USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 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 72 MET CE :methyl 163:sc= -0.0245 (180deg=-0.576) USER MOD Set 1.2: A 89 MET CE :methyl 152:sc=-0.00143 (180deg=-0.00907) USER MOD Single : A 15 SER OG : rot 31:sc= 0.0886 USER MOD Single : A 17 LYS NZ :NH3+ -168:sc= -0.0103 (180deg=-0.184) USER MOD Single : A 20 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.31) USER MOD Single : A 22 THR OG1 : rot -40:sc= 0.765 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -150:sc=-0.00404 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 121:sc= 0.315 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -158:sc= 0.075 USER MOD Single : A 44 TYR OH : rot 69:sc= 1.12 USER MOD Single : A 63 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-7.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -169:sc= -0.727 (180deg=-1.32) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.689 6.864 5.162 1.00 0.00 N ATOM 204 CA SER A 15 10.444 6.818 4.413 1.00 0.00 C ATOM 205 C SER A 15 10.128 5.386 4.018 1.00 0.00 C ATOM 206 O SER A 15 11.016 4.615 3.653 1.00 0.00 O ATOM 207 CB SER A 15 10.557 7.694 3.169 1.00 0.00 C ATOM 208 OG SER A 15 10.806 9.033 3.543 1.00 0.00 O ATOM 0 HA SER A 15 9.636 7.195 5.040 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.362 7.330 2.530 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.637 7.635 2.588 1.00 0.00 H new ATOM 0 HG SER A 15 11.323 9.049 4.375 1.00 0.00 H new ATOM 214 N LEU A 16 8.845 5.049 4.095 1.00 0.00 N ATOM 215 CA LEU A 16 8.358 3.742 3.671 1.00 0.00 C ATOM 216 C LEU A 16 7.759 3.897 2.280 1.00 0.00 C ATOM 217 O LEU A 16 7.419 5.016 1.909 1.00 0.00 O ATOM 218 CB LEU A 16 7.291 3.251 4.652 1.00 0.00 C ATOM 219 CG LEU A 16 6.870 1.799 4.411 1.00 0.00 C ATOM 220 CD1 LEU A 16 8.041 0.853 4.667 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.708 1.450 5.338 1.00 0.00 C ATOM 0 H LEU A 16 8.118 5.670 4.451 1.00 0.00 H new ATOM 0 HA LEU A 16 9.170 3.015 3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.670 3.348 5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.414 3.894 4.576 1.00 0.00 H new ATOM 0 HG LEU A 16 6.557 1.687 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.724 -0.175 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.862 1.100 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.374 0.958 5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.406 0.417 5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.021 1.572 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.867 2.112 5.133 1.00 0.00 H new ATOM 233 N LYS A 17 7.637 2.783 1.552 1.00 0.00 N ATOM 234 CA LYS A 17 7.013 2.658 0.242 1.00 0.00 C ATOM 235 C LYS A 17 6.250 1.337 0.230 1.00 0.00 C ATOM 236 O LYS A 17 6.757 0.312 0.679 1.00 0.00 O ATOM 237 CB LYS A 17 8.090 2.718 -0.848 1.00 0.00 C ATOM 238 CG LYS A 17 7.761 1.999 -2.159 1.00 0.00 C ATOM 239 CD LYS A 17 6.599 2.640 -2.911 1.00 0.00 C ATOM 240 CE LYS A 17 6.236 1.806 -4.133 1.00 0.00 C ATOM 241 NZ LYS A 17 7.349 1.741 -5.102 1.00 0.00 N ATOM 0 H LYS A 17 7.996 1.890 1.889 1.00 0.00 H new ATOM 0 HA LYS A 17 6.318 3.474 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.293 3.765 -1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.010 2.294 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.644 1.997 -2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.519 0.958 -1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.735 2.728 -2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.869 3.650 -3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.968 0.797 -3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.357 2.233 -4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.005 1.344 -6.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.722 2.698 -5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.104 1.135 -4.723 1.00 0.00 H new ATOM 255 N VAL A 18 5.023 1.358 -0.289 1.00 0.00 N ATOM 256 CA VAL A 18 4.211 0.154 -0.413 1.00 0.00 C ATOM 257 C VAL A 18 3.698 0.020 -1.831 1.00 0.00 C ATOM 258 O VAL A 18 3.329 1.034 -2.430 1.00 0.00 O ATOM 259 CB VAL A 18 3.033 0.255 0.542 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.899 -0.685 0.127 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.522 -0.076 1.945 1.00 0.00 C ATOM 0 H VAL A 18 4.569 2.204 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 18 4.816 -0.720 -0.170 1.00 0.00 H new ATOM 0 HB VAL A 18 2.632 1.268 0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.071 -0.589 0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.557 -0.423 -0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.260 -1.714 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.690 -0.009 2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.928 -1.087 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.299 0.631 2.236 1.00 0.00 H new ATOM 271 N ASP A 19 3.693 -1.234 -2.308 1.00 0.00 N ATOM 272 CA ASP A 19 3.462 -1.667 -3.687 1.00 0.00 C ATOM 273 C ASP A 19 2.615 -2.954 -3.740 1.00 0.00 C ATOM 274 O ASP A 19 2.377 -3.589 -2.713 1.00 0.00 O ATOM 275 CB ASP A 19 4.846 -1.840 -4.337 1.00 0.00 C ATOM 276 CG ASP A 19 4.997 -3.066 -5.241 1.00 0.00 C ATOM 277 OD1 ASP A 19 4.529 -3.006 -6.399 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.582 -4.062 -4.772 1.00 0.00 O ATOM 0 H ASP A 19 3.863 -2.028 -1.691 1.00 0.00 H new ATOM 0 HA ASP A 19 2.884 -0.926 -4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.068 -0.948 -4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.595 -1.897 -3.547 1.00 0.00 H new ATOM 283 N ASN A 20 2.165 -3.317 -4.948 1.00 0.00 N ATOM 284 CA ASN A 20 1.309 -4.459 -5.273 1.00 0.00 C ATOM 285 C ASN A 20 -0.164 -4.130 -5.029 1.00 0.00 C ATOM 286 O ASN A 20 -0.582 -3.972 -3.887 1.00 0.00 O ATOM 287 CB ASN A 20 1.722 -5.721 -4.514 1.00 0.00 C ATOM 288 CG ASN A 20 1.270 -6.980 -5.245 1.00 0.00 C ATOM 289 OD1 ASN A 20 1.536 -7.146 -6.432 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.583 -7.882 -4.552 1.00 0.00 N ATOM 0 H ASN A 20 2.408 -2.781 -5.781 1.00 0.00 H new ATOM 0 HA ASN A 20 1.440 -4.665 -6.335 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.805 -5.737 -4.393 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.290 -5.704 -3.513 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.263 -8.738 -5.005 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.376 -7.719 -3.567 1.00 0.00 H new ATOM 297 N LEU A 21 -0.943 -4.031 -6.110 1.00 0.00 N ATOM 298 CA LEU A 21 -2.372 -3.739 -6.063 1.00 0.00 C ATOM 299 C LEU A 21 -3.127 -4.662 -7.012 1.00 0.00 C ATOM 300 O LEU A 21 -2.521 -5.448 -7.735 1.00 0.00 O ATOM 301 CB LEU A 21 -2.630 -2.294 -6.512 1.00 0.00 C ATOM 302 CG LEU A 21 -1.746 -1.262 -5.823 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.073 0.098 -6.433 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.980 -1.211 -4.316 1.00 0.00 C ATOM 0 H LEU A 21 -0.588 -4.154 -7.058 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.714 -3.886 -5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.477 -2.227 -7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.675 -2.047 -6.322 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.701 -1.535 -5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.457 0.865 -5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.870 0.075 -7.504 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.126 0.327 -6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.326 -0.460 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.020 -0.950 -4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.761 -2.186 -3.881 1.00 0.00 H new ATOM 316 N THR A 22 -4.458 -4.558 -7.007 1.00 0.00 N ATOM 317 CA THR A 22 -5.323 -5.324 -7.900 1.00 0.00 C ATOM 318 C THR A 22 -6.241 -4.413 -8.700 1.00 0.00 C ATOM 319 O THR A 22 -7.239 -4.891 -9.225 1.00 0.00 O ATOM 320 CB THR A 22 -6.126 -6.357 -7.099 1.00 0.00 C ATOM 321 OG1 THR A 22 -6.808 -7.234 -7.970 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.130 -5.703 -6.145 1.00 0.00 C ATOM 0 H THR A 22 -4.966 -3.936 -6.379 1.00 0.00 H new ATOM 0 HA THR A 22 -4.694 -5.854 -8.615 1.00 0.00 H new ATOM 0 HB THR A 22 -5.409 -6.915 -6.497 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.170 -6.727 -8.727 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.673 -6.477 -5.602 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.598 -5.068 -5.437 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.835 -5.099 -6.717 1.00 0.00 H new ATOM 329 N TYR A 23 -5.906 -3.117 -8.790 1.00 0.00 N ATOM 330 CA TYR A 23 -6.650 -2.088 -9.528 1.00 0.00 C ATOM 331 C TYR A 23 -7.820 -1.523 -8.727 1.00 0.00 C ATOM 332 O TYR A 23 -8.460 -0.557 -9.141 1.00 0.00 O ATOM 333 CB TYR A 23 -7.080 -2.597 -10.909 1.00 0.00 C ATOM 334 CG TYR A 23 -8.564 -2.512 -11.209 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.475 -3.363 -10.563 1.00 0.00 C ATOM 336 CD2 TYR A 23 -9.018 -1.575 -12.145 1.00 0.00 C ATOM 337 CE1 TYR A 23 -10.843 -3.282 -10.859 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.386 -1.488 -12.444 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.304 -2.345 -11.804 1.00 0.00 C ATOM 340 OH TYR A 23 -12.633 -2.269 -12.100 1.00 0.00 O ATOM 0 H TYR A 23 -5.075 -2.743 -8.331 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.968 -1.253 -9.688 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.542 -2.030 -11.669 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.768 -3.637 -11.006 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.122 -4.081 -9.837 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.315 -0.919 -12.637 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.543 -3.938 -10.363 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.736 -0.764 -13.165 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.779 -1.569 -12.770 1.00 0.00 H new ATOM 350 N ARG A 24 -8.099 -2.132 -7.576 1.00 0.00 N ATOM 351 CA ARG A 24 -9.211 -1.750 -6.712 1.00 0.00 C ATOM 352 C ARG A 24 -8.775 -1.641 -5.249 1.00 0.00 C ATOM 353 O ARG A 24 -9.602 -1.393 -4.374 1.00 0.00 O ATOM 354 CB ARG A 24 -10.319 -2.778 -6.941 1.00 0.00 C ATOM 355 CG ARG A 24 -11.614 -2.472 -6.188 1.00 0.00 C ATOM 356 CD ARG A 24 -12.715 -3.418 -6.660 1.00 0.00 C ATOM 357 NE ARG A 24 -13.973 -3.187 -5.942 1.00 0.00 N ATOM 358 CZ ARG A 24 -14.884 -2.274 -6.291 1.00 0.00 C ATOM 359 NH1 ARG A 24 -14.697 -1.493 -7.354 1.00 0.00 N ATOM 360 NH2 ARG A 24 -15.991 -2.137 -5.572 1.00 0.00 N ATOM 0 H ARG A 24 -7.552 -2.913 -7.214 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.582 -0.755 -6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.535 -2.833 -8.008 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.958 -3.761 -6.638 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.458 -2.585 -5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.911 -1.437 -6.360 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.876 -3.284 -7.730 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.396 -4.450 -6.513 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.165 -3.762 -5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.849 -1.588 -7.914 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.401 -0.800 -7.608 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.145 -2.728 -4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.688 -1.441 -5.836 1.00 0.00 H new ATOM 374 N THR A 25 -7.477 -1.822 -4.979 1.00 0.00 N ATOM 375 CA THR A 25 -6.942 -1.684 -3.630 1.00 0.00 C ATOM 376 C THR A 25 -7.139 -0.260 -3.116 1.00 0.00 C ATOM 377 O THR A 25 -7.516 -0.080 -1.963 1.00 0.00 O ATOM 378 CB THR A 25 -5.459 -2.045 -3.641 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.288 -3.386 -4.044 1.00 0.00 O ATOM 380 CG2 THR A 25 -4.852 -1.851 -2.258 1.00 0.00 C ATOM 0 H THR A 25 -6.780 -2.065 -5.683 1.00 0.00 H new ATOM 0 HA THR A 25 -7.476 -2.359 -2.961 1.00 0.00 H new ATOM 0 HB THR A 25 -4.952 -1.387 -4.347 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.485 -3.755 -3.621 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.794 -2.113 -2.285 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.960 -0.809 -1.956 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.366 -2.492 -1.542 1.00 0.00 H new ATOM 387 N SER A 26 -6.881 0.730 -3.982 1.00 0.00 N ATOM 388 CA SER A 26 -7.043 2.161 -3.717 1.00 0.00 C ATOM 389 C SER A 26 -6.258 2.706 -2.510 1.00 0.00 C ATOM 390 O SER A 26 -5.943 1.979 -1.572 1.00 0.00 O ATOM 391 CB SER A 26 -8.537 2.468 -3.590 1.00 0.00 C ATOM 392 OG SER A 26 -9.201 2.147 -4.797 1.00 0.00 O ATOM 0 H SER A 26 -6.540 0.545 -4.925 1.00 0.00 H new ATOM 0 HA SER A 26 -6.603 2.684 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.965 1.897 -2.767 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.681 3.523 -3.355 1.00 0.00 H new ATOM 0 HG SER A 26 -10.157 2.345 -4.707 1.00 0.00 H new ATOM 398 N PRO A 27 -5.934 4.011 -2.531 1.00 0.00 N ATOM 399 CA PRO A 27 -5.189 4.687 -1.470 1.00 0.00 C ATOM 400 C PRO A 27 -5.949 4.716 -0.149 1.00 0.00 C ATOM 401 O PRO A 27 -5.324 4.751 0.905 1.00 0.00 O ATOM 402 CB PRO A 27 -4.945 6.111 -1.980 1.00 0.00 C ATOM 403 CG PRO A 27 -5.975 6.320 -3.087 1.00 0.00 C ATOM 404 CD PRO A 27 -6.255 4.921 -3.616 1.00 0.00 C ATOM 0 HA PRO A 27 -4.261 4.155 -1.260 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.071 6.842 -1.182 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.930 6.225 -2.360 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.881 6.788 -2.703 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.588 6.971 -3.871 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.298 4.819 -3.915 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.648 4.708 -4.496 1.00 0.00 H new ATOM 412 N ASP A 28 -7.285 4.695 -0.183 1.00 0.00 N ATOM 413 CA ASP A 28 -8.083 4.784 1.031 1.00 0.00 C ATOM 414 C ASP A 28 -7.972 3.521 1.871 1.00 0.00 C ATOM 415 O ASP A 28 -7.826 3.600 3.089 1.00 0.00 O ATOM 416 CB ASP A 28 -9.541 4.986 0.652 1.00 0.00 C ATOM 417 CG ASP A 28 -10.403 5.237 1.889 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.895 4.240 2.465 1.00 0.00 O ATOM 419 OD2 ASP A 28 -10.562 6.424 2.248 1.00 0.00 O ATOM 0 H ASP A 28 -7.831 4.617 -1.041 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.709 5.623 1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.628 5.830 -0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.907 4.106 0.122 1.00 0.00 H new ATOM 424 N THR A 29 -8.039 2.353 1.228 1.00 0.00 N ATOM 425 CA THR A 29 -7.958 1.097 1.954 1.00 0.00 C ATOM 426 C THR A 29 -6.566 0.987 2.541 1.00 0.00 C ATOM 427 O THR A 29 -6.407 0.590 3.689 1.00 0.00 O ATOM 428 CB THR A 29 -8.199 -0.081 1.015 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.374 0.143 0.268 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.363 -1.376 1.810 1.00 0.00 C ATOM 0 H THR A 29 -8.148 2.257 0.218 1.00 0.00 H new ATOM 0 HA THR A 29 -8.716 1.076 2.737 1.00 0.00 H new ATOM 0 HB THR A 29 -7.340 -0.173 0.350 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.158 0.146 -0.688 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.534 -2.205 1.124 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.459 -1.565 2.389 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.213 -1.283 2.486 1.00 0.00 H new ATOM 437 N LEU A 30 -5.553 1.347 1.748 1.00 0.00 N ATOM 438 CA LEU A 30 -4.179 1.308 2.206 1.00 0.00 C ATOM 439 C LEU A 30 -3.995 2.267 3.379 1.00 0.00 C ATOM 440 O LEU A 30 -3.208 1.993 4.280 1.00 0.00 O ATOM 441 CB LEU A 30 -3.267 1.731 1.055 1.00 0.00 C ATOM 442 CG LEU A 30 -3.316 0.755 -0.120 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.730 1.440 -1.347 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.509 -0.500 0.193 1.00 0.00 C ATOM 0 H LEU A 30 -5.668 1.668 0.787 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.929 0.298 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.558 2.723 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.242 1.807 1.417 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.350 0.465 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.758 0.755 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.314 2.330 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.698 1.726 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.555 -1.183 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.471 -0.227 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.923 -0.988 1.075 1.00 0.00 H new ATOM 456 N ARG A 31 -4.718 3.394 3.384 1.00 0.00 N ATOM 457 CA ARG A 31 -4.545 4.394 4.420 1.00 0.00 C ATOM 458 C ARG A 31 -4.854 3.796 5.784 1.00 0.00 C ATOM 459 O ARG A 31 -4.018 3.840 6.682 1.00 0.00 O ATOM 460 CB ARG A 31 -5.459 5.594 4.136 1.00 0.00 C ATOM 461 CG ARG A 31 -4.912 6.917 4.683 1.00 0.00 C ATOM 462 CD ARG A 31 -4.440 6.816 6.127 1.00 0.00 C ATOM 463 NE ARG A 31 -4.035 8.130 6.643 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.818 8.940 7.361 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.065 8.592 7.668 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.348 10.114 7.773 1.00 0.00 N ATOM 0 H ARG A 31 -5.421 3.626 2.683 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.509 4.734 4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.602 5.686 3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.440 5.406 4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.082 7.246 4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.687 7.681 4.613 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.239 6.409 6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.602 6.122 6.191 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.087 8.447 6.438 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.436 7.695 7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.650 9.222 8.217 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.394 10.392 7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.941 10.737 8.321 1.00 0.00 H new ATOM 480 N ARG A 32 -6.055 3.237 5.939 1.00 0.00 N ATOM 481 CA ARG A 32 -6.483 2.659 7.210 1.00 0.00 C ATOM 482 C ARG A 32 -5.939 1.248 7.433 1.00 0.00 C ATOM 483 O ARG A 32 -6.160 0.668 8.492 1.00 0.00 O ATOM 484 CB ARG A 32 -8.013 2.689 7.259 1.00 0.00 C ATOM 485 CG ARG A 32 -8.604 1.798 6.160 1.00 0.00 C ATOM 486 CD ARG A 32 -9.810 2.465 5.502 1.00 0.00 C ATOM 487 NE ARG A 32 -10.895 2.694 6.464 1.00 0.00 N ATOM 488 CZ ARG A 32 -11.999 3.400 6.190 1.00 0.00 C ATOM 489 NH1 ARG A 32 -12.179 3.952 4.991 1.00 0.00 N ATOM 490 NH2 ARG A 32 -12.933 3.563 7.123 1.00 0.00 N ATOM 0 H ARG A 32 -6.750 3.173 5.195 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.071 3.256 8.024 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.358 2.349 8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.367 3.713 7.135 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.843 1.591 5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.901 0.839 6.585 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.506 3.415 5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.172 1.839 4.687 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.802 2.291 7.397 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.470 3.840 4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.026 4.487 4.798 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.808 3.150 8.047 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.774 4.101 6.914 1.00 0.00 H new ATOM 504 N VAL A 33 -5.233 0.692 6.447 1.00 0.00 N ATOM 505 CA VAL A 33 -4.558 -0.597 6.572 1.00 0.00 C ATOM 506 C VAL A 33 -3.113 -0.419 7.018 1.00 0.00 C ATOM 507 O VAL A 33 -2.484 -1.371 7.472 1.00 0.00 O ATOM 508 CB VAL A 33 -4.617 -1.316 5.220 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.582 -2.434 5.108 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.003 -1.934 5.063 1.00 0.00 C ATOM 0 H VAL A 33 -5.114 1.129 5.533 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.063 -1.194 7.332 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.405 -0.581 4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.666 -2.911 4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.582 -2.017 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.759 -3.173 5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.065 -2.451 4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.178 -2.645 5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.758 -1.149 5.101 1.00 0.00 H new ATOM 520 N PHE A 34 -2.578 0.796 6.899 1.00 0.00 N ATOM 521 CA PHE A 34 -1.186 1.057 7.225 1.00 0.00 C ATOM 522 C PHE A 34 -1.061 2.097 8.322 1.00 0.00 C ATOM 523 O PHE A 34 -0.191 1.977 9.181 1.00 0.00 O ATOM 524 CB PHE A 34 -0.479 1.524 5.954 1.00 0.00 C ATOM 525 CG PHE A 34 0.057 0.397 5.113 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.236 -0.245 5.512 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.604 -0.003 3.947 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.752 -1.300 4.746 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.089 -1.051 3.175 1.00 0.00 C ATOM 530 CZ PHE A 34 1.085 -1.706 3.581 1.00 0.00 C ATOM 0 H PHE A 34 -3.094 1.615 6.577 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.722 0.144 7.599 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.175 2.113 5.357 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.344 2.185 6.228 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.747 0.072 6.409 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.512 0.497 3.642 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.660 -1.798 5.052 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.593 -1.355 2.270 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.475 -2.525 2.995 1.00 0.00 H new ATOM 540 N GLU A 35 -1.912 3.120 8.314 1.00 0.00 N ATOM 541 CA GLU A 35 -1.836 4.126 9.354 1.00 0.00 C ATOM 542 C GLU A 35 -2.231 3.528 10.700 1.00 0.00 C ATOM 543 O GLU A 35 -1.933 4.095 11.751 1.00 0.00 O ATOM 544 CB GLU A 35 -2.697 5.346 9.014 1.00 0.00 C ATOM 545 CG GLU A 35 -4.174 5.196 9.393 1.00 0.00 C ATOM 546 CD GLU A 35 -4.441 5.533 10.861 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.932 6.579 11.320 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.156 4.740 11.516 1.00 0.00 O ATOM 0 H GLU A 35 -2.641 3.268 7.617 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.803 4.469 9.421 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.289 6.218 9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.626 5.540 7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.776 5.847 8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.494 4.173 9.195 1.00 0.00 H new ATOM 555 N LYS A 36 -2.906 2.374 10.661 1.00 0.00 N ATOM 556 CA LYS A 36 -3.419 1.712 11.846 1.00 0.00 C ATOM 557 C LYS A 36 -2.302 1.338 12.803 1.00 0.00 C ATOM 558 O LYS A 36 -2.502 1.328 14.016 1.00 0.00 O ATOM 559 CB LYS A 36 -4.189 0.463 11.421 1.00 0.00 C ATOM 560 CG LYS A 36 -3.281 -0.584 10.773 1.00 0.00 C ATOM 561 CD LYS A 36 -4.084 -1.718 10.136 1.00 0.00 C ATOM 562 CE LYS A 36 -5.160 -2.257 11.071 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.769 -3.489 10.531 1.00 0.00 N ATOM 0 H LYS A 36 -3.109 1.876 9.794 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.082 2.400 12.371 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.680 0.027 12.291 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.975 0.744 10.720 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.661 -0.107 10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.606 -0.994 11.524 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.549 -1.360 9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.409 -2.527 9.857 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.726 -2.462 12.050 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.931 -1.501 11.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.498 -3.833 11.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.203 -3.286 9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.035 -4.217 10.416 1.00 0.00 H new ATOM 577 N TYR A 37 -1.122 1.031 12.259 1.00 0.00 N ATOM 578 CA TYR A 37 0.012 0.679 13.088 1.00 0.00 C ATOM 579 C TYR A 37 0.638 1.919 13.724 1.00 0.00 C ATOM 580 O TYR A 37 1.344 1.807 14.726 1.00 0.00 O ATOM 581 CB TYR A 37 1.053 -0.041 12.238 1.00 0.00 C ATOM 582 CG TYR A 37 0.544 -1.336 11.654 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.656 -2.521 12.387 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.044 -1.347 10.381 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.172 -3.725 11.854 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.529 -2.544 9.842 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.428 -3.742 10.579 1.00 0.00 C ATOM 588 OH TYR A 37 -0.910 -4.907 10.065 1.00 0.00 O ATOM 0 H TYR A 37 -0.937 1.021 11.256 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.335 0.026 13.888 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.371 0.616 11.428 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.934 -0.245 12.847 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.115 -2.510 13.364 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.123 -0.430 9.816 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.259 -4.640 12.421 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.981 -2.550 8.861 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.966 -4.836 9.089 1.00 0.00 H new ATOM 598 N GLY A 38 0.381 3.098 13.148 1.00 0.00 N ATOM 599 CA GLY A 38 0.852 4.347 13.722 1.00 0.00 C ATOM 600 C GLY A 38 0.314 5.549 12.956 1.00 0.00 C ATOM 601 O GLY A 38 -0.485 6.313 13.499 1.00 0.00 O ATOM 0 H GLY A 38 -0.151 3.206 12.285 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.542 4.410 14.765 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.942 4.366 13.712 1.00 0.00 H new ATOM 605 N ARG A 39 0.741 5.721 11.701 1.00 0.00 N ATOM 606 CA ARG A 39 0.250 6.796 10.847 1.00 0.00 C ATOM 607 C ARG A 39 0.718 6.595 9.413 1.00 0.00 C ATOM 608 O ARG A 39 1.579 5.759 9.151 1.00 0.00 O ATOM 609 CB ARG A 39 0.780 8.142 11.362 1.00 0.00 C ATOM 610 CG ARG A 39 -0.158 9.316 11.054 1.00 0.00 C ATOM 611 CD ARG A 39 -1.497 9.126 11.759 1.00 0.00 C ATOM 612 NE ARG A 39 -2.305 10.347 11.696 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.639 10.383 11.729 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.362 9.265 11.789 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.265 11.557 11.703 1.00 0.00 N ATOM 0 H ARG A 39 1.433 5.120 11.254 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.840 6.788 10.870 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.930 8.078 12.440 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.755 8.337 10.915 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.301 10.251 11.377 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.314 9.392 9.978 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.041 8.302 11.297 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.327 8.852 12.800 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.811 11.236 11.621 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.897 8.357 11.811 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.380 9.317 11.813 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.726 12.422 11.658 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.284 11.592 11.728 1.00 0.00 H new ATOM 629 N VAL A 40 0.141 7.372 8.499 1.00 0.00 N ATOM 630 CA VAL A 40 0.508 7.373 7.095 1.00 0.00 C ATOM 631 C VAL A 40 0.721 8.817 6.669 1.00 0.00 C ATOM 632 O VAL A 40 -0.227 9.550 6.396 1.00 0.00 O ATOM 633 CB VAL A 40 -0.597 6.701 6.274 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.435 6.933 4.783 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.550 5.192 6.445 1.00 0.00 C ATOM 0 H VAL A 40 -0.607 8.028 8.723 1.00 0.00 H new ATOM 0 HA VAL A 40 1.427 6.811 6.928 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.528 7.136 6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.244 6.436 4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.466 8.003 4.576 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.522 6.527 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.343 4.734 5.854 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.417 4.818 6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.690 4.940 7.496 1.00 0.00 H new ATOM 645 N GLY A 41 1.992 9.213 6.616 1.00 0.00 N ATOM 646 CA GLY A 41 2.400 10.538 6.176 1.00 0.00 C ATOM 647 C GLY A 41 1.977 10.822 4.734 1.00 0.00 C ATOM 648 O GLY A 41 1.744 11.977 4.381 1.00 0.00 O ATOM 0 H GLY A 41 2.773 8.613 6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.964 11.288 6.835 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.483 10.630 6.260 1.00 0.00 H new ATOM 652 N ASP A 42 1.872 9.780 3.905 1.00 0.00 N ATOM 653 CA ASP A 42 1.516 9.900 2.503 1.00 0.00 C ATOM 654 C ASP A 42 0.916 8.580 2.021 1.00 0.00 C ATOM 655 O ASP A 42 1.363 7.507 2.422 1.00 0.00 O ATOM 656 CB ASP A 42 2.789 10.166 1.694 1.00 0.00 C ATOM 657 CG ASP A 42 3.283 11.603 1.826 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.548 12.505 1.368 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.391 11.784 2.380 1.00 0.00 O ATOM 0 H ASP A 42 2.036 8.818 4.201 1.00 0.00 H new ATOM 0 HA ASP A 42 0.799 10.711 2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.573 9.485 2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.599 9.947 0.643 1.00 0.00 H new ATOM 664 N VAL A 43 -0.097 8.650 1.155 1.00 0.00 N ATOM 665 CA VAL A 43 -0.694 7.459 0.565 1.00 0.00 C ATOM 666 C VAL A 43 -1.220 7.836 -0.815 1.00 0.00 C ATOM 667 O VAL A 43 -2.129 8.658 -0.935 1.00 0.00 O ATOM 668 CB VAL A 43 -1.770 6.888 1.510 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.208 7.271 1.174 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.688 5.368 1.607 1.00 0.00 C ATOM 0 H VAL A 43 -0.520 9.526 0.848 1.00 0.00 H new ATOM 0 HA VAL A 43 0.035 6.659 0.435 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.533 7.354 2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.884 6.818 1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.313 8.355 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.456 6.914 0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.463 5.004 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.834 4.932 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.709 5.080 1.990 1.00 0.00 H new ATOM 680 N TYR A 44 -0.654 7.245 -1.863 1.00 0.00 N ATOM 681 CA TYR A 44 -1.141 7.498 -3.209 1.00 0.00 C ATOM 682 C TYR A 44 -0.796 6.339 -4.138 1.00 0.00 C ATOM 683 O TYR A 44 0.003 5.469 -3.788 1.00 0.00 O ATOM 684 CB TYR A 44 -0.577 8.814 -3.749 1.00 0.00 C ATOM 685 CG TYR A 44 0.779 8.708 -4.415 1.00 0.00 C ATOM 686 CD1 TYR A 44 1.957 8.858 -3.674 1.00 0.00 C ATOM 687 CD2 TYR A 44 0.838 8.459 -5.793 1.00 0.00 C ATOM 688 CE1 TYR A 44 3.204 8.783 -4.317 1.00 0.00 C ATOM 689 CE2 TYR A 44 2.076 8.369 -6.439 1.00 0.00 C ATOM 690 CZ TYR A 44 3.267 8.543 -5.705 1.00 0.00 C ATOM 691 OH TYR A 44 4.471 8.472 -6.337 1.00 0.00 O ATOM 0 H TYR A 44 0.131 6.597 -1.806 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.227 7.585 -3.167 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.286 9.227 -4.467 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.505 9.525 -2.926 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.907 9.031 -2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.074 8.336 -6.358 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.114 8.909 -3.749 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.119 8.166 -7.499 1.00 0.00 H new ATOM 0 HH TYR A 44 4.941 7.660 -6.054 1.00 0.00 H new ATOM 701 N ILE A 45 -1.405 6.337 -5.327 1.00 0.00 N ATOM 702 CA ILE A 45 -1.203 5.300 -6.325 1.00 0.00 C ATOM 703 C ILE A 45 -0.751 5.971 -7.633 1.00 0.00 C ATOM 704 O ILE A 45 -1.522 6.719 -8.235 1.00 0.00 O ATOM 705 CB ILE A 45 -2.496 4.492 -6.527 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.798 3.494 -5.401 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.364 3.640 -7.793 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.024 4.141 -4.043 1.00 0.00 C ATOM 0 H ILE A 45 -2.057 7.065 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.435 4.601 -5.995 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.292 5.235 -6.569 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.683 2.917 -5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.970 2.789 -5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.278 3.065 -7.941 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.200 4.289 -8.653 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.520 2.959 -7.687 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.231 3.369 -3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.132 4.694 -3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.871 4.824 -4.102 1.00 0.00 H new ATOM 720 N PRO A 46 0.491 5.709 -8.072 1.00 0.00 N ATOM 721 CA PRO A 46 1.078 6.194 -9.320 1.00 0.00 C ATOM 722 C PRO A 46 0.476 5.517 -10.558 1.00 0.00 C ATOM 723 O PRO A 46 1.205 5.105 -11.461 1.00 0.00 O ATOM 724 CB PRO A 46 2.573 5.916 -9.193 1.00 0.00 C ATOM 725 CG PRO A 46 2.621 4.694 -8.287 1.00 0.00 C ATOM 726 CD PRO A 46 1.450 4.901 -7.342 1.00 0.00 C ATOM 0 HA PRO A 46 0.872 7.255 -9.464 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.030 5.717 -10.162 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.105 6.762 -8.757 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.518 3.770 -8.855 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.566 4.633 -7.747 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.013 3.947 -7.046 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.769 5.403 -6.428 1.00 0.00 H new ATOM 900 N GLY A 56 -0.298 -1.304 -11.116 1.00 0.00 N ATOM 901 CA GLY A 56 -0.287 -2.500 -10.286 1.00 0.00 C ATOM 902 C GLY A 56 0.438 -2.291 -8.955 1.00 0.00 C ATOM 903 O GLY A 56 0.714 -3.267 -8.262 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.313 -2.811 -10.091 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.193 -3.312 -10.833 1.00 0.00 H new ATOM 907 N PHE A 57 0.749 -1.047 -8.585 1.00 0.00 N ATOM 908 CA PHE A 57 1.446 -0.755 -7.344 1.00 0.00 C ATOM 909 C PHE A 57 1.030 0.607 -6.807 1.00 0.00 C ATOM 910 O PHE A 57 0.576 1.473 -7.553 1.00 0.00 O ATOM 911 CB PHE A 57 2.957 -0.803 -7.573 1.00 0.00 C ATOM 912 CG PHE A 57 3.552 0.406 -8.256 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.355 0.639 -9.625 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.325 1.305 -7.504 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.916 1.774 -10.229 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.890 2.432 -8.108 1.00 0.00 C ATOM 917 CZ PHE A 57 4.673 2.679 -9.471 1.00 0.00 C ATOM 0 H PHE A 57 0.523 -0.221 -9.139 1.00 0.00 H new ATOM 0 HA PHE A 57 1.178 -1.509 -6.603 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.449 -0.932 -6.609 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.188 -1.686 -8.169 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.772 -0.054 -10.213 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.484 1.125 -6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.764 1.952 -11.283 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.493 3.112 -7.525 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.087 3.562 -9.935 1.00 0.00 H new ATOM 927 N ALA A 58 1.200 0.776 -5.496 1.00 0.00 N ATOM 928 CA ALA A 58 0.865 1.992 -4.789 1.00 0.00 C ATOM 929 C ALA A 58 2.149 2.669 -4.342 1.00 0.00 C ATOM 930 O ALA A 58 3.233 2.374 -4.839 1.00 0.00 O ATOM 931 CB ALA A 58 -0.026 1.656 -3.592 1.00 0.00 C ATOM 0 H ALA A 58 1.583 0.050 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 58 0.317 2.673 -5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.279 2.572 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.940 1.176 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.505 0.980 -2.921 1.00 0.00 H new ATOM 937 N PHE A 59 2.019 3.584 -3.390 1.00 0.00 N ATOM 938 CA PHE A 59 3.133 4.323 -2.838 1.00 0.00 C ATOM 939 C PHE A 59 2.679 4.872 -1.512 1.00 0.00 C ATOM 940 O PHE A 59 2.538 6.084 -1.346 1.00 0.00 O ATOM 941 CB PHE A 59 3.541 5.405 -3.835 1.00 0.00 C ATOM 942 CG PHE A 59 5.023 5.698 -3.907 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.792 5.898 -2.751 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.627 5.768 -5.169 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.163 6.178 -2.861 1.00 0.00 C ATOM 946 CE2 PHE A 59 6.999 6.040 -5.279 1.00 0.00 C ATOM 947 CZ PHE A 59 7.768 6.250 -4.127 1.00 0.00 C ATOM 0 H PHE A 59 1.120 3.833 -2.977 1.00 0.00 H new ATOM 0 HA PHE A 59 4.016 3.706 -2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.198 5.109 -4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.018 6.326 -3.579 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.329 5.837 -1.777 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.035 5.612 -6.059 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.754 6.338 -1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.463 6.088 -6.253 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.823 6.467 -4.212 1.00 0.00 H new ATOM 957 N VAL A 60 2.446 3.971 -0.550 1.00 0.00 N ATOM 958 CA VAL A 60 2.240 4.536 0.774 1.00 0.00 C ATOM 959 C VAL A 60 3.613 4.951 1.265 1.00 0.00 C ATOM 960 O VAL A 60 4.572 4.209 1.063 1.00 0.00 O ATOM 961 CB VAL A 60 1.525 3.629 1.781 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.475 2.708 1.167 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.451 2.930 2.774 1.00 0.00 C ATOM 0 H VAL A 60 2.399 2.957 -0.646 1.00 0.00 H new ATOM 0 HA VAL A 60 1.550 5.376 0.690 1.00 0.00 H new ATOM 0 HB VAL A 60 0.952 4.328 2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.020 2.102 1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.293 3.307 0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.948 2.056 0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.860 2.310 3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.160 2.304 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.995 3.677 3.352 1.00 0.00 H new ATOM 973 N ARG A 61 3.709 6.114 1.905 1.00 0.00 N ATOM 974 CA ARG A 61 4.966 6.601 2.438 1.00 0.00 C ATOM 975 C ARG A 61 4.790 7.077 3.851 1.00 0.00 C ATOM 976 O ARG A 61 3.865 7.811 4.194 1.00 0.00 O ATOM 977 CB ARG A 61 5.614 7.643 1.516 1.00 0.00 C ATOM 978 CG ARG A 61 6.528 8.598 2.287 1.00 0.00 C ATOM 979 CD ARG A 61 7.253 9.534 1.320 1.00 0.00 C ATOM 980 NE ARG A 61 8.365 10.217 1.985 1.00 0.00 N ATOM 981 CZ ARG A 61 8.257 11.318 2.734 1.00 0.00 C ATOM 982 NH1 ARG A 61 7.084 11.914 2.943 1.00 0.00 N ATOM 983 NH2 ARG A 61 9.349 11.839 3.286 1.00 0.00 N ATOM 0 H ARG A 61 2.918 6.738 2.065 1.00 0.00 H new ATOM 0 HA ARG A 61 5.672 5.772 2.472 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.190 7.135 0.742 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.836 8.214 1.011 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.941 9.181 2.997 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.255 8.029 2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.628 8.965 0.469 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.552 10.270 0.927 1.00 0.00 H new ATOM 0 HE ARG A 61 9.297 9.820 1.867 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.236 11.531 2.526 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.034 12.754 3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.256 11.398 3.135 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.279 12.679 3.860 1.00 0.00 H new ATOM 997 N PHE A 62 5.731 6.611 4.664 1.00 0.00 N ATOM 998 CA PHE A 62 5.701 6.906 6.083 1.00 0.00 C ATOM 999 C PHE A 62 6.743 7.955 6.398 1.00 0.00 C ATOM 1000 O PHE A 62 7.810 7.967 5.789 1.00 0.00 O ATOM 1001 CB PHE A 62 5.932 5.636 6.886 1.00 0.00 C ATOM 1002 CG PHE A 62 4.682 4.805 7.060 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.767 4.636 6.009 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.443 4.203 8.301 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.597 3.894 6.197 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.289 3.434 8.487 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.374 3.286 7.445 1.00 0.00 C ATOM 0 H PHE A 62 6.516 6.033 4.364 1.00 0.00 H new ATOM 0 HA PHE A 62 4.722 7.298 6.358 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.694 5.034 6.391 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.324 5.901 7.868 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.969 5.083 5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.146 4.331 9.111 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.878 3.790 5.398 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.107 2.955 9.438 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.482 2.697 7.599 1.00 0.00 H new ATOM 1017 N HIS A 63 6.397 8.818 7.355 1.00 0.00 N ATOM 1018 CA HIS A 63 7.195 9.943 7.815 1.00 0.00 C ATOM 1019 C HIS A 63 8.053 9.544 9.016 1.00 0.00 C ATOM 1020 O HIS A 63 8.863 10.340 9.489 1.00 0.00 O ATOM 1021 CB HIS A 63 6.221 11.057 8.221 1.00 0.00 C ATOM 1022 CG HIS A 63 5.169 10.573 9.188 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.358 9.564 10.135 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.882 11.025 9.276 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.183 9.426 10.764 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.283 10.299 10.281 1.00 0.00 N ATOM 0 H HIS A 63 5.509 8.743 7.851 1.00 0.00 H new ATOM 0 HA HIS A 63 7.866 10.276 7.024 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.778 11.877 8.674 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.736 11.456 7.330 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.425 11.798 8.676 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.987 8.712 11.550 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.321 10.406 10.603 1.00 0.00 H new ATOM 1034 N ASP A 64 7.879 8.315 9.509 1.00 0.00 N ATOM 1035 CA ASP A 64 8.573 7.822 10.684 1.00 0.00 C ATOM 1036 C ASP A 64 8.818 6.324 10.521 1.00 0.00 C ATOM 1037 O ASP A 64 7.878 5.532 10.471 1.00 0.00 O ATOM 1038 CB ASP A 64 7.738 8.114 11.935 1.00 0.00 C ATOM 1039 CG ASP A 64 8.495 7.800 13.226 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.399 6.936 13.182 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.161 8.435 14.252 1.00 0.00 O ATOM 0 H ASP A 64 7.244 7.633 9.094 1.00 0.00 H new ATOM 0 HA ASP A 64 9.534 8.324 10.795 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.444 9.163 11.935 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.821 7.526 11.902 1.00 0.00 H new ATOM 1046 N LYS A 65 10.095 5.944 10.439 1.00 0.00 N ATOM 1047 CA LYS A 65 10.503 4.565 10.244 1.00 0.00 C ATOM 1048 C LYS A 65 9.979 3.627 11.319 1.00 0.00 C ATOM 1049 O LYS A 65 9.853 2.435 11.065 1.00 0.00 O ATOM 1050 CB LYS A 65 12.025 4.496 10.180 1.00 0.00 C ATOM 1051 CG LYS A 65 12.672 4.781 11.539 1.00 0.00 C ATOM 1052 CD LYS A 65 14.143 5.176 11.371 1.00 0.00 C ATOM 1053 CE LYS A 65 14.928 4.103 10.620 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.326 4.528 10.401 1.00 0.00 N ATOM 0 H LYS A 65 10.876 6.596 10.508 1.00 0.00 H new ATOM 0 HA LYS A 65 10.066 4.227 9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.329 3.508 9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.390 5.216 9.447 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.131 5.582 12.043 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.598 3.898 12.174 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.208 6.121 10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.592 5.338 12.351 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.911 3.172 11.186 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.450 3.902 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.839 3.782 9.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.339 5.404 9.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.785 4.697 11.319 1.00 0.00 H new ATOM 1068 N ARG A 66 9.669 4.131 12.517 1.00 0.00 N ATOM 1069 CA ARG A 66 9.201 3.277 13.604 1.00 0.00 C ATOM 1070 C ARG A 66 7.794 2.773 13.301 1.00 0.00 C ATOM 1071 O ARG A 66 7.517 1.582 13.446 1.00 0.00 O ATOM 1072 CB ARG A 66 9.228 4.070 14.915 1.00 0.00 C ATOM 1073 CG ARG A 66 10.635 4.568 15.258 1.00 0.00 C ATOM 1074 CD ARG A 66 11.639 3.417 15.313 1.00 0.00 C ATOM 1075 NE ARG A 66 12.961 3.889 15.736 1.00 0.00 N ATOM 1076 CZ ARG A 66 14.114 3.275 15.449 1.00 0.00 C ATOM 1077 NH1 ARG A 66 14.127 2.154 14.733 1.00 0.00 N ATOM 1078 NH2 ARG A 66 15.261 3.785 15.887 1.00 0.00 N ATOM 0 H ARG A 66 9.734 5.121 12.755 1.00 0.00 H new ATOM 0 HA ARG A 66 9.856 2.411 13.703 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.552 4.921 14.837 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.858 3.442 15.726 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.956 5.297 14.513 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.616 5.082 16.219 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.284 2.653 16.005 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.714 2.948 14.332 1.00 0.00 H new ATOM 0 HE ARG A 66 13.004 4.746 16.288 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.251 1.754 14.396 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.013 1.695 14.520 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.260 4.642 16.440 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.142 3.319 15.670 1.00 0.00 H new ATOM 1092 N ASP A 67 6.910 3.677 12.873 1.00 0.00 N ATOM 1093 CA ASP A 67 5.563 3.292 12.492 1.00 0.00 C ATOM 1094 C ASP A 67 5.623 2.431 11.237 1.00 0.00 C ATOM 1095 O ASP A 67 4.770 1.569 11.023 1.00 0.00 O ATOM 1096 CB ASP A 67 4.714 4.544 12.226 1.00 0.00 C ATOM 1097 CG ASP A 67 4.568 5.412 13.474 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.456 4.831 14.582 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.572 6.651 13.313 1.00 0.00 O ATOM 0 H ASP A 67 7.108 4.674 12.784 1.00 0.00 H new ATOM 0 HA ASP A 67 5.106 2.724 13.302 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.172 5.130 11.429 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.726 4.245 11.875 1.00 0.00 H new ATOM 1104 N ALA A 68 6.641 2.666 10.403 1.00 0.00 N ATOM 1105 CA ALA A 68 6.819 1.913 9.177 1.00 0.00 C ATOM 1106 C ALA A 68 7.379 0.519 9.451 1.00 0.00 C ATOM 1107 O ALA A 68 7.048 -0.418 8.731 1.00 0.00 O ATOM 1108 CB ALA A 68 7.776 2.697 8.283 1.00 0.00 C ATOM 0 H ALA A 68 7.353 3.378 10.564 1.00 0.00 H new ATOM 0 HA ALA A 68 5.853 1.780 8.690 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.930 2.154 7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.351 3.677 8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.731 2.820 8.793 1.00 0.00 H new ATOM 1114 N GLU A 69 8.219 0.370 10.480 1.00 0.00 N ATOM 1115 CA GLU A 69 8.804 -0.913 10.839 1.00 0.00 C ATOM 1116 C GLU A 69 7.729 -1.919 11.209 1.00 0.00 C ATOM 1117 O GLU A 69 7.725 -3.036 10.688 1.00 0.00 O ATOM 1118 CB GLU A 69 9.733 -0.740 12.044 1.00 0.00 C ATOM 1119 CG GLU A 69 11.164 -0.438 11.597 1.00 0.00 C ATOM 1120 CD GLU A 69 12.100 -0.365 12.803 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.154 0.715 13.431 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.757 -1.392 13.086 1.00 0.00 O ATOM 0 H GLU A 69 8.509 1.139 11.084 1.00 0.00 H new ATOM 0 HA GLU A 69 9.359 -1.279 9.975 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.367 0.070 12.676 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.721 -1.646 12.649 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.507 -1.212 10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.189 0.506 11.053 1.00 0.00 H new ATOM 1129 N ASP A 70 6.812 -1.545 12.104 1.00 0.00 N ATOM 1130 CA ASP A 70 5.816 -2.502 12.551 1.00 0.00 C ATOM 1131 C ASP A 70 4.813 -2.809 11.439 1.00 0.00 C ATOM 1132 O ASP A 70 4.453 -3.968 11.232 1.00 0.00 O ATOM 1133 CB ASP A 70 5.103 -1.963 13.791 1.00 0.00 C ATOM 1134 CG ASP A 70 6.080 -1.651 14.924 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.930 -2.526 15.214 1.00 0.00 O ATOM 1136 OD2 ASP A 70 5.972 -0.544 15.495 1.00 0.00 O ATOM 0 H ASP A 70 6.743 -0.616 12.518 1.00 0.00 H new ATOM 0 HA ASP A 70 6.318 -3.435 12.809 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.552 -1.060 13.528 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.371 -2.694 14.135 1.00 0.00 H new ATOM 1141 N ALA A 71 4.357 -1.778 10.720 1.00 0.00 N ATOM 1142 CA ALA A 71 3.405 -1.968 9.642 1.00 0.00 C ATOM 1143 C ALA A 71 3.994 -2.889 8.583 1.00 0.00 C ATOM 1144 O ALA A 71 3.336 -3.825 8.146 1.00 0.00 O ATOM 1145 CB ALA A 71 3.040 -0.608 9.039 1.00 0.00 C ATOM 0 H ALA A 71 4.636 -0.809 10.871 1.00 0.00 H new ATOM 0 HA ALA A 71 2.500 -2.433 10.032 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.325 -0.749 8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.597 0.024 9.808 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.939 -0.129 8.650 1.00 0.00 H new ATOM 1151 N MET A 72 5.236 -2.636 8.168 1.00 0.00 N ATOM 1152 CA MET A 72 5.911 -3.438 7.159 1.00 0.00 C ATOM 1153 C MET A 72 6.093 -4.872 7.638 1.00 0.00 C ATOM 1154 O MET A 72 5.880 -5.809 6.872 1.00 0.00 O ATOM 1155 CB MET A 72 7.263 -2.785 6.886 1.00 0.00 C ATOM 1156 CG MET A 72 8.190 -3.665 6.051 1.00 0.00 C ATOM 1157 SD MET A 72 9.566 -2.763 5.292 1.00 0.00 S ATOM 1158 CE MET A 72 10.048 -1.700 6.674 1.00 0.00 C ATOM 0 H MET A 72 5.800 -1.865 8.526 1.00 0.00 H new ATOM 0 HA MET A 72 5.315 -3.479 6.247 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.106 -1.838 6.369 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.747 -2.553 7.835 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.592 -4.457 6.684 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.608 -4.148 5.266 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.047 -1.303 6.496 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.341 -0.876 6.763 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.047 -2.280 7.597 1.00 0.00 H new ATOM 1168 N ASP A 73 6.486 -5.043 8.901 1.00 0.00 N ATOM 1169 CA ASP A 73 6.652 -6.363 9.493 1.00 0.00 C ATOM 1170 C ASP A 73 5.304 -7.064 9.687 1.00 0.00 C ATOM 1171 O ASP A 73 5.265 -8.231 10.077 1.00 0.00 O ATOM 1172 CB ASP A 73 7.387 -6.222 10.826 1.00 0.00 C ATOM 1173 CG ASP A 73 7.728 -7.579 11.435 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.460 -8.342 10.768 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.250 -7.842 12.563 1.00 0.00 O ATOM 0 H ASP A 73 6.696 -4.273 9.536 1.00 0.00 H new ATOM 0 HA ASP A 73 7.240 -6.982 8.815 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.303 -5.651 10.677 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.769 -5.656 11.523 1.00 0.00 H new ATOM 1180 N ALA A 74 4.192 -6.366 9.421 1.00 0.00 N ATOM 1181 CA ALA A 74 2.858 -6.904 9.593 1.00 0.00 C ATOM 1182 C ALA A 74 1.999 -6.734 8.333 1.00 0.00 C ATOM 1183 O ALA A 74 0.800 -7.007 8.379 1.00 0.00 O ATOM 1184 CB ALA A 74 2.221 -6.212 10.796 1.00 0.00 C ATOM 0 H ALA A 74 4.205 -5.405 9.078 1.00 0.00 H new ATOM 0 HA ALA A 74 2.922 -7.978 9.768 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.214 -6.600 10.948 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.821 -6.403 11.686 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.173 -5.138 10.615 1.00 0.00 H new ATOM 1190 N MET A 75 2.588 -6.292 7.215 1.00 0.00 N ATOM 1191 CA MET A 75 1.844 -6.061 5.986 1.00 0.00 C ATOM 1192 C MET A 75 2.542 -6.606 4.741 1.00 0.00 C ATOM 1193 O MET A 75 1.887 -6.757 3.709 1.00 0.00 O ATOM 1194 CB MET A 75 1.611 -4.560 5.805 1.00 0.00 C ATOM 1195 CG MET A 75 0.505 -4.033 6.716 1.00 0.00 C ATOM 1196 SD MET A 75 -1.112 -4.799 6.428 1.00 0.00 S ATOM 1197 CE MET A 75 -1.163 -4.685 4.625 1.00 0.00 C ATOM 0 H MET A 75 3.585 -6.088 7.144 1.00 0.00 H new ATOM 0 HA MET A 75 0.902 -6.599 6.088 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.537 -4.023 6.012 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.351 -4.357 4.766 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.794 -4.197 7.754 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.416 -2.956 6.577 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.166 -4.928 4.273 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.906 -3.671 4.317 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.448 -5.387 4.196 1.00 0.00 H new ATOM 1207 N ASP A 76 3.841 -6.901 4.792 1.00 0.00 N ATOM 1208 CA ASP A 76 4.519 -7.447 3.625 1.00 0.00 C ATOM 1209 C ASP A 76 3.973 -8.835 3.279 1.00 0.00 C ATOM 1210 O ASP A 76 4.130 -9.781 4.047 1.00 0.00 O ATOM 1211 CB ASP A 76 6.026 -7.492 3.866 1.00 0.00 C ATOM 1212 CG ASP A 76 6.746 -7.879 2.581 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.632 -7.105 1.604 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.407 -8.943 2.586 1.00 0.00 O ATOM 0 H ASP A 76 4.432 -6.773 5.613 1.00 0.00 H new ATOM 0 HA ASP A 76 4.328 -6.795 2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.377 -6.519 4.211 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.256 -8.211 4.652 1.00 0.00 H new ATOM 1219 N GLY A 77 3.333 -8.946 2.114 1.00 0.00 N ATOM 1220 CA GLY A 77 2.752 -10.192 1.627 1.00 0.00 C ATOM 1221 C GLY A 77 1.542 -10.611 2.460 1.00 0.00 C ATOM 1222 O GLY A 77 1.251 -11.800 2.567 1.00 0.00 O ATOM 0 H GLY A 77 3.203 -8.161 1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.454 -10.072 0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.504 -10.980 1.655 1.00 0.00 H new ATOM 1226 N ALA A 78 0.845 -9.634 3.041 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.275 -9.868 3.940 1.00 0.00 C ATOM 1228 C ALA A 78 -1.599 -10.054 3.188 1.00 0.00 C ATOM 1229 O ALA A 78 -2.633 -10.228 3.829 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.365 -8.696 4.920 1.00 0.00 C ATOM 0 H ALA A 78 1.049 -8.645 2.895 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.099 -10.798 4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.200 -8.855 5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.561 -8.627 5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.520 -7.770 4.366 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.568 -10.016 1.847 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.739 -10.184 0.980 1.00 0.00 C ATOM 1238 C VAL A 79 -4.003 -9.570 1.589 1.00 0.00 C ATOM 1239 O VAL A 79 -4.921 -10.264 2.024 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.871 -11.644 0.495 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.466 -12.676 1.541 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -4.246 -11.970 -0.066 1.00 0.00 C ATOM 0 H VAL A 79 -0.705 -9.864 1.325 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.587 -9.604 0.070 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.154 -11.714 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.585 -13.678 1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.424 -12.520 1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.099 -12.569 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.270 -13.011 -0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.000 -11.811 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.455 -11.322 -0.917 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.046 -8.234 1.620 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.220 -7.504 2.100 1.00 0.00 C ATOM 1254 C LEU A 80 -6.406 -7.580 1.128 1.00 0.00 C ATOM 1255 O LEU A 80 -7.465 -7.034 1.429 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.855 -6.051 2.437 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.337 -5.229 1.251 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.393 -4.919 0.195 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -3.815 -3.887 1.754 1.00 0.00 C ATOM 0 H LEU A 80 -3.277 -7.636 1.317 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.550 -7.995 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.735 -5.556 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.096 -6.053 3.219 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.564 -5.843 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.944 -4.335 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.787 -5.851 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.204 -4.349 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.446 -3.301 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.621 -3.345 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.004 -4.055 2.462 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.253 -8.240 -0.028 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.340 -8.353 -0.991 1.00 0.00 C ATOM 1273 C ASP A 81 -7.443 -9.782 -1.523 1.00 0.00 C ATOM 1274 O ASP A 81 -8.498 -10.401 -1.412 1.00 0.00 O ATOM 1275 CB ASP A 81 -7.143 -7.361 -2.139 1.00 0.00 C ATOM 1276 CG ASP A 81 -8.281 -7.470 -3.145 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -8.201 -8.370 -4.012 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -9.225 -6.651 -3.043 1.00 0.00 O ATOM 0 H ASP A 81 -5.388 -8.700 -0.312 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.275 -8.111 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.095 -6.346 -1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.192 -7.555 -2.635 1.00 0.00 H new ATOM 1283 N GLY A 82 -6.356 -10.302 -2.097 1.00 0.00 N ATOM 1284 CA GLY A 82 -6.321 -11.688 -2.552 1.00 0.00 C ATOM 1285 C GLY A 82 -5.198 -11.965 -3.541 1.00 0.00 C ATOM 1286 O GLY A 82 -5.347 -12.797 -4.435 1.00 0.00 O ATOM 0 H GLY A 82 -5.492 -9.784 -2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.207 -12.344 -1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.275 -11.935 -3.017 1.00 0.00 H new ATOM 1290 N ARG A 83 -4.075 -11.261 -3.383 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.879 -11.487 -4.178 1.00 0.00 C ATOM 1292 C ARG A 83 -1.648 -11.457 -3.288 1.00 0.00 C ATOM 1293 O ARG A 83 -0.832 -12.370 -3.377 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.793 -10.457 -5.312 1.00 0.00 C ATOM 1295 CG ARG A 83 -3.134 -9.029 -4.857 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.618 -8.022 -5.886 1.00 0.00 C ATOM 1297 NE ARG A 83 -3.153 -8.315 -7.220 1.00 0.00 N ATOM 1298 CZ ARG A 83 -2.426 -8.395 -8.338 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -1.110 -8.201 -8.321 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -3.023 -8.683 -9.492 1.00 0.00 N ATOM 0 H ARG A 83 -3.975 -10.515 -2.694 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.930 -12.474 -4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.786 -10.468 -5.729 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.473 -10.749 -6.112 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.212 -8.923 -4.739 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.686 -8.831 -3.883 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.904 -7.013 -5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.529 -8.049 -5.913 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.158 -8.470 -7.300 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.637 -7.987 -7.443 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.574 -8.267 -9.186 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.030 -8.841 -9.520 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.473 -8.745 -10.349 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.548 -10.416 -2.453 1.00 0.00 N ATOM 1315 CA GLU A 84 -0.449 -10.083 -1.560 1.00 0.00 C ATOM 1316 C GLU A 84 -0.334 -8.569 -1.492 1.00 0.00 C ATOM 1317 O GLU A 84 -0.973 -7.846 -2.254 1.00 0.00 O ATOM 1318 CB GLU A 84 0.875 -10.689 -2.018 1.00 0.00 C ATOM 1319 CG GLU A 84 1.202 -11.895 -1.144 1.00 0.00 C ATOM 1320 CD GLU A 84 2.454 -12.608 -1.652 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.493 -11.921 -1.779 1.00 0.00 O ATOM 1322 OE2 GLU A 84 2.366 -13.832 -1.909 1.00 0.00 O ATOM 0 H GLU A 84 -2.301 -9.732 -2.385 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.661 -10.502 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.809 -10.990 -3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.671 -9.948 -1.949 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.354 -11.573 -0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.360 -12.587 -1.141 1.00 0.00 H new ATOM 1329 N LEU A 85 0.492 -8.097 -0.568 1.00 0.00 N ATOM 1330 CA LEU A 85 0.895 -6.709 -0.494 1.00 0.00 C ATOM 1331 C LEU A 85 2.415 -6.702 -0.443 1.00 0.00 C ATOM 1332 O LEU A 85 3.009 -7.754 -0.237 1.00 0.00 O ATOM 1333 CB LEU A 85 0.248 -6.095 0.754 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.420 -4.741 0.522 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.608 -3.648 0.271 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.383 -4.770 -0.664 1.00 0.00 C ATOM 0 H LEU A 85 0.904 -8.681 0.160 1.00 0.00 H new ATOM 0 HA LEU A 85 0.574 -6.114 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.496 -6.791 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.011 -5.982 1.525 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.978 -4.525 1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.098 -2.698 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.268 -3.564 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.196 -3.898 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.834 -3.786 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.838 -5.038 -1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.165 -5.507 -0.480 1.00 0.00 H new ATOM 1348 N ARG A 86 3.053 -5.549 -0.625 1.00 0.00 N ATOM 1349 CA ARG A 86 4.504 -5.476 -0.570 1.00 0.00 C ATOM 1350 C ARG A 86 4.896 -4.209 0.153 1.00 0.00 C ATOM 1351 O ARG A 86 4.359 -3.140 -0.130 1.00 0.00 O ATOM 1352 CB ARG A 86 5.082 -5.488 -1.985 1.00 0.00 C ATOM 1353 CG ARG A 86 4.769 -6.793 -2.721 1.00 0.00 C ATOM 1354 CD ARG A 86 5.478 -7.970 -2.050 1.00 0.00 C ATOM 1355 NE ARG A 86 5.001 -9.261 -2.572 1.00 0.00 N ATOM 1356 CZ ARG A 86 5.441 -9.851 -3.687 1.00 0.00 C ATOM 1357 NH1 ARG A 86 6.347 -9.262 -4.462 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.960 -11.043 -4.024 1.00 0.00 N ATOM 0 H ARG A 86 2.589 -4.660 -0.810 1.00 0.00 H new ATOM 0 HA ARG A 86 4.902 -6.338 -0.035 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.677 -4.648 -2.549 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.162 -5.349 -1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.693 -6.965 -2.727 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.085 -6.716 -3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.553 -7.887 -2.211 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.312 -7.929 -0.973 1.00 0.00 H new ATOM 0 HE ARG A 86 4.277 -9.744 -2.040 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.717 -8.346 -4.208 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.672 -9.726 -5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.263 -11.497 -3.434 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.288 -11.504 -4.873 1.00 0.00 H new ATOM 1372 N VAL A 87 5.834 -4.339 1.087 1.00 0.00 N ATOM 1373 CA VAL A 87 6.235 -3.221 1.912 1.00 0.00 C ATOM 1374 C VAL A 87 7.747 -3.205 2.081 1.00 0.00 C ATOM 1375 O VAL A 87 8.372 -4.227 2.361 1.00 0.00 O ATOM 1376 CB VAL A 87 5.531 -3.316 3.264 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.734 -1.992 3.991 1.00 0.00 C ATOM 1378 CG2 VAL A 87 4.041 -3.641 3.130 1.00 0.00 C ATOM 0 H VAL A 87 6.326 -5.210 1.286 1.00 0.00 H new ATOM 0 HA VAL A 87 5.946 -2.287 1.430 1.00 0.00 H new ATOM 0 HB VAL A 87 5.965 -4.139 3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.241 -2.031 4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.800 -1.814 4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.307 -1.183 3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.590 -3.697 4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.549 -2.860 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.922 -4.598 2.623 1.00 0.00 H new ATOM 1388 N GLN A 88 8.319 -2.014 1.901 1.00 0.00 N ATOM 1389 CA GLN A 88 9.755 -1.791 1.949 1.00 0.00 C ATOM 1390 C GLN A 88 10.047 -0.294 2.015 1.00 0.00 C ATOM 1391 O GLN A 88 9.290 0.519 1.491 1.00 0.00 O ATOM 1392 CB GLN A 88 10.405 -2.407 0.704 1.00 0.00 C ATOM 1393 CG GLN A 88 9.668 -2.032 -0.589 1.00 0.00 C ATOM 1394 CD GLN A 88 10.400 -2.534 -1.828 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.602 -2.793 -1.800 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.676 -2.672 -2.934 1.00 0.00 N ATOM 0 H GLN A 88 7.784 -1.166 1.715 1.00 0.00 H new ATOM 0 HA GLN A 88 10.169 -2.264 2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.441 -2.076 0.637 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.423 -3.492 0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.662 -2.451 -0.568 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.561 -0.949 -0.645 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.681 -2.448 -2.923 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.116 -3.001 -3.793 1.00 0.00 H new ATOM 1405 N MET A 89 11.147 0.075 2.661 1.00 0.00 N ATOM 1406 CA MET A 89 11.600 1.454 2.738 1.00 0.00 C ATOM 1407 C MET A 89 11.694 2.075 1.344 1.00 0.00 C ATOM 1408 O MET A 89 12.136 1.431 0.392 1.00 0.00 O ATOM 1409 CB MET A 89 12.942 1.481 3.465 1.00 0.00 C ATOM 1410 CG MET A 89 12.699 1.154 4.937 1.00 0.00 C ATOM 1411 SD MET A 89 12.035 2.560 5.865 1.00 0.00 S ATOM 1412 CE MET A 89 11.295 1.671 7.260 1.00 0.00 C ATOM 0 H MET A 89 11.754 -0.583 3.150 1.00 0.00 H new ATOM 0 HA MET A 89 10.881 2.054 3.296 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.627 0.757 3.024 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.407 2.462 3.366 1.00 0.00 H new ATOM 0 HG2 MET A 89 12.005 0.316 5.009 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.635 0.833 5.393 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.286 2.316 8.139 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.274 1.385 7.009 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.880 0.776 7.473 1.00 0.00 H new ATOM 1422 N ALA A 90 11.274 3.339 1.235 1.00 0.00 N ATOM 1423 CA ALA A 90 11.244 4.090 -0.013 1.00 0.00 C ATOM 1424 C ALA A 90 12.629 4.592 -0.418 1.00 0.00 C ATOM 1425 O ALA A 90 12.751 5.294 -1.420 1.00 0.00 O ATOM 1426 CB ALA A 90 10.265 5.258 0.139 1.00 0.00 C ATOM 0 H ALA A 90 10.938 3.877 2.034 1.00 0.00 H new ATOM 0 HA ALA A 90 10.912 3.425 -0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.233 5.829 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.270 4.872 0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.594 5.905 0.952 1.00 0.00 H new