6.704 1.00 0.00 N ATOM 989 CA PRO A 67 -3.620 0.992 7.109 1.00 0.00 C ATOM 990 C PRO A 67 -3.748 -0.030 5.985 1.00 0.00 C ATOM 991 O PRO A 67 -4.267 0.276 4.911 1.00 0.00 O ATOM 992 CB PRO A 67 -4.992 1.568 7.467 1.00 0.00 C ATOM 993 CG PRO A 67 -5.093 2.826 6.675 1.00 0.00 C ATOM 994 CD PRO A 67 -3.696 3.373 6.587 1.00 0.00 C ATOM 0 HA PRO A 67 -3.141 0.455 7.928 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.792 0.874 7.211 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.072 1.766 8.536 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.499 2.631 5.682 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.761 3.539 7.158 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.527 3.893 5.644 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.493 4.087 7.385 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.273 -1.245 6.238 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.337 -2.312 5.248 1.00 0.00 C ATOM 1004 C ALA A 68 -4.771 -2.551 4.790 1.00 0.00 C ATOM 1005 O ALA A 68 -5.008 -3.010 3.673 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.741 -3.593 5.814 1.00 0.00 C ATOM 0 H ALA A 68 -2.839 -1.515 7.121 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.753 -2.005 4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.795 -4.382 5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.699 -3.421 6.085 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.301 -3.895 6.699 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.726 -2.236 5.660 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.138 -2.418 5.344 1.00 0.00 C ATOM 1014 C ASN A 69 -7.542 -1.562 4.148 1.00 0.00 C ATOM 1015 O ASN A 69 -8.613 -1.750 3.571 1.00 0.00 O ATOM 1016 CB ASN A 69 -8.002 -2.063 6.556 1.00 0.00 C ATOM 1017 CG ASN A 69 -7.670 -2.908 7.770 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -6.894 -3.860 7.685 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -8.258 -2.562 8.910 1.00 0.00 N ATOM 0 H ASN A 69 -5.547 -1.854 6.589 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.296 -3.466 5.088 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.864 -1.010 6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.053 -2.196 6.301 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.073 -3.093 9.761 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.894 -1.765 8.934 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.679 -0.621 3.782 1.00 0.00 N ATOM 1027 CA TYR A 70 -6.946 0.266 2.656 1.00 0.00 C ATOM 1028 C TYR A 70 -6.255 -0.235 1.392 1.00 0.00 C ATOM 1029 O TYR A 70 -6.164 0.481 0.394 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.479 1.687 2.977 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.497 2.499 3.745 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -8.015 2.042 4.950 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -7.940 3.726 3.265 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -8.945 2.781 5.655 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.869 4.473 3.964 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.369 3.996 5.158 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.295 4.735 5.857 1.00 0.00 O ATOM 0 H TYR A 70 -5.788 -0.453 4.249 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.022 0.275 2.481 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.556 1.635 3.555 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.243 2.202 2.046 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.685 1.092 5.343 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.552 4.102 2.330 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.338 2.410 6.590 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.202 5.425 3.578 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.485 5.565 5.371 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.770 -1.472 1.441 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.088 -2.071 0.300 1.00 0.00 C ATOM 1049 C VAL A 71 -5.372 -3.567 0.213 1.00 0.00 C ATOM 1050 O VAL A 71 -6.057 -4.131 1.068 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.565 -1.853 0.378 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.246 -0.377 0.562 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -2.966 -2.682 1.504 1.00 0.00 C ATOM 0 H VAL A 71 -5.837 -2.078 2.258 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.473 -1.578 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.119 -2.182 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.166 -0.242 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.641 0.189 -0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.702 -0.018 1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.889 -2.516 1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.415 -2.386 2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.164 -3.739 1.323 1.00 0.00 H new ATOM 1063 N THR A 72 -4.842 -4.206 -0.825 1.00 0.00 N ATOM 1064 CA THR A 72 -5.038 -5.636 -1.024 1.00 0.00 C ATOM 1065 C THR A 72 -3.804 -6.279 -1.645 1.00 0.00 C ATOM 1066 O THR A 72 -3.162 -5.697 -2.518 1.00 0.00 O ATOM 1067 CB THR A 72 -6.257 -5.915 -1.924 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.545 -7.318 -1.936 1.00 0.00 O ATOM 1069 CG2 THR A 72 -6.003 -5.432 -3.344 1.00 0.00 C ATOM 0 H THR A 72 -4.273 -3.755 -1.541 1.00 0.00 H new ATOM 0 HA THR A 72 -5.214 -6.071 -0.040 1.00 0.00 H new ATOM 0 HB THR A 72 -7.112 -5.372 -1.520 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.322 -7.488 -2.509 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.877 -5.640 -3.961 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.812 -4.359 -3.335 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.137 -5.951 -3.755 1.00 0.00 H new