USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 713 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 89 LYS NZ :NH3+ 174:sc= -0.0726 (180deg=-0.0527) USER MOD Set 1.2: A 92 MET CE :methyl -146:sc= -1.91 (180deg=-3.89!) USER MOD Set 2.1: A 77 THR OG1 : rot 124:sc= 1.46 USER MOD Set 2.2: A 79 SER OG : rot 180:sc= 0.81 USER MOD Set 3.1: A 39 GLN : amide:sc= 0.75 K(o=2,f=-4.1!) USER MOD Set 3.2: A 54 SER OG : rot 132:sc= 1.2 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -149:sc= -0.283 USER MOD Single : A 16 LYS NZ :NH3+ -142:sc= 0.328 (180deg=0.137) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0681 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 150:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -1.73 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 24:sc= 0.0562 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= -0.0402 (180deg=-0.33) USER MOD Single : A 83 THR OG1 : rot 180:sc=-0.00599 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 98 GLN : amide:sc= -1.53! K(o=-1.5!,f=-0.88) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl -162:sc= 0 (180deg=-0.0777) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HE2:sc= -0.246 X(o=-0.25,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 110 N LEU A 10 -3.526 6.326 6.354 1.00 0.00 N ATOM 111 CA LEU A 10 -2.919 5.000 6.310 1.00 0.00 C ATOM 112 C LEU A 10 -1.455 5.084 5.892 1.00 0.00 C ATOM 113 O LEU A 10 -1.145 5.247 4.711 1.00 0.00 O ATOM 114 CB LEU A 10 -3.687 4.098 5.342 1.00 0.00 C ATOM 115 CG LEU A 10 -3.032 2.756 5.012 1.00 0.00 C ATOM 116 CD1 LEU A 10 -3.213 1.777 6.161 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.608 2.183 3.725 1.00 0.00 C ATOM 0 HA LEU A 10 -2.967 4.572 7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.674 3.904 5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.839 4.644 4.411 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.964 2.921 4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.741 0.828 5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.752 2.183 7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.276 1.617 6.339 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.130 1.228 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.681 2.033 3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.426 2.877 2.904 1.00 0.00 H new ATOM 129 N CYS A 11 -0.559 4.970 6.867 1.00 0.00 N ATOM 130 CA CYS A 11 0.873 5.032 6.599 1.00 0.00 C ATOM 131 C CYS A 11 1.636 4.062 7.495 1.00 0.00 C ATOM 132 O CYS A 11 1.189 3.733 8.593 1.00 0.00 O ATOM 133 CB CYS A 11 1.391 6.456 6.811 1.00 0.00 C ATOM 134 SG CYS A 11 1.192 7.071 8.500 1.00 0.00 S ATOM 0 H CYS A 11 -0.799 4.834 7.849 1.00 0.00 H new ATOM 0 HA CYS A 11 1.036 4.744 5.560 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.448 6.490 6.546 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.869 7.126 6.128 1.00 0.00 H new ATOM 0 HG CYS A 11 1.661 8.281 8.579 1.00 0.00 H new ATOM 140 N GLY A 12 2.790 3.606 7.018 1.00 0.00 N ATOM 141 CA GLY A 12 3.596 2.677 7.788 1.00 0.00 C ATOM 142 C GLY A 12 4.805 2.183 7.019 1.00 0.00 C ATOM 143 O GLY A 12 4.742 1.991 5.804 1.00 0.00 O ATOM 0 H GLY A 12 3.181 3.863 6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.927 3.162 8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.983 1.825 8.081 1.00 0.00 H new ATOM 147 N TYR A 13 5.911 1.979 7.726 1.00 0.00 N ATOM 148 CA TYR A 13 7.142 1.509 7.102 1.00 0.00 C ATOM 149 C TYR A 13 7.024 0.041 6.701 1.00 0.00 C ATOM 150 O TYR A 13 6.338 -0.741 7.360 1.00 0.00 O ATOM 151 CB TYR A 13 8.325 1.696 8.053 1.00 0.00 C ATOM 152 CG TYR A 13 8.796 3.129 8.160 1.00 0.00 C ATOM 153 CD1 TYR A 13 8.206 4.009 9.058 1.00 0.00 C ATOM 154 CD2 TYR A 13 9.829 3.602 7.361 1.00 0.00 C ATOM 155 CE1 TYR A 13 8.633 5.319 9.159 1.00 0.00 C ATOM 156 CE2 TYR A 13 10.263 4.910 7.456 1.00 0.00 C ATOM 157 CZ TYR A 13 9.662 5.765 8.356 1.00 0.00 C ATOM 158 OH TYR A 13 10.090 7.069 8.452 1.00 0.00 O ATOM 0 H TYR A 13 5.980 2.132 8.732 1.00 0.00 H new ATOM 0 HA TYR A 13 7.311 2.100 6.202 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.043 1.340 9.044 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.154 1.074 7.715 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.400 3.663 9.688 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.301 2.936 6.654 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.164 5.990 9.863 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.069 5.261 6.829 1.00 0.00 H new ATOM 0 HH TYR A 13 10.822 7.220 7.818 1.00 0.00 H new ATOM 168 N LEU A 14 7.698 -0.325 5.617 1.00 0.00 N ATOM 169 CA LEU A 14 7.671 -1.699 5.127 1.00 0.00 C ATOM 170 C LEU A 14 9.028 -2.102 4.559 1.00 0.00 C ATOM 171 O LEU A 14 9.894 -1.256 4.334 1.00 0.00 O ATOM 172 CB LEU A 14 6.590 -1.858 4.056 1.00 0.00 C ATOM 173 CG LEU A 14 5.147 -1.672 4.526 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.180 -1.858 3.368 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.824 -2.641 5.654 1.00 0.00 C ATOM 0 H LEU A 14 8.270 0.310 5.060 1.00 0.00 H new ATOM 0 HA LEU A 14 7.441 -2.354 5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.787 -1.140 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.683 -2.852 3.619 1.00 0.00 H new ATOM 0 HG LEU A 14 5.037 -0.656 4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.158 -1.722 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.396 -1.124 2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.291 -2.862 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.793 -2.494 5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.952 -3.665 5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.495 -2.459 6.493 1.00 0.00 H new ATOM 187 N SER A 15 9.206 -3.399 4.328 1.00 0.00 N ATOM 188 CA SER A 15 10.459 -3.914 3.788 1.00 0.00 C ATOM 189 C SER A 15 10.346 -4.148 2.285 1.00 0.00 C ATOM 190 O SER A 15 9.696 -5.093 1.838 1.00 0.00 O ATOM 191 CB SER A 15 10.844 -5.217 4.491 1.00 0.00 C ATOM 192 OG SER A 15 11.577 -4.960 5.676 1.00 0.00 O ATOM 0 H SER A 15 8.499 -4.112 4.506 1.00 0.00 H new ATOM 0 HA SER A 15 11.236 -3.171 3.965 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.944 -5.783 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.439 -5.835 3.818 1.00 0.00 H new ATOM 0 HG SER A 15 12.206 -5.694 5.837 1.00 0.00 H new ATOM 198 N LYS A 16 10.985 -3.280 1.508 1.00 0.00 N ATOM 199 CA LYS A 16 10.960 -3.390 0.054 1.00 0.00 C ATOM 200 C LYS A 16 11.800 -4.573 -0.416 1.00 0.00 C ATOM 201 O LYS A 16 12.985 -4.672 -0.097 1.00 0.00 O ATOM 202 CB LYS A 16 11.476 -2.098 -0.585 1.00 0.00 C ATOM 203 CG LYS A 16 11.591 -2.172 -2.097 1.00 0.00 C ATOM 204 CD LYS A 16 10.319 -1.695 -2.777 1.00 0.00 C ATOM 205 CE LYS A 16 9.356 -2.845 -3.029 1.00 0.00 C ATOM 206 NZ LYS A 16 9.780 -3.681 -4.185 1.00 0.00 N ATOM 0 H LYS A 16 11.527 -2.492 1.861 1.00 0.00 H new ATOM 0 HA LYS A 16 9.928 -3.554 -0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.808 -1.279 -0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.454 -1.860 -0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.432 -1.564 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.802 -3.198 -2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.834 -0.942 -2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.569 -1.215 -3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.291 -3.467 -2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.358 -2.449 -3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.942 -3.980 -4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.408 -3.127 -4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.287 -4.520 -3.839 1.00 0.00 H new ATOM 220 N PHE A 17 11.179 -5.468 -1.178 1.00 0.00 N ATOM 221 CA PHE A 17 11.870 -6.644 -1.693 1.00 0.00 C ATOM 222 C PHE A 17 12.335 -6.417 -3.128 1.00 0.00 C ATOM 223 O PHE A 17 11.534 -6.113 -4.011 1.00 0.00 O ATOM 224 CB PHE A 17 10.954 -7.868 -1.630 1.00 0.00 C ATOM 225 CG PHE A 17 11.697 -9.173 -1.621 1.00 0.00 C ATOM 226 CD1 PHE A 17 12.444 -9.553 -0.517 1.00 0.00 C ATOM 227 CD2 PHE A 17 11.648 -10.021 -2.716 1.00 0.00 C ATOM 228 CE1 PHE A 17 13.129 -10.753 -0.507 1.00 0.00 C ATOM 229 CE2 PHE A 17 12.331 -11.222 -2.711 1.00 0.00 C ATOM 230 CZ PHE A 17 13.072 -11.589 -1.605 1.00 0.00 C ATOM 0 H PHE A 17 10.199 -5.401 -1.452 1.00 0.00 H new ATOM 0 HA PHE A 17 12.746 -6.821 -1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.337 -7.804 -0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.278 -7.850 -2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 17 12.491 -8.904 0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.069 -9.740 -3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 17 13.709 -11.037 0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.285 -11.873 -3.571 1.00 0.00 H new ATOM 0 HZ PHE A 17 13.606 -12.528 -1.599 1.00 0.00 H new ATOM 347 N TRP A 26 15.298 -7.897 1.290 1.00 0.00 N ATOM 348 CA TRP A 26 14.450 -6.904 1.940 1.00 0.00 C ATOM 349 C TRP A 26 15.214 -5.606 2.177 1.00 0.00 C ATOM 350 O TRP A 26 16.437 -5.612 2.324 1.00 0.00 O ATOM 351 CB TRP A 26 13.919 -7.447 3.268 1.00 0.00 C ATOM 352 CG TRP A 26 13.094 -8.689 3.114 1.00 0.00 C ATOM 353 CD1 TRP A 26 13.472 -9.966 3.415 1.00 0.00 C ATOM 354 CD2 TRP A 26 11.752 -8.771 2.620 1.00 0.00 C ATOM 355 NE1 TRP A 26 12.446 -10.838 3.137 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.380 -10.129 2.650 1.00 0.00 C ATOM 357 CE3 TRP A 26 10.829 -7.829 2.158 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.125 -10.566 2.234 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.584 -8.264 1.745 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.241 -9.622 1.786 1.00 0.00 C ATOM 0 HA TRP A 26 13.609 -6.693 1.279 1.00 0.00 H new ATOM 0 HB2 TRP A 26 14.760 -7.658 3.929 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.318 -6.678 3.753 1.00 0.00 H new ATOM 0 HD1 TRP A 26 14.435 -10.249 3.813 1.00 0.00 H new ATOM 0 HE1 TRP A 26 12.474 -11.849 3.272 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.084 -6.780 2.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.859 -11.612 2.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.863 -7.545 1.385 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.259 -9.930 1.457 1.00 0.00 H new ATOM 371 N LYS A 27 14.487 -4.495 2.214 1.00 0.00 N ATOM 372 CA LYS A 27 15.097 -3.188 2.435 1.00 0.00 C ATOM 373 C LYS A 27 14.150 -2.269 3.200 1.00 0.00 C ATOM 374 O LYS A 27 12.945 -2.256 2.949 1.00 0.00 O ATOM 375 CB LYS A 27 15.478 -2.548 1.098 1.00 0.00 C ATOM 376 CG LYS A 27 16.316 -1.289 1.243 1.00 0.00 C ATOM 377 CD LYS A 27 17.082 -0.980 -0.031 1.00 0.00 C ATOM 378 CE LYS A 27 18.390 -0.263 0.265 1.00 0.00 C ATOM 379 NZ LYS A 27 19.199 -0.052 -0.967 1.00 0.00 N ATOM 0 H LYS A 27 13.474 -4.473 2.094 1.00 0.00 H new ATOM 0 HA LYS A 27 15.998 -3.330 3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.029 -3.275 0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.568 -2.308 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.670 -0.448 1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.016 -1.410 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.287 -1.907 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.467 -0.362 -0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.179 0.700 0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.968 -0.844 0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.082 0.440 -0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.423 -0.972 -1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.658 0.524 -1.643 1.00 0.00 H new ATOM 393 N SER A 28 14.704 -1.500 4.132 1.00 0.00 N ATOM 394 CA SER A 28 13.908 -0.579 4.935 1.00 0.00 C ATOM 395 C SER A 28 13.456 0.616 4.102 1.00 0.00 C ATOM 396 O SER A 28 14.248 1.506 3.791 1.00 0.00 O ATOM 397 CB SER A 28 14.713 -0.097 6.144 1.00 0.00 C ATOM 398 OG SER A 28 14.765 -1.092 7.151 1.00 0.00 O ATOM 0 H SER A 28 15.701 -1.496 4.350 1.00 0.00 H new ATOM 0 HA SER A 28 13.024 -1.111 5.285 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.725 0.162 5.832 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.262 0.810 6.547 1.00 0.00 H new ATOM 0 HG SER A 28 15.286 -0.760 7.912 1.00 0.00 H new ATOM 404 N ARG A 29 12.176 0.629 3.744 1.00 0.00 N ATOM 405 CA ARG A 29 11.617 1.714 2.946 1.00 0.00 C ATOM 406 C ARG A 29 10.376 2.297 3.615 1.00 0.00 C ATOM 407 O ARG A 29 9.660 1.599 4.334 1.00 0.00 O ATOM 408 CB ARG A 29 11.266 1.215 1.543 1.00 0.00 C ATOM 409 CG ARG A 29 11.364 2.289 0.472 1.00 0.00 C ATOM 410 CD ARG A 29 12.812 2.639 0.165 1.00 0.00 C ATOM 411 NE ARG A 29 13.543 1.504 -0.391 1.00 0.00 N ATOM 412 CZ ARG A 29 13.397 1.076 -1.640 1.00 0.00 C ATOM 413 NH1 ARG A 29 12.551 1.685 -2.458 1.00 0.00 N ATOM 414 NH2 ARG A 29 14.099 0.036 -2.072 1.00 0.00 N ATOM 0 H ARG A 29 11.507 -0.099 3.994 1.00 0.00 H new ATOM 0 HA ARG A 29 12.369 2.499 2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.932 0.392 1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.252 0.814 1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.871 1.944 -0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.835 3.183 0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.843 3.470 -0.540 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.305 2.976 1.077 1.00 0.00 H new ATOM 0 HE ARG A 29 14.202 1.013 0.213 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.010 2.485 -2.129 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.441 1.354 -3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.751 -0.435 -1.445 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.987 -0.292 -3.031 1.00 0.00 H new ATOM 428 N TRP A 30 10.127 3.579 3.374 1.00 0.00 N ATOM 429 CA TRP A 30 8.973 4.256 3.953 1.00 0.00 C ATOM 430 C TRP A 30 7.793 4.245 2.987 1.00 0.00 C ATOM 431 O TRP A 30 7.902 4.713 1.854 1.00 0.00 O ATOM 432 CB TRP A 30 9.333 5.697 4.321 1.00 0.00 C ATOM 433 CG TRP A 30 8.135 6.567 4.553 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.792 7.691 3.857 1.00 0.00 C ATOM 435 CD2 TRP A 30 7.124 6.386 5.551 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.628 8.220 4.362 1.00 0.00 N ATOM 437 CE2 TRP A 30 6.198 7.437 5.401 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.910 5.437 6.554 1.00 0.00 C ATOM 439 CZ2 TRP A 30 5.078 7.564 6.218 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.798 5.565 7.365 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.893 6.621 7.193 1.00 0.00 C ATOM 0 H TRP A 30 10.709 4.171 2.781 1.00 0.00 H new ATOM 0 HA TRP A 30 8.684 3.719 4.856 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.949 5.692 5.220 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.937 6.128 3.523 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.353 8.104 3.031 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.160 9.059 4.019 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.601 4.619 6.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.380 8.378 6.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.624 4.838 8.145 1.00 0.00 H new ATOM 0 HH2 TRP A 30 4.033 6.692 7.842 1.00 0.00 H new ATOM 452 N PHE A 31 6.667 3.708 3.443 1.00 0.00 N ATOM 453 CA PHE A 31 5.466 3.635 2.618 1.00 0.00 C ATOM 454 C PHE A 31 4.357 4.510 3.193 1.00 0.00 C ATOM 455 O PHE A 31 4.174 4.581 4.408 1.00 0.00 O ATOM 456 CB PHE A 31 4.984 2.187 2.508 1.00 0.00 C ATOM 457 CG PHE A 31 5.797 1.354 1.559 1.00 0.00 C ATOM 458 CD1 PHE A 31 7.000 0.797 1.961 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.358 1.128 0.264 1.00 0.00 C ATOM 460 CE1 PHE A 31 7.750 0.031 1.089 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.103 0.362 -0.612 1.00 0.00 C ATOM 462 CZ PHE A 31 7.301 -0.188 -0.199 1.00 0.00 C ATOM 0 H PHE A 31 6.560 3.317 4.379 1.00 0.00 H new ATOM 0 HA PHE A 31 5.716 4.004 1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.011 1.728 3.496 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.944 2.183 2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.356 0.963 2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.422 1.556 -0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.687 -0.396 1.414 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.749 0.193 -1.618 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.885 -0.788 -0.881 1.00 0.00 H new ATOM 472 N PHE A 32 3.620 5.177 2.310 1.00 0.00 N ATOM 473 CA PHE A 32 2.529 6.050 2.729 1.00 0.00 C ATOM 474 C PHE A 32 1.472 6.163 1.635 1.00 0.00 C ATOM 475 O PHE A 32 1.796 6.325 0.458 1.00 0.00 O ATOM 476 CB PHE A 32 3.066 7.439 3.081 1.00 0.00 C ATOM 477 CG PHE A 32 3.456 8.253 1.881 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.489 8.859 1.095 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.789 8.412 1.539 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.845 9.609 -0.011 1.00 0.00 C ATOM 481 CE2 PHE A 32 5.151 9.161 0.435 1.00 0.00 C ATOM 482 CZ PHE A 32 4.177 9.759 -0.341 1.00 0.00 C ATOM 0 H PHE A 32 3.758 5.130 1.301 1.00 0.00 H new ATOM 0 HA PHE A 32 2.066 5.612 3.613 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.307 7.980 3.646 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.932 7.330 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.446 8.744 1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.554 7.945 2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.082 10.077 -0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.194 9.279 0.179 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.457 10.343 -1.205 1.00 0.00 H new ATOM 492 N TYR A 33 0.207 6.076 2.031 1.00 0.00 N ATOM 493 CA TYR A 33 -0.898 6.165 1.084 1.00 0.00 C ATOM 494 C TYR A 33 -1.203 7.620 0.739 1.00 0.00 C ATOM 495 O TYR A 33 -0.931 8.527 1.526 1.00 0.00 O ATOM 496 CB TYR A 33 -2.146 5.493 1.660 1.00 0.00 C ATOM 497 CG TYR A 33 -3.377 5.663 0.799 1.00 0.00 C ATOM 498 CD1 TYR A 33 -3.678 4.751 -0.205 1.00 0.00 C ATOM 499 CD2 TYR A 33 -4.239 6.736 0.989 1.00 0.00 C ATOM 500 CE1 TYR A 33 -4.801 4.903 -0.995 1.00 0.00 C ATOM 501 CE2 TYR A 33 -5.366 6.895 0.206 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.642 5.976 -0.785 1.00 0.00 C ATOM 503 OH TYR A 33 -6.763 6.131 -1.569 1.00 0.00 O ATOM 0 H TYR A 33 -0.079 5.944 3.001 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.604 5.648 0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.948 4.429 1.790 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.346 5.904 2.650 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.023 3.909 -0.371 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.024 7.459 1.762 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.019 4.186 -1.773 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.027 7.734 0.369 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.248 6.936 -1.291 1.00 0.00 H new ATOM 513 N ASP A 34 -1.770 7.834 -0.443 1.00 0.00 N ATOM 514 CA ASP A 34 -2.115 9.177 -0.894 1.00 0.00 C ATOM 515 C ASP A 34 -3.605 9.280 -1.205 1.00 0.00 C ATOM 516 O ASP A 34 -4.075 8.761 -2.217 1.00 0.00 O ATOM 517 CB ASP A 34 -1.297 9.549 -2.131 1.00 0.00 C ATOM 518 CG ASP A 34 -1.032 11.038 -2.224 1.00 0.00 C ATOM 519 OD1 ASP A 34 -0.268 11.558 -1.384 1.00 0.00 O ATOM 520 OD2 ASP A 34 -1.589 11.685 -3.136 1.00 0.00 O ATOM 0 H ASP A 34 -2.001 7.094 -1.106 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.881 9.874 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.347 9.015 -2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.827 9.221 -3.025 1.00 0.00 H new ATOM 525 N GLU A 35 -4.343 9.953 -0.326 1.00 0.00 N ATOM 526 CA GLU A 35 -5.780 10.121 -0.507 1.00 0.00 C ATOM 527 C GLU A 35 -6.077 11.298 -1.432 1.00 0.00 C ATOM 528 O GLU A 35 -7.177 11.851 -1.417 1.00 0.00 O ATOM 529 CB GLU A 35 -6.464 10.336 0.844 1.00 0.00 C ATOM 530 CG GLU A 35 -5.750 11.336 1.737 1.00 0.00 C ATOM 531 CD GLU A 35 -4.720 10.683 2.638 1.00 0.00 C ATOM 532 OE1 GLU A 35 -4.277 9.561 2.318 1.00 0.00 O ATOM 533 OE2 GLU A 35 -4.357 11.296 3.664 1.00 0.00 O ATOM 0 H GLU A 35 -3.970 10.390 0.517 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.172 9.213 -0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.485 10.678 0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.530 9.380 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.260 12.087 1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.484 11.859 2.350 1.00 0.00 H new ATOM 540 N ARG A 36 -5.089 11.675 -2.237 1.00 0.00 N ATOM 541 CA ARG A 36 -5.243 12.787 -3.167 1.00 0.00 C ATOM 542 C ARG A 36 -5.446 12.279 -4.592 1.00 0.00 C ATOM 543 O ARG A 36 -6.235 12.836 -5.355 1.00 0.00 O ATOM 544 CB ARG A 36 -4.018 13.702 -3.110 1.00 0.00 C ATOM 545 CG ARG A 36 -3.673 14.169 -1.706 1.00 0.00 C ATOM 546 CD ARG A 36 -2.705 15.342 -1.731 1.00 0.00 C ATOM 547 NE ARG A 36 -2.873 16.215 -0.573 1.00 0.00 N ATOM 548 CZ ARG A 36 -2.086 17.254 -0.316 1.00 0.00 C ATOM 549 NH1 ARG A 36 -1.083 17.549 -1.132 1.00 0.00 N ATOM 550 NH2 ARG A 36 -2.303 18.002 0.759 1.00 0.00 N ATOM 0 H ARG A 36 -4.173 11.227 -2.264 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.125 13.355 -2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.161 13.175 -3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.196 14.573 -3.740 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.585 14.459 -1.184 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.233 13.345 -1.145 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.682 14.967 -1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.857 15.918 -2.644 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.636 16.016 0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.914 16.977 -1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.481 18.347 -0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.074 17.779 1.388 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.698 18.800 0.956 1.00 0.00 H new ATOM 564 N LYS A 37 -4.727 11.218 -4.944 1.00 0.00 N ATOM 565 CA LYS A 37 -4.827 10.633 -6.276 1.00 0.00 C ATOM 566 C LYS A 37 -5.177 9.150 -6.194 1.00 0.00 C ATOM 567 O LYS A 37 -5.216 8.455 -7.210 1.00 0.00 O ATOM 568 CB LYS A 37 -3.512 10.816 -7.036 1.00 0.00 C ATOM 569 CG LYS A 37 -3.087 12.268 -7.175 1.00 0.00 C ATOM 570 CD LYS A 37 -1.852 12.406 -8.049 1.00 0.00 C ATOM 571 CE LYS A 37 -1.078 13.675 -7.724 1.00 0.00 C ATOM 572 NZ LYS A 37 -1.716 14.882 -8.319 1.00 0.00 N ATOM 0 H LYS A 37 -4.068 10.746 -4.325 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.624 11.148 -6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.725 10.263 -6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.612 10.379 -8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.904 12.848 -7.604 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.884 12.685 -6.188 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.207 11.539 -7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.147 12.417 -9.098 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.014 13.794 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.057 13.583 -8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.159 15.725 -8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.755 14.780 -9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.681 14.985 -7.945 1.00 0.00 H new ATOM 586 N CYS A 38 -5.432 8.673 -4.981 1.00 0.00 N ATOM 587 CA CYS A 38 -5.779 7.273 -4.768 1.00 0.00 C ATOM 588 C CYS A 38 -4.635 6.358 -5.191 1.00 0.00 C ATOM 589 O CYS A 38 -4.847 5.361 -5.881 1.00 0.00 O ATOM 590 CB CYS A 38 -7.047 6.916 -5.545 1.00 0.00 C ATOM 591 SG CYS A 38 -8.560 7.627 -4.856 1.00 0.00 S ATOM 0 H CYS A 38 -5.405 9.235 -4.130 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.961 7.128 -3.703 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.936 7.254 -6.575 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.149 5.831 -5.574 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.577 7.271 -5.583 1.00 0.00 H new ATOM 597 N GLN A 39 -3.421 6.706 -4.774 1.00 0.00 N ATOM 598 CA GLN A 39 -2.243 5.916 -5.112 1.00 0.00 C ATOM 599 C GLN A 39 -1.324 5.765 -3.904 1.00 0.00 C ATOM 600 O GLN A 39 -1.257 6.647 -3.047 1.00 0.00 O ATOM 601 CB GLN A 39 -1.482 6.567 -6.268 1.00 0.00 C ATOM 602 CG GLN A 39 -1.959 6.119 -7.640 1.00 0.00 C ATOM 603 CD GLN A 39 -0.855 6.141 -8.678 1.00 0.00 C ATOM 604 OE1 GLN A 39 0.313 5.909 -8.364 1.00 0.00 O ATOM 605 NE2 GLN A 39 -1.219 6.420 -9.925 1.00 0.00 N ATOM 0 H GLN A 39 -3.228 7.529 -4.202 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.577 4.924 -5.418 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.582 7.650 -6.194 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.421 6.337 -6.169 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.364 5.110 -7.568 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.773 6.767 -7.967 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.198 6.606 -10.141 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.519 6.448 -10.666 1.00 0.00 H new ATOM 614 N LEU A 40 -0.617 4.642 -3.842 1.00 0.00 N ATOM 615 CA LEU A 40 0.299 4.374 -2.739 1.00 0.00 C ATOM 616 C LEU A 40 1.722 4.785 -3.100 1.00 0.00 C ATOM 617 O LEU A 40 2.313 4.252 -4.040 1.00 0.00 O ATOM 618 CB LEU A 40 0.262 2.890 -2.368 1.00 0.00 C ATOM 619 CG LEU A 40 1.157 2.468 -1.202 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.578 2.954 0.117 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.332 0.956 -1.186 1.00 0.00 C ATOM 0 H LEU A 40 -0.661 3.902 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.022 4.964 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.766 2.622 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.545 2.309 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 40 2.137 2.926 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.228 2.645 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.504 4.041 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.414 2.525 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.972 0.673 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.358 0.478 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.791 0.633 -2.120 1.00 0.00 H new ATOM 633 N TYR A 41 2.268 5.734 -2.348 1.00 0.00 N ATOM 634 CA TYR A 41 3.622 6.217 -2.589 1.00 0.00 C ATOM 635 C TYR A 41 4.556 5.809 -1.454 1.00 0.00 C ATOM 636 O TYR A 41 4.142 5.709 -0.299 1.00 0.00 O ATOM 637 CB TYR A 41 3.624 7.738 -2.744 1.00 0.00 C ATOM 638 CG TYR A 41 2.770 8.232 -3.890 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.384 8.156 -3.833 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.350 8.774 -5.031 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.600 8.605 -4.878 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.574 9.226 -6.080 1.00 0.00 C ATOM 643 CZ TYR A 41 1.200 9.139 -6.000 1.00 0.00 C ATOM 644 OH TYR A 41 0.423 9.588 -7.042 1.00 0.00 O ATOM 0 H TYR A 41 1.793 6.184 -1.566 1.00 0.00 H new ATOM 0 HA TYR A 41 3.982 5.764 -3.513 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.270 8.190 -1.817 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.649 8.078 -2.893 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.911 7.739 -2.956 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.426 8.843 -5.098 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.476 8.538 -4.817 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.041 9.646 -6.959 1.00 0.00 H new ATOM 0 HH TYR A 41 1.000 9.935 -7.754 1.00 0.00 H new ATOM 654 N TYR A 42 5.820 5.575 -1.792 1.00 0.00 N ATOM 655 CA TYR A 42 6.814 5.176 -0.803 1.00 0.00 C ATOM 656 C TYR A 42 8.187 5.743 -1.150 1.00 0.00 C ATOM 657 O TYR A 42 8.586 5.761 -2.314 1.00 0.00 O ATOM 658 CB TYR A 42 6.888 3.651 -0.710 1.00 0.00 C ATOM 659 CG TYR A 42 7.524 3.001 -1.918 1.00 0.00 C ATOM 660 CD1 TYR A 42 8.888 3.122 -2.159 1.00 0.00 C ATOM 661 CD2 TYR A 42 6.762 2.268 -2.819 1.00 0.00 C ATOM 662 CE1 TYR A 42 9.473 2.531 -3.262 1.00 0.00 C ATOM 663 CE2 TYR A 42 7.340 1.672 -3.924 1.00 0.00 C ATOM 664 CZ TYR A 42 8.695 1.807 -4.141 1.00 0.00 C ATOM 665 OH TYR A 42 9.274 1.216 -5.241 1.00 0.00 O ATOM 0 H TYR A 42 6.180 5.655 -2.743 1.00 0.00 H new ATOM 0 HA TYR A 42 6.509 5.578 0.163 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.454 3.377 0.180 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.881 3.254 -0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.500 3.688 -1.472 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.700 2.162 -2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.534 2.635 -3.435 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.734 1.104 -4.614 1.00 0.00 H new ATOM 0 HH TYR A 42 8.777 0.405 -5.477 1.00 0.00 H new ATOM 675 N SER A 43 8.904 6.206 -0.131 1.00 0.00 N ATOM 676 CA SER A 43 10.231 6.777 -0.328 1.00 0.00 C ATOM 677 C SER A 43 11.229 6.186 0.664 1.00 0.00 C ATOM 678 O SER A 43 10.895 5.289 1.438 1.00 0.00 O ATOM 679 CB SER A 43 10.182 8.298 -0.175 1.00 0.00 C ATOM 680 OG SER A 43 9.370 8.675 0.924 1.00 0.00 O ATOM 0 H SER A 43 8.588 6.197 0.839 1.00 0.00 H new ATOM 0 HA SER A 43 10.560 6.531 -1.338 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.191 8.685 -0.035 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.793 8.746 -1.089 1.00 0.00 H new ATOM 0 HG SER A 43 9.357 9.652 1.001 1.00 0.00 H new ATOM 686 N ARG A 44 12.456 6.697 0.634 1.00 0.00 N ATOM 687 CA ARG A 44 13.504 6.220 1.528 1.00 0.00 C ATOM 688 C ARG A 44 13.159 6.528 2.983 1.00 0.00 C ATOM 689 O ARG A 44 13.324 5.684 3.864 1.00 0.00 O ATOM 690 CB ARG A 44 14.845 6.860 1.164 1.00 0.00 C ATOM 691 CG ARG A 44 15.501 6.244 -0.061 1.00 0.00 C ATOM 692 CD ARG A 44 15.996 4.835 0.222 1.00 0.00 C ATOM 693 NE ARG A 44 17.075 4.442 -0.681 1.00 0.00 N ATOM 694 CZ ARG A 44 16.872 3.924 -1.887 1.00 0.00 C ATOM 695 NH1 ARG A 44 15.638 3.736 -2.333 1.00 0.00 N ATOM 696 NH2 ARG A 44 17.906 3.592 -2.650 1.00 0.00 N ATOM 0 H ARG A 44 12.748 7.441 0.000 1.00 0.00 H new ATOM 0 HA ARG A 44 13.582 5.139 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.694 7.925 0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.523 6.770 2.013 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.787 6.222 -0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 44 16.336 6.867 -0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.345 4.774 1.253 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.168 4.133 0.124 1.00 0.00 H new ATOM 0 HE ARG A 44 18.037 4.573 -0.368 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.841 3.989 -1.749 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.486 3.338 -3.260 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.857 3.735 -2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 44 17.750 3.194 -3.576 1.00 0.00 H new ATOM 710 N THR A 45 12.679 7.744 3.227 1.00 0.00 N ATOM 711 CA THR A 45 12.313 8.164 4.574 1.00 0.00 C ATOM 712 C THR A 45 11.228 9.234 4.539 1.00 0.00 C ATOM 713 O THR A 45 11.117 9.989 3.574 1.00 0.00 O ATOM 714 CB THR A 45 13.531 8.709 5.343 1.00 0.00 C ATOM 715 OG1 THR A 45 13.991 9.922 4.736 1.00 0.00 O ATOM 716 CG2 THR A 45 14.659 7.688 5.364 1.00 0.00 C ATOM 0 H THR A 45 12.535 8.455 2.510 1.00 0.00 H new ATOM 0 HA THR A 45 11.933 7.281 5.089 1.00 0.00 H new ATOM 0 HB THR A 45 13.224 8.910 6.370 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.764 10.263 5.232 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.508 8.095 5.913 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.315 6.776 5.852 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.963 7.460 4.342 1.00 0.00 H new ATOM 787 N PRO A 51 8.184 11.238 -3.056 1.00 0.00 N ATOM 788 CA PRO A 51 7.960 9.791 -3.125 1.00 0.00 C ATOM 789 C PRO A 51 8.780 9.129 -4.227 1.00 0.00 C ATOM 790 O PRO A 51 8.674 9.494 -5.399 1.00 0.00 O ATOM 791 CB PRO A 51 6.464 9.678 -3.431 1.00 0.00 C ATOM 792 CG PRO A 51 6.119 10.958 -4.111 1.00 0.00 C ATOM 793 CD PRO A 51 7.007 12.005 -3.498 1.00 0.00 C ATOM 0 HA PRO A 51 8.261 9.288 -2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.254 8.821 -4.071 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.882 9.545 -2.519 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.285 10.886 -5.186 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.067 11.205 -3.967 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.277 12.775 -4.220 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.518 12.508 -2.663 1.00 0.00 H new ATOM 801 N LEU A 52 9.597 8.154 -3.845 1.00 0.00 N ATOM 802 CA LEU A 52 10.436 7.440 -4.801 1.00 0.00 C ATOM 803 C LEU A 52 9.605 6.909 -5.964 1.00 0.00 C ATOM 804 O LEU A 52 9.938 7.128 -7.129 1.00 0.00 O ATOM 805 CB LEU A 52 11.163 6.285 -4.109 1.00 0.00 C ATOM 806 CG LEU A 52 12.306 6.676 -3.172 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.791 5.466 -2.388 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.450 7.299 -3.957 1.00 0.00 C ATOM 0 H LEU A 52 9.696 7.840 -2.880 1.00 0.00 H new ATOM 0 HA LEU A 52 11.172 8.140 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.432 5.712 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.560 5.620 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 52 11.933 7.416 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.605 5.763 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.970 5.064 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.147 4.703 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.254 7.571 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.822 6.582 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.094 8.191 -4.472 1.00 0.00 H new ATOM 820 N ASP A 53 8.522 6.211 -5.641 1.00 0.00 N ATOM 821 CA ASP A 53 7.641 5.651 -6.659 1.00 0.00 C ATOM 822 C ASP A 53 6.220 5.501 -6.124 1.00 0.00 C ATOM 823 O ASP A 53 5.991 5.554 -4.916 1.00 0.00 O ATOM 824 CB ASP A 53 8.167 4.295 -7.130 1.00 0.00 C ATOM 825 CG ASP A 53 9.350 4.428 -8.069 1.00 0.00 C ATOM 826 OD1 ASP A 53 9.257 5.218 -9.031 1.00 0.00 O ATOM 827 OD2 ASP A 53 10.368 3.741 -7.843 1.00 0.00 O ATOM 0 H ASP A 53 8.233 6.019 -4.682 1.00 0.00 H new ATOM 0 HA ASP A 53 7.622 6.338 -7.505 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.459 3.701 -6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.366 3.753 -7.633 1.00 0.00 H new ATOM 832 N SER A 54 5.268 5.315 -7.033 1.00 0.00 N ATOM 833 CA SER A 54 3.868 5.163 -6.654 1.00 0.00 C ATOM 834 C SER A 54 3.262 3.922 -7.303 1.00 0.00 C ATOM 835 O SER A 54 3.696 3.492 -8.371 1.00 0.00 O ATOM 836 CB SER A 54 3.070 6.404 -7.057 1.00 0.00 C ATOM 837 OG SER A 54 2.736 6.371 -8.434 1.00 0.00 O ATOM 0 H SER A 54 5.441 5.266 -8.037 1.00 0.00 H new ATOM 0 HA SER A 54 3.821 5.046 -5.571 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.160 6.465 -6.460 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.652 7.300 -6.842 1.00 0.00 H new ATOM 0 HG SER A 54 1.784 6.573 -8.545 1.00 0.00 H new ATOM 843 N ILE A 55 2.255 3.352 -6.648 1.00 0.00 N ATOM 844 CA ILE A 55 1.588 2.162 -7.161 1.00 0.00 C ATOM 845 C ILE A 55 0.076 2.354 -7.202 1.00 0.00 C ATOM 846 O ILE A 55 -0.541 2.720 -6.201 1.00 0.00 O ATOM 847 CB ILE A 55 1.914 0.922 -6.307 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.428 0.720 -6.219 1.00 0.00 C ATOM 849 CG2 ILE A 55 1.242 -0.313 -6.888 1.00 0.00 C ATOM 850 CD1 ILE A 55 4.089 1.559 -5.148 1.00 0.00 C ATOM 0 H ILE A 55 1.884 3.695 -5.762 1.00 0.00 H new ATOM 0 HA ILE A 55 1.959 2.004 -8.174 1.00 0.00 H new ATOM 0 HB ILE A 55 1.529 1.081 -5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.635 -0.332 -6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.875 0.959 -7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.482 -1.181 -6.274 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.162 -0.166 -6.903 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.600 -0.478 -7.904 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.161 1.364 -5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.913 2.615 -5.353 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.670 1.303 -4.175 1.00 0.00 H new ATOM 862 N ASP A 56 -0.515 2.102 -8.364 1.00 0.00 N ATOM 863 CA ASP A 56 -1.957 2.245 -8.536 1.00 0.00 C ATOM 864 C ASP A 56 -2.702 1.116 -7.830 1.00 0.00 C ATOM 865 O ASP A 56 -2.769 -0.007 -8.331 1.00 0.00 O ATOM 866 CB ASP A 56 -2.316 2.258 -10.022 1.00 0.00 C ATOM 867 CG ASP A 56 -3.785 2.548 -10.260 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.370 3.326 -9.477 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.350 1.997 -11.228 1.00 0.00 O ATOM 0 H ASP A 56 -0.019 1.798 -9.201 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.260 3.192 -8.089 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.713 3.009 -10.532 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.063 1.294 -10.462 1.00 0.00 H new ATOM 874 N LEU A 57 -3.259 1.421 -6.663 1.00 0.00 N ATOM 875 CA LEU A 57 -3.999 0.432 -5.887 1.00 0.00 C ATOM 876 C LEU A 57 -5.342 0.121 -6.540 1.00 0.00 C ATOM 877 O LEU A 57 -5.853 -0.994 -6.431 1.00 0.00 O ATOM 878 CB LEU A 57 -4.219 0.936 -4.459 1.00 0.00 C ATOM 879 CG LEU A 57 -2.969 1.408 -3.715 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.335 1.921 -2.331 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.950 0.283 -3.616 1.00 0.00 C ATOM 0 H LEU A 57 -3.212 2.345 -6.234 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.409 -0.484 -5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.931 1.760 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.682 0.137 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.522 2.227 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.434 2.253 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.028 2.757 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.806 1.121 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.067 0.637 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.387 -0.557 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.665 -0.039 -4.618 1.00 0.00 H new ATOM 893 N SER A 58 -5.907 1.112 -7.222 1.00 0.00 N ATOM 894 CA SER A 58 -7.191 0.944 -7.892 1.00 0.00 C ATOM 895 C SER A 58 -7.244 -0.385 -8.639 1.00 0.00 C ATOM 896 O SER A 58 -8.261 -1.080 -8.621 1.00 0.00 O ATOM 897 CB SER A 58 -7.437 2.099 -8.866 1.00 0.00 C ATOM 898 OG SER A 58 -6.549 2.034 -9.968 1.00 0.00 O ATOM 0 H SER A 58 -5.496 2.040 -7.325 1.00 0.00 H new ATOM 0 HA SER A 58 -7.972 0.946 -7.132 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.467 2.066 -9.222 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.310 3.049 -8.348 1.00 0.00 H new ATOM 0 HG SER A 58 -6.727 2.782 -10.576 1.00 0.00 H new ATOM 904 N SER A 59 -6.142 -0.733 -9.295 1.00 0.00 N ATOM 905 CA SER A 59 -6.063 -1.978 -10.051 1.00 0.00 C ATOM 906 C SER A 59 -5.006 -2.907 -9.460 1.00 0.00 C ATOM 907 O SER A 59 -4.323 -3.629 -10.186 1.00 0.00 O ATOM 908 CB SER A 59 -5.740 -1.688 -11.518 1.00 0.00 C ATOM 909 OG SER A 59 -6.917 -1.390 -12.250 1.00 0.00 O ATOM 0 H SER A 59 -5.291 -0.171 -9.319 1.00 0.00 H new ATOM 0 HA SER A 59 -7.032 -2.473 -9.990 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.046 -0.850 -11.582 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.241 -2.550 -11.961 1.00 0.00 H new ATOM 0 HG SER A 59 -6.684 -1.207 -13.184 1.00 0.00 H new ATOM 915 N ALA A 60 -4.879 -2.882 -8.137 1.00 0.00 N ATOM 916 CA ALA A 60 -3.908 -3.722 -7.448 1.00 0.00 C ATOM 917 C ALA A 60 -4.603 -4.742 -6.552 1.00 0.00 C ATOM 918 O ALA A 60 -5.659 -4.466 -5.983 1.00 0.00 O ATOM 919 CB ALA A 60 -2.953 -2.864 -6.631 1.00 0.00 C ATOM 0 H ALA A 60 -5.436 -2.289 -7.522 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.337 -4.266 -8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.233 -3.505 -6.122 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.424 -2.178 -7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.517 -2.294 -5.893 1.00 0.00 H new ATOM 925 N VAL A 61 -4.004 -5.923 -6.432 1.00 0.00 N ATOM 926 CA VAL A 61 -4.565 -6.984 -5.605 1.00 0.00 C ATOM 927 C VAL A 61 -3.573 -7.433 -4.538 1.00 0.00 C ATOM 928 O VAL A 61 -2.494 -7.936 -4.851 1.00 0.00 O ATOM 929 CB VAL A 61 -4.972 -8.202 -6.456 1.00 0.00 C ATOM 930 CG1 VAL A 61 -4.042 -8.355 -7.649 1.00 0.00 C ATOM 931 CG2 VAL A 61 -4.978 -9.465 -5.609 1.00 0.00 C ATOM 0 H VAL A 61 -3.130 -6.169 -6.897 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.452 -6.573 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.982 -8.039 -6.832 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.345 -9.220 -8.238 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.093 -7.459 -8.268 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.020 -8.495 -7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.268 -10.316 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.981 -9.635 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.689 -9.351 -4.791 1.00 0.00 H new ATOM 941 N PHE A 62 -3.946 -7.247 -3.276 1.00 0.00 N ATOM 942 CA PHE A 62 -3.089 -7.631 -2.161 1.00 0.00 C ATOM 943 C PHE A 62 -3.288 -9.102 -1.804 1.00 0.00 C ATOM 944 O PHE A 62 -4.418 -9.579 -1.700 1.00 0.00 O ATOM 945 CB PHE A 62 -3.379 -6.755 -0.941 1.00 0.00 C ATOM 946 CG PHE A 62 -3.889 -5.387 -1.293 1.00 0.00 C ATOM 947 CD1 PHE A 62 -3.019 -4.396 -1.719 1.00 0.00 C ATOM 948 CD2 PHE A 62 -5.240 -5.092 -1.199 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.486 -3.137 -2.044 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.712 -3.834 -1.523 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.834 -2.855 -1.945 1.00 0.00 C ATOM 0 H PHE A 62 -4.836 -6.833 -3.000 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.053 -7.486 -2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.113 -7.256 -0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.468 -6.654 -0.352 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.963 -4.610 -1.798 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.931 -5.853 -0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.797 -2.374 -2.375 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.767 -3.617 -1.446 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.201 -1.871 -2.197 1.00 0.00 H new ATOM 961 N ASP A 63 -2.182 -9.814 -1.618 1.00 0.00 N ATOM 962 CA ASP A 63 -2.234 -11.230 -1.272 1.00 0.00 C ATOM 963 C ASP A 63 -1.199 -11.566 -0.203 1.00 0.00 C ATOM 964 O ASP A 63 -0.314 -10.762 0.093 1.00 0.00 O ATOM 965 CB ASP A 63 -1.999 -12.089 -2.516 1.00 0.00 C ATOM 966 CG ASP A 63 -2.356 -13.545 -2.289 1.00 0.00 C ATOM 967 OD1 ASP A 63 -3.564 -13.859 -2.243 1.00 0.00 O ATOM 968 OD2 ASP A 63 -1.428 -14.370 -2.156 1.00 0.00 O ATOM 0 H ASP A 63 -1.239 -9.434 -1.701 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.225 -11.446 -0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.592 -11.697 -3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.953 -12.016 -2.812 1.00 0.00 H new ATOM 973 N CYS A 64 -1.317 -12.757 0.373 1.00 0.00 N ATOM 974 CA CYS A 64 -0.392 -13.199 1.411 1.00 0.00 C ATOM 975 C CYS A 64 0.505 -14.321 0.898 1.00 0.00 C ATOM 976 O CYS A 64 0.062 -15.191 0.147 1.00 0.00 O ATOM 977 CB CYS A 64 -1.165 -13.671 2.644 1.00 0.00 C ATOM 978 SG CYS A 64 -2.251 -15.083 2.339 1.00 0.00 S ATOM 0 H CYS A 64 -2.043 -13.434 0.139 1.00 0.00 H new ATOM 0 HA CYS A 64 0.237 -12.353 1.687 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.453 -13.936 3.426 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.762 -12.842 3.024 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.821 -15.746 1.307 1.00 0.00 H new ATOM 984 N LYS A 65 1.769 -14.295 1.307 1.00 0.00 N ATOM 985 CA LYS A 65 2.730 -15.308 0.890 1.00 0.00 C ATOM 986 C LYS A 65 2.530 -16.602 1.672 1.00 0.00 C ATOM 987 O LYS A 65 1.690 -16.673 2.568 1.00 0.00 O ATOM 988 CB LYS A 65 4.159 -14.797 1.086 1.00 0.00 C ATOM 989 CG LYS A 65 4.718 -14.074 -0.128 1.00 0.00 C ATOM 990 CD LYS A 65 5.280 -15.050 -1.148 1.00 0.00 C ATOM 991 CE LYS A 65 6.730 -15.399 -0.846 1.00 0.00 C ATOM 992 NZ LYS A 65 7.412 -16.002 -2.024 1.00 0.00 N ATOM 0 H LYS A 65 2.152 -13.582 1.928 1.00 0.00 H new ATOM 0 HA LYS A 65 2.567 -15.514 -0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.181 -14.123 1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.807 -15.639 1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.933 -13.476 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.501 -13.384 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.679 -15.959 -1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.209 -14.616 -2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.264 -14.500 -0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.769 -16.095 -0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.397 -16.226 -1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.918 -16.874 -2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.397 -15.328 -2.816 1.00 0.00 H new ATOM 1006 N ALA A 66 3.309 -17.623 1.328 1.00 0.00 N ATOM 1007 CA ALA A 66 3.219 -18.913 2.001 1.00 0.00 C ATOM 1008 C ALA A 66 3.577 -18.788 3.478 1.00 0.00 C ATOM 1009 O ALA A 66 2.896 -19.342 4.341 1.00 0.00 O ATOM 1010 CB ALA A 66 4.126 -19.927 1.320 1.00 0.00 C ATOM 0 H ALA A 66 4.009 -17.581 0.587 1.00 0.00 H new ATOM 0 HA ALA A 66 2.188 -19.260 1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.049 -20.886 1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.822 -20.046 0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.157 -19.576 1.359 1.00 0.00 H new ATOM 1016 N ASP A 67 4.650 -18.057 3.762 1.00 0.00 N ATOM 1017 CA ASP A 67 5.098 -17.859 5.135 1.00 0.00 C ATOM 1018 C ASP A 67 4.354 -16.698 5.788 1.00 0.00 C ATOM 1019 O ASP A 67 4.932 -15.932 6.558 1.00 0.00 O ATOM 1020 CB ASP A 67 6.605 -17.600 5.170 1.00 0.00 C ATOM 1021 CG ASP A 67 7.243 -18.063 6.465 1.00 0.00 C ATOM 1022 OD1 ASP A 67 7.101 -19.258 6.802 1.00 0.00 O ATOM 1023 OD2 ASP A 67 7.884 -17.232 7.141 1.00 0.00 O ATOM 0 H ASP A 67 5.225 -17.592 3.059 1.00 0.00 H new ATOM 0 HA ASP A 67 4.880 -18.768 5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.078 -18.112 4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.791 -16.534 5.038 1.00 0.00 H new ATOM 1028 N ALA A 68 3.069 -16.575 5.474 1.00 0.00 N ATOM 1029 CA ALA A 68 2.246 -15.508 6.030 1.00 0.00 C ATOM 1030 C ALA A 68 2.347 -15.473 7.551 1.00 0.00 C ATOM 1031 O ALA A 68 2.269 -14.408 8.162 1.00 0.00 O ATOM 1032 CB ALA A 68 0.796 -15.681 5.599 1.00 0.00 C ATOM 0 H ALA A 68 2.575 -17.201 4.838 1.00 0.00 H new ATOM 0 HA ALA A 68 2.617 -14.558 5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.193 -14.877 6.021 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.733 -15.649 4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.423 -16.641 5.956 1.00 0.00 H new ATOM 1038 N GLU A 69 2.521 -16.644 8.155 1.00 0.00 N ATOM 1039 CA GLU A 69 2.632 -16.745 9.606 1.00 0.00 C ATOM 1040 C GLU A 69 3.530 -15.643 10.161 1.00 0.00 C ATOM 1041 O GLU A 69 3.309 -15.147 11.265 1.00 0.00 O ATOM 1042 CB GLU A 69 3.183 -18.116 10.003 1.00 0.00 C ATOM 1043 CG GLU A 69 4.593 -18.374 9.499 1.00 0.00 C ATOM 1044 CD GLU A 69 4.882 -19.850 9.303 1.00 0.00 C ATOM 1045 OE1 GLU A 69 5.200 -20.531 10.301 1.00 0.00 O ATOM 1046 OE2 GLU A 69 4.789 -20.325 8.152 1.00 0.00 O ATOM 0 H GLU A 69 2.588 -17.535 7.663 1.00 0.00 H new ATOM 0 HA GLU A 69 1.635 -16.625 10.030 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.173 -18.201 11.090 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.521 -18.890 9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.738 -17.851 8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.310 -17.958 10.207 1.00 0.00 H new ATOM 1053 N GLU A 70 4.543 -15.267 9.387 1.00 0.00 N ATOM 1054 CA GLU A 70 5.475 -14.226 9.803 1.00 0.00 C ATOM 1055 C GLU A 70 4.882 -12.839 9.567 1.00 0.00 C ATOM 1056 O GLU A 70 5.002 -11.950 10.408 1.00 0.00 O ATOM 1057 CB GLU A 70 6.797 -14.362 9.046 1.00 0.00 C ATOM 1058 CG GLU A 70 7.658 -13.111 9.094 1.00 0.00 C ATOM 1059 CD GLU A 70 9.138 -13.415 8.966 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.601 -13.644 7.829 1.00 0.00 O ATOM 1061 OE2 GLU A 70 9.833 -13.424 10.003 1.00 0.00 O ATOM 0 H GLU A 70 4.739 -15.667 8.470 1.00 0.00 H new ATOM 0 HA GLU A 70 5.661 -14.346 10.870 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.360 -15.197 9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.586 -14.608 8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.359 -12.438 8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.479 -12.587 10.033 1.00 0.00 H new ATOM 1068 N GLY A 71 4.241 -12.664 8.415 1.00 0.00 N ATOM 1069 CA GLY A 71 3.639 -11.385 8.088 1.00 0.00 C ATOM 1070 C GLY A 71 4.145 -10.826 6.774 1.00 0.00 C ATOM 1071 O GLY A 71 4.743 -9.750 6.738 1.00 0.00 O ATOM 0 H GLY A 71 4.128 -13.385 7.703 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.556 -11.499 8.038 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.848 -10.673 8.887 1.00 0.00 H new ATOM 1075 N ILE A 72 3.906 -11.557 5.690 1.00 0.00 N ATOM 1076 CA ILE A 72 4.342 -11.127 4.368 1.00 0.00 C ATOM 1077 C ILE A 72 3.178 -11.111 3.383 1.00 0.00 C ATOM 1078 O ILE A 72 2.275 -11.945 3.458 1.00 0.00 O ATOM 1079 CB ILE A 72 5.452 -12.042 3.816 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.492 -12.330 4.902 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.110 -11.403 2.602 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.042 -13.364 5.910 1.00 0.00 C ATOM 0 H ILE A 72 3.413 -12.450 5.702 1.00 0.00 H new ATOM 0 HA ILE A 72 4.736 -10.117 4.479 1.00 0.00 H new ATOM 0 HB ILE A 72 5.004 -12.987 3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.413 -12.671 4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.726 -11.403 5.425 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.892 -12.061 2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.362 -11.243 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.548 -10.446 2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.828 -13.518 6.649 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.138 -13.016 6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.836 -14.304 5.399 1.00 0.00 H new ATOM 1094 N PHE A 73 3.205 -10.156 2.459 1.00 0.00 N ATOM 1095 CA PHE A 73 2.152 -10.030 1.459 1.00 0.00 C ATOM 1096 C PHE A 73 2.734 -9.643 0.102 1.00 0.00 C ATOM 1097 O PHE A 73 3.942 -9.453 -0.034 1.00 0.00 O ATOM 1098 CB PHE A 73 1.121 -8.989 1.900 1.00 0.00 C ATOM 1099 CG PHE A 73 1.727 -7.667 2.276 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.331 -7.494 3.511 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.695 -6.599 1.395 1.00 0.00 C ATOM 1102 CE1 PHE A 73 2.889 -6.278 3.860 1.00 0.00 C ATOM 1103 CE2 PHE A 73 2.252 -5.381 1.738 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.850 -5.221 2.972 1.00 0.00 C ATOM 0 H PHE A 73 3.945 -9.458 2.382 1.00 0.00 H new ATOM 0 HA PHE A 73 1.661 -10.998 1.362 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.404 -8.835 1.093 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.564 -9.379 2.751 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.366 -8.318 4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.229 -6.719 0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.355 -6.155 4.826 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.219 -4.556 1.042 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.287 -4.271 3.242 1.00 0.00 H new ATOM 1114 N GLU A 74 1.865 -9.530 -0.898 1.00 0.00 N ATOM 1115 CA GLU A 74 2.293 -9.167 -2.243 1.00 0.00 C ATOM 1116 C GLU A 74 1.190 -8.412 -2.980 1.00 0.00 C ATOM 1117 O GLU A 74 0.027 -8.815 -2.958 1.00 0.00 O ATOM 1118 CB GLU A 74 2.685 -10.418 -3.032 1.00 0.00 C ATOM 1119 CG GLU A 74 4.145 -10.807 -2.871 1.00 0.00 C ATOM 1120 CD GLU A 74 4.366 -12.303 -2.986 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.391 -13.062 -2.807 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.514 -12.714 -3.255 1.00 0.00 O ATOM 0 H GLU A 74 0.861 -9.685 -0.802 1.00 0.00 H new ATOM 0 HA GLU A 74 3.161 -8.514 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.059 -11.250 -2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.477 -10.251 -4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.739 -10.296 -3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.504 -10.464 -1.901 1.00 0.00 H new ATOM 1129 N ILE A 75 1.565 -7.316 -3.631 1.00 0.00 N ATOM 1130 CA ILE A 75 0.609 -6.506 -4.375 1.00 0.00 C ATOM 1131 C ILE A 75 0.750 -6.729 -5.877 1.00 0.00 C ATOM 1132 O ILE A 75 1.664 -6.203 -6.511 1.00 0.00 O ATOM 1133 CB ILE A 75 0.786 -5.006 -4.072 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.798 -4.767 -2.560 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.321 -4.198 -4.732 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.817 -3.303 -2.180 1.00 0.00 C ATOM 0 H ILE A 75 2.524 -6.969 -3.658 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.385 -6.819 -4.055 1.00 0.00 H new ATOM 0 HB ILE A 75 1.742 -4.678 -4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.081 -5.237 -2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.671 -5.257 -2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.182 -3.140 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.287 -4.348 -5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.288 -4.526 -4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.825 -3.209 -1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.710 -2.832 -2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.070 -2.812 -2.580 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.163 -7.512 -6.441 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.145 -7.804 -7.870 1.00 0.00 C ATOM 1150 C LYS A 76 -0.781 -6.668 -8.665 1.00 0.00 C ATOM 1151 O LYS A 76 -1.977 -6.404 -8.543 1.00 0.00 O ATOM 1152 CB LYS A 76 -0.882 -9.115 -8.153 1.00 0.00 C ATOM 1153 CG LYS A 76 0.025 -10.333 -8.159 1.00 0.00 C ATOM 1154 CD LYS A 76 0.397 -10.759 -6.749 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.584 -11.784 -6.200 1.00 0.00 C ATOM 1156 NZ LYS A 76 -0.476 -13.090 -6.907 1.00 0.00 N ATOM 0 H LYS A 76 -0.926 -7.956 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 76 0.894 -7.905 -8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.659 -9.255 -7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.382 -9.040 -9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.474 -11.157 -8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.930 -10.111 -8.724 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.403 -11.179 -6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.416 -9.886 -6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.398 -11.931 -5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.600 -11.402 -6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.842 -13.847 -6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.032 -13.056 -7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.521 -13.280 -7.135 1.00 0.00 H new ATOM 1170 N THR A 77 0.027 -5.999 -9.483 1.00 0.00 N ATOM 1171 CA THR A 77 -0.457 -4.893 -10.298 1.00 0.00 C ATOM 1172 C THR A 77 -0.096 -5.093 -11.766 1.00 0.00 C ATOM 1173 O THR A 77 0.893 -5.744 -12.104 1.00 0.00 O ATOM 1174 CB THR A 77 0.119 -3.547 -9.819 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.468 -3.402 -10.275 1.00 0.00 O ATOM 1176 CG2 THR A 77 0.078 -3.452 -8.301 1.00 0.00 C ATOM 0 H THR A 77 1.019 -6.205 -9.598 1.00 0.00 H new ATOM 0 HA THR A 77 -1.542 -4.874 -10.192 1.00 0.00 H new ATOM 0 HB THR A 77 -0.492 -2.746 -10.234 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.553 -2.570 -10.786 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.490 -2.493 -7.985 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.954 -3.534 -7.959 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.669 -4.260 -7.870 1.00 0.00 H new ATOM 1184 N PRO A 78 -0.915 -4.521 -12.661 1.00 0.00 N ATOM 1185 CA PRO A 78 -0.701 -4.622 -14.108 1.00 0.00 C ATOM 1186 C PRO A 78 0.517 -3.830 -14.570 1.00 0.00 C ATOM 1187 O PRO A 78 0.791 -3.737 -15.766 1.00 0.00 O ATOM 1188 CB PRO A 78 -1.982 -4.026 -14.698 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.493 -3.106 -13.643 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.113 -3.731 -12.329 1.00 0.00 C ATOM 0 HA PRO A 78 -0.508 -5.648 -14.421 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.779 -3.491 -15.626 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.709 -4.804 -14.931 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.054 -2.114 -13.745 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.574 -2.986 -13.720 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.900 -2.976 -11.572 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.913 -4.359 -11.937 1.00 0.00 H new ATOM 1198 N SER A 79 1.245 -3.262 -13.614 1.00 0.00 N ATOM 1199 CA SER A 79 2.433 -2.475 -13.925 1.00 0.00 C ATOM 1200 C SER A 79 3.695 -3.178 -13.432 1.00 0.00 C ATOM 1201 O SER A 79 4.661 -3.338 -14.178 1.00 0.00 O ATOM 1202 CB SER A 79 2.330 -1.086 -13.292 1.00 0.00 C ATOM 1203 OG SER A 79 2.084 -1.176 -11.900 1.00 0.00 O ATOM 0 H SER A 79 1.033 -3.332 -12.619 1.00 0.00 H new ATOM 0 HA SER A 79 2.496 -2.370 -15.008 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.254 -0.534 -13.466 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.528 -0.524 -13.770 1.00 0.00 H new ATOM 0 HG SER A 79 2.024 -0.275 -11.519 1.00 0.00 H new ATOM 1209 N ARG A 80 3.677 -3.595 -12.170 1.00 0.00 N ATOM 1210 CA ARG A 80 4.819 -4.280 -11.576 1.00 0.00 C ATOM 1211 C ARG A 80 4.432 -4.933 -10.252 1.00 0.00 C ATOM 1212 O ARG A 80 3.853 -4.291 -9.377 1.00 0.00 O ATOM 1213 CB ARG A 80 5.971 -3.299 -11.356 1.00 0.00 C ATOM 1214 CG ARG A 80 5.780 -2.397 -10.147 1.00 0.00 C ATOM 1215 CD ARG A 80 6.981 -1.489 -9.934 1.00 0.00 C ATOM 1216 NE ARG A 80 6.771 -0.552 -8.834 1.00 0.00 N ATOM 1217 CZ ARG A 80 7.618 0.425 -8.529 1.00 0.00 C ATOM 1218 NH1 ARG A 80 8.726 0.592 -9.237 1.00 0.00 N ATOM 1219 NH2 ARG A 80 7.357 1.238 -7.513 1.00 0.00 N ATOM 0 H ARG A 80 2.885 -3.471 -11.540 1.00 0.00 H new ATOM 0 HA ARG A 80 5.142 -5.060 -12.265 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.898 -3.861 -11.237 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.085 -2.680 -12.246 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.884 -1.791 -10.282 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.622 -3.007 -9.258 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.863 -2.096 -9.729 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.182 -0.933 -10.850 1.00 0.00 H new ATOM 0 HE ARG A 80 5.928 -0.653 -8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.930 -0.031 -10.019 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.374 1.343 -9.000 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.505 1.113 -6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.008 1.988 -7.280 1.00 0.00 H new ATOM 1233 N VAL A 81 4.757 -6.215 -10.113 1.00 0.00 N ATOM 1234 CA VAL A 81 4.445 -6.955 -8.897 1.00 0.00 C ATOM 1235 C VAL A 81 5.372 -6.552 -7.755 1.00 0.00 C ATOM 1236 O VAL A 81 6.588 -6.728 -7.837 1.00 0.00 O ATOM 1237 CB VAL A 81 4.556 -8.475 -9.120 1.00 0.00 C ATOM 1238 CG1 VAL A 81 4.087 -9.232 -7.887 1.00 0.00 C ATOM 1239 CG2 VAL A 81 3.759 -8.892 -10.347 1.00 0.00 C ATOM 0 H VAL A 81 5.236 -6.762 -10.828 1.00 0.00 H new ATOM 0 HA VAL A 81 3.417 -6.708 -8.632 1.00 0.00 H new ATOM 0 HB VAL A 81 5.603 -8.724 -9.292 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.173 -10.304 -8.064 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.705 -8.954 -7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.047 -8.981 -7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.848 -9.969 -10.490 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.710 -8.630 -10.206 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.147 -8.376 -11.225 1.00 0.00 H new ATOM 1249 N ILE A 82 4.789 -6.010 -6.691 1.00 0.00 N ATOM 1250 CA ILE A 82 5.562 -5.583 -5.531 1.00 0.00 C ATOM 1251 C ILE A 82 5.398 -6.559 -4.371 1.00 0.00 C ATOM 1252 O ILE A 82 4.300 -7.053 -4.112 1.00 0.00 O ATOM 1253 CB ILE A 82 5.148 -4.175 -5.066 1.00 0.00 C ATOM 1254 CG1 ILE A 82 5.331 -3.165 -6.201 1.00 0.00 C ATOM 1255 CG2 ILE A 82 5.957 -3.761 -3.846 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.743 -3.112 -6.741 1.00 0.00 C ATOM 0 H ILE A 82 3.784 -5.856 -6.608 1.00 0.00 H new ATOM 0 HA ILE A 82 6.607 -5.562 -5.839 1.00 0.00 H new ATOM 0 HB ILE A 82 4.094 -4.195 -4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.649 -3.416 -7.013 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.050 -2.174 -5.844 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.653 -2.763 -3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.781 -4.468 -3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.017 -3.754 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.799 -2.375 -7.542 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.428 -2.831 -5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.021 -4.092 -7.129 1.00 0.00 H new ATOM 1268 N THR A 83 6.496 -6.831 -3.673 1.00 0.00 N ATOM 1269 CA THR A 83 6.474 -7.747 -2.540 1.00 0.00 C ATOM 1270 C THR A 83 6.888 -7.040 -1.254 1.00 0.00 C ATOM 1271 O THR A 83 8.075 -6.833 -1.001 1.00 0.00 O ATOM 1272 CB THR A 83 7.405 -8.951 -2.772 1.00 0.00 C ATOM 1273 OG1 THR A 83 7.131 -9.543 -4.047 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.229 -9.991 -1.676 1.00 0.00 C ATOM 0 H THR A 83 7.412 -6.430 -3.873 1.00 0.00 H new ATOM 0 HA THR A 83 5.449 -8.104 -2.442 1.00 0.00 H new ATOM 0 HB THR A 83 8.435 -8.595 -2.751 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.728 -10.307 -4.188 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.897 -10.832 -1.862 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.466 -9.545 -0.710 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.197 -10.342 -1.670 1.00 0.00 H new ATOM 1282 N LEU A 84 5.902 -6.671 -0.443 1.00 0.00 N ATOM 1283 CA LEU A 84 6.163 -5.988 0.818 1.00 0.00 C ATOM 1284 C LEU A 84 5.709 -6.836 2.002 1.00 0.00 C ATOM 1285 O LEU A 84 4.720 -7.564 1.915 1.00 0.00 O ATOM 1286 CB LEU A 84 5.453 -4.634 0.845 1.00 0.00 C ATOM 1287 CG LEU A 84 5.662 -3.742 -0.380 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.802 -2.491 -0.283 1.00 0.00 C ATOM 1289 CD2 LEU A 84 7.131 -3.372 -0.526 1.00 0.00 C ATOM 0 H LEU A 84 4.914 -6.834 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 84 7.238 -5.829 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.384 -4.809 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.787 -4.089 1.728 1.00 0.00 H new ATOM 0 HG LEU A 84 5.358 -4.298 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.964 -1.869 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.751 -2.775 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.074 -1.931 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.261 -2.737 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.461 -2.835 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.725 -4.279 -0.643 1.00 0.00 H new ATOM 1301 N LYS A 85 6.438 -6.737 3.109 1.00 0.00 N ATOM 1302 CA LYS A 85 6.109 -7.492 4.312 1.00 0.00 C ATOM 1303 C LYS A 85 5.859 -6.556 5.490 1.00 0.00 C ATOM 1304 O LYS A 85 6.292 -5.404 5.483 1.00 0.00 O ATOM 1305 CB LYS A 85 7.239 -8.466 4.652 1.00 0.00 C ATOM 1306 CG LYS A 85 8.545 -7.780 5.015 1.00 0.00 C ATOM 1307 CD LYS A 85 9.510 -8.739 5.690 1.00 0.00 C ATOM 1308 CE LYS A 85 10.395 -8.022 6.698 1.00 0.00 C ATOM 1309 NZ LYS A 85 9.799 -8.028 8.063 1.00 0.00 N ATOM 0 H LYS A 85 7.261 -6.141 3.198 1.00 0.00 H new ATOM 0 HA LYS A 85 5.197 -8.056 4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.926 -9.096 5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.409 -9.124 3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.005 -7.373 4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.343 -6.939 5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.949 -9.527 6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.132 -9.221 4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.374 -8.501 6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.553 -6.993 6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.432 -7.530 8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.876 -7.549 8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.672 -9.010 8.382 1.00 0.00 H new ATOM 1323 N ALA A 86 5.157 -7.058 6.501 1.00 0.00 N ATOM 1324 CA ALA A 86 4.852 -6.268 7.687 1.00 0.00 C ATOM 1325 C ALA A 86 5.512 -6.862 8.927 1.00 0.00 C ATOM 1326 O ALA A 86 6.117 -7.932 8.867 1.00 0.00 O ATOM 1327 CB ALA A 86 3.347 -6.170 7.884 1.00 0.00 C ATOM 0 H ALA A 86 4.789 -8.009 6.522 1.00 0.00 H new ATOM 0 HA ALA A 86 5.254 -5.266 7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.134 -5.577 8.774 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.896 -5.693 7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.930 -7.170 8.006 1.00 0.00 H new ATOM 1333 N ALA A 87 5.393 -6.160 10.049 1.00 0.00 N ATOM 1334 CA ALA A 87 5.977 -6.619 11.303 1.00 0.00 C ATOM 1335 C ALA A 87 5.544 -8.046 11.621 1.00 0.00 C ATOM 1336 O ALA A 87 6.354 -8.973 11.594 1.00 0.00 O ATOM 1337 CB ALA A 87 5.590 -5.683 12.439 1.00 0.00 C ATOM 0 H ALA A 87 4.897 -5.271 10.115 1.00 0.00 H new ATOM 0 HA ALA A 87 7.061 -6.612 11.194 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.033 -6.038 13.370 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.955 -4.679 12.223 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.505 -5.661 12.539 1.00 0.00 H new ATOM 1343 N THR A 88 4.260 -8.217 11.922 1.00 0.00 N ATOM 1344 CA THR A 88 3.720 -9.531 12.247 1.00 0.00 C ATOM 1345 C THR A 88 2.508 -9.856 11.381 1.00 0.00 C ATOM 1346 O THR A 88 2.066 -9.034 10.579 1.00 0.00 O ATOM 1347 CB THR A 88 3.315 -9.621 13.730 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.328 -8.627 14.030 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.524 -9.431 14.634 1.00 0.00 C ATOM 0 H THR A 88 3.575 -7.462 11.947 1.00 0.00 H new ATOM 0 HA THR A 88 4.510 -10.255 12.049 1.00 0.00 H new ATOM 0 HB THR A 88 2.899 -10.612 13.910 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.075 -8.692 14.974 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.213 -9.499 15.677 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.261 -10.206 14.424 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.966 -8.452 14.450 1.00 0.00 H new ATOM 1357 N LYS A 89 1.974 -11.061 11.548 1.00 0.00 N ATOM 1358 CA LYS A 89 0.812 -11.496 10.783 1.00 0.00 C ATOM 1359 C LYS A 89 -0.340 -10.507 10.932 1.00 0.00 C ATOM 1360 O LYS A 89 -1.082 -10.257 9.983 1.00 0.00 O ATOM 1361 CB LYS A 89 0.365 -12.887 11.240 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.973 -13.316 10.664 1.00 0.00 C ATOM 1363 CD LYS A 89 -0.811 -13.957 9.295 1.00 0.00 C ATOM 1364 CE LYS A 89 -2.033 -14.778 8.916 1.00 0.00 C ATOM 1365 NZ LYS A 89 -1.888 -15.400 7.570 1.00 0.00 N ATOM 0 H LYS A 89 2.328 -11.754 12.207 1.00 0.00 H new ATOM 0 HA LYS A 89 1.097 -11.539 9.732 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.124 -13.615 10.955 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.304 -12.900 12.328 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.453 -14.021 11.343 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.631 -12.451 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.646 -13.182 8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.072 -14.595 9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.192 -15.558 9.661 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.917 -14.140 8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.694 -16.032 7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.864 -14.655 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.005 -15.948 7.534 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.480 -9.946 12.129 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.541 -8.983 12.401 1.00 0.00 C ATOM 1381 C GLN A 90 -1.264 -7.657 11.701 1.00 0.00 C ATOM 1382 O GLN A 90 -2.187 -6.976 11.254 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.680 -8.758 13.908 1.00 0.00 C ATOM 1384 CG GLN A 90 -2.503 -9.828 14.609 1.00 0.00 C ATOM 1385 CD GLN A 90 -2.795 -9.484 16.056 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -2.247 -8.526 16.602 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -3.662 -10.267 16.687 1.00 0.00 N ATOM 0 H GLN A 90 0.127 -10.141 12.925 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.475 -9.390 12.014 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.687 -8.724 14.355 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.141 -7.785 14.081 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.443 -9.966 14.075 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.970 -10.778 14.566 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.093 -11.050 16.196 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.897 -10.085 17.663 1.00 0.00 H new ATOM 1396 N ALA A 91 0.011 -7.296 11.610 1.00 0.00 N ATOM 1397 CA ALA A 91 0.409 -6.052 10.963 1.00 0.00 C ATOM 1398 C ALA A 91 -0.147 -5.968 9.545 1.00 0.00 C ATOM 1399 O ALA A 91 -0.931 -5.074 9.228 1.00 0.00 O ATOM 1400 CB ALA A 91 1.925 -5.927 10.945 1.00 0.00 C ATOM 0 H ALA A 91 0.787 -7.848 11.976 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.006 -5.224 11.538 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.207 -4.993 10.459 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.303 -5.932 11.967 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.353 -6.766 10.396 1.00 0.00 H new ATOM 1406 N MET A 92 0.264 -6.905 8.697 1.00 0.00 N ATOM 1407 CA MET A 92 -0.194 -6.936 7.313 1.00 0.00 C ATOM 1408 C MET A 92 -1.718 -6.927 7.245 1.00 0.00 C ATOM 1409 O MET A 92 -2.311 -6.160 6.485 1.00 0.00 O ATOM 1410 CB MET A 92 0.352 -8.175 6.600 1.00 0.00 C ATOM 1411 CG MET A 92 -0.021 -9.482 7.281 1.00 0.00 C ATOM 1412 SD MET A 92 0.616 -10.926 6.409 1.00 0.00 S ATOM 1413 CE MET A 92 -0.847 -11.958 6.350 1.00 0.00 C ATOM 0 H MET A 92 0.913 -7.652 8.944 1.00 0.00 H new ATOM 0 HA MET A 92 0.180 -6.043 6.812 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.021 -8.189 5.576 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.438 -8.102 6.542 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.364 -9.479 8.301 1.00 0.00 H new ATOM 0 HG3 MET A 92 -1.106 -9.554 7.351 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.556 -13.006 6.426 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.506 -11.703 7.180 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.370 -11.794 5.408 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.347 -7.783 8.042 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.802 -7.874 8.072 1.00 0.00 C ATOM 1425 C LEU A 93 -4.434 -6.485 8.088 1.00 0.00 C ATOM 1426 O LEU A 93 -5.504 -6.272 7.518 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.259 -8.668 9.297 1.00 0.00 C ATOM 1428 CG LEU A 93 -4.098 -10.186 9.210 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -4.493 -10.841 10.525 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -4.927 -10.746 8.063 1.00 0.00 C ATOM 0 H LEU A 93 -1.872 -8.425 8.677 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.127 -8.392 7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.702 -8.313 10.164 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.310 -8.444 9.479 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.049 -10.410 9.017 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.372 -11.921 10.444 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.856 -10.463 11.325 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.534 -10.608 10.749 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.800 -11.828 8.016 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.979 -10.511 8.226 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.597 -10.301 7.124 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.763 -5.544 8.742 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.259 -4.175 8.832 1.00 0.00 C ATOM 1444 C TYR A 94 -4.064 -3.437 7.511 1.00 0.00 C ATOM 1445 O TYR A 94 -4.916 -2.652 7.095 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.545 -3.425 9.958 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.715 -1.925 9.889 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -4.956 -1.335 10.096 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.633 -1.095 9.617 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -5.115 0.035 10.033 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.783 0.276 9.553 1.00 0.00 C ATOM 1452 CZ TYR A 94 -4.026 0.837 9.761 1.00 0.00 C ATOM 1453 OH TYR A 94 -4.181 2.203 9.699 1.00 0.00 O ATOM 0 H TYR A 94 -2.875 -5.703 9.218 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.326 -4.216 9.051 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.922 -3.781 10.917 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.482 -3.664 9.925 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.811 -1.959 10.310 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.658 -1.530 9.453 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.087 0.477 10.196 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.932 0.906 9.341 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.318 2.621 9.499 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.937 -3.695 6.858 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.630 -3.057 5.583 1.00 0.00 C ATOM 1465 C TRP A 95 -3.528 -3.593 4.474 1.00 0.00 C ATOM 1466 O TRP A 95 -4.076 -2.828 3.680 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.161 -3.279 5.219 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.252 -2.203 5.732 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.445 -2.210 6.907 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.056 -0.962 5.088 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.167 -1.048 7.032 1.00 0.00 N ATOM 1472 CE2 TRP A 95 0.947 -0.267 5.929 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.333 -0.372 3.883 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.452 0.989 5.601 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.170 0.874 3.559 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.055 1.543 4.414 1.00 0.00 C ATOM 0 H TRP A 95 -2.221 -4.341 7.190 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.814 -1.988 5.687 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.836 -4.240 5.619 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.068 -3.337 4.135 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.431 -3.011 7.631 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.769 -0.806 7.819 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.014 -0.880 3.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.133 1.507 6.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.125 1.340 2.630 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.431 2.515 4.131 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.676 -4.913 4.425 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.509 -5.552 3.413 1.00 0.00 C ATOM 1489 C LEU A 96 -5.968 -5.135 3.565 1.00 0.00 C ATOM 1490 O LEU A 96 -6.639 -4.822 2.582 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.389 -7.074 3.512 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.969 -7.629 3.630 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.998 -9.142 3.778 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -2.136 -7.225 2.423 1.00 0.00 C ATOM 0 H LEU A 96 -3.230 -5.561 5.074 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.158 -5.229 2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.961 -7.408 4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.857 -7.513 2.631 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.507 -7.206 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.979 -9.519 3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.558 -9.409 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.479 -9.584 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.129 -7.629 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.595 -7.618 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.087 -6.138 2.362 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.451 -5.130 4.804 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.830 -4.750 5.084 1.00 0.00 C ATOM 1508 C GLN A 97 -8.065 -3.278 4.759 1.00 0.00 C ATOM 1509 O GLN A 97 -9.023 -2.932 4.068 1.00 0.00 O ATOM 1510 CB GLN A 97 -8.168 -5.021 6.551 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.521 -4.473 6.975 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.658 -5.428 6.670 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.541 -6.295 5.803 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.768 -5.275 7.382 1.00 0.00 N ATOM 0 H GLN A 97 -5.908 -5.385 5.629 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.482 -5.352 4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.150 -6.097 6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.394 -4.582 7.181 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.505 -4.263 8.044 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.701 -3.526 6.467 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.822 -4.544 8.091 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.566 -5.889 7.220 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.186 -2.418 5.263 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.299 -0.984 5.026 1.00 0.00 C ATOM 1525 C GLN A 98 -7.099 -0.658 3.550 1.00 0.00 C ATOM 1526 O GLN A 98 -7.971 -0.069 2.910 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.276 -0.224 5.872 1.00 0.00 C ATOM 1528 CG GLN A 98 -6.723 0.007 7.306 1.00 0.00 C ATOM 1529 CD GLN A 98 -8.149 0.512 7.399 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -8.392 1.719 7.433 1.00 0.00 O ATOM 1531 NE2 GLN A 98 -9.103 -0.411 7.439 1.00 0.00 N ATOM 0 H GLN A 98 -6.388 -2.689 5.838 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.303 -0.672 5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.338 -0.779 5.878 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.074 0.739 5.404 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.635 -0.925 7.865 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.055 0.727 7.779 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -8.857 -1.400 7.408 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -10.082 -0.130 7.500 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.946 -1.044 3.015 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.631 -0.793 1.613 1.00 0.00 C ATOM 1542 C LEU A 99 -6.850 -1.038 0.728 1.00 0.00 C ATOM 1543 O LEU A 99 -7.106 -0.287 -0.212 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.473 -1.684 1.162 1.00 0.00 C ATOM 1545 CG LEU A 99 -3.076 -1.243 1.601 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -2.054 -2.329 1.302 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.689 0.060 0.918 1.00 0.00 C ATOM 0 H LEU A 99 -5.214 -1.532 3.531 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.337 0.252 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.649 -2.692 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.488 -1.742 0.074 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.091 -1.075 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.066 -1.997 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.322 -3.239 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.040 -2.531 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.692 0.359 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.692 -0.081 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.405 0.837 1.185 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.598 -2.091 1.039 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.790 -2.433 0.273 1.00 0.00 C ATOM 1561 C GLN A 100 -9.855 -1.350 0.410 1.00 0.00 C ATOM 1562 O GLN A 100 -10.426 -0.898 -0.582 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.352 -3.778 0.737 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.752 -4.971 0.010 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.614 -6.214 0.118 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -9.994 -6.810 -0.891 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -9.927 -6.613 1.345 1.00 0.00 N ATOM 0 H GLN A 100 -7.400 -2.722 1.816 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.507 -2.508 -0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.173 -3.887 1.807 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.432 -3.780 0.592 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.614 -4.719 -1.042 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.764 -5.182 0.419 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.591 -6.089 2.153 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.504 -7.443 1.480 1.00 0.00 H new ATOM 1576 N MET A 101 -10.117 -0.938 1.647 1.00 0.00 N ATOM 1577 CA MET A 101 -11.112 0.094 1.913 1.00 0.00 C ATOM 1578 C MET A 101 -11.032 1.208 0.874 1.00 0.00 C ATOM 1579 O MET A 101 -12.044 1.607 0.298 1.00 0.00 O ATOM 1580 CB MET A 101 -10.916 0.673 3.315 1.00 0.00 C ATOM 1581 CG MET A 101 -11.230 -0.313 4.429 1.00 0.00 C ATOM 1582 SD MET A 101 -12.966 -0.799 4.456 1.00 0.00 S ATOM 1583 CE MET A 101 -12.867 -2.445 3.756 1.00 0.00 C ATOM 0 H MET A 101 -9.654 -1.303 2.480 1.00 0.00 H new ATOM 0 HA MET A 101 -12.099 -0.365 1.852 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.885 1.010 3.419 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.551 1.551 3.429 1.00 0.00 H new ATOM 0 HG2 MET A 101 -10.610 -1.201 4.309 1.00 0.00 H new ATOM 0 HG3 MET A 101 -10.966 0.132 5.388 1.00 0.00 H new ATOM 0 HE1 MET A 101 -13.854 -2.754 3.411 1.00 0.00 H new ATOM 0 HE2 MET A 101 -12.173 -2.442 2.915 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.513 -3.143 4.515 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.823 1.707 0.641 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.610 2.775 -0.329 1.00 0.00 C ATOM 1595 C LYS A 102 -10.135 2.374 -1.704 1.00 0.00 C ATOM 1596 O LYS A 102 -10.907 3.107 -2.322 1.00 0.00 O ATOM 1597 CB LYS A 102 -8.122 3.119 -0.420 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.498 3.480 0.917 1.00 0.00 C ATOM 1599 CD LYS A 102 -8.029 4.804 1.441 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.339 5.209 2.734 1.00 0.00 C ATOM 1601 NZ LYS A 102 -8.004 6.377 3.375 1.00 0.00 N ATOM 0 H LYS A 102 -8.975 1.389 1.111 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.160 3.654 0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.587 2.269 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.992 3.953 -1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.705 2.692 1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.415 3.538 0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.880 5.580 0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.103 4.725 1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.340 4.366 3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.297 5.452 2.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.504 6.622 4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.981 7.189 2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.992 6.137 3.594 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.712 1.206 -2.176 1.00 0.00 N ATOM 1616 CA ARG A 103 -10.141 0.708 -3.478 1.00 0.00 C ATOM 1617 C ARG A 103 -11.641 0.428 -3.486 1.00 0.00 C ATOM 1618 O ARG A 103 -12.394 1.052 -4.233 1.00 0.00 O ATOM 1619 CB ARG A 103 -9.371 -0.564 -3.840 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.919 -1.279 -5.064 1.00 0.00 C ATOM 1621 CD ARG A 103 -9.140 -2.551 -5.361 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.828 -3.401 -6.328 1.00 0.00 N ATOM 1623 CZ ARG A 103 -10.784 -4.263 -5.999 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -11.164 -4.386 -4.735 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -11.364 -5.002 -6.936 1.00 0.00 N ATOM 0 H ARG A 103 -9.073 0.587 -1.677 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.929 1.477 -4.221 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.326 -0.308 -4.016 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.393 -1.247 -2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.969 -1.523 -4.904 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.874 -0.614 -5.926 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.154 -2.291 -5.745 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.986 -3.106 -4.436 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.560 -3.329 -7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -10.722 -3.818 -4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -11.898 -5.049 -4.485 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.076 -4.909 -7.910 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -12.098 -5.663 -6.682 1.00 0.00 H new ATOM 1639 N TRP A 104 -12.066 -0.514 -2.652 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.475 -0.877 -2.564 1.00 0.00 C ATOM 1641 C TRP A 104 -14.355 0.366 -2.496 1.00 0.00 C ATOM 1642 O TRP A 104 -15.383 0.447 -3.166 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.721 -1.758 -1.338 1.00 0.00 C ATOM 1644 CG TRP A 104 -15.120 -1.666 -0.810 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -16.186 -2.438 -1.174 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.606 -0.747 0.175 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -17.305 -2.055 -0.474 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.975 -1.020 0.360 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -15.017 0.279 0.919 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.762 -0.304 1.258 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -15.799 0.989 1.810 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -17.159 0.695 1.974 1.00 0.00 C ATOM 0 H TRP A 104 -11.455 -1.040 -2.027 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.736 -1.436 -3.463 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -13.505 -2.795 -1.596 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -13.024 -1.474 -0.550 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.154 -3.233 -1.905 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -18.231 -2.474 -0.561 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.969 0.513 0.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.811 -0.529 1.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.354 1.784 2.390 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.743 1.268 2.679 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.943 1.333 -1.682 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.695 2.573 -1.527 1.00 0.00 C ATOM 1665 C GLU A 105 -14.939 3.234 -2.880 1.00 0.00 C ATOM 1666 O GLU A 105 -16.031 3.733 -3.152 1.00 0.00 O ATOM 1667 CB GLU A 105 -13.948 3.537 -0.603 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.308 3.376 0.864 1.00 0.00 C ATOM 1669 CD GLU A 105 -13.884 4.566 1.703 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -12.882 5.219 1.341 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -14.552 4.845 2.720 1.00 0.00 O ATOM 0 H GLU A 105 -13.093 1.282 -1.120 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.660 2.329 -1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.875 3.385 -0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.162 4.561 -0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.385 3.236 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.835 2.475 1.254 1.00 0.00 H new ATOM 1678 N PHE A 106 -13.914 3.234 -3.726 1.00 0.00 N ATOM 1679 CA PHE A 106 -14.015 3.834 -5.051 1.00 0.00 C ATOM 1680 C PHE A 106 -15.069 3.120 -5.893 1.00 0.00 C ATOM 1681 O PHE A 106 -15.819 3.753 -6.636 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.661 3.787 -5.761 1.00 0.00 C ATOM 1683 CG PHE A 106 -12.761 3.921 -7.253 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -13.387 5.017 -7.823 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.230 2.950 -8.086 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -13.481 5.144 -9.196 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.320 3.071 -9.460 1.00 0.00 C ATOM 1688 CZ PHE A 106 -12.947 4.169 -10.016 1.00 0.00 C ATOM 0 H PHE A 106 -13.003 2.825 -3.517 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.317 4.874 -4.929 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -12.029 4.586 -5.374 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -12.167 2.846 -5.521 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -13.807 5.782 -7.187 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -11.740 2.088 -7.657 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -13.971 6.004 -9.627 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -11.900 2.308 -10.098 1.00 0.00 H new ATOM 0 HZ PHE A 106 -13.020 4.265 -11.089 1.00 0.00 H new ATOM 1698 N HIS A 107 -15.118 1.798 -5.770 1.00 0.00 N ATOM 1699 CA HIS A 107 -16.079 0.996 -6.520 1.00 0.00 C ATOM 1700 C HIS A 107 -17.488 1.174 -5.961 1.00 0.00 C ATOM 1701 O HIS A 107 -18.398 1.602 -6.669 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.685 -0.481 -6.480 1.00 0.00 C ATOM 1703 CG HIS A 107 -14.333 -0.755 -7.063 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -14.061 -0.658 -8.412 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -13.172 -1.124 -6.472 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.792 -0.957 -8.625 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -12.231 -1.244 -7.465 1.00 0.00 N ATOM 0 H HIS A 107 -14.504 1.259 -5.159 1.00 0.00 H new ATOM 0 HA HIS A 107 -16.071 1.338 -7.555 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.703 -0.826 -5.446 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -16.430 -1.062 -7.023 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -14.734 -0.396 -9.132 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -13.015 -1.292 -5.417 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.297 -0.965 -9.585 1.00 0.00 H new