USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=27 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+ 138:sc= -1.93 (180deg=-1.66) USER MOD Set 1.2: A 92 MET CE :methyl -145:sc= -4.4! (180deg=-5.65!) USER MOD Set 2.1: A 15 SER OG : rot -160:sc= 0 USER MOD Set 2.2: A 85 LYS NZ :NH3+ -149:sc=-0.00198 (180deg=-1.37) USER MOD Set 3.1: A 39 GLN :FLIP amide:sc= 0.951 F(o=-1.4,f=2.1) USER MOD Set 3.2: A 54 SER OG : rot 119:sc= 1.13 USER MOD Set 4.1: A 16 LYS NZ :NH3+ 180:sc= 0.132 (180deg=0) USER MOD Set 4.2: A 42 TYR OH : rot 30:sc= 0.0228 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.0205 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 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 165:sc= -0.84 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= -0.874 USER MOD Single : A 43 SER OG : rot 115:sc= 0.318 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 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 21:sc= 0.247 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 144:sc= -0.109 (180deg=-1.81) USER MOD Single : A 77 THR OG1 : rot -72:sc= -0.164 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc=-0.00157 K(o=-0.0016,f=-1.4) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.697 F(o=-1.5!,f=-0.7) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl -161:sc= -0.0434 (180deg=-0.388) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HE2:sc=-0.00524 X(o=-0.0052,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 110 N LEU A 10 -3.652 6.436 6.237 1.00 0.00 N ATOM 111 CA LEU A 10 -3.059 5.104 6.190 1.00 0.00 C ATOM 112 C LEU A 10 -1.585 5.177 5.805 1.00 0.00 C ATOM 113 O LEU A 10 -1.247 5.377 4.638 1.00 0.00 O ATOM 114 CB LEU A 10 -3.815 4.223 5.194 1.00 0.00 C ATOM 115 CG LEU A 10 -3.230 2.831 4.951 1.00 0.00 C ATOM 116 CD1 LEU A 10 -3.493 1.925 6.143 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.807 2.225 3.680 1.00 0.00 C ATOM 0 HA LEU A 10 -3.134 4.665 7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.840 4.108 5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.863 4.747 4.239 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.151 2.928 4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.069 0.939 5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.031 2.352 7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.568 1.834 6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.380 1.235 3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.890 2.142 3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.565 2.864 2.830 1.00 0.00 H new ATOM 129 N CYS A 11 -0.712 5.013 6.793 1.00 0.00 N ATOM 130 CA CYS A 11 0.727 5.058 6.557 1.00 0.00 C ATOM 131 C CYS A 11 1.449 4.013 7.400 1.00 0.00 C ATOM 132 O CYS A 11 0.890 3.477 8.357 1.00 0.00 O ATOM 133 CB CYS A 11 1.272 6.452 6.874 1.00 0.00 C ATOM 134 SG CYS A 11 1.008 6.977 8.584 1.00 0.00 S ATOM 0 H CYS A 11 -0.975 4.848 7.765 1.00 0.00 H new ATOM 0 HA CYS A 11 0.906 4.836 5.505 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.341 6.470 6.661 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.802 7.174 6.207 1.00 0.00 H new ATOM 0 HG CYS A 11 1.505 8.166 8.755 1.00 0.00 H new ATOM 140 N GLY A 12 2.695 3.725 7.037 1.00 0.00 N ATOM 141 CA GLY A 12 3.473 2.743 7.769 1.00 0.00 C ATOM 142 C GLY A 12 4.723 2.320 7.023 1.00 0.00 C ATOM 143 O GLY A 12 4.800 2.452 5.801 1.00 0.00 O ATOM 0 H GLY A 12 3.180 4.154 6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.754 3.156 8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.855 1.866 7.963 1.00 0.00 H new ATOM 147 N TYR A 13 5.706 1.813 7.758 1.00 0.00 N ATOM 148 CA TYR A 13 6.961 1.373 7.159 1.00 0.00 C ATOM 149 C TYR A 13 6.859 -0.072 6.680 1.00 0.00 C ATOM 150 O TYR A 13 6.142 -0.884 7.266 1.00 0.00 O ATOM 151 CB TYR A 13 8.106 1.510 8.164 1.00 0.00 C ATOM 152 CG TYR A 13 8.666 2.911 8.256 1.00 0.00 C ATOM 153 CD1 TYR A 13 8.135 3.835 9.149 1.00 0.00 C ATOM 154 CD2 TYR A 13 9.724 3.313 7.451 1.00 0.00 C ATOM 155 CE1 TYR A 13 8.643 5.116 9.237 1.00 0.00 C ATOM 156 CE2 TYR A 13 10.240 4.592 7.534 1.00 0.00 C ATOM 157 CZ TYR A 13 9.695 5.490 8.427 1.00 0.00 C ATOM 158 OH TYR A 13 10.205 6.766 8.511 1.00 0.00 O ATOM 0 H TYR A 13 5.658 1.696 8.770 1.00 0.00 H new ATOM 0 HA TYR A 13 7.165 2.008 6.297 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.753 1.204 9.149 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.907 0.825 7.885 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.311 3.546 9.785 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.151 2.613 6.748 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.219 5.821 9.936 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.065 4.887 6.903 1.00 0.00 H new ATOM 0 HH TYR A 13 10.943 6.866 7.874 1.00 0.00 H new ATOM 168 N LEU A 14 7.583 -0.386 5.611 1.00 0.00 N ATOM 169 CA LEU A 14 7.576 -1.734 5.052 1.00 0.00 C ATOM 170 C LEU A 14 8.933 -2.078 4.446 1.00 0.00 C ATOM 171 O LEU A 14 9.834 -1.241 4.399 1.00 0.00 O ATOM 172 CB LEU A 14 6.483 -1.861 3.990 1.00 0.00 C ATOM 173 CG LEU A 14 5.048 -1.644 4.473 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.078 -1.689 3.303 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.675 -2.685 5.519 1.00 0.00 C ATOM 0 H LEU A 14 8.182 0.274 5.114 1.00 0.00 H new ATOM 0 HA LEU A 14 7.371 -2.436 5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.690 -1.143 3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.549 -2.854 3.546 1.00 0.00 H new ATOM 0 HG LEU A 14 4.984 -0.657 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.062 -1.533 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.333 -0.906 2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.143 -2.661 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.651 -2.516 5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.756 -3.682 5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.351 -2.604 6.370 1.00 0.00 H new ATOM 187 N SER A 15 9.070 -3.316 3.981 1.00 0.00 N ATOM 188 CA SER A 15 10.317 -3.772 3.378 1.00 0.00 C ATOM 189 C SER A 15 10.069 -4.353 1.990 1.00 0.00 C ATOM 190 O SER A 15 9.298 -5.298 1.828 1.00 0.00 O ATOM 191 CB SER A 15 10.986 -4.820 4.270 1.00 0.00 C ATOM 192 OG SER A 15 11.865 -4.212 5.201 1.00 0.00 O ATOM 0 H SER A 15 8.333 -4.021 4.010 1.00 0.00 H new ATOM 0 HA SER A 15 10.980 -2.912 3.280 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.224 -5.389 4.803 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.539 -5.528 3.653 1.00 0.00 H new ATOM 0 HG SER A 15 12.503 -4.878 5.532 1.00 0.00 H new ATOM 198 N LYS A 16 10.730 -3.780 0.989 1.00 0.00 N ATOM 199 CA LYS A 16 10.584 -4.239 -0.387 1.00 0.00 C ATOM 200 C LYS A 16 11.627 -5.301 -0.720 1.00 0.00 C ATOM 201 O LYS A 16 12.818 -5.117 -0.464 1.00 0.00 O ATOM 202 CB LYS A 16 10.712 -3.062 -1.356 1.00 0.00 C ATOM 203 CG LYS A 16 10.123 -3.337 -2.729 1.00 0.00 C ATOM 204 CD LYS A 16 10.061 -2.075 -3.572 1.00 0.00 C ATOM 205 CE LYS A 16 9.291 -2.305 -4.864 1.00 0.00 C ATOM 206 NZ LYS A 16 9.782 -1.431 -5.965 1.00 0.00 N ATOM 0 H LYS A 16 11.372 -2.996 1.106 1.00 0.00 H new ATOM 0 HA LYS A 16 9.594 -4.682 -0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.216 -2.192 -0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.766 -2.806 -1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.725 -4.088 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.121 -3.752 -2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.586 -1.278 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.072 -1.741 -3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.383 -3.350 -5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.231 -2.115 -4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.232 -1.618 -6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.670 -0.434 -5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.787 -1.630 -6.145 1.00 0.00 H new ATOM 220 N PHE A 17 11.174 -6.411 -1.293 1.00 0.00 N ATOM 221 CA PHE A 17 12.069 -7.501 -1.661 1.00 0.00 C ATOM 222 C PHE A 17 12.474 -7.401 -3.129 1.00 0.00 C ATOM 223 O PHE A 17 11.681 -7.691 -4.024 1.00 0.00 O ATOM 224 CB PHE A 17 11.399 -8.851 -1.396 1.00 0.00 C ATOM 225 CG PHE A 17 12.280 -10.028 -1.704 1.00 0.00 C ATOM 226 CD1 PHE A 17 13.467 -10.220 -1.017 1.00 0.00 C ATOM 227 CD2 PHE A 17 11.920 -10.943 -2.680 1.00 0.00 C ATOM 228 CE1 PHE A 17 14.280 -11.302 -1.299 1.00 0.00 C ATOM 229 CE2 PHE A 17 12.728 -12.028 -2.966 1.00 0.00 C ATOM 230 CZ PHE A 17 13.909 -12.208 -2.274 1.00 0.00 C ATOM 0 H PHE A 17 10.192 -6.579 -1.512 1.00 0.00 H new ATOM 0 HA PHE A 17 12.967 -7.422 -1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 17 11.096 -8.898 -0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.491 -8.921 -1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.761 -9.516 -0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 17 10.997 -10.807 -3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 17 15.204 -11.439 -0.758 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.436 -12.734 -3.730 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.542 -13.055 -2.494 1.00 0.00 H new ATOM 347 N TRP A 26 15.395 -7.669 1.236 1.00 0.00 N ATOM 348 CA TRP A 26 14.457 -6.749 1.869 1.00 0.00 C ATOM 349 C TRP A 26 15.136 -5.425 2.205 1.00 0.00 C ATOM 350 O TRP A 26 16.268 -5.402 2.688 1.00 0.00 O ATOM 351 CB TRP A 26 13.874 -7.374 3.137 1.00 0.00 C ATOM 352 CG TRP A 26 13.083 -8.620 2.876 1.00 0.00 C ATOM 353 CD1 TRP A 26 13.504 -9.908 3.044 1.00 0.00 C ATOM 354 CD2 TRP A 26 11.735 -8.695 2.398 1.00 0.00 C ATOM 355 NE1 TRP A 26 12.499 -10.780 2.699 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.403 -10.060 2.300 1.00 0.00 C ATOM 357 CE3 TRP A 26 10.777 -7.742 2.045 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.154 -10.493 1.863 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.537 -8.173 1.611 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.235 -9.538 1.524 1.00 0.00 C ATOM 0 HA TRP A 26 13.648 -6.553 1.165 1.00 0.00 H new ATOM 0 HB2 TRP A 26 14.686 -7.606 3.826 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.235 -6.643 3.633 1.00 0.00 H new ATOM 0 HD1 TRP A 26 14.483 -10.199 3.396 1.00 0.00 H new ATOM 0 HE1 TRP A 26 12.559 -11.798 2.734 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.001 -6.687 2.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.919 -11.545 1.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.789 -7.445 1.334 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.257 -9.843 1.182 1.00 0.00 H new ATOM 371 N LYS A 27 14.437 -4.325 1.947 1.00 0.00 N ATOM 372 CA LYS A 27 14.972 -2.997 2.224 1.00 0.00 C ATOM 373 C LYS A 27 13.942 -2.136 2.949 1.00 0.00 C ATOM 374 O LYS A 27 12.815 -1.974 2.481 1.00 0.00 O ATOM 375 CB LYS A 27 15.398 -2.314 0.922 1.00 0.00 C ATOM 376 CG LYS A 27 14.231 -1.830 0.079 1.00 0.00 C ATOM 377 CD LYS A 27 14.665 -1.505 -1.340 1.00 0.00 C ATOM 378 CE LYS A 27 13.712 -0.523 -2.004 1.00 0.00 C ATOM 379 NZ LYS A 27 13.895 -0.484 -3.481 1.00 0.00 N ATOM 0 H LYS A 27 13.499 -4.327 1.547 1.00 0.00 H new ATOM 0 HA LYS A 27 15.843 -3.111 2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.040 -1.466 1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.995 -3.011 0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.455 -2.595 0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.792 -0.944 0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.671 -1.085 -1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.711 -2.422 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.684 -0.802 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.872 0.473 -1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.227 0.197 -3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.869 -0.193 -3.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.717 -1.429 -3.878 1.00 0.00 H new ATOM 393 N SER A 28 14.337 -1.585 4.092 1.00 0.00 N ATOM 394 CA SER A 28 13.447 -0.742 4.881 1.00 0.00 C ATOM 395 C SER A 28 13.073 0.523 4.114 1.00 0.00 C ATOM 396 O SER A 28 13.938 1.323 3.756 1.00 0.00 O ATOM 397 CB SER A 28 14.108 -0.369 6.210 1.00 0.00 C ATOM 398 OG SER A 28 14.536 -1.526 6.909 1.00 0.00 O ATOM 0 H SER A 28 15.267 -1.707 4.492 1.00 0.00 H new ATOM 0 HA SER A 28 12.536 -1.307 5.081 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.961 0.284 6.025 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.404 0.192 6.825 1.00 0.00 H new ATOM 0 HG SER A 28 14.956 -1.261 7.754 1.00 0.00 H new ATOM 404 N ARG A 29 11.779 0.696 3.866 1.00 0.00 N ATOM 405 CA ARG A 29 11.290 1.862 3.140 1.00 0.00 C ATOM 406 C ARG A 29 10.019 2.409 3.784 1.00 0.00 C ATOM 407 O ARG A 29 9.266 1.671 4.418 1.00 0.00 O ATOM 408 CB ARG A 29 11.020 1.503 1.678 1.00 0.00 C ATOM 409 CG ARG A 29 12.272 1.474 0.816 1.00 0.00 C ATOM 410 CD ARG A 29 12.791 2.876 0.541 1.00 0.00 C ATOM 411 NE ARG A 29 13.834 2.882 -0.481 1.00 0.00 N ATOM 412 CZ ARG A 29 15.101 2.564 -0.241 1.00 0.00 C ATOM 413 NH1 ARG A 29 15.480 2.215 0.981 1.00 0.00 N ATOM 414 NH2 ARG A 29 15.992 2.593 -1.224 1.00 0.00 N ATOM 0 H ARG A 29 11.051 0.044 4.157 1.00 0.00 H new ATOM 0 HA ARG A 29 12.059 2.633 3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.537 0.527 1.636 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.318 2.224 1.259 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.045 0.890 1.315 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.054 0.974 -0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.966 3.512 0.221 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.184 3.304 1.463 1.00 0.00 H new ATOM 0 HE ARG A 29 13.575 3.145 -1.432 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.798 2.190 1.739 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.454 1.971 1.163 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.704 2.860 -2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.965 2.349 -1.038 1.00 0.00 H new ATOM 428 N TRP A 30 9.789 3.706 3.615 1.00 0.00 N ATOM 429 CA TRP A 30 8.609 4.352 4.180 1.00 0.00 C ATOM 430 C TRP A 30 7.469 4.386 3.168 1.00 0.00 C ATOM 431 O TRP A 30 7.543 5.086 2.159 1.00 0.00 O ATOM 432 CB TRP A 30 8.948 5.774 4.632 1.00 0.00 C ATOM 433 CG TRP A 30 7.738 6.621 4.887 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.349 7.725 4.184 1.00 0.00 C ATOM 435 CD2 TRP A 30 6.762 6.433 5.917 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.189 8.235 4.715 1.00 0.00 N ATOM 437 CE2 TRP A 30 5.808 7.460 5.779 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.600 5.496 6.941 1.00 0.00 C ATOM 439 CZ2 TRP A 30 4.710 7.575 6.628 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.510 5.612 7.783 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.576 6.644 7.622 1.00 0.00 C ATOM 0 H TRP A 30 10.403 4.331 3.092 1.00 0.00 H new ATOM 0 HA TRP A 30 8.286 3.770 5.043 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.547 5.725 5.542 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.564 6.253 3.870 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.876 8.137 3.336 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.692 9.057 4.373 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.313 4.696 7.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.990 8.371 6.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.376 4.895 8.579 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.734 6.706 8.295 1.00 0.00 H new ATOM 452 N PHE A 31 6.416 3.625 3.445 1.00 0.00 N ATOM 453 CA PHE A 31 5.260 3.567 2.557 1.00 0.00 C ATOM 454 C PHE A 31 4.097 4.374 3.126 1.00 0.00 C ATOM 455 O PHE A 31 3.765 4.260 4.306 1.00 0.00 O ATOM 456 CB PHE A 31 4.830 2.115 2.339 1.00 0.00 C ATOM 457 CG PHE A 31 5.762 1.341 1.451 1.00 0.00 C ATOM 458 CD1 PHE A 31 6.948 0.828 1.950 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.450 1.124 0.119 1.00 0.00 C ATOM 460 CE1 PHE A 31 7.808 0.116 1.135 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.306 0.412 -0.701 1.00 0.00 C ATOM 462 CZ PHE A 31 7.486 -0.093 -0.192 1.00 0.00 C ATOM 0 H PHE A 31 6.339 3.040 4.277 1.00 0.00 H new ATOM 0 HA PHE A 31 5.546 4.001 1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.763 1.615 3.305 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.831 2.102 1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.204 0.986 2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.528 1.515 -0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.731 -0.277 1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.052 0.251 -1.738 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.156 -0.650 -0.830 1.00 0.00 H new ATOM 472 N PHE A 32 3.481 5.191 2.278 1.00 0.00 N ATOM 473 CA PHE A 32 2.355 6.019 2.695 1.00 0.00 C ATOM 474 C PHE A 32 1.332 6.153 1.571 1.00 0.00 C ATOM 475 O PHE A 32 1.687 6.429 0.424 1.00 0.00 O ATOM 476 CB PHE A 32 2.845 7.404 3.122 1.00 0.00 C ATOM 477 CG PHE A 32 3.235 8.284 1.969 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.268 8.880 1.177 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.570 8.515 1.678 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.624 9.691 0.115 1.00 0.00 C ATOM 481 CE2 PHE A 32 4.932 9.324 0.618 1.00 0.00 C ATOM 482 CZ PHE A 32 3.958 9.912 -0.165 1.00 0.00 C ATOM 0 H PHE A 32 3.742 5.298 1.298 1.00 0.00 H new ATOM 0 HA PHE A 32 1.873 5.533 3.544 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.060 7.897 3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.701 7.289 3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.223 8.709 1.391 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.336 8.058 2.287 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.860 10.151 -0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.976 9.496 0.402 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.239 10.544 -0.995 1.00 0.00 H new ATOM 492 N TYR A 33 0.063 5.956 1.908 1.00 0.00 N ATOM 493 CA TYR A 33 -1.012 6.052 0.927 1.00 0.00 C ATOM 494 C TYR A 33 -1.416 7.505 0.702 1.00 0.00 C ATOM 495 O TYR A 33 -1.394 8.318 1.626 1.00 0.00 O ATOM 496 CB TYR A 33 -2.224 5.239 1.386 1.00 0.00 C ATOM 497 CG TYR A 33 -3.460 5.469 0.548 1.00 0.00 C ATOM 498 CD1 TYR A 33 -4.246 6.601 0.729 1.00 0.00 C ATOM 499 CD2 TYR A 33 -3.844 4.555 -0.425 1.00 0.00 C ATOM 500 CE1 TYR A 33 -5.377 6.815 -0.034 1.00 0.00 C ATOM 501 CE2 TYR A 33 -4.973 4.762 -1.195 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.736 5.893 -0.995 1.00 0.00 C ATOM 503 OH TYR A 33 -6.862 6.102 -1.758 1.00 0.00 O ATOM 0 H TYR A 33 -0.247 5.729 2.853 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.646 5.646 -0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.970 4.179 1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.447 5.489 2.423 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.967 7.326 1.479 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.250 3.667 -0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.977 7.699 0.121 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.256 4.042 -1.949 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.847 5.504 -2.534 1.00 0.00 H new ATOM 513 N ASP A 34 -1.785 7.825 -0.534 1.00 0.00 N ATOM 514 CA ASP A 34 -2.197 9.180 -0.882 1.00 0.00 C ATOM 515 C ASP A 34 -3.646 9.202 -1.358 1.00 0.00 C ATOM 516 O ASP A 34 -3.998 8.544 -2.336 1.00 0.00 O ATOM 517 CB ASP A 34 -1.282 9.750 -1.967 1.00 0.00 C ATOM 518 CG ASP A 34 -1.214 11.264 -1.929 1.00 0.00 C ATOM 519 OD1 ASP A 34 -2.055 11.879 -1.242 1.00 0.00 O ATOM 520 OD2 ASP A 34 -0.318 11.835 -2.588 1.00 0.00 O ATOM 0 H ASP A 34 -1.807 7.165 -1.311 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.118 9.799 0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.279 9.341 -1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.640 9.430 -2.945 1.00 0.00 H new ATOM 525 N GLU A 35 -4.482 9.963 -0.658 1.00 0.00 N ATOM 526 CA GLU A 35 -5.893 10.069 -1.008 1.00 0.00 C ATOM 527 C GLU A 35 -6.116 11.167 -2.044 1.00 0.00 C ATOM 528 O GLU A 35 -7.236 11.378 -2.509 1.00 0.00 O ATOM 529 CB GLU A 35 -6.732 10.353 0.240 1.00 0.00 C ATOM 530 CG GLU A 35 -6.305 11.605 0.988 1.00 0.00 C ATOM 531 CD GLU A 35 -7.343 12.066 1.993 1.00 0.00 C ATOM 532 OE1 GLU A 35 -8.463 12.418 1.568 1.00 0.00 O ATOM 533 OE2 GLU A 35 -7.035 12.074 3.203 1.00 0.00 O ATOM 0 H GLU A 35 -4.206 10.515 0.154 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.206 9.118 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.778 10.452 -0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.668 9.498 0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.365 11.412 1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.117 12.405 0.272 1.00 0.00 H new ATOM 540 N ARG A 36 -5.041 11.862 -2.401 1.00 0.00 N ATOM 541 CA ARG A 36 -5.118 12.939 -3.380 1.00 0.00 C ATOM 542 C ARG A 36 -5.198 12.380 -4.798 1.00 0.00 C ATOM 543 O ARG A 36 -6.028 12.808 -5.600 1.00 0.00 O ATOM 544 CB ARG A 36 -3.905 13.862 -3.252 1.00 0.00 C ATOM 545 CG ARG A 36 -4.084 14.963 -2.219 1.00 0.00 C ATOM 546 CD ARG A 36 -4.614 16.240 -2.852 1.00 0.00 C ATOM 547 NE ARG A 36 -4.655 17.347 -1.900 1.00 0.00 N ATOM 548 CZ ARG A 36 -3.573 17.991 -1.477 1.00 0.00 C ATOM 549 NH1 ARG A 36 -2.373 17.641 -1.918 1.00 0.00 N ATOM 550 NH2 ARG A 36 -3.691 18.989 -0.610 1.00 0.00 N ATOM 0 H ARG A 36 -4.106 11.698 -2.027 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.024 13.512 -3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.032 13.266 -2.988 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.700 14.315 -4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.772 14.627 -1.443 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.130 15.166 -1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.984 16.513 -3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.615 16.062 -3.244 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.563 17.641 -1.541 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.278 16.875 -2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.544 18.138 -1.591 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.613 19.262 -0.268 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.860 19.483 -0.285 1.00 0.00 H new ATOM 564 N LYS A 37 -4.328 11.422 -5.100 1.00 0.00 N ATOM 565 CA LYS A 37 -4.299 10.803 -6.420 1.00 0.00 C ATOM 566 C LYS A 37 -4.703 9.335 -6.341 1.00 0.00 C ATOM 567 O LYS A 37 -4.596 8.598 -7.323 1.00 0.00 O ATOM 568 CB LYS A 37 -2.902 10.926 -7.033 1.00 0.00 C ATOM 569 CG LYS A 37 -2.296 12.312 -6.893 1.00 0.00 C ATOM 570 CD LYS A 37 -1.032 12.455 -7.724 1.00 0.00 C ATOM 571 CE LYS A 37 -0.466 13.864 -7.639 1.00 0.00 C ATOM 572 NZ LYS A 37 0.255 14.248 -8.884 1.00 0.00 N ATOM 0 H LYS A 37 -3.633 11.057 -4.448 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.015 11.325 -7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.241 10.200 -6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.954 10.667 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.024 13.061 -7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.067 12.506 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.285 11.740 -7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.249 12.211 -8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.276 14.570 -7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.214 13.932 -6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.626 15.215 -8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.044 13.589 -9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.400 14.208 -9.691 1.00 0.00 H new ATOM 586 N CYS A 38 -5.170 8.916 -5.170 1.00 0.00 N ATOM 587 CA CYS A 38 -5.591 7.535 -4.964 1.00 0.00 C ATOM 588 C CYS A 38 -4.473 6.565 -5.330 1.00 0.00 C ATOM 589 O CYS A 38 -4.688 5.605 -6.069 1.00 0.00 O ATOM 590 CB CYS A 38 -6.838 7.231 -5.796 1.00 0.00 C ATOM 591 SG CYS A 38 -8.372 7.880 -5.091 1.00 0.00 S ATOM 0 H CYS A 38 -5.267 9.513 -4.349 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.827 7.407 -3.908 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.705 7.647 -6.795 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.931 6.151 -5.910 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.369 7.574 -5.867 1.00 0.00 H new ATOM 597 N GLN A 39 -3.278 6.824 -4.808 1.00 0.00 N ATOM 598 CA GLN A 39 -2.125 5.975 -5.082 1.00 0.00 C ATOM 599 C GLN A 39 -1.268 5.800 -3.832 1.00 0.00 C ATOM 600 O GLN A 39 -1.359 6.588 -2.890 1.00 0.00 O ATOM 601 CB GLN A 39 -1.284 6.569 -6.212 1.00 0.00 C ATOM 602 CG GLN A 39 -1.961 6.509 -7.571 1.00 0.00 C ATOM 603 CD GLN A 39 -1.027 6.880 -8.706 1.00 0.00 C ATOM 604 OE1 GLN A 39 0.042 6.109 -8.869 1.00 0.00 O flip ATOM 605 NE2 GLN A 39 -1.263 7.848 -9.429 1.00 0.00 N flip ATOM 0 H GLN A 39 -3.083 7.615 -4.193 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.492 4.996 -5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.055 7.608 -5.975 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.334 6.037 -6.265 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.346 5.503 -7.737 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.818 7.183 -7.576 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.096 8.414 -9.268 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.625 8.084 -10.189 1.00 0.00 H new ATOM 614 N LEU A 40 -0.438 4.763 -3.830 1.00 0.00 N ATOM 615 CA LEU A 40 0.435 4.485 -2.695 1.00 0.00 C ATOM 616 C LEU A 40 1.869 4.914 -2.993 1.00 0.00 C ATOM 617 O LEU A 40 2.568 4.274 -3.779 1.00 0.00 O ATOM 618 CB LEU A 40 0.398 2.995 -2.351 1.00 0.00 C ATOM 619 CG LEU A 40 1.383 2.528 -1.279 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.876 2.895 0.108 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.616 1.028 -1.384 1.00 0.00 C ATOM 0 H LEU A 40 -0.351 4.101 -4.601 1.00 0.00 H new ATOM 0 HA LEU A 40 0.073 5.058 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.611 2.743 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.588 2.428 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 40 2.334 3.035 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.590 2.555 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.762 3.977 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.088 2.417 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.320 0.714 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.671 0.503 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.025 0.791 -2.366 1.00 0.00 H new ATOM 633 N TYR A 41 2.300 5.998 -2.359 1.00 0.00 N ATOM 634 CA TYR A 41 3.650 6.513 -2.556 1.00 0.00 C ATOM 635 C TYR A 41 4.562 6.106 -1.403 1.00 0.00 C ATOM 636 O TYR A 41 4.135 6.047 -0.249 1.00 0.00 O ATOM 637 CB TYR A 41 3.623 8.036 -2.687 1.00 0.00 C ATOM 638 CG TYR A 41 2.917 8.525 -3.931 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.535 8.666 -3.959 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.631 8.848 -5.078 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.885 9.111 -5.093 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.990 9.295 -6.217 1.00 0.00 C ATOM 643 CZ TYR A 41 1.617 9.425 -6.220 1.00 0.00 C ATOM 644 OH TYR A 41 0.974 9.870 -7.352 1.00 0.00 O ATOM 0 H TYR A 41 1.734 6.538 -1.704 1.00 0.00 H new ATOM 0 HA TYR A 41 4.045 6.083 -3.476 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.132 8.459 -1.811 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.647 8.410 -2.690 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.959 8.423 -3.078 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.706 8.748 -5.079 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.190 9.213 -5.098 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.561 9.541 -7.100 1.00 0.00 H new ATOM 0 HH TYR A 41 1.634 10.048 -8.054 1.00 0.00 H new ATOM 654 N TYR A 42 5.820 5.826 -1.723 1.00 0.00 N ATOM 655 CA TYR A 42 6.794 5.423 -0.715 1.00 0.00 C ATOM 656 C TYR A 42 8.157 6.048 -0.993 1.00 0.00 C ATOM 657 O TYR A 42 8.592 6.131 -2.142 1.00 0.00 O ATOM 658 CB TYR A 42 6.918 3.899 -0.676 1.00 0.00 C ATOM 659 CG TYR A 42 7.605 3.316 -1.891 1.00 0.00 C ATOM 660 CD1 TYR A 42 8.985 3.386 -2.033 1.00 0.00 C ATOM 661 CD2 TYR A 42 6.873 2.697 -2.897 1.00 0.00 C ATOM 662 CE1 TYR A 42 9.617 2.856 -3.142 1.00 0.00 C ATOM 663 CE2 TYR A 42 7.497 2.163 -4.008 1.00 0.00 C ATOM 664 CZ TYR A 42 8.868 2.245 -4.126 1.00 0.00 C ATOM 665 OH TYR A 42 9.493 1.716 -5.232 1.00 0.00 O ATOM 0 H TYR A 42 6.190 5.871 -2.673 1.00 0.00 H new ATOM 0 HA TYR A 42 6.443 5.778 0.254 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.472 3.611 0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.922 3.464 -0.588 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.574 3.863 -1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.799 2.632 -2.809 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.691 2.920 -3.238 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.914 1.684 -4.780 1.00 0.00 H new ATOM 0 HH TYR A 42 10.394 1.419 -4.988 1.00 0.00 H new ATOM 675 N SER A 43 8.827 6.487 0.068 1.00 0.00 N ATOM 676 CA SER A 43 10.140 7.109 -0.061 1.00 0.00 C ATOM 677 C SER A 43 11.146 6.452 0.880 1.00 0.00 C ATOM 678 O SER A 43 10.816 5.509 1.599 1.00 0.00 O ATOM 679 CB SER A 43 10.050 8.607 0.236 1.00 0.00 C ATOM 680 OG SER A 43 9.857 8.842 1.620 1.00 0.00 O ATOM 0 H SER A 43 8.483 6.424 1.026 1.00 0.00 H new ATOM 0 HA SER A 43 10.482 6.970 -1.087 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.962 9.102 -0.096 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.226 9.044 -0.329 1.00 0.00 H new ATOM 0 HG SER A 43 10.641 9.303 1.986 1.00 0.00 H new ATOM 686 N ARG A 44 12.375 6.959 0.868 1.00 0.00 N ATOM 687 CA ARG A 44 13.430 6.422 1.719 1.00 0.00 C ATOM 688 C ARG A 44 13.097 6.626 3.194 1.00 0.00 C ATOM 689 O ARG A 44 13.373 5.765 4.030 1.00 0.00 O ATOM 690 CB ARG A 44 14.768 7.088 1.390 1.00 0.00 C ATOM 691 CG ARG A 44 15.527 6.407 0.264 1.00 0.00 C ATOM 692 CD ARG A 44 16.863 7.084 0.003 1.00 0.00 C ATOM 693 NE ARG A 44 17.738 6.266 -0.833 1.00 0.00 N ATOM 694 CZ ARG A 44 18.830 6.731 -1.430 1.00 0.00 C ATOM 695 NH1 ARG A 44 19.179 8.002 -1.284 1.00 0.00 N ATOM 696 NH2 ARG A 44 19.575 5.924 -2.174 1.00 0.00 N ATOM 0 H ARG A 44 12.664 7.740 0.279 1.00 0.00 H new ATOM 0 HA ARG A 44 13.507 5.352 1.527 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.589 8.128 1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.391 7.094 2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.692 5.360 0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.925 6.425 -0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.693 8.045 -0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 44 17.357 7.289 0.953 1.00 0.00 H new ATOM 0 HE ARG A 44 17.497 5.284 -0.966 1.00 0.00 H new ATOM 0 HH11 ARG A 44 18.609 8.625 -0.712 1.00 0.00 H new ATOM 0 HH12 ARG A 44 20.018 8.357 -1.743 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.310 4.946 -2.288 1.00 0.00 H new ATOM 0 HH22 ARG A 44 20.413 6.282 -2.632 1.00 0.00 H new ATOM 710 N THR A 45 12.501 7.773 3.507 1.00 0.00 N ATOM 711 CA THR A 45 12.131 8.091 4.881 1.00 0.00 C ATOM 712 C THR A 45 10.927 9.025 4.923 1.00 0.00 C ATOM 713 O THR A 45 10.712 9.818 4.007 1.00 0.00 O ATOM 714 CB THR A 45 13.301 8.745 5.640 1.00 0.00 C ATOM 715 OG1 THR A 45 13.503 10.083 5.171 1.00 0.00 O ATOM 716 CG2 THR A 45 14.580 7.940 5.461 1.00 0.00 C ATOM 0 H THR A 45 12.264 8.496 2.828 1.00 0.00 H new ATOM 0 HA THR A 45 11.874 7.149 5.366 1.00 0.00 H new ATOM 0 HB THR A 45 13.050 8.767 6.700 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.247 10.492 5.660 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.392 8.421 6.006 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.432 6.931 5.847 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.833 7.890 4.402 1.00 0.00 H new ATOM 787 N PRO A 51 8.517 11.181 -2.980 1.00 0.00 N ATOM 788 CA PRO A 51 8.347 9.731 -3.112 1.00 0.00 C ATOM 789 C PRO A 51 9.083 9.170 -4.324 1.00 0.00 C ATOM 790 O PRO A 51 8.942 9.675 -5.438 1.00 0.00 O ATOM 791 CB PRO A 51 6.835 9.565 -3.281 1.00 0.00 C ATOM 792 CG PRO A 51 6.372 10.863 -3.848 1.00 0.00 C ATOM 793 CD PRO A 51 7.272 11.915 -3.262 1.00 0.00 C ATOM 0 HA PRO A 51 8.756 9.193 -2.257 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.600 8.735 -3.948 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.351 9.354 -2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.434 10.858 -4.936 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.330 11.052 -3.589 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.439 12.735 -3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.847 12.348 -2.357 1.00 0.00 H new ATOM 801 N LEU A 52 9.869 8.122 -4.100 1.00 0.00 N ATOM 802 CA LEU A 52 10.627 7.491 -5.174 1.00 0.00 C ATOM 803 C LEU A 52 9.696 6.963 -6.261 1.00 0.00 C ATOM 804 O LEU A 52 9.822 7.325 -7.431 1.00 0.00 O ATOM 805 CB LEU A 52 11.481 6.349 -4.620 1.00 0.00 C ATOM 806 CG LEU A 52 12.554 6.746 -3.605 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.945 5.552 -2.748 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.773 7.318 -4.313 1.00 0.00 C ATOM 0 H LEU A 52 9.998 7.692 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 52 11.280 8.244 -5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.819 5.620 -4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.968 5.847 -5.456 1.00 0.00 H new ATOM 0 HG LEU A 52 12.143 7.517 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.709 5.853 -2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.069 5.186 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.337 4.759 -3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.526 7.595 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.186 6.569 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.482 8.200 -4.883 1.00 0.00 H new ATOM 820 N ASP A 53 8.760 6.107 -5.866 1.00 0.00 N ATOM 821 CA ASP A 53 7.805 5.531 -6.805 1.00 0.00 C ATOM 822 C ASP A 53 6.428 5.390 -6.162 1.00 0.00 C ATOM 823 O ASP A 53 6.285 5.515 -4.946 1.00 0.00 O ATOM 824 CB ASP A 53 8.296 4.168 -7.294 1.00 0.00 C ATOM 825 CG ASP A 53 7.474 3.638 -8.453 1.00 0.00 C ATOM 826 OD1 ASP A 53 7.724 4.063 -9.601 1.00 0.00 O ATOM 827 OD2 ASP A 53 6.583 2.798 -8.213 1.00 0.00 O ATOM 0 H ASP A 53 8.642 5.797 -4.901 1.00 0.00 H new ATOM 0 HA ASP A 53 7.720 6.204 -7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.339 4.249 -7.599 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.259 3.455 -6.470 1.00 0.00 H new ATOM 832 N SER A 54 5.420 5.128 -6.987 1.00 0.00 N ATOM 833 CA SER A 54 4.054 4.974 -6.500 1.00 0.00 C ATOM 834 C SER A 54 3.403 3.728 -7.092 1.00 0.00 C ATOM 835 O SER A 54 3.846 3.212 -8.119 1.00 0.00 O ATOM 836 CB SER A 54 3.223 6.211 -6.847 1.00 0.00 C ATOM 837 OG SER A 54 2.628 6.083 -8.126 1.00 0.00 O ATOM 0 H SER A 54 5.523 5.018 -7.996 1.00 0.00 H new ATOM 0 HA SER A 54 4.092 4.863 -5.416 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.448 6.355 -6.095 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.857 7.097 -6.825 1.00 0.00 H new ATOM 0 HG SER A 54 1.653 6.119 -8.038 1.00 0.00 H new ATOM 843 N ILE A 55 2.349 3.251 -6.438 1.00 0.00 N ATOM 844 CA ILE A 55 1.636 2.066 -6.900 1.00 0.00 C ATOM 845 C ILE A 55 0.134 2.320 -6.965 1.00 0.00 C ATOM 846 O ILE A 55 -0.483 2.712 -5.974 1.00 0.00 O ATOM 847 CB ILE A 55 1.903 0.856 -5.985 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.405 0.584 -5.888 1.00 0.00 C ATOM 849 CG2 ILE A 55 1.169 -0.371 -6.503 1.00 0.00 C ATOM 850 CD1 ILE A 55 4.083 1.333 -4.762 1.00 0.00 C ATOM 0 H ILE A 55 1.970 3.667 -5.587 1.00 0.00 H new ATOM 0 HA ILE A 55 2.008 1.843 -7.900 1.00 0.00 H new ATOM 0 HB ILE A 55 1.529 1.084 -4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.564 -0.485 -5.750 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.877 0.857 -6.832 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.367 -1.218 -5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.098 -0.172 -6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.515 -0.604 -7.510 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.146 1.092 -4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.955 2.405 -4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.637 1.042 -3.811 1.00 0.00 H new ATOM 862 N ASP A 56 -0.449 2.091 -8.136 1.00 0.00 N ATOM 863 CA ASP A 56 -1.881 2.291 -8.330 1.00 0.00 C ATOM 864 C ASP A 56 -2.678 1.143 -7.719 1.00 0.00 C ATOM 865 O ASP A 56 -2.787 0.066 -8.308 1.00 0.00 O ATOM 866 CB ASP A 56 -2.203 2.416 -9.820 1.00 0.00 C ATOM 867 CG ASP A 56 -3.684 2.609 -10.078 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.186 3.727 -9.838 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.341 1.643 -10.518 1.00 0.00 O ATOM 0 H ASP A 56 0.048 1.767 -8.966 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.165 3.215 -7.826 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.652 3.258 -10.238 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.860 1.521 -10.339 1.00 0.00 H new ATOM 874 N LEU A 57 -3.232 1.378 -6.535 1.00 0.00 N ATOM 875 CA LEU A 57 -4.019 0.363 -5.843 1.00 0.00 C ATOM 876 C LEU A 57 -5.408 0.238 -6.459 1.00 0.00 C ATOM 877 O LEU A 57 -6.136 -0.716 -6.184 1.00 0.00 O ATOM 878 CB LEU A 57 -4.136 0.706 -4.357 1.00 0.00 C ATOM 879 CG LEU A 57 -2.844 1.141 -3.664 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.148 1.761 -2.309 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.897 -0.040 -3.513 1.00 0.00 C ATOM 0 H LEU A 57 -3.151 2.263 -6.034 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.507 -0.594 -5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.871 1.504 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.530 -0.165 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.357 1.894 -4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.217 2.064 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.788 2.633 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.657 1.030 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.983 0.288 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.375 -0.816 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.653 -0.439 -4.498 1.00 0.00 H new ATOM 893 N SER A 58 -5.769 1.206 -7.295 1.00 0.00 N ATOM 894 CA SER A 58 -7.072 1.205 -7.950 1.00 0.00 C ATOM 895 C SER A 58 -7.353 -0.147 -8.599 1.00 0.00 C ATOM 896 O SER A 58 -8.488 -0.622 -8.606 1.00 0.00 O ATOM 897 CB SER A 58 -7.139 2.313 -9.002 1.00 0.00 C ATOM 898 OG SER A 58 -8.360 2.262 -9.720 1.00 0.00 O ATOM 0 H SER A 58 -5.177 2.001 -7.535 1.00 0.00 H new ATOM 0 HA SER A 58 -7.832 1.389 -7.191 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.038 3.285 -8.518 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.302 2.213 -9.694 1.00 0.00 H new ATOM 0 HG SER A 58 -8.379 2.981 -10.385 1.00 0.00 H new ATOM 904 N SER A 59 -6.308 -0.762 -9.146 1.00 0.00 N ATOM 905 CA SER A 59 -6.441 -2.058 -9.802 1.00 0.00 C ATOM 906 C SER A 59 -5.363 -3.024 -9.320 1.00 0.00 C ATOM 907 O SER A 59 -4.770 -3.754 -10.113 1.00 0.00 O ATOM 908 CB SER A 59 -6.355 -1.895 -11.321 1.00 0.00 C ATOM 909 OG SER A 59 -7.629 -1.622 -11.878 1.00 0.00 O ATOM 0 H SER A 59 -5.361 -0.384 -9.148 1.00 0.00 H new ATOM 0 HA SER A 59 -7.416 -2.471 -9.543 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.667 -1.085 -11.565 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.948 -2.803 -11.765 1.00 0.00 H new ATOM 0 HG SER A 59 -7.546 -1.520 -12.849 1.00 0.00 H new ATOM 915 N ALA A 60 -5.116 -3.021 -8.014 1.00 0.00 N ATOM 916 CA ALA A 60 -4.111 -3.897 -7.425 1.00 0.00 C ATOM 917 C ALA A 60 -4.744 -4.871 -6.436 1.00 0.00 C ATOM 918 O ALA A 60 -5.678 -4.519 -5.716 1.00 0.00 O ATOM 919 CB ALA A 60 -3.029 -3.075 -6.741 1.00 0.00 C ATOM 0 H ALA A 60 -5.598 -2.422 -7.344 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.656 -4.478 -8.227 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.285 -3.743 -6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.549 -2.425 -7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.476 -2.468 -5.954 1.00 0.00 H new ATOM 925 N VAL A 61 -4.229 -6.096 -6.408 1.00 0.00 N ATOM 926 CA VAL A 61 -4.744 -7.120 -5.507 1.00 0.00 C ATOM 927 C VAL A 61 -3.684 -7.548 -4.498 1.00 0.00 C ATOM 928 O VAL A 61 -2.613 -8.026 -4.872 1.00 0.00 O ATOM 929 CB VAL A 61 -5.227 -8.360 -6.283 1.00 0.00 C ATOM 930 CG1 VAL A 61 -4.308 -8.643 -7.462 1.00 0.00 C ATOM 931 CG2 VAL A 61 -5.313 -9.566 -5.361 1.00 0.00 C ATOM 0 H VAL A 61 -3.456 -6.403 -6.998 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.589 -6.679 -4.978 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.225 -8.158 -6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.665 -9.522 -7.998 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.304 -7.785 -8.134 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.296 -8.825 -7.099 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.656 -10.433 -5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.329 -9.773 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.016 -9.358 -4.554 1.00 0.00 H new ATOM 941 N PHE A 62 -3.990 -7.373 -3.217 1.00 0.00 N ATOM 942 CA PHE A 62 -3.063 -7.741 -2.153 1.00 0.00 C ATOM 943 C PHE A 62 -3.208 -9.215 -1.790 1.00 0.00 C ATOM 944 O PHE A 62 -4.314 -9.700 -1.546 1.00 0.00 O ATOM 945 CB PHE A 62 -3.304 -6.873 -0.915 1.00 0.00 C ATOM 946 CG PHE A 62 -3.851 -5.511 -1.235 1.00 0.00 C ATOM 947 CD1 PHE A 62 -3.019 -4.511 -1.714 1.00 0.00 C ATOM 948 CD2 PHE A 62 -5.196 -5.231 -1.057 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.519 -3.257 -2.009 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.701 -3.979 -1.351 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.862 -2.990 -1.827 1.00 0.00 C ATOM 0 H PHE A 62 -4.872 -6.979 -2.890 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.049 -7.573 -2.515 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.998 -7.387 -0.250 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.366 -6.761 -0.372 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.968 -4.714 -1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.857 -6.000 -0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.860 -2.486 -2.382 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.752 -3.773 -1.209 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.255 -2.011 -2.056 1.00 0.00 H new ATOM 961 N ASP A 63 -2.085 -9.924 -1.757 1.00 0.00 N ATOM 962 CA ASP A 63 -2.086 -11.344 -1.424 1.00 0.00 C ATOM 963 C ASP A 63 -1.100 -11.638 -0.298 1.00 0.00 C ATOM 964 O ASP A 63 -0.200 -10.843 -0.024 1.00 0.00 O ATOM 965 CB ASP A 63 -1.736 -12.179 -2.657 1.00 0.00 C ATOM 966 CG ASP A 63 -1.913 -13.665 -2.418 1.00 0.00 C ATOM 967 OD1 ASP A 63 -3.072 -14.130 -2.411 1.00 0.00 O ATOM 968 OD2 ASP A 63 -0.894 -14.364 -2.238 1.00 0.00 O ATOM 0 H ASP A 63 -1.162 -9.539 -1.957 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.087 -11.612 -1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.365 -11.871 -3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.704 -11.981 -2.946 1.00 0.00 H new ATOM 973 N CYS A 64 -1.275 -12.784 0.351 1.00 0.00 N ATOM 974 CA CYS A 64 -0.402 -13.183 1.449 1.00 0.00 C ATOM 975 C CYS A 64 0.503 -14.338 1.032 1.00 0.00 C ATOM 976 O CYS A 64 0.063 -15.276 0.367 1.00 0.00 O ATOM 977 CB CYS A 64 -1.233 -13.584 2.669 1.00 0.00 C ATOM 978 SG CYS A 64 -2.187 -15.103 2.444 1.00 0.00 S ATOM 0 H CYS A 64 -2.014 -13.453 0.136 1.00 0.00 H new ATOM 0 HA CYS A 64 0.225 -12.331 1.710 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.568 -13.708 3.524 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.917 -12.771 2.913 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.671 -15.800 1.476 1.00 0.00 H new ATOM 984 N LYS A 65 1.770 -14.261 1.425 1.00 0.00 N ATOM 985 CA LYS A 65 2.738 -15.299 1.093 1.00 0.00 C ATOM 986 C LYS A 65 2.437 -16.588 1.851 1.00 0.00 C ATOM 987 O LYS A 65 1.541 -16.628 2.694 1.00 0.00 O ATOM 988 CB LYS A 65 4.157 -14.825 1.416 1.00 0.00 C ATOM 989 CG LYS A 65 4.829 -14.090 0.269 1.00 0.00 C ATOM 990 CD LYS A 65 5.442 -15.057 -0.730 1.00 0.00 C ATOM 991 CE LYS A 65 6.881 -15.392 -0.370 1.00 0.00 C ATOM 992 NZ LYS A 65 7.299 -16.709 -0.924 1.00 0.00 N ATOM 0 H LYS A 65 2.150 -13.490 1.974 1.00 0.00 H new ATOM 0 HA LYS A 65 2.663 -15.501 0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.123 -14.169 2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.765 -15.687 1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.099 -13.458 -0.236 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.604 -13.432 0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.851 -15.972 -0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.408 -14.621 -1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.541 -14.612 -0.750 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.991 -15.403 0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.286 -16.901 -0.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.685 -17.457 -0.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.219 -16.691 -1.961 1.00 0.00 H new ATOM 1006 N ALA A 66 3.191 -17.639 1.547 1.00 0.00 N ATOM 1007 CA ALA A 66 3.006 -18.927 2.203 1.00 0.00 C ATOM 1008 C ALA A 66 3.498 -18.884 3.646 1.00 0.00 C ATOM 1009 O ALA A 66 2.954 -19.562 4.517 1.00 0.00 O ATOM 1010 CB ALA A 66 3.728 -20.021 1.430 1.00 0.00 C ATOM 0 H ALA A 66 3.936 -17.624 0.850 1.00 0.00 H new ATOM 0 HA ALA A 66 1.939 -19.150 2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.582 -20.978 1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.327 -20.076 0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.793 -19.794 1.387 1.00 0.00 H new ATOM 1016 N ASP A 67 4.530 -18.084 3.891 1.00 0.00 N ATOM 1017 CA ASP A 67 5.095 -17.953 5.229 1.00 0.00 C ATOM 1018 C ASP A 67 4.529 -16.727 5.939 1.00 0.00 C ATOM 1019 O ASP A 67 5.205 -16.105 6.758 1.00 0.00 O ATOM 1020 CB ASP A 67 6.619 -17.856 5.154 1.00 0.00 C ATOM 1021 CG ASP A 67 7.284 -19.217 5.095 1.00 0.00 C ATOM 1022 OD1 ASP A 67 6.788 -20.148 5.764 1.00 0.00 O ATOM 1023 OD2 ASP A 67 8.300 -19.351 4.382 1.00 0.00 O ATOM 0 H ASP A 67 4.992 -17.517 3.181 1.00 0.00 H new ATOM 0 HA ASP A 67 4.823 -18.840 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.900 -17.279 4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.989 -17.312 6.023 1.00 0.00 H new ATOM 1028 N ALA A 68 3.284 -16.387 5.620 1.00 0.00 N ATOM 1029 CA ALA A 68 2.627 -15.237 6.228 1.00 0.00 C ATOM 1030 C ALA A 68 2.745 -15.277 7.748 1.00 0.00 C ATOM 1031 O ALA A 68 2.588 -14.258 8.419 1.00 0.00 O ATOM 1032 CB ALA A 68 1.165 -15.183 5.812 1.00 0.00 C ATOM 0 H ALA A 68 2.711 -16.892 4.944 1.00 0.00 H new ATOM 0 HA ALA A 68 3.128 -14.336 5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.687 -14.319 6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.098 -15.098 4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.661 -16.093 6.136 1.00 0.00 H new ATOM 1038 N GLU A 69 3.022 -16.462 8.284 1.00 0.00 N ATOM 1039 CA GLU A 69 3.159 -16.635 9.726 1.00 0.00 C ATOM 1040 C GLU A 69 4.017 -15.526 10.327 1.00 0.00 C ATOM 1041 O GLU A 69 3.891 -15.201 11.507 1.00 0.00 O ATOM 1042 CB GLU A 69 3.774 -17.999 10.042 1.00 0.00 C ATOM 1043 CG GLU A 69 5.161 -18.193 9.453 1.00 0.00 C ATOM 1044 CD GLU A 69 5.545 -19.655 9.335 1.00 0.00 C ATOM 1045 OE1 GLU A 69 4.905 -20.374 8.539 1.00 0.00 O ATOM 1046 OE2 GLU A 69 6.486 -20.081 10.037 1.00 0.00 O ATOM 0 H GLU A 69 3.156 -17.316 7.742 1.00 0.00 H new ATOM 0 HA GLU A 69 2.165 -16.582 10.169 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.827 -18.122 11.124 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.116 -18.781 9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.201 -17.730 8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.892 -17.678 10.077 1.00 0.00 H new ATOM 1053 N GLU A 70 4.890 -14.950 9.506 1.00 0.00 N ATOM 1054 CA GLU A 70 5.770 -13.879 9.958 1.00 0.00 C ATOM 1055 C GLU A 70 5.150 -12.512 9.682 1.00 0.00 C ATOM 1056 O GLU A 70 5.305 -11.578 10.468 1.00 0.00 O ATOM 1057 CB GLU A 70 7.132 -13.982 9.266 1.00 0.00 C ATOM 1058 CG GLU A 70 7.934 -12.692 9.306 1.00 0.00 C ATOM 1059 CD GLU A 70 9.421 -12.923 9.121 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.789 -13.805 8.317 1.00 0.00 O ATOM 1061 OE2 GLU A 70 10.216 -12.222 9.780 1.00 0.00 O ATOM 0 H GLU A 70 5.006 -15.207 8.526 1.00 0.00 H new ATOM 0 HA GLU A 70 5.907 -13.986 11.034 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.711 -14.775 9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.981 -14.274 8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.575 -12.021 8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.764 -12.192 10.260 1.00 0.00 H new ATOM 1068 N GLY A 71 4.447 -12.403 8.559 1.00 0.00 N ATOM 1069 CA GLY A 71 3.814 -11.148 8.198 1.00 0.00 C ATOM 1070 C GLY A 71 4.308 -10.610 6.870 1.00 0.00 C ATOM 1071 O GLY A 71 4.868 -9.515 6.806 1.00 0.00 O ATOM 0 H GLY A 71 4.304 -13.162 7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.734 -11.290 8.150 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.004 -10.411 8.978 1.00 0.00 H new ATOM 1075 N ILE A 72 4.103 -11.381 5.808 1.00 0.00 N ATOM 1076 CA ILE A 72 4.532 -10.975 4.475 1.00 0.00 C ATOM 1077 C ILE A 72 3.372 -11.016 3.487 1.00 0.00 C ATOM 1078 O ILE A 72 2.507 -11.889 3.564 1.00 0.00 O ATOM 1079 CB ILE A 72 5.669 -11.874 3.952 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.723 -12.086 5.041 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.298 -11.263 2.709 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.350 -13.156 6.043 1.00 0.00 C ATOM 0 H ILE A 72 3.643 -12.290 5.844 1.00 0.00 H new ATOM 0 HA ILE A 72 4.897 -9.952 4.559 1.00 0.00 H new ATOM 0 HB ILE A 72 5.251 -12.844 3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.670 -12.353 4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.883 -11.146 5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.099 -11.910 2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.541 -11.160 1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.705 -10.281 2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.143 -13.252 6.785 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.419 -12.881 6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.219 -14.107 5.527 1.00 0.00 H new ATOM 1094 N PHE A 73 3.359 -10.066 2.558 1.00 0.00 N ATOM 1095 CA PHE A 73 2.305 -9.993 1.553 1.00 0.00 C ATOM 1096 C PHE A 73 2.876 -9.602 0.193 1.00 0.00 C ATOM 1097 O PHE A 73 4.078 -9.380 0.055 1.00 0.00 O ATOM 1098 CB PHE A 73 1.235 -8.986 1.979 1.00 0.00 C ATOM 1099 CG PHE A 73 1.792 -7.643 2.356 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.408 -7.454 3.583 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.700 -6.570 1.484 1.00 0.00 C ATOM 1102 CE1 PHE A 73 2.920 -6.219 3.933 1.00 0.00 C ATOM 1103 CE2 PHE A 73 2.212 -5.333 1.829 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.823 -5.158 3.055 1.00 0.00 C ATOM 0 H PHE A 73 4.067 -9.336 2.480 1.00 0.00 H new ATOM 0 HA PHE A 73 1.851 -10.980 1.466 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.522 -8.859 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.682 -9.392 2.826 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.489 -8.281 4.273 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.223 -6.702 0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.396 -6.084 4.893 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.134 -4.505 1.141 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.224 -4.193 3.327 1.00 0.00 H new ATOM 1114 N GLU A 74 2.004 -9.521 -0.807 1.00 0.00 N ATOM 1115 CA GLU A 74 2.422 -9.159 -2.156 1.00 0.00 C ATOM 1116 C GLU A 74 1.282 -8.486 -2.916 1.00 0.00 C ATOM 1117 O GLU A 74 0.167 -9.006 -2.972 1.00 0.00 O ATOM 1118 CB GLU A 74 2.895 -10.398 -2.918 1.00 0.00 C ATOM 1119 CG GLU A 74 4.337 -10.778 -2.626 1.00 0.00 C ATOM 1120 CD GLU A 74 4.720 -12.119 -3.222 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.989 -12.601 -4.113 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.748 -12.685 -2.798 1.00 0.00 O ATOM 0 H GLU A 74 1.005 -9.701 -0.708 1.00 0.00 H new ATOM 0 HA GLU A 74 3.249 -8.454 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.248 -11.238 -2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.784 -10.221 -3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.999 -10.007 -3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.490 -10.807 -1.547 1.00 0.00 H new ATOM 1129 N ILE A 75 1.570 -7.327 -3.498 1.00 0.00 N ATOM 1130 CA ILE A 75 0.571 -6.583 -4.255 1.00 0.00 C ATOM 1131 C ILE A 75 0.702 -6.851 -5.750 1.00 0.00 C ATOM 1132 O ILE A 75 1.665 -6.423 -6.387 1.00 0.00 O ATOM 1133 CB ILE A 75 0.687 -5.068 -4.004 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.788 -4.784 -2.504 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.503 -4.338 -4.608 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.777 -3.309 -2.166 1.00 0.00 C ATOM 0 H ILE A 75 2.487 -6.883 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.405 -6.926 -3.911 1.00 0.00 H new ATOM 0 HB ILE A 75 1.594 -4.703 -4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.042 -5.272 -1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.705 -5.230 -2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.406 -3.268 -4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.533 -4.518 -5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.423 -4.704 -4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.852 -3.183 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.623 -2.819 -2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.152 -2.861 -2.520 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.274 -7.560 -6.306 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.272 -7.884 -7.728 1.00 0.00 C ATOM 1150 C LYS A 76 -0.939 -6.777 -8.539 1.00 0.00 C ATOM 1151 O LYS A 76 -2.110 -6.458 -8.328 1.00 0.00 O ATOM 1152 CB LYS A 76 -0.990 -9.213 -7.971 1.00 0.00 C ATOM 1153 CG LYS A 76 -0.065 -10.418 -7.946 1.00 0.00 C ATOM 1154 CD LYS A 76 -0.778 -11.658 -7.435 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.643 -11.796 -5.926 1.00 0.00 C ATOM 1156 NZ LYS A 76 -0.786 -13.211 -5.484 1.00 0.00 N ATOM 0 H LYS A 76 -1.078 -7.922 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 76 0.764 -7.974 -8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.763 -9.343 -7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.494 -9.173 -8.936 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.318 -10.605 -8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.795 -10.204 -7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.833 -11.609 -7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.366 -12.542 -7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.328 -11.414 -5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.400 -11.184 -5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.145 -13.392 -4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.767 -13.384 -5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.546 -13.847 -6.271 1.00 0.00 H new ATOM 1170 N THR A 77 -0.188 -6.195 -9.469 1.00 0.00 N ATOM 1171 CA THR A 77 -0.706 -5.126 -10.311 1.00 0.00 C ATOM 1172 C THR A 77 -0.429 -5.402 -11.784 1.00 0.00 C ATOM 1173 O THR A 77 0.517 -6.104 -12.141 1.00 0.00 O ATOM 1174 CB THR A 77 -0.093 -3.764 -9.932 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.336 -3.837 -9.990 1.00 0.00 O ATOM 1176 CG2 THR A 77 -0.528 -3.345 -8.536 1.00 0.00 C ATOM 0 H THR A 77 0.782 -6.447 -9.657 1.00 0.00 H new ATOM 0 HA THR A 77 -1.783 -5.090 -10.147 1.00 0.00 H new ATOM 0 HB THR A 77 -0.448 -3.020 -10.645 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.667 -4.377 -9.242 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.083 -2.381 -8.290 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.614 -3.262 -8.503 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.199 -4.091 -7.813 1.00 0.00 H new ATOM 1184 N PRO A 78 -1.272 -4.838 -12.662 1.00 0.00 N ATOM 1185 CA PRO A 78 -1.136 -5.009 -14.112 1.00 0.00 C ATOM 1186 C PRO A 78 0.085 -4.285 -14.669 1.00 0.00 C ATOM 1187 O PRO A 78 0.300 -4.255 -15.881 1.00 0.00 O ATOM 1188 CB PRO A 78 -2.423 -4.390 -14.664 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.845 -3.407 -13.627 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.421 -3.989 -12.307 1.00 0.00 C ATOM 0 HA PRO A 78 -0.997 -6.054 -14.388 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.248 -3.903 -15.623 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.189 -5.148 -14.826 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.376 -2.438 -13.795 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.923 -3.249 -13.655 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.142 -3.211 -11.596 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.222 -4.568 -11.847 1.00 0.00 H new ATOM 1198 N SER A 79 0.881 -3.705 -13.778 1.00 0.00 N ATOM 1199 CA SER A 79 2.079 -2.978 -14.182 1.00 0.00 C ATOM 1200 C SER A 79 3.334 -3.652 -13.634 1.00 0.00 C ATOM 1201 O SER A 79 4.293 -3.892 -14.367 1.00 0.00 O ATOM 1202 CB SER A 79 2.011 -1.529 -13.695 1.00 0.00 C ATOM 1203 OG SER A 79 3.022 -0.741 -14.298 1.00 0.00 O ATOM 0 H SER A 79 0.719 -3.724 -12.771 1.00 0.00 H new ATOM 0 HA SER A 79 2.129 -2.986 -15.271 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.032 -1.110 -13.927 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.121 -1.501 -12.611 1.00 0.00 H new ATOM 0 HG SER A 79 2.956 0.181 -13.972 1.00 0.00 H new ATOM 1209 N ARG A 80 3.318 -3.954 -12.340 1.00 0.00 N ATOM 1210 CA ARG A 80 4.454 -4.599 -11.692 1.00 0.00 C ATOM 1211 C ARG A 80 4.067 -5.126 -10.314 1.00 0.00 C ATOM 1212 O ARG A 80 3.649 -4.365 -9.441 1.00 0.00 O ATOM 1213 CB ARG A 80 5.621 -3.617 -11.565 1.00 0.00 C ATOM 1214 CG ARG A 80 5.309 -2.410 -10.696 1.00 0.00 C ATOM 1215 CD ARG A 80 6.467 -1.425 -10.673 1.00 0.00 C ATOM 1216 NE ARG A 80 6.367 -0.437 -11.744 1.00 0.00 N ATOM 1217 CZ ARG A 80 5.455 0.528 -11.770 1.00 0.00 C ATOM 1218 NH1 ARG A 80 4.570 0.635 -10.788 1.00 0.00 N ATOM 1219 NH2 ARG A 80 5.428 1.390 -12.779 1.00 0.00 N ATOM 0 H ARG A 80 2.531 -3.763 -11.720 1.00 0.00 H new ATOM 0 HA ARG A 80 4.762 -5.442 -12.311 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.482 -4.141 -11.149 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.906 -3.274 -12.560 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.414 -1.912 -11.070 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.090 -2.739 -9.680 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.490 -0.915 -9.710 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.407 -1.968 -10.768 1.00 0.00 H new ATOM 0 HE ARG A 80 7.034 -0.491 -12.514 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.589 -0.025 -10.010 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.871 1.377 -10.810 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.108 1.311 -13.535 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.727 2.131 -12.798 1.00 0.00 H new ATOM 1233 N VAL A 81 4.208 -6.435 -10.125 1.00 0.00 N ATOM 1234 CA VAL A 81 3.874 -7.064 -8.854 1.00 0.00 C ATOM 1235 C VAL A 81 4.920 -6.747 -7.791 1.00 0.00 C ATOM 1236 O VAL A 81 6.088 -7.114 -7.926 1.00 0.00 O ATOM 1237 CB VAL A 81 3.753 -8.593 -8.999 1.00 0.00 C ATOM 1238 CG1 VAL A 81 3.351 -9.225 -7.675 1.00 0.00 C ATOM 1239 CG2 VAL A 81 2.757 -8.947 -10.093 1.00 0.00 C ATOM 0 H VAL A 81 4.551 -7.080 -10.837 1.00 0.00 H new ATOM 0 HA VAL A 81 2.911 -6.658 -8.544 1.00 0.00 H new ATOM 0 HB VAL A 81 4.727 -8.992 -9.283 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.270 -10.305 -7.797 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.105 -9.000 -6.921 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.389 -8.823 -7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.684 -10.031 -10.182 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.779 -8.537 -9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.093 -8.527 -11.041 1.00 0.00 H new ATOM 1249 N ILE A 82 4.493 -6.064 -6.734 1.00 0.00 N ATOM 1250 CA ILE A 82 5.393 -5.698 -5.648 1.00 0.00 C ATOM 1251 C ILE A 82 5.308 -6.701 -4.502 1.00 0.00 C ATOM 1252 O ILE A 82 4.302 -7.393 -4.341 1.00 0.00 O ATOM 1253 CB ILE A 82 5.080 -4.290 -5.107 1.00 0.00 C ATOM 1254 CG1 ILE A 82 5.085 -3.270 -6.246 1.00 0.00 C ATOM 1255 CG2 ILE A 82 6.086 -3.900 -4.034 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.453 -3.047 -6.852 1.00 0.00 C ATOM 0 H ILE A 82 3.530 -5.753 -6.607 1.00 0.00 H new ATOM 0 HA ILE A 82 6.402 -5.704 -6.059 1.00 0.00 H new ATOM 0 HB ILE A 82 4.086 -4.301 -4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.401 -3.605 -7.026 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.702 -2.320 -5.874 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.852 -2.903 -3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.038 -4.615 -3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.090 -3.902 -4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.381 -2.312 -7.653 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.136 -2.682 -6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.830 -3.987 -7.255 1.00 0.00 H new ATOM 1268 N THR A 83 6.370 -6.774 -3.706 1.00 0.00 N ATOM 1269 CA THR A 83 6.416 -7.691 -2.575 1.00 0.00 C ATOM 1270 C THR A 83 6.888 -6.982 -1.310 1.00 0.00 C ATOM 1271 O THR A 83 8.073 -6.682 -1.160 1.00 0.00 O ATOM 1272 CB THR A 83 7.347 -8.886 -2.857 1.00 0.00 C ATOM 1273 OG1 THR A 83 7.053 -9.442 -4.144 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.192 -9.957 -1.788 1.00 0.00 C ATOM 0 H THR A 83 7.210 -6.208 -3.824 1.00 0.00 H new ATOM 0 HA THR A 83 5.401 -8.058 -2.425 1.00 0.00 H new ATOM 0 HB THR A 83 8.377 -8.528 -2.843 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.650 -10.200 -4.317 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.859 -10.790 -2.008 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.444 -9.538 -0.814 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.161 -10.311 -1.775 1.00 0.00 H new ATOM 1282 N LEU A 84 5.954 -6.718 -0.403 1.00 0.00 N ATOM 1283 CA LEU A 84 6.275 -6.044 0.850 1.00 0.00 C ATOM 1284 C LEU A 84 5.882 -6.904 2.047 1.00 0.00 C ATOM 1285 O LEU A 84 4.963 -7.719 1.965 1.00 0.00 O ATOM 1286 CB LEU A 84 5.562 -4.692 0.923 1.00 0.00 C ATOM 1287 CG LEU A 84 5.567 -3.861 -0.360 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.721 -2.609 -0.189 1.00 0.00 C ATOM 1289 CD2 LEU A 84 6.991 -3.494 -0.752 1.00 0.00 C ATOM 0 H LEU A 84 4.969 -6.960 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 84 7.352 -5.881 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.526 -4.865 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.023 -4.103 1.716 1.00 0.00 H new ATOM 0 HG LEU A 84 5.134 -4.461 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.737 -2.030 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.695 -2.892 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.124 -2.006 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.975 -2.903 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.450 -2.913 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.569 -4.403 -0.917 1.00 0.00 H new ATOM 1301 N LYS A 85 6.583 -6.715 3.160 1.00 0.00 N ATOM 1302 CA LYS A 85 6.306 -7.471 4.376 1.00 0.00 C ATOM 1303 C LYS A 85 6.080 -6.534 5.559 1.00 0.00 C ATOM 1304 O LYS A 85 6.774 -5.529 5.708 1.00 0.00 O ATOM 1305 CB LYS A 85 7.462 -8.425 4.682 1.00 0.00 C ATOM 1306 CG LYS A 85 8.666 -7.742 5.307 1.00 0.00 C ATOM 1307 CD LYS A 85 9.851 -8.688 5.414 1.00 0.00 C ATOM 1308 CE LYS A 85 10.737 -8.339 6.601 1.00 0.00 C ATOM 1309 NZ LYS A 85 11.789 -7.350 6.235 1.00 0.00 N ATOM 0 H LYS A 85 7.347 -6.045 3.245 1.00 0.00 H new ATOM 0 HA LYS A 85 5.397 -8.051 4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.109 -9.206 5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.772 -8.915 3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.945 -6.875 4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.403 -7.374 6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.492 -9.712 5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.437 -8.644 4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.123 -7.935 7.406 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.207 -9.245 6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.636 -7.513 6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.033 -7.459 5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.434 -6.387 6.403 1.00 0.00 H new ATOM 1323 N ALA A 86 5.105 -6.872 6.397 1.00 0.00 N ATOM 1324 CA ALA A 86 4.790 -6.063 7.568 1.00 0.00 C ATOM 1325 C ALA A 86 5.553 -6.552 8.794 1.00 0.00 C ATOM 1326 O ALA A 86 6.307 -7.521 8.722 1.00 0.00 O ATOM 1327 CB ALA A 86 3.292 -6.080 7.834 1.00 0.00 C ATOM 0 H ALA A 86 4.520 -7.700 6.287 1.00 0.00 H new ATOM 0 HA ALA A 86 5.100 -5.038 7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.071 -5.472 8.711 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.764 -5.676 6.970 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.966 -7.105 8.012 1.00 0.00 H new ATOM 1333 N ALA A 87 5.352 -5.874 9.920 1.00 0.00 N ATOM 1334 CA ALA A 87 6.020 -6.241 11.162 1.00 0.00 C ATOM 1335 C ALA A 87 5.704 -7.682 11.550 1.00 0.00 C ATOM 1336 O ALA A 87 6.605 -8.511 11.685 1.00 0.00 O ATOM 1337 CB ALA A 87 5.615 -5.291 12.279 1.00 0.00 C ATOM 0 H ALA A 87 4.732 -5.068 9.997 1.00 0.00 H new ATOM 0 HA ALA A 87 7.096 -6.162 11.005 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.121 -5.577 13.201 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.897 -4.273 12.011 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.536 -5.342 12.427 1.00 0.00 H new ATOM 1343 N THR A 88 4.420 -7.974 11.730 1.00 0.00 N ATOM 1344 CA THR A 88 3.986 -9.314 12.104 1.00 0.00 C ATOM 1345 C THR A 88 2.791 -9.759 11.269 1.00 0.00 C ATOM 1346 O THR A 88 2.263 -8.992 10.464 1.00 0.00 O ATOM 1347 CB THR A 88 3.611 -9.387 13.596 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.541 -8.478 13.877 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.810 -9.053 14.472 1.00 0.00 C ATOM 0 H THR A 88 3.662 -7.300 11.623 1.00 0.00 H new ATOM 0 HA THR A 88 4.826 -9.982 11.915 1.00 0.00 H new ATOM 0 HB THR A 88 3.290 -10.405 13.818 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.307 -8.532 14.827 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.521 -9.111 15.521 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.613 -9.764 14.277 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.156 -8.044 14.246 1.00 0.00 H new ATOM 1357 N LYS A 89 2.367 -11.002 11.467 1.00 0.00 N ATOM 1358 CA LYS A 89 1.231 -11.549 10.734 1.00 0.00 C ATOM 1359 C LYS A 89 0.021 -10.626 10.836 1.00 0.00 C ATOM 1360 O LYS A 89 -0.784 -10.540 9.910 1.00 0.00 O ATOM 1361 CB LYS A 89 0.873 -12.938 11.269 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.460 -13.460 10.762 1.00 0.00 C ATOM 1363 CD LYS A 89 -0.369 -13.907 9.312 1.00 0.00 C ATOM 1364 CE LYS A 89 -1.708 -14.413 8.800 1.00 0.00 C ATOM 1365 NZ LYS A 89 -2.792 -13.411 8.998 1.00 0.00 N ATOM 0 H LYS A 89 2.793 -11.650 12.129 1.00 0.00 H new ATOM 0 HA LYS A 89 1.514 -11.632 9.685 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.659 -13.640 10.989 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.850 -12.904 12.358 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.784 -14.296 11.382 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.217 -12.681 10.857 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.033 -13.074 8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.379 -14.695 9.219 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.624 -14.653 7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.969 -15.337 9.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.394 -13.379 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.367 -13.680 9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.373 -12.473 9.160 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.098 -9.938 11.967 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.209 -9.021 12.189 1.00 0.00 C ATOM 1381 C GLN A 90 -0.976 -7.697 11.467 1.00 0.00 C ATOM 1382 O GLN A 90 -1.885 -7.150 10.844 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.402 -8.772 13.686 1.00 0.00 C ATOM 1384 CG GLN A 90 -2.083 -7.449 14.000 1.00 0.00 C ATOM 1385 CD GLN A 90 -2.303 -7.245 15.486 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -1.424 -6.753 16.193 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -3.482 -7.622 15.967 1.00 0.00 N ATOM 0 H GLN A 90 0.561 -9.998 12.743 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.111 -9.480 11.785 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.993 -9.585 14.108 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.430 -8.797 14.178 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.477 -6.631 13.611 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.043 -7.407 13.485 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.182 -8.025 15.344 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.688 -7.508 16.959 1.00 0.00 H new ATOM 1396 N ALA A 91 0.249 -7.189 11.557 1.00 0.00 N ATOM 1397 CA ALA A 91 0.603 -5.931 10.911 1.00 0.00 C ATOM 1398 C ALA A 91 0.079 -5.882 9.479 1.00 0.00 C ATOM 1399 O ALA A 91 -0.576 -4.919 9.081 1.00 0.00 O ATOM 1400 CB ALA A 91 2.111 -5.733 10.930 1.00 0.00 C ATOM 0 H ALA A 91 1.012 -7.629 12.071 1.00 0.00 H new ATOM 0 HA ALA A 91 0.134 -5.121 11.470 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.360 -4.790 10.444 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.462 -5.714 11.962 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.592 -6.553 10.398 1.00 0.00 H new ATOM 1406 N MET A 92 0.372 -6.926 8.711 1.00 0.00 N ATOM 1407 CA MET A 92 -0.070 -7.002 7.323 1.00 0.00 C ATOM 1408 C MET A 92 -1.592 -7.045 7.240 1.00 0.00 C ATOM 1409 O MET A 92 -2.199 -6.363 6.413 1.00 0.00 O ATOM 1410 CB MET A 92 0.526 -8.235 6.642 1.00 0.00 C ATOM 1411 CG MET A 92 0.258 -9.531 7.391 1.00 0.00 C ATOM 1412 SD MET A 92 0.781 -10.988 6.466 1.00 0.00 S ATOM 1413 CE MET A 92 -0.700 -11.992 6.551 1.00 0.00 C ATOM 0 H MET A 92 0.913 -7.731 9.026 1.00 0.00 H new ATOM 0 HA MET A 92 0.279 -6.108 6.807 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.119 -8.316 5.634 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.603 -8.099 6.541 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.778 -9.507 8.349 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.807 -9.607 7.609 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.423 -13.044 6.620 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.280 -11.711 7.430 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.300 -11.832 5.655 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.205 -7.851 8.100 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.657 -7.984 8.123 1.00 0.00 C ATOM 1425 C LEU A 93 -4.329 -6.615 8.142 1.00 0.00 C ATOM 1426 O LEU A 93 -5.403 -6.431 7.569 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.095 -8.796 9.343 1.00 0.00 C ATOM 1428 CG LEU A 93 -3.939 -10.313 9.231 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -4.551 -11.004 10.440 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -4.574 -10.821 7.946 1.00 0.00 C ATOM 0 H LEU A 93 -1.719 -8.422 8.791 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.964 -8.506 7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.523 -8.455 10.206 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.142 -8.573 9.546 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.875 -10.548 9.204 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.430 -12.083 10.342 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.050 -10.663 11.346 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.612 -10.762 10.499 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.453 -11.902 7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.636 -10.574 7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.089 -10.352 7.090 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.689 -5.656 8.802 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.224 -4.303 8.896 1.00 0.00 C ATOM 1444 C TYR A 94 -4.078 -3.567 7.567 1.00 0.00 C ATOM 1445 O TYR A 94 -4.970 -2.825 7.155 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.512 -3.526 10.003 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.752 -2.034 9.947 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -5.026 -1.508 10.121 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.704 -1.150 9.721 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -5.251 -0.146 10.069 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.919 0.214 9.669 1.00 0.00 C ATOM 1452 CZ TYR A 94 -4.194 0.711 9.843 1.00 0.00 C ATOM 1453 OH TYR A 94 -4.413 2.068 9.793 1.00 0.00 O ATOM 0 H TYR A 94 -2.798 -5.791 9.280 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.285 -4.375 9.137 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.844 -3.903 10.971 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.441 -3.716 9.937 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.856 -2.176 10.300 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.705 -1.536 9.584 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.248 0.245 10.204 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -2.093 0.887 9.493 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.565 2.530 9.627 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.948 -3.778 6.903 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.684 -3.135 5.620 1.00 0.00 C ATOM 1465 C TRP A 95 -3.592 -3.698 4.532 1.00 0.00 C ATOM 1466 O TRP A 95 -4.273 -2.950 3.829 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.218 -3.321 5.225 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.326 -2.223 5.720 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.342 -2.183 6.910 1.00 0.00 C ATOM 1470 CD2 TRP A 95 -0.007 -1.005 5.037 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.057 -1.014 7.009 1.00 0.00 N ATOM 1472 CE2 TRP A 95 0.861 -0.275 5.872 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.367 -0.462 3.801 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.370 0.969 5.510 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.139 0.773 3.443 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.000 1.477 4.294 1.00 0.00 C ATOM 0 H TRP A 95 -2.200 -4.389 7.231 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.892 -2.070 5.726 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.862 -4.274 5.617 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.146 -3.376 4.139 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.313 -2.957 7.663 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.639 -0.741 7.801 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.029 -0.998 3.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.033 1.514 6.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.134 1.203 2.491 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.380 2.440 3.985 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.598 -5.020 4.398 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.424 -5.683 3.395 1.00 0.00 C ATOM 1489 C LEU A 96 -5.884 -5.263 3.527 1.00 0.00 C ATOM 1490 O LEU A 96 -6.556 -5.000 2.530 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.304 -7.202 3.531 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.882 -7.760 3.596 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.909 -9.269 3.785 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -2.107 -7.393 2.339 1.00 0.00 C ATOM 0 H LEU A 96 -3.040 -5.653 4.971 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.067 -5.383 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.835 -7.509 4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.816 -7.664 2.687 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.377 -7.315 4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.888 -9.648 3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.426 -9.510 4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.432 -9.731 2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.097 -7.798 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.611 -7.809 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.057 -6.308 2.246 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.367 -5.200 4.763 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.747 -4.810 5.025 1.00 0.00 C ATOM 1508 C GLN A 97 -7.985 -3.354 4.635 1.00 0.00 C ATOM 1509 O GLN A 97 -8.777 -3.064 3.739 1.00 0.00 O ATOM 1510 CB GLN A 97 -8.087 -5.016 6.502 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.466 -4.504 6.886 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.583 -5.378 6.351 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.345 -6.487 5.874 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.812 -4.881 6.429 1.00 0.00 N ATOM 0 H GLN A 97 -5.823 -5.414 5.599 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.397 -5.441 4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.025 -6.079 6.736 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.338 -4.511 7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.540 -4.451 7.972 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.591 -3.489 6.508 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.964 -3.956 6.832 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.604 -5.424 6.086 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.294 -2.445 5.314 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.431 -1.019 5.038 1.00 0.00 C ATOM 1525 C GLN A 98 -7.163 -0.721 3.567 1.00 0.00 C ATOM 1526 O GLN A 98 -8.021 -0.182 2.866 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.472 -0.214 5.917 1.00 0.00 C ATOM 1528 CG GLN A 98 -7.001 0.041 7.319 1.00 0.00 C ATOM 1529 CD GLN A 98 -8.421 0.571 7.320 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -9.392 -0.335 7.320 1.00 0.00 O flip ATOM 1531 NE2 GLN A 98 -8.644 1.783 7.320 1.00 0.00 N flip ATOM 0 H GLN A 98 -6.634 -2.669 6.059 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.456 -0.727 5.268 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.523 -0.746 5.987 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.267 0.742 5.436 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.963 -0.886 7.892 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.351 0.755 7.824 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.868 2.444 7.320 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.605 2.125 7.320 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.969 -1.075 3.105 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.588 -0.844 1.715 1.00 0.00 C ATOM 1542 C LEU A 99 -6.795 -0.969 0.792 1.00 0.00 C ATOM 1543 O LEU A 99 -6.938 -0.206 -0.163 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.503 -1.837 1.293 1.00 0.00 C ATOM 1545 CG LEU A 99 -3.081 -1.513 1.754 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -2.133 -2.648 1.398 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.605 -0.206 1.138 1.00 0.00 C ATOM 0 H LEU A 99 -5.248 -1.523 3.671 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.196 0.170 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.772 -2.822 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.504 -1.905 0.205 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.088 -1.399 2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.126 -2.400 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.463 -3.565 1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.130 -2.794 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.592 0.008 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.613 -0.292 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.269 0.603 1.443 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.660 -1.935 1.084 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.856 -2.158 0.280 1.00 0.00 C ATOM 1561 C GLN A 100 -9.851 -1.016 0.456 1.00 0.00 C ATOM 1562 O GLN A 100 -10.358 -0.465 -0.520 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.512 -3.486 0.661 1.00 0.00 C ATOM 1564 CG GLN A 100 -9.007 -4.669 -0.150 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.868 -5.905 0.023 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -10.967 -5.991 -0.526 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -9.372 -6.870 0.787 1.00 0.00 N ATOM 0 H GLN A 100 -7.555 -2.575 1.871 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.557 -2.196 -0.768 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.334 -3.679 1.719 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.591 -3.400 0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.978 -4.396 -1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.984 -4.899 0.148 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.457 -6.756 1.222 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.906 -7.726 0.939 1.00 0.00 H new ATOM 1576 N MET A 101 -10.127 -0.667 1.709 1.00 0.00 N ATOM 1577 CA MET A 101 -11.062 0.410 2.013 1.00 0.00 C ATOM 1578 C MET A 101 -10.948 1.535 0.988 1.00 0.00 C ATOM 1579 O MET A 101 -11.943 1.953 0.396 1.00 0.00 O ATOM 1580 CB MET A 101 -10.804 0.957 3.418 1.00 0.00 C ATOM 1581 CG MET A 101 -11.492 0.161 4.515 1.00 0.00 C ATOM 1582 SD MET A 101 -11.008 -1.576 4.520 1.00 0.00 S ATOM 1583 CE MET A 101 -12.434 -2.327 3.738 1.00 0.00 C ATOM 0 H MET A 101 -9.717 -1.114 2.529 1.00 0.00 H new ATOM 0 HA MET A 101 -12.072 0.003 1.969 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.730 0.965 3.605 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.143 1.992 3.464 1.00 0.00 H new ATOM 0 HG2 MET A 101 -11.255 0.603 5.483 1.00 0.00 H new ATOM 0 HG3 MET A 101 -12.572 0.233 4.388 1.00 0.00 H new ATOM 0 HE1 MET A 101 -12.453 -3.393 3.963 1.00 0.00 H new ATOM 0 HE2 MET A 101 -13.344 -1.860 4.115 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.374 -2.185 2.659 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.728 2.021 0.783 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.483 3.096 -0.170 1.00 0.00 C ATOM 1595 C LYS A 102 -9.990 2.719 -1.558 1.00 0.00 C ATOM 1596 O LYS A 102 -10.796 3.437 -2.151 1.00 0.00 O ATOM 1597 CB LYS A 102 -7.988 3.419 -0.232 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.366 3.687 1.128 1.00 0.00 C ATOM 1599 CD LYS A 102 -7.924 4.953 1.756 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.183 5.314 3.035 1.00 0.00 C ATOM 1601 NZ LYS A 102 -7.801 4.680 4.232 1.00 0.00 N ATOM 0 H LYS A 102 -8.893 1.687 1.265 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.026 3.979 0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.465 2.587 -0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.840 4.291 -0.868 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.552 2.840 1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.285 3.778 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.849 5.776 1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.983 4.816 1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.143 4.999 2.953 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.179 6.397 3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.267 4.950 5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.786 5.000 4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.782 3.646 4.126 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.514 1.589 -2.070 1.00 0.00 N ATOM 1616 CA ARG A 103 -9.920 1.117 -3.388 1.00 0.00 C ATOM 1617 C ARG A 103 -11.397 0.734 -3.398 1.00 0.00 C ATOM 1618 O ARG A 103 -12.211 1.378 -4.060 1.00 0.00 O ATOM 1619 CB ARG A 103 -9.069 -0.083 -3.809 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.622 -0.831 -5.011 1.00 0.00 C ATOM 1621 CD ARG A 103 -9.015 -2.220 -5.130 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.914 -3.154 -5.802 1.00 0.00 N ATOM 1623 CZ ARG A 103 -10.932 -3.757 -5.198 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -11.180 -3.523 -3.916 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -11.706 -4.594 -5.876 1.00 0.00 N ATOM 0 H ARG A 103 -8.847 0.983 -1.592 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.768 1.929 -4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.060 0.260 -4.038 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.988 -0.773 -2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.705 -0.912 -4.923 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.417 -0.264 -5.919 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.077 -2.160 -5.681 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.777 -2.598 -4.136 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.752 -3.354 -6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -10.588 -2.879 -3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -11.962 -3.987 -3.455 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.520 -4.775 -6.862 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -12.487 -5.056 -5.411 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.735 -0.317 -2.659 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.114 -0.785 -2.583 1.00 0.00 C ATOM 1641 C TRP A 104 -14.089 0.388 -2.584 1.00 0.00 C ATOM 1642 O TRP A 104 -15.111 0.355 -3.269 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.318 -1.632 -1.325 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.733 -1.631 -0.831 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.741 -2.461 -1.230 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.297 -0.756 0.153 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -16.898 -2.155 -0.554 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.651 -1.114 0.301 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -14.788 0.292 0.924 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.501 -0.458 1.188 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -15.633 0.942 1.804 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -16.977 0.565 1.930 1.00 0.00 C ATOM 0 H TRP A 104 -11.074 -0.861 -2.105 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.312 -1.398 -3.462 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -13.014 -2.658 -1.533 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.665 -1.260 -0.536 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.644 -3.243 -1.968 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.795 -2.627 -0.670 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.753 0.589 0.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.537 -0.747 1.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.251 1.754 2.405 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.612 1.093 2.627 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.765 1.422 -1.814 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.614 2.604 -1.728 1.00 0.00 C ATOM 1665 C GLU A 105 -14.893 3.176 -3.115 1.00 0.00 C ATOM 1666 O GLU A 105 -16.035 3.491 -3.450 1.00 0.00 O ATOM 1667 CB GLU A 105 -13.955 3.669 -0.849 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.322 3.557 0.621 1.00 0.00 C ATOM 1669 CD GLU A 105 -13.649 4.616 1.473 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -13.950 5.813 1.280 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -12.822 4.248 2.333 1.00 0.00 O ATOM 0 H GLU A 105 -12.922 1.465 -1.242 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.562 2.307 -1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.872 3.594 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.241 4.656 -1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.403 3.642 0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.042 2.569 0.987 1.00 0.00 H new ATOM 1678 N PHE A 106 -13.842 3.307 -3.917 1.00 0.00 N ATOM 1679 CA PHE A 106 -13.973 3.842 -5.267 1.00 0.00 C ATOM 1680 C PHE A 106 -14.983 3.034 -6.077 1.00 0.00 C ATOM 1681 O PHE A 106 -15.829 3.596 -6.773 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.616 3.838 -5.974 1.00 0.00 C ATOM 1683 CG PHE A 106 -12.720 3.810 -7.472 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -12.969 4.972 -8.185 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.570 2.621 -8.168 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -13.065 4.950 -9.563 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.665 2.593 -9.547 1.00 0.00 C ATOM 1688 CZ PHE A 106 -12.914 3.758 -10.245 1.00 0.00 C ATOM 0 H PHE A 106 -12.890 3.050 -3.656 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.332 4.868 -5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -12.056 4.724 -5.673 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -12.045 2.971 -5.641 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -13.089 5.906 -7.657 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -12.377 1.706 -7.627 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -13.258 5.863 -10.106 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -12.545 1.660 -10.078 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.991 3.737 -11.322 1.00 0.00 H new ATOM 1698 N HIS A 107 -14.888 1.712 -5.980 1.00 0.00 N ATOM 1699 CA HIS A 107 -15.793 0.826 -6.703 1.00 0.00 C ATOM 1700 C HIS A 107 -17.240 1.068 -6.285 1.00 0.00 C ATOM 1701 O HIS A 107 -18.127 1.197 -7.129 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.417 -0.635 -6.455 1.00 0.00 C ATOM 1703 CG HIS A 107 -14.146 -1.049 -7.130 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -13.994 -1.073 -8.500 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -12.962 -1.456 -6.615 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.773 -1.478 -8.799 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -12.126 -1.716 -7.673 1.00 0.00 N ATOM 0 H HIS A 107 -14.194 1.231 -5.408 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.699 1.042 -7.767 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.319 -0.799 -5.382 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -16.228 -1.274 -6.803 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -14.713 -0.818 -9.177 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.720 -1.557 -5.567 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.372 -1.595 -9.795 1.00 0.00 H new