USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=24 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 97 GLN : amide:sc= -0.102 K(o=-0.1,f=-2.2!) USER MOD Set 1.2: A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 39 GLN : amide:sc= 1.07 K(o=2.2,f=0.33) USER MOD Set 2.2: A 41 TYR OH : rot -97:sc= 1.08 USER MOD Set 3.1: A 33 TYR OH : rot 173:sc= -0.472 USER MOD Set 3.2: A 38 CYS SG : rot 180:sc= 0.346 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.102 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -152:sc= 0.53 (180deg=-0.223) 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 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.678 USER MOD Single : A 43 SER OG : rot 108:sc= 0.12 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -140:sc= -1.16 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 180:sc= 0.116 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= -0.25 (180deg=-1.06) USER MOD Single : A 77 THR OG1 : rot -73:sc= -0.748 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -113:sc= -0.506 (180deg=-3.35!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0671) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 MET CE :methyl -167:sc= -1.6 (180deg=-2.25) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 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 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 110 N LEU A 10 -3.198 6.366 6.291 1.00 0.00 N ATOM 111 CA LEU A 10 -2.605 5.034 6.293 1.00 0.00 C ATOM 112 C LEU A 10 -1.148 5.086 5.846 1.00 0.00 C ATOM 113 O LEU A 10 -0.857 5.182 4.654 1.00 0.00 O ATOM 114 CB LEU A 10 -3.398 4.099 5.378 1.00 0.00 C ATOM 115 CG LEU A 10 -2.686 2.815 4.951 1.00 0.00 C ATOM 116 CD1 LEU A 10 -2.823 1.747 6.024 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.239 2.315 3.624 1.00 0.00 C ATOM 0 HA LEU A 10 -2.640 4.650 7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.324 3.826 5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.677 4.652 4.481 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.627 3.036 4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.310 0.840 5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.379 2.105 6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.878 1.528 6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.721 1.401 3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.305 2.111 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.088 3.075 2.857 1.00 0.00 H new ATOM 129 N CYS A 11 -0.236 5.020 6.810 1.00 0.00 N ATOM 130 CA CYS A 11 1.192 5.058 6.516 1.00 0.00 C ATOM 131 C CYS A 11 1.965 4.136 7.454 1.00 0.00 C ATOM 132 O CYS A 11 1.557 3.907 8.591 1.00 0.00 O ATOM 133 CB CYS A 11 1.721 6.488 6.637 1.00 0.00 C ATOM 134 SG CYS A 11 1.564 7.195 8.293 1.00 0.00 S ATOM 0 H CYS A 11 -0.460 4.940 7.802 1.00 0.00 H new ATOM 0 HA CYS A 11 1.337 4.710 5.493 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.771 6.501 6.346 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.186 7.123 5.930 1.00 0.00 H new ATOM 0 HG CYS A 11 2.040 8.405 8.295 1.00 0.00 H new ATOM 140 N GLY A 12 3.084 3.608 6.967 1.00 0.00 N ATOM 141 CA GLY A 12 3.896 2.715 7.773 1.00 0.00 C ATOM 142 C GLY A 12 5.159 2.276 7.060 1.00 0.00 C ATOM 143 O GLY A 12 5.217 2.276 5.830 1.00 0.00 O ATOM 0 H GLY A 12 3.443 3.783 6.028 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.163 3.214 8.705 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.309 1.836 8.039 1.00 0.00 H new ATOM 147 N TYR A 13 6.173 1.902 7.832 1.00 0.00 N ATOM 148 CA TYR A 13 7.443 1.462 7.266 1.00 0.00 C ATOM 149 C TYR A 13 7.394 -0.019 6.905 1.00 0.00 C ATOM 150 O TYR A 13 7.050 -0.862 7.734 1.00 0.00 O ATOM 151 CB TYR A 13 8.582 1.721 8.253 1.00 0.00 C ATOM 152 CG TYR A 13 9.147 3.121 8.172 1.00 0.00 C ATOM 153 CD1 TYR A 13 10.170 3.429 7.283 1.00 0.00 C ATOM 154 CD2 TYR A 13 8.657 4.137 8.983 1.00 0.00 C ATOM 155 CE1 TYR A 13 10.690 4.706 7.206 1.00 0.00 C ATOM 156 CE2 TYR A 13 9.170 5.418 8.912 1.00 0.00 C ATOM 157 CZ TYR A 13 10.186 5.698 8.023 1.00 0.00 C ATOM 158 OH TYR A 13 10.700 6.972 7.948 1.00 0.00 O ATOM 0 H TYR A 13 6.140 1.895 8.851 1.00 0.00 H new ATOM 0 HA TYR A 13 7.624 2.033 6.355 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.221 1.542 9.266 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.382 1.004 8.068 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.565 2.656 6.641 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.861 3.922 9.681 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.486 4.927 6.511 1.00 0.00 H new ATOM 0 HE2 TYR A 13 8.777 6.196 9.550 1.00 0.00 H new ATOM 0 HH TYR A 13 10.235 7.550 8.588 1.00 0.00 H new ATOM 168 N LEU A 14 7.743 -0.330 5.661 1.00 0.00 N ATOM 169 CA LEU A 14 7.741 -1.710 5.188 1.00 0.00 C ATOM 170 C LEU A 14 9.077 -2.067 4.544 1.00 0.00 C ATOM 171 O LEU A 14 9.853 -1.186 4.173 1.00 0.00 O ATOM 172 CB LEU A 14 6.605 -1.924 4.186 1.00 0.00 C ATOM 173 CG LEU A 14 5.186 -1.790 4.740 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.160 -2.016 3.640 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.967 -2.767 5.886 1.00 0.00 C ATOM 0 H LEU A 14 8.031 0.355 4.962 1.00 0.00 H new ATOM 0 HA LEU A 14 7.587 -2.363 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.725 -1.208 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.712 -2.919 3.753 1.00 0.00 H new ATOM 0 HG LEU A 14 5.060 -0.777 5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.156 -1.917 4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.303 -1.277 2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.285 -3.017 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.952 -2.658 6.268 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.112 -3.786 5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.680 -2.558 6.684 1.00 0.00 H new ATOM 187 N SER A 15 9.337 -3.363 4.413 1.00 0.00 N ATOM 188 CA SER A 15 10.580 -3.837 3.815 1.00 0.00 C ATOM 189 C SER A 15 10.348 -4.310 2.383 1.00 0.00 C ATOM 190 O SER A 15 9.722 -5.345 2.152 1.00 0.00 O ATOM 191 CB SER A 15 11.171 -4.974 4.651 1.00 0.00 C ATOM 192 OG SER A 15 11.907 -4.469 5.752 1.00 0.00 O ATOM 0 H SER A 15 8.704 -4.104 4.713 1.00 0.00 H new ATOM 0 HA SER A 15 11.285 -3.006 3.795 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.370 -5.619 5.011 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.820 -5.589 4.027 1.00 0.00 H new ATOM 0 HG SER A 15 12.273 -5.215 6.271 1.00 0.00 H new ATOM 198 N LYS A 16 10.858 -3.545 1.424 1.00 0.00 N ATOM 199 CA LYS A 16 10.710 -3.884 0.014 1.00 0.00 C ATOM 200 C LYS A 16 11.783 -4.875 -0.423 1.00 0.00 C ATOM 201 O LYS A 16 12.974 -4.563 -0.406 1.00 0.00 O ATOM 202 CB LYS A 16 10.786 -2.621 -0.846 1.00 0.00 C ATOM 203 CG LYS A 16 10.009 -2.723 -2.147 1.00 0.00 C ATOM 204 CD LYS A 16 10.047 -1.417 -2.923 1.00 0.00 C ATOM 205 CE LYS A 16 8.942 -1.356 -3.967 1.00 0.00 C ATOM 206 NZ LYS A 16 7.683 -0.789 -3.409 1.00 0.00 N ATOM 0 H LYS A 16 11.378 -2.685 1.598 1.00 0.00 H new ATOM 0 HA LYS A 16 9.734 -4.350 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.406 -1.777 -0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.831 -2.408 -1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.426 -3.523 -2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.974 -2.991 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.944 -0.580 -2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.016 -1.310 -3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.272 -0.749 -4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.750 -2.358 -4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.869 -1.174 -3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.604 -1.043 -2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.696 0.247 -3.505 1.00 0.00 H new ATOM 220 N PHE A 17 11.355 -6.070 -0.816 1.00 0.00 N ATOM 221 CA PHE A 17 12.280 -7.107 -1.259 1.00 0.00 C ATOM 222 C PHE A 17 12.842 -6.780 -2.639 1.00 0.00 C ATOM 223 O PHE A 17 12.109 -6.735 -3.626 1.00 0.00 O ATOM 224 CB PHE A 17 11.579 -8.466 -1.290 1.00 0.00 C ATOM 225 CG PHE A 17 12.520 -9.622 -1.477 1.00 0.00 C ATOM 226 CD1 PHE A 17 13.349 -10.032 -0.445 1.00 0.00 C ATOM 227 CD2 PHE A 17 12.575 -10.299 -2.685 1.00 0.00 C ATOM 228 CE1 PHE A 17 14.216 -11.094 -0.615 1.00 0.00 C ATOM 229 CE2 PHE A 17 13.440 -11.363 -2.861 1.00 0.00 C ATOM 230 CZ PHE A 17 14.261 -11.761 -1.824 1.00 0.00 C ATOM 0 H PHE A 17 10.373 -6.345 -0.837 1.00 0.00 H new ATOM 0 HA PHE A 17 13.107 -7.149 -0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 17 11.028 -8.603 -0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.847 -8.470 -2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.317 -9.515 0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.935 -9.992 -3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.858 -11.403 0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 17 13.474 -11.882 -3.808 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.937 -12.592 -1.958 1.00 0.00 H new ATOM 347 N TRP A 26 15.785 -8.058 1.576 1.00 0.00 N ATOM 348 CA TRP A 26 14.801 -7.091 2.046 1.00 0.00 C ATOM 349 C TRP A 26 15.428 -5.711 2.209 1.00 0.00 C ATOM 350 O TRP A 26 16.582 -5.587 2.621 1.00 0.00 O ATOM 351 CB TRP A 26 14.198 -7.550 3.375 1.00 0.00 C ATOM 352 CG TRP A 26 13.383 -8.803 3.255 1.00 0.00 C ATOM 353 CD1 TRP A 26 13.787 -10.074 3.547 1.00 0.00 C ATOM 354 CD2 TRP A 26 12.026 -8.903 2.811 1.00 0.00 C ATOM 355 NE1 TRP A 26 12.763 -10.959 3.310 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.671 -10.266 2.859 1.00 0.00 C ATOM 357 CE3 TRP A 26 11.074 -7.975 2.380 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.408 -10.719 2.491 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.821 -8.426 2.014 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.496 -9.788 2.072 1.00 0.00 C ATOM 0 HA TRP A 26 14.010 -7.024 1.299 1.00 0.00 H new ATOM 0 HB2 TRP A 26 15.001 -7.715 4.093 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.571 -6.754 3.776 1.00 0.00 H new ATOM 0 HD1 TRP A 26 14.767 -10.344 3.911 1.00 0.00 H new ATOM 0 HE1 TRP A 26 12.809 -11.969 3.448 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.314 -6.923 2.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.156 -11.768 2.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 9.079 -7.717 1.677 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.507 -10.109 1.781 1.00 0.00 H new ATOM 371 N LYS A 27 14.662 -4.675 1.884 1.00 0.00 N ATOM 372 CA LYS A 27 15.142 -3.303 1.995 1.00 0.00 C ATOM 373 C LYS A 27 14.137 -2.434 2.745 1.00 0.00 C ATOM 374 O LYS A 27 12.939 -2.474 2.466 1.00 0.00 O ATOM 375 CB LYS A 27 15.403 -2.717 0.606 1.00 0.00 C ATOM 376 CG LYS A 27 16.776 -3.054 0.051 1.00 0.00 C ATOM 377 CD LYS A 27 17.049 -2.317 -1.249 1.00 0.00 C ATOM 378 CE LYS A 27 18.523 -2.367 -1.619 1.00 0.00 C ATOM 379 NZ LYS A 27 18.808 -1.605 -2.867 1.00 0.00 N ATOM 0 H LYS A 27 13.705 -4.760 1.541 1.00 0.00 H new ATOM 0 HA LYS A 27 16.076 -3.316 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.642 -3.084 -0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.295 -1.633 0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.539 -2.795 0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.848 -4.129 -0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.457 -2.759 -2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.732 -1.279 -1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.117 -1.959 -0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.830 -3.405 -1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.823 -1.663 -3.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.261 -2.010 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.539 -0.609 -2.735 1.00 0.00 H new ATOM 393 N SER A 28 14.634 -1.648 3.695 1.00 0.00 N ATOM 394 CA SER A 28 13.778 -0.771 4.486 1.00 0.00 C ATOM 395 C SER A 28 13.299 0.415 3.654 1.00 0.00 C ATOM 396 O SER A 28 14.103 1.211 3.168 1.00 0.00 O ATOM 397 CB SER A 28 14.528 -0.272 5.722 1.00 0.00 C ATOM 398 OG SER A 28 14.693 -1.310 6.673 1.00 0.00 O ATOM 0 H SER A 28 15.624 -1.600 3.936 1.00 0.00 H new ATOM 0 HA SER A 28 12.907 -1.344 4.805 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.504 0.114 5.428 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.981 0.555 6.174 1.00 0.00 H new ATOM 0 HG SER A 28 15.177 -0.966 7.453 1.00 0.00 H new ATOM 404 N ARG A 29 11.984 0.525 3.494 1.00 0.00 N ATOM 405 CA ARG A 29 11.397 1.612 2.720 1.00 0.00 C ATOM 406 C ARG A 29 10.199 2.213 3.450 1.00 0.00 C ATOM 407 O ARG A 29 9.506 1.524 4.198 1.00 0.00 O ATOM 408 CB ARG A 29 10.968 1.110 1.340 1.00 0.00 C ATOM 409 CG ARG A 29 11.024 2.178 0.260 1.00 0.00 C ATOM 410 CD ARG A 29 12.391 2.228 -0.404 1.00 0.00 C ATOM 411 NE ARG A 29 12.311 2.679 -1.790 1.00 0.00 N ATOM 412 CZ ARG A 29 13.231 2.402 -2.708 1.00 0.00 C ATOM 413 NH1 ARG A 29 14.295 1.679 -2.388 1.00 0.00 N ATOM 414 NH2 ARG A 29 13.087 2.848 -3.949 1.00 0.00 N ATOM 0 H ARG A 29 11.305 -0.125 3.890 1.00 0.00 H new ATOM 0 HA ARG A 29 12.153 2.388 2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.609 0.278 1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.951 0.722 1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.260 1.977 -0.492 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.794 3.150 0.696 1.00 0.00 H new ATOM 0 HD2 ARG A 29 13.042 2.898 0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.846 1.238 -0.371 1.00 0.00 H new ATOM 0 HE ARG A 29 11.504 3.238 -2.069 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.409 1.334 -1.435 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.000 1.468 -3.095 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.269 3.404 -4.199 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.794 2.635 -4.653 1.00 0.00 H new ATOM 428 N TRP A 30 9.963 3.501 3.227 1.00 0.00 N ATOM 429 CA TRP A 30 8.849 4.195 3.864 1.00 0.00 C ATOM 430 C TRP A 30 7.648 4.268 2.928 1.00 0.00 C ATOM 431 O TRP A 30 7.698 4.925 1.888 1.00 0.00 O ATOM 432 CB TRP A 30 9.272 5.604 4.283 1.00 0.00 C ATOM 433 CG TRP A 30 8.117 6.488 4.643 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.791 7.684 4.069 1.00 0.00 C ATOM 435 CD2 TRP A 30 7.137 6.247 5.658 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.667 8.201 4.667 1.00 0.00 N ATOM 437 CE2 TRP A 30 6.246 7.338 5.644 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.924 5.216 6.576 1.00 0.00 C ATOM 439 CZ2 TRP A 30 5.162 7.425 6.514 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.848 5.303 7.439 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.978 6.400 7.402 1.00 0.00 C ATOM 0 H TRP A 30 10.527 4.086 2.611 1.00 0.00 H new ATOM 0 HA TRP A 30 8.561 3.631 4.751 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.947 5.534 5.136 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.833 6.064 3.470 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.336 8.154 3.264 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.219 9.084 4.423 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.589 4.365 6.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.491 8.271 6.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.675 4.512 8.154 1.00 0.00 H new ATOM 0 HH2 TRP A 30 4.145 6.438 8.088 1.00 0.00 H new ATOM 452 N PHE A 31 6.568 3.590 3.304 1.00 0.00 N ATOM 453 CA PHE A 31 5.353 3.579 2.498 1.00 0.00 C ATOM 454 C PHE A 31 4.278 4.464 3.121 1.00 0.00 C ATOM 455 O PHE A 31 4.149 4.536 4.343 1.00 0.00 O ATOM 456 CB PHE A 31 4.829 2.149 2.348 1.00 0.00 C ATOM 457 CG PHE A 31 5.680 1.289 1.458 1.00 0.00 C ATOM 458 CD1 PHE A 31 6.808 0.656 1.956 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.352 1.112 0.124 1.00 0.00 C ATOM 460 CE1 PHE A 31 7.593 -0.135 1.140 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.133 0.321 -0.698 1.00 0.00 C ATOM 462 CZ PHE A 31 7.254 -0.304 -0.189 1.00 0.00 C ATOM 0 H PHE A 31 6.510 3.041 4.162 1.00 0.00 H new ATOM 0 HA PHE A 31 5.597 3.975 1.512 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.767 1.688 3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.816 2.182 1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.076 0.783 2.994 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.476 1.598 -0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.471 -0.621 1.540 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.867 0.192 -1.737 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.865 -0.924 -0.828 1.00 0.00 H new ATOM 472 N PHE A 32 3.509 5.137 2.272 1.00 0.00 N ATOM 473 CA PHE A 32 2.446 6.020 2.738 1.00 0.00 C ATOM 474 C PHE A 32 1.406 6.243 1.644 1.00 0.00 C ATOM 475 O PHE A 32 1.739 6.643 0.528 1.00 0.00 O ATOM 476 CB PHE A 32 3.028 7.362 3.186 1.00 0.00 C ATOM 477 CG PHE A 32 3.507 8.217 2.049 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.610 8.953 1.291 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.856 8.284 1.736 1.00 0.00 C ATOM 480 CE1 PHE A 32 3.049 9.741 0.244 1.00 0.00 C ATOM 481 CE2 PHE A 32 5.300 9.071 0.690 1.00 0.00 C ATOM 482 CZ PHE A 32 4.395 9.800 -0.058 1.00 0.00 C ATOM 0 H PHE A 32 3.602 5.088 1.257 1.00 0.00 H new ATOM 0 HA PHE A 32 1.957 5.543 3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.270 7.909 3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.859 7.179 3.868 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.556 8.910 1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.568 7.715 2.316 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.339 10.311 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.354 9.116 0.457 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.740 10.414 -0.877 1.00 0.00 H new ATOM 492 N TYR A 33 0.145 5.982 1.972 1.00 0.00 N ATOM 493 CA TYR A 33 -0.944 6.151 1.017 1.00 0.00 C ATOM 494 C TYR A 33 -1.372 7.613 0.933 1.00 0.00 C ATOM 495 O TYR A 33 -1.315 8.346 1.920 1.00 0.00 O ATOM 496 CB TYR A 33 -2.137 5.281 1.414 1.00 0.00 C ATOM 497 CG TYR A 33 -3.431 5.686 0.745 1.00 0.00 C ATOM 498 CD1 TYR A 33 -4.104 6.839 1.130 1.00 0.00 C ATOM 499 CD2 TYR A 33 -3.981 4.916 -0.272 1.00 0.00 C ATOM 500 CE1 TYR A 33 -5.287 7.213 0.522 1.00 0.00 C ATOM 501 CE2 TYR A 33 -5.162 5.282 -0.887 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.812 6.432 -0.487 1.00 0.00 C ATOM 503 OH TYR A 33 -6.989 6.800 -1.096 1.00 0.00 O ATOM 0 H TYR A 33 -0.148 5.653 2.892 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.586 5.839 0.036 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.918 4.243 1.164 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.266 5.328 2.495 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.695 7.454 1.918 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.476 4.015 -0.587 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.798 8.112 0.835 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.575 4.672 -1.677 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.162 6.208 -1.858 1.00 0.00 H new ATOM 513 N ASP A 34 -1.800 8.029 -0.254 1.00 0.00 N ATOM 514 CA ASP A 34 -2.240 9.403 -0.469 1.00 0.00 C ATOM 515 C ASP A 34 -3.756 9.470 -0.627 1.00 0.00 C ATOM 516 O ASP A 34 -4.349 8.671 -1.351 1.00 0.00 O ATOM 517 CB ASP A 34 -1.559 9.991 -1.705 1.00 0.00 C ATOM 518 CG ASP A 34 -1.528 11.507 -1.684 1.00 0.00 C ATOM 519 OD1 ASP A 34 -1.314 12.080 -0.595 1.00 0.00 O ATOM 520 OD2 ASP A 34 -1.719 12.120 -2.755 1.00 0.00 O ATOM 0 H ASP A 34 -1.852 7.435 -1.082 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.958 9.990 0.405 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.540 9.611 -1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.083 9.654 -2.600 1.00 0.00 H new ATOM 525 N GLU A 35 -4.376 10.427 0.055 1.00 0.00 N ATOM 526 CA GLU A 35 -5.823 10.596 -0.009 1.00 0.00 C ATOM 527 C GLU A 35 -6.199 11.696 -0.998 1.00 0.00 C ATOM 528 O GLU A 35 -7.256 12.316 -0.880 1.00 0.00 O ATOM 529 CB GLU A 35 -6.382 10.927 1.376 1.00 0.00 C ATOM 530 CG GLU A 35 -5.669 12.081 2.060 1.00 0.00 C ATOM 531 CD GLU A 35 -6.549 12.795 3.068 1.00 0.00 C ATOM 532 OE1 GLU A 35 -7.736 13.029 2.757 1.00 0.00 O ATOM 533 OE2 GLU A 35 -6.051 13.121 4.166 1.00 0.00 O ATOM 0 H GLU A 35 -3.899 11.097 0.658 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.258 9.658 -0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.441 11.169 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.312 10.042 2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.778 11.706 2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.334 12.794 1.307 1.00 0.00 H new ATOM 540 N ARG A 36 -5.325 11.932 -1.971 1.00 0.00 N ATOM 541 CA ARG A 36 -5.564 12.958 -2.979 1.00 0.00 C ATOM 542 C ARG A 36 -5.840 12.328 -4.341 1.00 0.00 C ATOM 543 O ARG A 36 -6.795 12.696 -5.026 1.00 0.00 O ATOM 544 CB ARG A 36 -4.361 13.899 -3.075 1.00 0.00 C ATOM 545 CG ARG A 36 -4.007 14.570 -1.758 1.00 0.00 C ATOM 546 CD ARG A 36 -3.271 15.882 -1.982 1.00 0.00 C ATOM 547 NE ARG A 36 -3.329 16.749 -0.808 1.00 0.00 N ATOM 548 CZ ARG A 36 -2.816 17.974 -0.773 1.00 0.00 C ATOM 549 NH1 ARG A 36 -2.211 18.473 -1.841 1.00 0.00 N ATOM 550 NH2 ARG A 36 -2.908 18.701 0.333 1.00 0.00 N ATOM 0 H ARG A 36 -4.446 11.427 -2.083 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.441 13.530 -2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.498 13.336 -3.430 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.569 14.667 -3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.917 14.755 -1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.387 13.900 -1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.230 15.676 -2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.705 16.400 -2.837 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.788 16.395 0.031 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.138 17.916 -2.693 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.818 19.414 -1.812 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.373 18.319 1.157 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.514 19.641 0.359 1.00 0.00 H new ATOM 564 N LYS A 37 -4.998 11.376 -4.729 1.00 0.00 N ATOM 565 CA LYS A 37 -5.150 10.694 -6.008 1.00 0.00 C ATOM 566 C LYS A 37 -5.593 9.248 -5.804 1.00 0.00 C ATOM 567 O LYS A 37 -5.894 8.540 -6.766 1.00 0.00 O ATOM 568 CB LYS A 37 -3.834 10.730 -6.788 1.00 0.00 C ATOM 569 CG LYS A 37 -3.248 12.124 -6.929 1.00 0.00 C ATOM 570 CD LYS A 37 -2.210 12.183 -8.036 1.00 0.00 C ATOM 571 CE LYS A 37 -1.240 13.337 -7.830 1.00 0.00 C ATOM 572 NZ LYS A 37 -0.472 13.644 -9.068 1.00 0.00 N ATOM 0 H LYS A 37 -4.202 11.059 -4.175 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.919 11.214 -6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.108 10.089 -6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.999 10.312 -7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.046 12.836 -7.139 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.793 12.425 -5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.658 11.244 -8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.709 12.293 -8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.791 14.223 -7.516 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.548 13.090 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.177 14.436 -8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.074 12.807 -9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.131 13.904 -9.830 1.00 0.00 H new ATOM 586 N CYS A 38 -5.633 8.818 -4.548 1.00 0.00 N ATOM 587 CA CYS A 38 -6.040 7.457 -4.218 1.00 0.00 C ATOM 588 C CYS A 38 -4.975 6.452 -4.646 1.00 0.00 C ATOM 589 O CYS A 38 -5.288 5.412 -5.225 1.00 0.00 O ATOM 590 CB CYS A 38 -7.373 7.124 -4.891 1.00 0.00 C ATOM 591 SG CYS A 38 -8.360 5.896 -4.005 1.00 0.00 S ATOM 0 H CYS A 38 -5.389 9.392 -3.741 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.161 7.392 -3.137 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.956 8.040 -4.991 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.178 6.759 -5.899 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.468 5.683 -4.650 1.00 0.00 H new ATOM 597 N GLN A 39 -3.718 6.772 -4.358 1.00 0.00 N ATOM 598 CA GLN A 39 -2.607 5.897 -4.716 1.00 0.00 C ATOM 599 C GLN A 39 -1.683 5.676 -3.523 1.00 0.00 C ATOM 600 O GLN A 39 -1.735 6.414 -2.539 1.00 0.00 O ATOM 601 CB GLN A 39 -1.818 6.491 -5.884 1.00 0.00 C ATOM 602 CG GLN A 39 -2.480 6.278 -7.236 1.00 0.00 C ATOM 603 CD GLN A 39 -1.699 6.905 -8.374 1.00 0.00 C ATOM 604 OE1 GLN A 39 -1.070 7.951 -8.208 1.00 0.00 O ATOM 605 NE2 GLN A 39 -1.734 6.268 -9.538 1.00 0.00 N ATOM 0 H GLN A 39 -3.443 7.629 -3.879 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.018 4.934 -5.018 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.687 7.560 -5.717 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.823 6.047 -5.902 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.587 5.209 -7.419 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.485 6.700 -7.215 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.268 5.404 -9.631 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.227 6.643 -10.340 1.00 0.00 H new ATOM 614 N LEU A 40 -0.837 4.655 -3.618 1.00 0.00 N ATOM 615 CA LEU A 40 0.099 4.336 -2.546 1.00 0.00 C ATOM 616 C LEU A 40 1.515 4.770 -2.913 1.00 0.00 C ATOM 617 O LEU A 40 2.181 4.128 -3.724 1.00 0.00 O ATOM 618 CB LEU A 40 0.074 2.836 -2.250 1.00 0.00 C ATOM 619 CG LEU A 40 1.005 2.355 -1.136 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.516 2.848 0.217 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.110 0.837 -1.146 1.00 0.00 C ATOM 0 H LEU A 40 -0.781 4.035 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.209 4.881 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.946 2.554 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.329 2.301 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 40 1.998 2.769 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.190 2.496 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.493 3.938 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.487 2.464 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.776 0.513 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.122 0.403 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.507 0.506 -2.106 1.00 0.00 H new ATOM 633 N TYR A 41 1.968 5.863 -2.308 1.00 0.00 N ATOM 634 CA TYR A 41 3.305 6.383 -2.571 1.00 0.00 C ATOM 635 C TYR A 41 4.286 5.932 -1.494 1.00 0.00 C ATOM 636 O TYR A 41 3.912 5.746 -0.335 1.00 0.00 O ATOM 637 CB TYR A 41 3.275 7.911 -2.643 1.00 0.00 C ATOM 638 CG TYR A 41 2.356 8.448 -3.716 1.00 0.00 C ATOM 639 CD1 TYR A 41 0.976 8.406 -3.562 1.00 0.00 C ATOM 640 CD2 TYR A 41 2.868 9.000 -4.884 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.132 8.895 -4.541 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.032 9.493 -5.868 1.00 0.00 C ATOM 643 CZ TYR A 41 0.665 9.438 -5.691 1.00 0.00 C ATOM 644 OH TYR A 41 -0.172 9.928 -6.668 1.00 0.00 O ATOM 0 H TYR A 41 1.429 6.406 -1.633 1.00 0.00 H new ATOM 0 HA TYR A 41 3.640 5.987 -3.530 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.961 8.306 -1.677 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.285 8.278 -2.825 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.555 7.984 -2.661 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.938 9.045 -5.025 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.939 8.852 -4.406 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.446 9.919 -6.770 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.301 9.246 -7.360 1.00 0.00 H new ATOM 654 N TYR A 42 5.544 5.760 -1.884 1.00 0.00 N ATOM 655 CA TYR A 42 6.581 5.330 -0.953 1.00 0.00 C ATOM 656 C TYR A 42 7.923 5.966 -1.301 1.00 0.00 C ATOM 657 O TYR A 42 8.213 6.233 -2.467 1.00 0.00 O ATOM 658 CB TYR A 42 6.707 3.805 -0.967 1.00 0.00 C ATOM 659 CG TYR A 42 7.303 3.258 -2.244 1.00 0.00 C ATOM 660 CD1 TYR A 42 8.679 3.224 -2.433 1.00 0.00 C ATOM 661 CD2 TYR A 42 6.490 2.777 -3.263 1.00 0.00 C ATOM 662 CE1 TYR A 42 9.228 2.726 -3.599 1.00 0.00 C ATOM 663 CE2 TYR A 42 7.030 2.276 -4.431 1.00 0.00 C ATOM 664 CZ TYR A 42 8.400 2.253 -4.595 1.00 0.00 C ATOM 665 OH TYR A 42 8.942 1.755 -5.758 1.00 0.00 O ATOM 0 H TYR A 42 5.871 5.912 -2.838 1.00 0.00 H new ATOM 0 HA TYR A 42 6.294 5.655 0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.324 3.492 -0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.720 3.366 -0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.331 3.593 -1.655 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.417 2.795 -3.139 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.300 2.707 -3.730 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.383 1.904 -5.212 1.00 0.00 H new ATOM 0 HH TYR A 42 8.222 1.462 -6.355 1.00 0.00 H new ATOM 675 N SER A 43 8.740 6.204 -0.280 1.00 0.00 N ATOM 676 CA SER A 43 10.052 6.811 -0.476 1.00 0.00 C ATOM 677 C SER A 43 11.090 6.168 0.439 1.00 0.00 C ATOM 678 O SER A 43 10.745 5.490 1.407 1.00 0.00 O ATOM 679 CB SER A 43 9.985 8.316 -0.212 1.00 0.00 C ATOM 680 OG SER A 43 9.036 8.615 0.797 1.00 0.00 O ATOM 0 H SER A 43 8.517 5.986 0.691 1.00 0.00 H new ATOM 0 HA SER A 43 10.352 6.644 -1.511 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.967 8.680 0.089 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.720 8.838 -1.131 1.00 0.00 H new ATOM 0 HG SER A 43 9.503 8.886 1.615 1.00 0.00 H new ATOM 686 N ARG A 44 12.362 6.387 0.125 1.00 0.00 N ATOM 687 CA ARG A 44 13.452 5.829 0.917 1.00 0.00 C ATOM 688 C ARG A 44 13.256 6.132 2.400 1.00 0.00 C ATOM 689 O ARG A 44 13.549 5.299 3.259 1.00 0.00 O ATOM 690 CB ARG A 44 14.794 6.390 0.444 1.00 0.00 C ATOM 691 CG ARG A 44 14.717 7.830 -0.038 1.00 0.00 C ATOM 692 CD ARG A 44 16.089 8.484 -0.063 1.00 0.00 C ATOM 693 NE ARG A 44 16.748 8.325 -1.356 1.00 0.00 N ATOM 694 CZ ARG A 44 18.063 8.404 -1.525 1.00 0.00 C ATOM 695 NH1 ARG A 44 18.856 8.638 -0.488 1.00 0.00 N ATOM 696 NH2 ARG A 44 18.589 8.248 -2.734 1.00 0.00 N ATOM 0 H ARG A 44 12.664 6.947 -0.672 1.00 0.00 H new ATOM 0 HA ARG A 44 13.450 4.748 0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.513 6.327 1.261 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.175 5.765 -0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.282 7.857 -1.037 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.054 8.398 0.614 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.989 9.545 0.165 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.713 8.048 0.718 1.00 0.00 H new ATOM 0 HE ARG A 44 16.167 8.143 -2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 44 18.456 8.758 0.443 1.00 0.00 H new ATOM 0 HH12 ARG A 44 19.865 8.698 -0.621 1.00 0.00 H new ATOM 0 HH21 ARG A 44 17.983 8.067 -3.534 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.599 8.309 -2.862 1.00 0.00 H new ATOM 710 N THR A 45 12.759 7.329 2.694 1.00 0.00 N ATOM 711 CA THR A 45 12.526 7.742 4.072 1.00 0.00 C ATOM 712 C THR A 45 11.380 8.744 4.159 1.00 0.00 C ATOM 713 O THR A 45 11.006 9.362 3.163 1.00 0.00 O ATOM 714 CB THR A 45 13.789 8.369 4.692 1.00 0.00 C ATOM 715 OG1 THR A 45 13.859 9.760 4.360 1.00 0.00 O ATOM 716 CG2 THR A 45 15.042 7.661 4.200 1.00 0.00 C ATOM 0 H THR A 45 12.510 8.030 1.996 1.00 0.00 H new ATOM 0 HA THR A 45 12.263 6.844 4.631 1.00 0.00 H new ATOM 0 HB THR A 45 13.729 8.257 5.775 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.664 10.152 4.759 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.921 8.121 4.651 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.999 6.609 4.480 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.105 7.745 3.115 1.00 0.00 H new ATOM 787 N PRO A 51 7.905 11.310 -3.256 1.00 0.00 N ATOM 788 CA PRO A 51 7.805 9.848 -3.293 1.00 0.00 C ATOM 789 C PRO A 51 8.518 9.248 -4.500 1.00 0.00 C ATOM 790 O PRO A 51 8.332 9.698 -5.631 1.00 0.00 O ATOM 791 CB PRO A 51 6.297 9.598 -3.384 1.00 0.00 C ATOM 792 CG PRO A 51 5.746 10.834 -4.008 1.00 0.00 C ATOM 793 CD PRO A 51 6.614 11.963 -3.527 1.00 0.00 C ATOM 0 HA PRO A 51 8.276 9.385 -2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.077 8.718 -3.988 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.864 9.425 -2.399 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.764 10.764 -5.096 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.707 10.989 -3.716 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.710 12.745 -4.280 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.205 12.431 -2.632 1.00 0.00 H new ATOM 801 N LEU A 52 9.334 8.229 -4.252 1.00 0.00 N ATOM 802 CA LEU A 52 10.075 7.566 -5.320 1.00 0.00 C ATOM 803 C LEU A 52 9.127 6.993 -6.367 1.00 0.00 C ATOM 804 O LEU A 52 9.223 7.319 -7.551 1.00 0.00 O ATOM 805 CB LEU A 52 10.950 6.452 -4.743 1.00 0.00 C ATOM 806 CG LEU A 52 12.027 6.889 -3.750 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.672 5.678 -3.094 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.077 7.745 -4.443 1.00 0.00 C ATOM 0 H LEU A 52 9.499 7.844 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 52 10.712 8.308 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.302 5.728 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.436 5.934 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 52 11.554 7.489 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.436 6.009 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.913 5.105 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.130 5.051 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 52 13.835 8.047 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.545 7.170 -5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.603 8.632 -4.864 1.00 0.00 H new ATOM 820 N ASP A 53 8.210 6.140 -5.924 1.00 0.00 N ATOM 821 CA ASP A 53 7.240 5.525 -6.823 1.00 0.00 C ATOM 822 C ASP A 53 5.919 5.268 -6.104 1.00 0.00 C ATOM 823 O ASP A 53 5.876 5.177 -4.877 1.00 0.00 O ATOM 824 CB ASP A 53 7.794 4.213 -7.383 1.00 0.00 C ATOM 825 CG ASP A 53 8.580 4.416 -8.663 1.00 0.00 C ATOM 826 OD1 ASP A 53 8.321 5.415 -9.365 1.00 0.00 O ATOM 827 OD2 ASP A 53 9.454 3.575 -8.962 1.00 0.00 O ATOM 0 H ASP A 53 8.118 5.859 -4.948 1.00 0.00 H new ATOM 0 HA ASP A 53 7.056 6.215 -7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.436 3.745 -6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.970 3.525 -7.571 1.00 0.00 H new ATOM 832 N SER A 54 4.844 5.154 -6.876 1.00 0.00 N ATOM 833 CA SER A 54 3.520 4.913 -6.313 1.00 0.00 C ATOM 834 C SER A 54 2.891 3.663 -6.921 1.00 0.00 C ATOM 835 O SER A 54 3.331 3.178 -7.963 1.00 0.00 O ATOM 836 CB SER A 54 2.613 6.122 -6.552 1.00 0.00 C ATOM 837 OG SER A 54 1.257 5.727 -6.667 1.00 0.00 O ATOM 0 H SER A 54 4.863 5.225 -7.893 1.00 0.00 H new ATOM 0 HA SER A 54 3.631 4.758 -5.240 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.721 6.829 -5.730 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.923 6.639 -7.460 1.00 0.00 H new ATOM 0 HG SER A 54 0.823 6.248 -7.375 1.00 0.00 H new ATOM 843 N ILE A 55 1.859 3.148 -6.261 1.00 0.00 N ATOM 844 CA ILE A 55 1.168 1.955 -6.735 1.00 0.00 C ATOM 845 C ILE A 55 -0.342 2.168 -6.759 1.00 0.00 C ATOM 846 O ILE A 55 -0.959 2.424 -5.725 1.00 0.00 O ATOM 847 CB ILE A 55 1.489 0.732 -5.857 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.003 0.565 -5.709 1.00 0.00 C ATOM 849 CG2 ILE A 55 0.868 -0.524 -6.451 1.00 0.00 C ATOM 850 CD1 ILE A 55 3.583 1.327 -4.538 1.00 0.00 C ATOM 0 H ILE A 55 1.483 3.538 -5.397 1.00 0.00 H new ATOM 0 HA ILE A 55 1.522 1.767 -7.748 1.00 0.00 H new ATOM 0 HB ILE A 55 1.062 0.892 -4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.234 -0.494 -5.593 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.489 0.899 -6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.104 -1.380 -5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.214 -0.403 -6.509 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.269 -0.690 -7.451 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.660 1.163 -4.494 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.383 2.391 -4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.125 0.977 -3.613 1.00 0.00 H new ATOM 862 N ASP A 56 -0.930 2.057 -7.945 1.00 0.00 N ATOM 863 CA ASP A 56 -2.369 2.235 -8.104 1.00 0.00 C ATOM 864 C ASP A 56 -3.132 1.074 -7.473 1.00 0.00 C ATOM 865 O ASP A 56 -3.236 -0.005 -8.058 1.00 0.00 O ATOM 866 CB ASP A 56 -2.729 2.353 -9.585 1.00 0.00 C ATOM 867 CG ASP A 56 -4.222 2.246 -9.829 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.930 3.252 -9.621 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.681 1.154 -10.227 1.00 0.00 O ATOM 0 H ASP A 56 -0.433 1.845 -8.810 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.656 3.155 -7.594 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.369 3.308 -9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.216 1.571 -10.144 1.00 0.00 H new ATOM 874 N LEU A 57 -3.664 1.302 -6.278 1.00 0.00 N ATOM 875 CA LEU A 57 -4.418 0.275 -5.567 1.00 0.00 C ATOM 876 C LEU A 57 -5.782 0.055 -6.213 1.00 0.00 C ATOM 877 O LEU A 57 -6.469 -0.922 -5.917 1.00 0.00 O ATOM 878 CB LEU A 57 -4.594 0.668 -4.099 1.00 0.00 C ATOM 879 CG LEU A 57 -3.330 1.127 -3.371 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.665 1.594 -1.963 1.00 0.00 C ATOM 881 CD2 LEU A 57 -2.301 0.007 -3.332 1.00 0.00 C ATOM 0 H LEU A 57 -3.587 2.189 -5.780 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.856 -0.657 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.332 1.468 -4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.009 -0.185 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.903 1.967 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.753 1.917 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.366 2.427 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.116 0.773 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.408 0.351 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.719 -0.853 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.038 -0.281 -4.350 1.00 0.00 H new ATOM 893 N SER A 58 -6.165 0.968 -7.099 1.00 0.00 N ATOM 894 CA SER A 58 -7.448 0.874 -7.787 1.00 0.00 C ATOM 895 C SER A 58 -7.569 -0.452 -8.532 1.00 0.00 C ATOM 896 O SER A 58 -8.653 -1.030 -8.620 1.00 0.00 O ATOM 897 CB SER A 58 -7.611 2.039 -8.766 1.00 0.00 C ATOM 898 OG SER A 58 -8.965 2.189 -9.158 1.00 0.00 O ATOM 0 H SER A 58 -5.606 1.781 -7.358 1.00 0.00 H new ATOM 0 HA SER A 58 -8.239 0.924 -7.039 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.259 2.960 -8.302 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.991 1.868 -9.646 1.00 0.00 H new ATOM 0 HG SER A 58 -9.044 2.940 -9.782 1.00 0.00 H new ATOM 904 N SER A 59 -6.449 -0.928 -9.066 1.00 0.00 N ATOM 905 CA SER A 59 -6.430 -2.184 -9.806 1.00 0.00 C ATOM 906 C SER A 59 -5.349 -3.116 -9.267 1.00 0.00 C ATOM 907 O SER A 59 -4.831 -3.967 -9.989 1.00 0.00 O ATOM 908 CB SER A 59 -6.194 -1.920 -11.295 1.00 0.00 C ATOM 909 OG SER A 59 -7.421 -1.726 -11.978 1.00 0.00 O ATOM 0 H SER A 59 -5.543 -0.463 -9.000 1.00 0.00 H new ATOM 0 HA SER A 59 -7.399 -2.667 -9.678 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.563 -1.039 -11.416 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.657 -2.760 -11.736 1.00 0.00 H new ATOM 0 HG SER A 59 -7.244 -1.557 -12.927 1.00 0.00 H new ATOM 915 N ALA A 60 -5.013 -2.947 -7.992 1.00 0.00 N ATOM 916 CA ALA A 60 -3.996 -3.774 -7.354 1.00 0.00 C ATOM 917 C ALA A 60 -4.628 -4.799 -6.420 1.00 0.00 C ATOM 918 O ALA A 60 -5.645 -4.528 -5.781 1.00 0.00 O ATOM 919 CB ALA A 60 -3.009 -2.901 -6.593 1.00 0.00 C ATOM 0 H ALA A 60 -5.430 -2.245 -7.381 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.460 -4.315 -8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.255 -3.531 -6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.525 -2.211 -7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.539 -2.335 -5.827 1.00 0.00 H new ATOM 925 N VAL A 61 -4.021 -5.979 -6.345 1.00 0.00 N ATOM 926 CA VAL A 61 -4.524 -7.046 -5.488 1.00 0.00 C ATOM 927 C VAL A 61 -3.504 -7.420 -4.420 1.00 0.00 C ATOM 928 O VAL A 61 -2.339 -7.683 -4.722 1.00 0.00 O ATOM 929 CB VAL A 61 -4.879 -8.302 -6.306 1.00 0.00 C ATOM 930 CG1 VAL A 61 -3.965 -8.429 -7.515 1.00 0.00 C ATOM 931 CG2 VAL A 61 -4.799 -9.545 -5.433 1.00 0.00 C ATOM 0 H VAL A 61 -3.179 -6.220 -6.868 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.426 -6.667 -5.007 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.903 -8.203 -6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.231 -9.322 -8.080 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.078 -7.550 -8.150 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.930 -8.506 -7.182 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.053 -10.423 -6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.787 -9.651 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.500 -9.453 -4.603 1.00 0.00 H new ATOM 941 N PHE A 62 -3.948 -7.443 -3.167 1.00 0.00 N ATOM 942 CA PHE A 62 -3.073 -7.785 -2.052 1.00 0.00 C ATOM 943 C PHE A 62 -3.204 -9.262 -1.691 1.00 0.00 C ATOM 944 O PHE A 62 -4.309 -9.771 -1.503 1.00 0.00 O ATOM 945 CB PHE A 62 -3.403 -6.920 -0.834 1.00 0.00 C ATOM 946 CG PHE A 62 -3.943 -5.565 -1.190 1.00 0.00 C ATOM 947 CD1 PHE A 62 -3.096 -4.562 -1.634 1.00 0.00 C ATOM 948 CD2 PHE A 62 -5.297 -5.293 -1.079 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.590 -3.313 -1.963 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.796 -4.047 -1.407 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.942 -3.055 -1.848 1.00 0.00 C ATOM 0 H PHE A 62 -4.909 -7.229 -2.899 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.044 -7.594 -2.358 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.133 -7.442 -0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.503 -6.797 -0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.038 -4.758 -1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.970 -6.063 -0.732 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.920 -2.540 -2.309 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.854 -3.849 -1.319 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.331 -2.080 -2.102 1.00 0.00 H new ATOM 961 N ASP A 63 -2.068 -9.945 -1.597 1.00 0.00 N ATOM 962 CA ASP A 63 -2.054 -11.363 -1.259 1.00 0.00 C ATOM 963 C ASP A 63 -1.094 -11.637 -0.105 1.00 0.00 C ATOM 964 O ASP A 63 -0.183 -10.851 0.157 1.00 0.00 O ATOM 965 CB ASP A 63 -1.656 -12.196 -2.478 1.00 0.00 C ATOM 966 CG ASP A 63 -2.126 -13.634 -2.376 1.00 0.00 C ATOM 967 OD1 ASP A 63 -3.355 -13.855 -2.345 1.00 0.00 O ATOM 968 OD2 ASP A 63 -1.266 -14.538 -2.326 1.00 0.00 O ATOM 0 H ASP A 63 -1.145 -9.539 -1.750 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.059 -11.647 -0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.075 -11.743 -3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.572 -12.178 -2.588 1.00 0.00 H new ATOM 973 N CYS A 64 -1.306 -12.755 0.580 1.00 0.00 N ATOM 974 CA CYS A 64 -0.461 -13.132 1.708 1.00 0.00 C ATOM 975 C CYS A 64 0.522 -14.228 1.308 1.00 0.00 C ATOM 976 O CYS A 64 0.135 -15.378 1.100 1.00 0.00 O ATOM 977 CB CYS A 64 -1.320 -13.604 2.881 1.00 0.00 C ATOM 978 SG CYS A 64 -2.694 -14.679 2.404 1.00 0.00 S ATOM 0 H CYS A 64 -2.055 -13.416 0.375 1.00 0.00 H new ATOM 0 HA CYS A 64 0.107 -12.253 2.014 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.686 -14.136 3.591 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.718 -12.732 3.400 1.00 0.00 H new ATOM 0 HG CYS A 64 -3.360 -15.028 3.464 1.00 0.00 H new ATOM 984 N LYS A 65 1.795 -13.863 1.202 1.00 0.00 N ATOM 985 CA LYS A 65 2.835 -14.815 0.827 1.00 0.00 C ATOM 986 C LYS A 65 2.575 -16.180 1.454 1.00 0.00 C ATOM 987 O LYS A 65 1.881 -16.288 2.465 1.00 0.00 O ATOM 988 CB LYS A 65 4.209 -14.297 1.259 1.00 0.00 C ATOM 989 CG LYS A 65 5.298 -14.528 0.227 1.00 0.00 C ATOM 990 CD LYS A 65 6.011 -15.850 0.454 1.00 0.00 C ATOM 991 CE LYS A 65 7.188 -15.693 1.405 1.00 0.00 C ATOM 992 NZ LYS A 65 8.425 -15.274 0.690 1.00 0.00 N ATOM 0 H LYS A 65 2.132 -12.915 1.370 1.00 0.00 H new ATOM 0 HA LYS A 65 2.819 -14.924 -0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.137 -13.229 1.466 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.495 -14.784 2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.862 -14.516 -0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.020 -13.712 0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.309 -16.578 0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.363 -16.243 -0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.942 -14.955 2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.368 -16.637 1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.204 -15.178 1.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.674 -15.990 -0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.262 -14.361 0.220 1.00 0.00 H new ATOM 1006 N ALA A 66 3.136 -17.221 0.848 1.00 0.00 N ATOM 1007 CA ALA A 66 2.967 -18.580 1.349 1.00 0.00 C ATOM 1008 C ALA A 66 3.377 -18.679 2.815 1.00 0.00 C ATOM 1009 O ALA A 66 2.712 -19.341 3.612 1.00 0.00 O ATOM 1010 CB ALA A 66 3.773 -19.557 0.507 1.00 0.00 C ATOM 0 H ALA A 66 3.712 -17.150 0.009 1.00 0.00 H new ATOM 0 HA ALA A 66 1.911 -18.839 1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.637 -20.567 0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.431 -19.514 -0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.829 -19.290 0.551 1.00 0.00 H new ATOM 1016 N ASP A 67 4.475 -18.018 3.163 1.00 0.00 N ATOM 1017 CA ASP A 67 4.974 -18.031 4.533 1.00 0.00 C ATOM 1018 C ASP A 67 4.458 -16.824 5.311 1.00 0.00 C ATOM 1019 O ASP A 67 5.169 -16.258 6.141 1.00 0.00 O ATOM 1020 CB ASP A 67 6.503 -18.043 4.542 1.00 0.00 C ATOM 1021 CG ASP A 67 7.073 -19.409 4.214 1.00 0.00 C ATOM 1022 OD1 ASP A 67 6.782 -19.925 3.114 1.00 0.00 O ATOM 1023 OD2 ASP A 67 7.811 -19.962 5.056 1.00 0.00 O ATOM 0 H ASP A 67 5.037 -17.466 2.515 1.00 0.00 H new ATOM 0 HA ASP A 67 4.609 -18.936 5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.873 -17.315 3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.860 -17.729 5.523 1.00 0.00 H new ATOM 1028 N ALA A 68 3.217 -16.436 5.036 1.00 0.00 N ATOM 1029 CA ALA A 68 2.606 -15.298 5.711 1.00 0.00 C ATOM 1030 C ALA A 68 2.663 -15.461 7.226 1.00 0.00 C ATOM 1031 O ALA A 68 2.576 -14.484 7.968 1.00 0.00 O ATOM 1032 CB ALA A 68 1.166 -15.123 5.251 1.00 0.00 C ATOM 0 H ALA A 68 2.615 -16.893 4.351 1.00 0.00 H new ATOM 0 HA ALA A 68 3.172 -14.405 5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.722 -14.270 5.763 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.146 -14.951 4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.597 -16.023 5.485 1.00 0.00 H new ATOM 1038 N GLU A 69 2.811 -16.703 7.677 1.00 0.00 N ATOM 1039 CA GLU A 69 2.878 -16.993 9.105 1.00 0.00 C ATOM 1040 C GLU A 69 3.686 -15.926 9.839 1.00 0.00 C ATOM 1041 O GLU A 69 3.443 -15.649 11.013 1.00 0.00 O ATOM 1042 CB GLU A 69 3.501 -18.371 9.339 1.00 0.00 C ATOM 1043 CG GLU A 69 4.843 -18.557 8.651 1.00 0.00 C ATOM 1044 CD GLU A 69 5.366 -19.976 8.766 1.00 0.00 C ATOM 1045 OE1 GLU A 69 5.687 -20.401 9.895 1.00 0.00 O ATOM 1046 OE2 GLU A 69 5.453 -20.661 7.725 1.00 0.00 O ATOM 0 H GLU A 69 2.887 -17.523 7.075 1.00 0.00 H new ATOM 0 HA GLU A 69 1.862 -16.990 9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.627 -18.526 10.411 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.811 -19.137 8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.747 -18.294 7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.569 -17.870 9.086 1.00 0.00 H new ATOM 1053 N GLU A 70 4.647 -15.333 9.138 1.00 0.00 N ATOM 1054 CA GLU A 70 5.490 -14.298 9.724 1.00 0.00 C ATOM 1055 C GLU A 70 4.869 -12.917 9.534 1.00 0.00 C ATOM 1056 O GLU A 70 4.920 -12.073 10.428 1.00 0.00 O ATOM 1057 CB GLU A 70 6.886 -14.331 9.097 1.00 0.00 C ATOM 1058 CG GLU A 70 7.625 -13.006 9.185 1.00 0.00 C ATOM 1059 CD GLU A 70 9.074 -13.117 8.752 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.335 -13.747 7.707 1.00 0.00 O ATOM 1061 OE2 GLU A 70 9.947 -12.572 9.460 1.00 0.00 O ATOM 0 H GLU A 70 4.861 -15.551 8.165 1.00 0.00 H new ATOM 0 HA GLU A 70 5.574 -14.496 10.793 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.479 -15.101 9.591 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.798 -14.619 8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.119 -12.270 8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.583 -12.638 10.210 1.00 0.00 H new ATOM 1068 N GLY A 71 4.282 -12.694 8.362 1.00 0.00 N ATOM 1069 CA GLY A 71 3.660 -11.415 8.075 1.00 0.00 C ATOM 1070 C GLY A 71 4.154 -10.808 6.777 1.00 0.00 C ATOM 1071 O GLY A 71 4.603 -9.661 6.752 1.00 0.00 O ATOM 0 H GLY A 71 4.226 -13.377 7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.579 -11.544 8.024 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.861 -10.725 8.895 1.00 0.00 H new ATOM 1075 N ILE A 72 4.075 -11.578 5.697 1.00 0.00 N ATOM 1076 CA ILE A 72 4.519 -11.109 4.391 1.00 0.00 C ATOM 1077 C ILE A 72 3.383 -11.157 3.374 1.00 0.00 C ATOM 1078 O ILE A 72 2.599 -12.106 3.348 1.00 0.00 O ATOM 1079 CB ILE A 72 5.700 -11.945 3.864 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.697 -12.226 4.990 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.384 -11.227 2.710 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.273 -13.352 5.906 1.00 0.00 C ATOM 0 H ILE A 72 3.708 -12.529 5.701 1.00 0.00 H new ATOM 0 HA ILE A 72 4.844 -10.077 4.521 1.00 0.00 H new ATOM 0 HB ILE A 72 5.317 -12.897 3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.666 -12.469 4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.831 -11.319 5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.217 -11.830 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.669 -11.074 1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.757 -10.262 3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.027 -13.495 6.680 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.319 -13.103 6.371 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.167 -14.270 5.329 1.00 0.00 H new ATOM 1094 N PHE A 73 3.301 -10.128 2.537 1.00 0.00 N ATOM 1095 CA PHE A 73 2.262 -10.052 1.518 1.00 0.00 C ATOM 1096 C PHE A 73 2.838 -9.575 0.188 1.00 0.00 C ATOM 1097 O PHE A 73 3.997 -9.169 0.113 1.00 0.00 O ATOM 1098 CB PHE A 73 1.143 -9.111 1.968 1.00 0.00 C ATOM 1099 CG PHE A 73 1.629 -7.744 2.357 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.092 -7.497 3.639 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.624 -6.706 1.439 1.00 0.00 C ATOM 1102 CE1 PHE A 73 2.539 -6.240 3.999 1.00 0.00 C ATOM 1103 CE2 PHE A 73 2.070 -5.447 1.793 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.529 -5.214 3.074 1.00 0.00 C ATOM 0 H PHE A 73 3.942 -9.335 2.545 1.00 0.00 H new ATOM 0 HA PHE A 73 1.852 -11.052 1.379 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.415 -9.013 1.162 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.623 -9.557 2.815 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.104 -8.296 4.365 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.267 -6.883 0.435 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.896 -6.060 5.002 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.060 -4.646 1.068 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.880 -4.231 3.353 1.00 0.00 H new ATOM 1114 N GLU A 74 2.019 -9.628 -0.858 1.00 0.00 N ATOM 1115 CA GLU A 74 2.448 -9.203 -2.186 1.00 0.00 C ATOM 1116 C GLU A 74 1.325 -8.468 -2.911 1.00 0.00 C ATOM 1117 O GLU A 74 0.179 -8.920 -2.922 1.00 0.00 O ATOM 1118 CB GLU A 74 2.900 -10.410 -3.011 1.00 0.00 C ATOM 1119 CG GLU A 74 4.368 -10.757 -2.829 1.00 0.00 C ATOM 1120 CD GLU A 74 4.643 -12.238 -3.003 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.745 -13.048 -2.691 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.755 -12.587 -3.450 1.00 0.00 O ATOM 0 H GLU A 74 1.056 -9.961 -0.812 1.00 0.00 H new ATOM 0 HA GLU A 74 3.288 -8.519 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.295 -11.274 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.711 -10.210 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.963 -10.194 -3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.691 -10.446 -1.836 1.00 0.00 H new ATOM 1129 N ILE A 75 1.661 -7.333 -3.515 1.00 0.00 N ATOM 1130 CA ILE A 75 0.682 -6.536 -4.243 1.00 0.00 C ATOM 1131 C ILE A 75 0.820 -6.736 -5.748 1.00 0.00 C ATOM 1132 O ILE A 75 1.723 -6.185 -6.378 1.00 0.00 O ATOM 1133 CB ILE A 75 0.824 -5.037 -3.919 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.753 -4.810 -2.408 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.257 -4.237 -4.632 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.708 -3.349 -2.018 1.00 0.00 C ATOM 0 H ILE A 75 2.604 -6.945 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.303 -6.876 -3.923 1.00 0.00 H new ATOM 0 HB ILE A 75 1.796 -4.694 -4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.132 -5.310 -2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.618 -5.277 -1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.144 -3.179 -4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.164 -4.378 -5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.239 -4.580 -4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.658 -3.264 -0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.605 -2.848 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.172 -2.882 -2.459 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.082 -7.526 -6.320 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.064 -7.797 -7.752 1.00 0.00 C ATOM 1150 C LYS A 76 -0.727 -6.664 -8.529 1.00 0.00 C ATOM 1151 O LYS A 76 -1.911 -6.380 -8.345 1.00 0.00 O ATOM 1152 CB LYS A 76 -0.776 -9.119 -8.051 1.00 0.00 C ATOM 1153 CG LYS A 76 0.153 -10.320 -8.070 1.00 0.00 C ATOM 1154 CD LYS A 76 0.552 -10.738 -6.664 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.410 -11.771 -6.097 1.00 0.00 C ATOM 1156 NZ LYS A 76 -0.476 -12.992 -6.946 1.00 0.00 N ATOM 0 H LYS A 76 -0.835 -7.990 -5.813 1.00 0.00 H new ATOM 0 HA LYS A 76 0.976 -7.871 -8.069 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.551 -9.282 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.276 -9.042 -9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.338 -11.153 -8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.046 -10.081 -8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.562 -11.148 -6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.572 -9.863 -6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.096 -12.045 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.405 -11.333 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.755 -13.806 -6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.176 -12.852 -7.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.457 -13.172 -7.368 1.00 0.00 H new ATOM 1170 N THR A 77 0.044 -6.019 -9.399 1.00 0.00 N ATOM 1171 CA THR A 77 -0.467 -4.917 -10.203 1.00 0.00 C ATOM 1172 C THR A 77 -0.135 -5.112 -11.678 1.00 0.00 C ATOM 1173 O THR A 77 0.841 -5.771 -12.038 1.00 0.00 O ATOM 1174 CB THR A 77 0.105 -3.565 -9.734 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.535 -3.627 -9.692 1.00 0.00 O ATOM 1176 CG2 THR A 77 -0.433 -3.198 -8.360 1.00 0.00 C ATOM 0 H THR A 77 1.026 -6.242 -9.564 1.00 0.00 H new ATOM 0 HA THR A 77 -1.549 -4.909 -10.075 1.00 0.00 H new ATOM 0 HB THR A 77 -0.204 -2.798 -10.444 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.816 -4.178 -8.932 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.015 -2.240 -8.050 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.520 -3.123 -8.403 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.150 -3.967 -7.641 1.00 0.00 H new ATOM 1184 N PRO A 78 -0.964 -4.526 -12.555 1.00 0.00 N ATOM 1185 CA PRO A 78 -0.777 -4.620 -14.006 1.00 0.00 C ATOM 1186 C PRO A 78 0.441 -3.838 -14.486 1.00 0.00 C ATOM 1187 O PRO A 78 0.712 -3.766 -15.684 1.00 0.00 O ATOM 1188 CB PRO A 78 -2.061 -4.008 -14.570 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.544 -3.089 -13.501 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.147 -3.725 -12.198 1.00 0.00 C ATOM 0 HA PRO A 78 -0.601 -5.646 -14.328 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.868 -3.469 -15.498 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.800 -4.777 -14.795 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.097 -2.100 -13.605 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.625 -2.958 -13.558 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.912 -2.977 -11.441 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.946 -4.347 -11.794 1.00 0.00 H new ATOM 1198 N SER A 79 1.173 -3.255 -13.542 1.00 0.00 N ATOM 1199 CA SER A 79 2.361 -2.475 -13.869 1.00 0.00 C ATOM 1200 C SER A 79 3.627 -3.199 -13.420 1.00 0.00 C ATOM 1201 O SER A 79 4.553 -3.399 -14.206 1.00 0.00 O ATOM 1202 CB SER A 79 2.289 -1.095 -13.212 1.00 0.00 C ATOM 1203 OG SER A 79 1.646 -0.160 -14.060 1.00 0.00 O ATOM 0 H SER A 79 0.964 -3.308 -12.545 1.00 0.00 H new ATOM 0 HA SER A 79 2.398 -2.352 -14.951 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.749 -1.166 -12.268 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.295 -0.747 -12.978 1.00 0.00 H new ATOM 0 HG SER A 79 1.611 0.713 -13.617 1.00 0.00 H new ATOM 1209 N ARG A 80 3.658 -3.589 -12.150 1.00 0.00 N ATOM 1210 CA ARG A 80 4.810 -4.290 -11.594 1.00 0.00 C ATOM 1211 C ARG A 80 4.462 -4.928 -10.253 1.00 0.00 C ATOM 1212 O ARG A 80 3.873 -4.288 -9.382 1.00 0.00 O ATOM 1213 CB ARG A 80 5.986 -3.327 -11.423 1.00 0.00 C ATOM 1214 CG ARG A 80 5.751 -2.260 -10.366 1.00 0.00 C ATOM 1215 CD ARG A 80 7.004 -1.434 -10.121 1.00 0.00 C ATOM 1216 NE ARG A 80 8.123 -2.257 -9.669 1.00 0.00 N ATOM 1217 CZ ARG A 80 9.297 -1.760 -9.295 1.00 0.00 C ATOM 1218 NH1 ARG A 80 9.503 -0.450 -9.318 1.00 0.00 N ATOM 1219 NH2 ARG A 80 10.266 -2.573 -8.897 1.00 0.00 N ATOM 0 H ARG A 80 2.899 -3.432 -11.487 1.00 0.00 H new ATOM 0 HA ARG A 80 5.094 -5.079 -12.290 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.876 -3.898 -11.159 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.189 -2.842 -12.378 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.939 -1.606 -10.682 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.437 -2.732 -9.435 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.282 -0.917 -11.039 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.793 -0.668 -9.375 1.00 0.00 H new ATOM 0 HE ARG A 80 7.996 -3.269 -9.639 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.759 0.178 -9.623 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.405 -0.070 -9.030 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.110 -3.581 -8.878 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.167 -2.190 -8.610 1.00 0.00 H new ATOM 1233 N VAL A 81 4.831 -6.196 -10.093 1.00 0.00 N ATOM 1234 CA VAL A 81 4.559 -6.921 -8.858 1.00 0.00 C ATOM 1235 C VAL A 81 5.508 -6.488 -7.746 1.00 0.00 C ATOM 1236 O VAL A 81 6.727 -6.501 -7.917 1.00 0.00 O ATOM 1237 CB VAL A 81 4.684 -8.443 -9.061 1.00 0.00 C ATOM 1238 CG1 VAL A 81 4.190 -9.188 -7.831 1.00 0.00 C ATOM 1239 CG2 VAL A 81 3.920 -8.878 -10.302 1.00 0.00 C ATOM 0 H VAL A 81 5.319 -6.741 -10.804 1.00 0.00 H new ATOM 0 HA VAL A 81 3.535 -6.683 -8.571 1.00 0.00 H new ATOM 0 HB VAL A 81 5.736 -8.689 -9.205 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.286 -10.262 -7.993 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.786 -8.897 -6.966 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.144 -8.940 -7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.019 -9.956 -10.431 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.867 -8.621 -10.190 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.326 -8.369 -11.176 1.00 0.00 H new ATOM 1249 N ILE A 82 4.941 -6.106 -6.607 1.00 0.00 N ATOM 1250 CA ILE A 82 5.737 -5.670 -5.466 1.00 0.00 C ATOM 1251 C ILE A 82 5.655 -6.676 -4.323 1.00 0.00 C ATOM 1252 O ILE A 82 4.684 -7.425 -4.207 1.00 0.00 O ATOM 1253 CB ILE A 82 5.281 -4.291 -4.955 1.00 0.00 C ATOM 1254 CG1 ILE A 82 5.337 -3.260 -6.084 1.00 0.00 C ATOM 1255 CG2 ILE A 82 6.144 -3.849 -3.783 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.735 -3.016 -6.610 1.00 0.00 C ATOM 0 H ILE A 82 3.933 -6.089 -6.449 1.00 0.00 H new ATOM 0 HA ILE A 82 6.769 -5.597 -5.810 1.00 0.00 H new ATOM 0 HB ILE A 82 4.249 -4.370 -4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.702 -3.596 -6.904 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.923 -2.318 -5.726 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.810 -2.872 -3.433 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.057 -4.574 -2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.184 -3.783 -4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.699 -2.274 -7.408 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.369 -2.650 -5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.145 -3.948 -6.999 1.00 0.00 H new ATOM 1268 N THR A 83 6.680 -6.687 -3.477 1.00 0.00 N ATOM 1269 CA THR A 83 6.725 -7.600 -2.341 1.00 0.00 C ATOM 1270 C THR A 83 7.119 -6.868 -1.063 1.00 0.00 C ATOM 1271 O THR A 83 8.260 -6.429 -0.913 1.00 0.00 O ATOM 1272 CB THR A 83 7.717 -8.753 -2.586 1.00 0.00 C ATOM 1273 OG1 THR A 83 7.526 -9.293 -3.898 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.537 -9.851 -1.549 1.00 0.00 C ATOM 0 H THR A 83 7.491 -6.074 -3.557 1.00 0.00 H new ATOM 0 HA THR A 83 5.722 -8.012 -2.226 1.00 0.00 H new ATOM 0 HB THR A 83 8.729 -8.357 -2.501 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.161 -10.024 -4.047 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.248 -10.654 -1.742 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.712 -9.443 -0.553 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.522 -10.243 -1.607 1.00 0.00 H new ATOM 1282 N LEU A 84 6.169 -6.742 -0.143 1.00 0.00 N ATOM 1283 CA LEU A 84 6.417 -6.064 1.125 1.00 0.00 C ATOM 1284 C LEU A 84 6.000 -6.940 2.301 1.00 0.00 C ATOM 1285 O LEU A 84 5.212 -7.873 2.147 1.00 0.00 O ATOM 1286 CB LEU A 84 5.661 -4.734 1.171 1.00 0.00 C ATOM 1287 CG LEU A 84 5.619 -3.940 -0.135 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.710 -2.729 0.005 1.00 0.00 C ATOM 1289 CD2 LEU A 84 7.021 -3.512 -0.544 1.00 0.00 C ATOM 0 H LEU A 84 5.220 -7.100 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 84 7.487 -5.870 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.636 -4.932 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.115 -4.108 1.939 1.00 0.00 H new ATOM 0 HG LEU A 84 5.214 -4.584 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.693 -2.176 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.700 -3.058 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.084 -2.083 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.972 -2.948 -1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.453 -2.886 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.644 -4.395 -0.687 1.00 0.00 H new ATOM 1301 N LYS A 85 6.533 -6.632 3.479 1.00 0.00 N ATOM 1302 CA LYS A 85 6.214 -7.388 4.685 1.00 0.00 C ATOM 1303 C LYS A 85 5.925 -6.452 5.854 1.00 0.00 C ATOM 1304 O LYS A 85 6.576 -5.420 6.010 1.00 0.00 O ATOM 1305 CB LYS A 85 7.369 -8.326 5.043 1.00 0.00 C ATOM 1306 CG LYS A 85 8.527 -7.629 5.735 1.00 0.00 C ATOM 1307 CD LYS A 85 9.797 -8.461 5.674 1.00 0.00 C ATOM 1308 CE LYS A 85 9.901 -9.406 6.862 1.00 0.00 C ATOM 1309 NZ LYS A 85 9.059 -10.620 6.681 1.00 0.00 N ATOM 0 H LYS A 85 7.188 -5.864 3.624 1.00 0.00 H new ATOM 0 HA LYS A 85 5.320 -7.980 4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.994 -9.119 5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.734 -8.803 4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.703 -6.661 5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.267 -7.436 6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.813 -9.036 4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.665 -7.802 5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.941 -9.703 7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.595 -8.884 7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.285 -10.612 7.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.662 -10.627 5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.641 -11.470 6.821 1.00 0.00 H new ATOM 1323 N ALA A 86 4.945 -6.821 6.672 1.00 0.00 N ATOM 1324 CA ALA A 86 4.572 -6.016 7.829 1.00 0.00 C ATOM 1325 C ALA A 86 5.345 -6.448 9.070 1.00 0.00 C ATOM 1326 O ALA A 86 6.103 -7.416 9.035 1.00 0.00 O ATOM 1327 CB ALA A 86 3.074 -6.111 8.077 1.00 0.00 C ATOM 0 H ALA A 86 4.395 -7.672 6.555 1.00 0.00 H new ATOM 0 HA ALA A 86 4.828 -4.978 7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.810 -5.505 8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.536 -5.746 7.202 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.801 -7.150 8.264 1.00 0.00 H new ATOM 1333 N ALA A 87 5.147 -5.723 10.166 1.00 0.00 N ATOM 1334 CA ALA A 87 5.824 -6.032 11.419 1.00 0.00 C ATOM 1335 C ALA A 87 5.553 -7.470 11.850 1.00 0.00 C ATOM 1336 O ALA A 87 6.481 -8.250 12.066 1.00 0.00 O ATOM 1337 CB ALA A 87 5.390 -5.062 12.508 1.00 0.00 C ATOM 0 H ALA A 87 4.523 -4.917 10.211 1.00 0.00 H new ATOM 0 HA ALA A 87 6.897 -5.924 11.259 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.904 -5.305 13.438 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.642 -4.044 12.210 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.313 -5.141 12.657 1.00 0.00 H new ATOM 1343 N THR A 88 4.275 -7.814 11.973 1.00 0.00 N ATOM 1344 CA THR A 88 3.882 -9.158 12.380 1.00 0.00 C ATOM 1345 C THR A 88 2.860 -9.747 11.414 1.00 0.00 C ATOM 1346 O THR A 88 2.482 -9.112 10.429 1.00 0.00 O ATOM 1347 CB THR A 88 3.289 -9.163 13.802 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.133 -8.321 13.854 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.316 -8.687 14.818 1.00 0.00 C ATOM 0 H THR A 88 3.495 -7.181 11.797 1.00 0.00 H new ATOM 0 HA THR A 88 4.784 -9.769 12.368 1.00 0.00 H new ATOM 0 HB THR A 88 3.004 -10.186 14.049 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.761 -8.331 14.761 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.875 -8.699 15.815 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.182 -9.348 14.797 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.628 -7.672 14.572 1.00 0.00 H new ATOM 1357 N LYS A 89 2.416 -10.966 11.701 1.00 0.00 N ATOM 1358 CA LYS A 89 1.436 -11.642 10.859 1.00 0.00 C ATOM 1359 C LYS A 89 0.110 -10.890 10.857 1.00 0.00 C ATOM 1360 O LYS A 89 -0.510 -10.711 9.809 1.00 0.00 O ATOM 1361 CB LYS A 89 1.220 -13.077 11.345 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.050 -13.716 10.809 1.00 0.00 C ATOM 1363 CD LYS A 89 0.088 -14.085 9.341 1.00 0.00 C ATOM 1364 CE LYS A 89 -1.230 -14.576 8.764 1.00 0.00 C ATOM 1365 NZ LYS A 89 -1.713 -15.806 9.450 1.00 0.00 N ATOM 0 H LYS A 89 2.720 -11.506 12.511 1.00 0.00 H new ATOM 0 HA LYS A 89 1.822 -11.664 9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.075 -13.685 11.049 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.187 -13.082 12.434 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.282 -14.609 11.389 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.886 -13.028 10.935 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.433 -13.218 8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.847 -14.860 9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.981 -13.791 8.855 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.108 -14.778 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.548 -16.176 8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.961 -16.524 9.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.968 -15.578 10.432 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.319 -10.451 12.036 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.572 -9.717 12.168 1.00 0.00 C ATOM 1381 C GLN A 90 -1.424 -8.290 11.653 1.00 0.00 C ATOM 1382 O GLN A 90 -2.414 -7.593 11.431 1.00 0.00 O ATOM 1383 CB GLN A 90 -2.026 -9.700 13.629 1.00 0.00 C ATOM 1384 CG GLN A 90 -2.753 -10.965 14.055 1.00 0.00 C ATOM 1385 CD GLN A 90 -1.818 -12.011 14.628 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -1.481 -12.991 13.963 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -1.393 -11.808 15.870 1.00 0.00 N ATOM 0 H GLN A 90 0.182 -10.591 12.913 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.326 -10.224 11.566 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.156 -9.558 14.270 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.681 -8.844 13.787 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.509 -10.712 14.799 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.278 -11.384 13.197 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.698 -10.982 16.385 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.762 -12.478 16.309 1.00 0.00 H new ATOM 1396 N ALA A 91 -0.180 -7.860 11.464 1.00 0.00 N ATOM 1397 CA ALA A 91 0.097 -6.516 10.973 1.00 0.00 C ATOM 1398 C ALA A 91 -0.403 -6.340 9.543 1.00 0.00 C ATOM 1399 O ALA A 91 -1.270 -5.509 9.277 1.00 0.00 O ATOM 1400 CB ALA A 91 1.588 -6.222 11.053 1.00 0.00 C ATOM 0 H ALA A 91 0.651 -8.423 11.644 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.437 -5.807 11.606 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.781 -5.215 10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.919 -6.298 12.089 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.134 -6.943 10.444 1.00 0.00 H new ATOM 1406 N MET A 92 0.151 -7.126 8.626 1.00 0.00 N ATOM 1407 CA MET A 92 -0.240 -7.057 7.223 1.00 0.00 C ATOM 1408 C MET A 92 -1.752 -6.906 7.087 1.00 0.00 C ATOM 1409 O MET A 92 -2.236 -6.106 6.286 1.00 0.00 O ATOM 1410 CB MET A 92 0.229 -8.308 6.478 1.00 0.00 C ATOM 1411 CG MET A 92 0.160 -9.575 7.314 1.00 0.00 C ATOM 1412 SD MET A 92 0.577 -11.054 6.371 1.00 0.00 S ATOM 1413 CE MET A 92 -0.901 -12.036 6.610 1.00 0.00 C ATOM 0 H MET A 92 0.872 -7.818 8.829 1.00 0.00 H new ATOM 0 HA MET A 92 0.236 -6.181 6.782 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.381 -8.439 5.584 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.256 -8.158 6.144 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.841 -9.485 8.160 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.845 -9.681 7.723 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.713 -13.061 6.289 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.175 -12.031 7.665 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.716 -11.615 6.022 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.492 -7.680 7.873 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.949 -7.634 7.840 1.00 0.00 C ATOM 1425 C LEU A 93 -4.447 -6.193 7.783 1.00 0.00 C ATOM 1426 O LEU A 93 -5.224 -5.828 6.901 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.530 -8.338 9.067 1.00 0.00 C ATOM 1428 CG LEU A 93 -4.641 -9.860 8.978 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -5.800 -10.259 8.078 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -3.339 -10.461 8.470 1.00 0.00 C ATOM 0 H LEU A 93 -2.107 -8.347 8.541 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.284 -8.151 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.913 -8.089 9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.523 -7.932 9.258 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.833 -10.250 9.978 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.863 -11.346 8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.730 -9.860 8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.639 -9.857 7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.436 -11.545 8.413 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.117 -10.064 7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.529 -10.205 9.153 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.991 -5.378 8.728 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.390 -3.976 8.786 1.00 0.00 C ATOM 1444 C TYR A 94 -4.117 -3.277 7.458 1.00 0.00 C ATOM 1445 O TYR A 94 -4.909 -2.451 7.004 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.648 -3.259 9.915 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.649 -1.753 9.780 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -4.837 -1.034 9.811 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.461 -1.050 9.621 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -4.843 0.342 9.687 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.457 0.326 9.498 1.00 0.00 C ATOM 1452 CZ TYR A 94 -3.651 1.017 9.531 1.00 0.00 C ATOM 1453 OH TYR A 94 -3.652 2.388 9.409 1.00 0.00 O ATOM 0 H TYR A 94 -3.345 -5.664 9.464 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.461 -3.937 8.983 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.104 -3.530 10.867 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.617 -3.612 9.943 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.772 -1.560 9.934 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.525 -1.588 9.593 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.776 0.886 9.712 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.525 0.858 9.377 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.731 2.708 9.308 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.991 -3.614 6.840 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.612 -3.020 5.563 1.00 0.00 C ATOM 1465 C TRP A 95 -3.533 -3.498 4.446 1.00 0.00 C ATOM 1466 O TRP A 95 -4.115 -2.691 3.719 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.161 -3.365 5.227 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.175 -2.370 5.761 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.481 -2.427 6.957 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.265 -1.169 5.117 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.302 -1.334 7.096 1.00 0.00 N ATOM 1472 CE2 TRP A 95 1.188 -0.547 5.980 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.030 -0.559 3.894 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.816 0.653 5.659 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.594 0.632 3.577 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.508 1.228 4.456 1.00 0.00 C ATOM 0 H TRP A 95 -2.324 -4.296 7.202 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.709 -1.938 5.651 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.927 -4.350 5.630 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.052 -3.429 4.144 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.371 -3.215 7.687 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.899 -1.140 7.900 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.733 -1.011 3.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.521 1.114 6.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.373 1.112 2.635 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.979 2.160 4.179 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.662 -4.813 4.313 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.514 -5.399 3.284 1.00 0.00 C ATOM 1489 C LEU A 96 -5.942 -4.876 3.396 1.00 0.00 C ATOM 1490 O LEU A 96 -6.527 -4.425 2.412 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.506 -6.924 3.394 1.00 0.00 C ATOM 1492 CG LEU A 96 -3.132 -7.580 3.533 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -3.267 -9.094 3.601 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -2.228 -7.175 2.378 1.00 0.00 C ATOM 0 H LEU A 96 -3.187 -5.494 4.905 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.117 -5.110 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.111 -7.209 4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.995 -7.335 2.510 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.678 -7.234 4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.279 -9.543 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.877 -9.367 4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.742 -9.458 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.254 -7.651 2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.677 -7.491 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.104 -6.092 2.375 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.496 -4.939 4.603 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.856 -4.470 4.844 1.00 0.00 C ATOM 1508 C GLN A 97 -7.992 -2.992 4.495 1.00 0.00 C ATOM 1509 O GLN A 97 -8.816 -2.615 3.663 1.00 0.00 O ATOM 1510 CB GLN A 97 -8.245 -4.700 6.305 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.645 -4.214 6.645 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.706 -5.265 6.388 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.400 -6.447 6.224 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.964 -4.841 6.351 1.00 0.00 N ATOM 0 H GLN A 97 -6.025 -5.310 5.428 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.529 -5.039 4.202 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.175 -5.765 6.528 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.527 -4.192 6.948 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.678 -3.919 7.694 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.870 -3.325 6.056 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.173 -3.853 6.492 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.721 -5.504 6.182 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.179 -2.160 5.138 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.210 -0.722 4.896 1.00 0.00 C ATOM 1525 C GLN A 98 -7.025 -0.416 3.414 1.00 0.00 C ATOM 1526 O GLN A 98 -7.907 0.156 2.772 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.124 -0.022 5.714 1.00 0.00 C ATOM 1528 CG GLN A 98 -6.527 0.253 7.153 1.00 0.00 C ATOM 1529 CD GLN A 98 -7.942 0.786 7.271 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -8.161 1.997 7.294 1.00 0.00 O ATOM 1531 NE2 GLN A 98 -8.911 -0.118 7.345 1.00 0.00 N ATOM 0 H GLN A 98 -6.491 -2.457 5.830 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.185 -0.347 5.206 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.224 -0.637 5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.868 0.921 5.231 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.439 -0.666 7.733 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.834 0.973 7.589 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -8.684 -1.112 7.322 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.883 0.181 7.425 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.873 -0.799 2.875 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.571 -0.565 1.467 1.00 0.00 C ATOM 1542 C LEU A 99 -6.801 -0.812 0.598 1.00 0.00 C ATOM 1543 O LEU A 99 -7.065 -0.066 -0.345 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.423 -1.469 1.014 1.00 0.00 C ATOM 1545 CG LEU A 99 -3.032 -1.096 1.528 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -2.051 -2.232 1.285 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.544 0.184 0.864 1.00 0.00 C ATOM 0 H LEU A 99 -5.132 -1.273 3.392 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.271 0.477 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.644 -2.489 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.397 -1.471 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.097 -0.923 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.067 -1.948 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.393 -3.126 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.990 -2.437 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.553 0.435 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.495 0.038 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.234 0.997 1.090 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.549 -1.860 0.925 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.752 -2.203 0.175 1.00 0.00 C ATOM 1561 C GLN A 100 -9.804 -1.106 0.303 1.00 0.00 C ATOM 1562 O GLN A 100 -10.357 -0.644 -0.694 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.323 -3.534 0.666 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.771 -4.743 -0.072 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.604 -5.990 0.145 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -10.090 -6.599 -0.809 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -9.773 -6.378 1.403 1.00 0.00 N ATOM 0 H GLN A 100 -7.344 -2.486 1.704 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.480 -2.299 -0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.111 -3.640 1.730 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.407 -3.517 0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.725 -4.523 -1.139 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.750 -4.931 0.259 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.352 -5.843 2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.324 -7.211 1.610 1.00 0.00 H new ATOM 1576 N MET A 101 -10.077 -0.696 1.537 1.00 0.00 N ATOM 1577 CA MET A 101 -11.063 0.347 1.795 1.00 0.00 C ATOM 1578 C MET A 101 -10.962 1.460 0.756 1.00 0.00 C ATOM 1579 O MET A 101 -11.975 1.982 0.290 1.00 0.00 O ATOM 1580 CB MET A 101 -10.870 0.925 3.199 1.00 0.00 C ATOM 1581 CG MET A 101 -11.168 -0.068 4.311 1.00 0.00 C ATOM 1582 SD MET A 101 -12.889 -0.604 4.320 1.00 0.00 S ATOM 1583 CE MET A 101 -12.726 -2.277 3.702 1.00 0.00 C ATOM 0 H MET A 101 -9.630 -1.070 2.374 1.00 0.00 H new ATOM 0 HA MET A 101 -12.055 -0.100 1.727 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.843 1.275 3.301 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.516 1.795 3.317 1.00 0.00 H new ATOM 0 HG2 MET A 101 -10.521 -0.938 4.199 1.00 0.00 H new ATOM 0 HG3 MET A 101 -10.928 0.386 5.272 1.00 0.00 H new ATOM 0 HE1 MET A 101 -13.710 -2.743 3.650 1.00 0.00 H new ATOM 0 HE2 MET A 101 -12.282 -2.256 2.707 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.087 -2.852 4.372 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.734 1.818 0.398 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.500 2.868 -0.587 1.00 0.00 C ATOM 1595 C LYS A 102 -10.049 2.466 -1.952 1.00 0.00 C ATOM 1596 O LYS A 102 -10.892 3.160 -2.521 1.00 0.00 O ATOM 1597 CB LYS A 102 -8.003 3.169 -0.696 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.327 3.385 0.647 1.00 0.00 C ATOM 1599 CD LYS A 102 -7.929 4.565 1.391 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.238 4.793 2.727 1.00 0.00 C ATOM 1601 NZ LYS A 102 -7.530 6.145 3.278 1.00 0.00 N ATOM 0 H LYS A 102 -8.885 1.397 0.775 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.022 3.766 -0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.512 2.344 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.863 4.058 -1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.424 2.484 1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.261 3.555 0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.846 5.463 0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.992 4.389 1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.562 4.033 3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.161 4.676 2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.041 6.262 4.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.198 6.871 2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.555 6.248 3.420 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.567 1.342 -2.471 1.00 0.00 N ATOM 1616 CA ARG A 103 -10.011 0.848 -3.769 1.00 0.00 C ATOM 1617 C ARG A 103 -11.494 0.492 -3.737 1.00 0.00 C ATOM 1618 O ARG A 103 -12.292 1.051 -4.490 1.00 0.00 O ATOM 1619 CB ARG A 103 -9.190 -0.376 -4.180 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.764 -1.121 -5.374 1.00 0.00 C ATOM 1621 CD ARG A 103 -9.126 -2.492 -5.535 1.00 0.00 C ATOM 1622 NE ARG A 103 -10.000 -3.423 -6.244 1.00 0.00 N ATOM 1623 CZ ARG A 103 -9.642 -4.657 -6.580 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -8.433 -5.106 -6.273 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -10.494 -5.444 -7.224 1.00 0.00 N ATOM 0 H ARG A 103 -8.869 0.756 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.861 1.641 -4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.174 -0.059 -4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.124 -1.060 -3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.841 -1.232 -5.251 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.605 -0.536 -6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.186 -2.393 -6.078 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.886 -2.898 -4.552 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.937 -3.108 -6.495 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.776 -4.503 -5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.160 -6.054 -6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.425 -5.101 -7.462 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -10.218 -6.392 -7.482 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.855 -0.440 -2.863 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.243 -0.870 -2.734 1.00 0.00 C ATOM 1641 C TRP A 104 -14.183 0.329 -2.689 1.00 0.00 C ATOM 1642 O TRP A 104 -15.242 0.322 -3.316 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.420 -1.720 -1.475 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.830 -1.743 -0.967 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.827 -2.591 -1.356 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.398 -0.878 0.022 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -16.982 -2.305 -0.668 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.745 -1.259 0.184 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -14.901 0.180 0.788 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.597 -0.618 1.079 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -15.748 0.815 1.675 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -17.084 0.415 1.816 1.00 0.00 C ATOM 0 H TRP A 104 -11.207 -0.913 -2.233 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.493 -1.471 -3.608 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -13.101 -2.741 -1.687 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.765 -1.337 -0.692 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.723 -3.371 -2.095 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.872 -2.793 -0.775 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.873 0.495 0.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.627 -0.925 1.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.374 1.635 2.271 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.720 0.932 2.519 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.789 1.357 -1.944 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.598 2.563 -1.818 1.00 0.00 C ATOM 1665 C GLU A 105 -14.940 3.135 -3.191 1.00 0.00 C ATOM 1666 O GLU A 105 -16.111 3.242 -3.557 1.00 0.00 O ATOM 1667 CB GLU A 105 -13.861 3.614 -0.985 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.148 3.521 0.504 1.00 0.00 C ATOM 1669 CD GLU A 105 -15.432 4.226 0.896 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -15.815 5.190 0.200 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -16.054 3.814 1.898 1.00 0.00 O ATOM 0 H GLU A 105 -12.915 1.379 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.526 2.295 -1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.788 3.507 -1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.140 4.607 -1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.211 2.472 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.316 3.955 1.058 1.00 0.00 H new ATOM 1678 N PHE A 106 -13.910 3.500 -3.947 1.00 0.00 N ATOM 1679 CA PHE A 106 -14.100 4.062 -5.279 1.00 0.00 C ATOM 1680 C PHE A 106 -15.154 3.278 -6.055 1.00 0.00 C ATOM 1681 O PHE A 106 -16.057 3.858 -6.658 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.779 4.062 -6.049 1.00 0.00 C ATOM 1683 CG PHE A 106 -12.951 4.197 -7.535 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -13.489 5.351 -8.082 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.575 3.169 -8.385 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -13.648 5.478 -9.449 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.731 3.291 -9.753 1.00 0.00 C ATOM 1688 CZ PHE A 106 -13.270 4.446 -10.285 1.00 0.00 C ATOM 0 H PHE A 106 -12.935 3.417 -3.660 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.447 5.089 -5.166 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -12.157 4.881 -5.687 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -12.243 3.137 -5.836 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -13.788 6.161 -7.432 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -12.155 2.263 -7.974 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -14.067 6.383 -9.863 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -12.432 2.484 -10.405 1.00 0.00 H new ATOM 0 HZ PHE A 106 -13.396 4.542 -11.353 1.00 0.00 H new ATOM 1698 N HIS A 107 -15.032 1.954 -6.034 1.00 0.00 N ATOM 1699 CA HIS A 107 -15.974 1.089 -6.736 1.00 0.00 C ATOM 1700 C HIS A 107 -17.390 1.281 -6.202 1.00 0.00 C ATOM 1701 O HIS A 107 -18.354 1.303 -6.966 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.557 -0.376 -6.593 1.00 0.00 C ATOM 1703 CG HIS A 107 -14.271 -0.703 -7.286 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -14.118 -0.643 -8.655 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -13.073 -1.093 -6.792 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.882 -0.984 -8.973 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -12.227 -1.261 -7.860 1.00 0.00 N ATOM 0 H HIS A 107 -14.291 1.457 -5.539 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.963 1.362 -7.791 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.461 -0.616 -5.534 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -16.347 -1.011 -6.993 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.828 -1.244 -5.751 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.476 -1.029 -9.973 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -11.251 -1.552 -7.803 1.00 0.00 H new