USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 525 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 ASN : amide:sc= 0.489 K(o=0.94,f=0.029) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.447 USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.07 (180deg=1.07) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -162:sc= -2! (180deg=-3.58!) USER MOD Single : A 34 LYS NZ :NH3+ -118:sc= 0.684 (180deg=-1.09!) USER MOD Single : A 35 ASN : amide:sc= 0.806 K(o=0.81,f=0) USER MOD Single : A 40 CYS SG : rot 22:sc= -0.105 USER MOD Single : A 41 SER OG : rot 107:sc= 0.443 USER MOD Single : A 43 GLN : amide:sc= 0.536 K(o=0.54,f=-5!) USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 0.119 (180deg=-0.0671) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.0478 F(o=-0.66,f=-0.048) USER MOD Single : A 53 SER OG : rot 140:sc= 1.23 USER MOD Single : A 56 THR OG1 : rot 120:sc= -0.377 USER MOD Single : A 57 THR OG1 : rot 150:sc= 1.06 USER MOD Single : A 59 SER OG : rot -174:sc= -0.561 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.479 K(o=0.48,f=-6.8!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 27 4.570 15.462 5.009 1.00 0.00 N ATOM 26 CA LYS A 27 3.618 14.602 5.727 1.00 0.00 C ATOM 27 C LYS A 27 4.286 13.435 6.408 1.00 0.00 C ATOM 28 O LYS A 27 5.308 12.909 5.959 1.00 0.00 O ATOM 29 CB LYS A 27 2.637 13.975 4.711 1.00 0.00 C ATOM 30 CG LYS A 27 1.460 13.158 5.271 1.00 0.00 C ATOM 31 CD LYS A 27 0.534 14.006 6.143 1.00 0.00 C ATOM 32 CE LYS A 27 -0.781 13.278 6.423 1.00 0.00 C ATOM 33 NZ LYS A 27 -1.880 14.249 6.639 1.00 0.00 N ATOM 0 HA LYS A 27 3.132 15.237 6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.227 14.779 4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.209 13.328 4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.890 12.732 4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.845 12.323 5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.031 14.241 7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.329 14.954 5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.026 12.624 5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.671 12.643 7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.761 13.736 6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.644 14.867 7.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.007 14.826 5.783 1.00 0.00 H new ATOM 47 N ARG A 28 3.603 12.971 7.442 1.00 0.00 N ATOM 48 CA ARG A 28 3.809 11.661 8.014 1.00 0.00 C ATOM 49 C ARG A 28 2.453 10.977 8.156 1.00 0.00 C ATOM 50 O ARG A 28 1.499 11.534 8.693 1.00 0.00 O ATOM 51 CB ARG A 28 4.532 11.777 9.364 1.00 0.00 C ATOM 52 CG ARG A 28 5.843 12.582 9.370 1.00 0.00 C ATOM 53 CD ARG A 28 7.101 11.817 8.934 1.00 0.00 C ATOM 54 NE ARG A 28 6.943 11.235 7.589 1.00 0.00 N ATOM 55 CZ ARG A 28 7.267 10.022 7.189 1.00 0.00 C ATOM 56 NH1 ARG A 28 7.934 9.178 7.924 1.00 0.00 N ATOM 57 NH2 ARG A 28 6.891 9.622 6.017 1.00 0.00 N ATOM 0 H ARG A 28 2.876 13.510 7.913 1.00 0.00 H new ATOM 0 HA ARG A 28 4.442 11.058 7.364 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.848 12.232 10.080 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.747 10.771 9.724 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.720 13.444 8.715 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.006 12.967 10.377 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.958 12.491 8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.313 11.024 9.652 1.00 0.00 H new ATOM 0 HE ARG A 28 6.533 11.845 6.882 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.233 9.444 8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.157 8.251 7.561 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.351 10.243 5.415 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.135 8.685 5.695 1.00 0.00 H new ATOM 71 N TYR A 29 2.386 9.792 7.571 1.00 0.00 N ATOM 72 CA TYR A 29 1.198 8.950 7.449 1.00 0.00 C ATOM 73 C TYR A 29 1.612 7.476 7.419 1.00 0.00 C ATOM 74 O TYR A 29 2.786 7.152 7.243 1.00 0.00 O ATOM 75 CB TYR A 29 0.401 9.295 6.161 1.00 0.00 C ATOM 76 CG TYR A 29 0.928 8.729 4.852 1.00 0.00 C ATOM 77 CD1 TYR A 29 0.666 7.380 4.523 1.00 0.00 C ATOM 78 CD2 TYR A 29 1.587 9.542 3.902 1.00 0.00 C ATOM 79 CE1 TYR A 29 1.144 6.808 3.334 1.00 0.00 C ATOM 80 CE2 TYR A 29 1.949 9.002 2.664 1.00 0.00 C ATOM 81 CZ TYR A 29 1.746 7.630 2.375 1.00 0.00 C ATOM 82 OH TYR A 29 2.009 7.089 1.158 1.00 0.00 O ATOM 0 H TYR A 29 3.206 9.363 7.142 1.00 0.00 H new ATOM 0 HA TYR A 29 0.556 9.135 8.310 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.623 8.947 6.293 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.359 10.380 6.069 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.084 6.775 5.203 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.810 10.574 4.131 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.048 5.746 3.161 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.391 9.642 1.915 1.00 0.00 H new ATOM 0 HH TYR A 29 1.349 6.392 0.960 1.00 0.00 H new ATOM 92 N ARG A 30 0.627 6.585 7.527 1.00 0.00 N ATOM 93 CA ARG A 30 0.747 5.154 7.218 1.00 0.00 C ATOM 94 C ARG A 30 -0.633 4.669 6.769 1.00 0.00 C ATOM 95 O ARG A 30 -1.647 5.092 7.335 1.00 0.00 O ATOM 96 CB ARG A 30 1.339 4.455 8.442 1.00 0.00 C ATOM 97 CG ARG A 30 1.587 2.940 8.362 1.00 0.00 C ATOM 98 CD ARG A 30 0.351 2.060 8.590 1.00 0.00 C ATOM 99 NE ARG A 30 -0.334 2.148 9.905 1.00 0.00 N ATOM 100 CZ ARG A 30 -0.059 2.744 11.059 1.00 0.00 C ATOM 101 NH1 ARG A 30 1.068 3.297 11.393 1.00 0.00 N ATOM 102 NH2 ARG A 30 -0.995 2.819 11.947 1.00 0.00 N ATOM 0 H ARG A 30 -0.308 6.844 7.842 1.00 0.00 H new ATOM 0 HA ARG A 30 1.428 4.926 6.398 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.289 4.936 8.674 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.674 4.640 9.286 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.002 2.708 7.381 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.344 2.673 9.100 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.378 2.302 7.817 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.647 1.022 8.436 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.215 1.634 9.926 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.849 3.299 10.737 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.172 3.729 12.311 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.916 2.426 11.752 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.813 3.271 12.843 1.00 0.00 H new ATOM 116 N ILE A 31 -0.679 3.829 5.742 1.00 0.00 N ATOM 117 CA ILE A 31 -1.912 3.221 5.214 1.00 0.00 C ATOM 118 C ILE A 31 -1.857 1.716 5.321 1.00 0.00 C ATOM 119 O ILE A 31 -0.777 1.151 5.263 1.00 0.00 O ATOM 120 CB ILE A 31 -2.190 3.584 3.743 1.00 0.00 C ATOM 121 CG1 ILE A 31 -1.146 3.021 2.766 1.00 0.00 C ATOM 122 CG2 ILE A 31 -2.287 5.098 3.549 1.00 0.00 C ATOM 123 CD1 ILE A 31 -1.533 3.213 1.301 1.00 0.00 C ATOM 0 H ILE A 31 0.157 3.539 5.235 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.718 3.626 5.825 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.148 3.118 3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.187 3.506 2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.008 1.958 2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.484 5.319 2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.098 5.492 4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.348 5.564 3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.756 2.795 0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.477 2.705 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.643 4.277 1.090 1.00 0.00 H new ATOM 135 N THR A 32 -3.027 1.101 5.392 1.00 0.00 N ATOM 136 CA THR A 32 -3.283 -0.339 5.296 1.00 0.00 C ATOM 137 C THR A 32 -3.699 -0.645 3.876 1.00 0.00 C ATOM 138 O THR A 32 -4.469 0.093 3.259 1.00 0.00 O ATOM 139 CB THR A 32 -4.399 -0.709 6.258 1.00 0.00 C ATOM 140 OG1 THR A 32 -3.903 -0.572 7.569 1.00 0.00 O ATOM 141 CG2 THR A 32 -4.896 -2.147 6.129 1.00 0.00 C ATOM 0 H THR A 32 -3.889 1.628 5.528 1.00 0.00 H new ATOM 0 HA THR A 32 -2.392 -0.911 5.553 1.00 0.00 H new ATOM 0 HB THR A 32 -5.235 -0.049 6.024 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.606 -0.804 8.211 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.691 -2.323 6.853 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.279 -2.311 5.122 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.073 -2.835 6.320 1.00 0.00 H new ATOM 149 N MET A 33 -3.186 -1.769 3.377 1.00 0.00 N ATOM 150 CA MET A 33 -3.568 -2.387 2.128 1.00 0.00 C ATOM 151 C MET A 33 -3.720 -3.878 2.363 1.00 0.00 C ATOM 152 O MET A 33 -2.776 -4.592 2.688 1.00 0.00 O ATOM 153 CB MET A 33 -2.563 -2.072 1.019 1.00 0.00 C ATOM 154 CG MET A 33 -2.166 -0.590 0.972 1.00 0.00 C ATOM 155 SD MET A 33 -1.506 0.061 -0.579 1.00 0.00 S ATOM 156 CE MET A 33 -0.667 -1.425 -1.148 1.00 0.00 C ATOM 0 H MET A 33 -2.458 -2.291 3.864 1.00 0.00 H new ATOM 0 HA MET A 33 -4.521 -1.982 1.787 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.668 -2.678 1.164 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.989 -2.359 0.058 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.044 -0.000 1.235 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.422 -0.418 1.750 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.061 -1.161 -1.915 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.156 -1.898 -0.310 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.398 -2.118 -1.565 1.00 0.00 H new ATOM 166 N LYS A 34 -4.952 -4.340 2.249 1.00 0.00 N ATOM 167 CA LYS A 34 -5.386 -5.588 2.859 1.00 0.00 C ATOM 168 C LYS A 34 -6.683 -6.042 2.257 1.00 0.00 C ATOM 169 O LYS A 34 -7.435 -5.210 1.767 1.00 0.00 O ATOM 170 CB LYS A 34 -5.705 -5.071 4.269 1.00 0.00 C ATOM 171 CG LYS A 34 -6.654 -5.759 5.232 1.00 0.00 C ATOM 172 CD LYS A 34 -8.126 -5.303 5.036 1.00 0.00 C ATOM 173 CE LYS A 34 -8.398 -3.842 5.464 1.00 0.00 C ATOM 174 NZ LYS A 34 -8.575 -2.941 4.289 1.00 0.00 N ATOM 0 H LYS A 34 -5.685 -3.859 1.728 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.674 -6.408 2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.749 -4.993 4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.083 -4.056 4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.589 -6.838 5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.344 -5.549 6.256 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.394 -5.418 3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.779 -5.964 5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.292 -3.807 6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.570 -3.483 6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.831 -2.215 4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.511 -3.497 3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.507 -2.482 4.341 1.00 0.00 H new ATOM 188 N ASN A 35 -7.013 -7.307 2.426 1.00 0.00 N ATOM 189 CA ASN A 35 -8.382 -7.772 2.217 1.00 0.00 C ATOM 190 C ASN A 35 -8.539 -9.215 2.762 1.00 0.00 C ATOM 191 O ASN A 35 -7.544 -9.873 3.058 1.00 0.00 O ATOM 192 CB ASN A 35 -8.801 -7.500 0.745 1.00 0.00 C ATOM 193 CG ASN A 35 -9.855 -8.399 0.132 1.00 0.00 C ATOM 194 OD1 ASN A 35 -10.965 -8.529 0.623 1.00 0.00 O ATOM 195 ND2 ASN A 35 -9.544 -9.026 -0.975 1.00 0.00 N ATOM 0 H ASN A 35 -6.357 -8.036 2.707 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.111 -7.209 2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.160 -6.473 0.684 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.906 -7.562 0.125 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.231 -9.627 -1.431 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.615 -8.914 -1.381 1.00 0.00 H new ATOM 257 N CYS A 40 -0.463 -10.082 1.444 1.00 0.00 N ATOM 258 CA CYS A 40 0.678 -9.793 0.570 1.00 0.00 C ATOM 259 C CYS A 40 2.072 -10.075 1.187 1.00 0.00 C ATOM 260 O CYS A 40 2.211 -10.675 2.256 1.00 0.00 O ATOM 261 CB CYS A 40 0.562 -8.341 0.076 1.00 0.00 C ATOM 262 SG CYS A 40 -1.114 -7.846 -0.428 1.00 0.00 S ATOM 0 HA CYS A 40 0.622 -10.493 -0.264 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.901 -7.673 0.868 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.237 -8.203 -0.769 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.985 -8.630 0.134 1.00 0.00 H new ATOM 268 N SER A 41 3.107 -9.597 0.492 1.00 0.00 N ATOM 269 CA SER A 41 4.516 -9.511 0.905 1.00 0.00 C ATOM 270 C SER A 41 5.041 -8.128 0.503 1.00 0.00 C ATOM 271 O SER A 41 4.469 -7.525 -0.407 1.00 0.00 O ATOM 272 CB SER A 41 5.378 -10.584 0.230 1.00 0.00 C ATOM 273 OG SER A 41 4.765 -11.860 0.208 1.00 0.00 O ATOM 0 H SER A 41 2.974 -9.230 -0.450 1.00 0.00 H new ATOM 0 HA SER A 41 4.574 -9.668 1.982 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.596 -10.275 -0.792 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.332 -10.656 0.752 1.00 0.00 H new ATOM 0 HG SER A 41 4.470 -12.065 -0.704 1.00 0.00 H new ATOM 279 N TRP A 42 6.111 -7.591 1.112 1.00 0.00 N ATOM 280 CA TRP A 42 6.564 -6.251 0.699 1.00 0.00 C ATOM 281 C TRP A 42 7.037 -6.240 -0.747 1.00 0.00 C ATOM 282 O TRP A 42 6.607 -5.420 -1.550 1.00 0.00 O ATOM 283 CB TRP A 42 7.639 -5.638 1.597 1.00 0.00 C ATOM 284 CG TRP A 42 8.077 -4.251 1.187 1.00 0.00 C ATOM 285 CD1 TRP A 42 9.326 -3.753 1.340 1.00 0.00 C ATOM 286 CD2 TRP A 42 7.333 -3.210 0.457 1.00 0.00 C ATOM 287 NE1 TRP A 42 9.417 -2.510 0.734 1.00 0.00 N ATOM 288 CE2 TRP A 42 8.232 -2.149 0.132 1.00 0.00 C ATOM 289 CE3 TRP A 42 6.002 -3.064 -0.003 1.00 0.00 C ATOM 290 CZ2 TRP A 42 7.846 -1.049 -0.649 1.00 0.00 C ATOM 291 CZ3 TRP A 42 5.616 -1.996 -0.805 1.00 0.00 C ATOM 292 CH2 TRP A 42 6.526 -0.991 -1.135 1.00 0.00 C ATOM 0 H TRP A 42 6.654 -8.034 1.853 1.00 0.00 H new ATOM 0 HA TRP A 42 5.679 -5.623 0.803 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.263 -5.600 2.619 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.509 -6.294 1.602 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.133 -4.251 1.858 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.258 -1.933 0.734 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.266 -3.803 0.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.549 -0.261 -0.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.603 -1.944 -1.176 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.218 -0.169 -1.763 1.00 0.00 H new ATOM 303 N GLN A 43 7.836 -7.231 -1.119 1.00 0.00 N ATOM 304 CA GLN A 43 8.290 -7.418 -2.491 1.00 0.00 C ATOM 305 C GLN A 43 7.165 -7.422 -3.531 1.00 0.00 C ATOM 306 O GLN A 43 7.265 -6.804 -4.604 1.00 0.00 O ATOM 307 CB GLN A 43 9.211 -8.657 -2.569 1.00 0.00 C ATOM 308 CG GLN A 43 8.711 -9.937 -1.849 1.00 0.00 C ATOM 309 CD GLN A 43 9.166 -10.056 -0.394 1.00 0.00 C ATOM 310 OE1 GLN A 43 8.630 -9.420 0.493 1.00 0.00 O ATOM 311 NE2 GLN A 43 10.147 -10.879 -0.096 1.00 0.00 N ATOM 0 H GLN A 43 8.191 -7.934 -0.471 1.00 0.00 H new ATOM 0 HA GLN A 43 8.875 -6.540 -2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 43 9.371 -8.897 -3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.181 -8.388 -2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.622 -9.956 -1.880 1.00 0.00 H new ATOM 0 HG3 GLN A 43 9.061 -10.810 -2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.603 -11.417 -0.833 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.452 -10.980 0.872 1.00 0.00 H new ATOM 320 N ASP A 44 6.048 -8.021 -3.147 1.00 0.00 N ATOM 321 CA ASP A 44 4.882 -8.189 -3.983 1.00 0.00 C ATOM 322 C ASP A 44 4.116 -6.869 -4.116 1.00 0.00 C ATOM 323 O ASP A 44 3.738 -6.462 -5.216 1.00 0.00 O ATOM 324 CB ASP A 44 4.034 -9.280 -3.329 1.00 0.00 C ATOM 325 CG ASP A 44 4.546 -10.720 -3.528 1.00 0.00 C ATOM 326 OD1 ASP A 44 5.234 -11.013 -4.530 1.00 0.00 O ATOM 327 OD2 ASP A 44 4.227 -11.577 -2.665 1.00 0.00 O ATOM 0 H ASP A 44 5.930 -8.414 -2.213 1.00 0.00 H new ATOM 0 HA ASP A 44 5.155 -8.480 -4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.973 -9.078 -2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.020 -9.215 -3.724 1.00 0.00 H new ATOM 332 N LEU A 45 3.928 -6.165 -2.999 1.00 0.00 N ATOM 333 CA LEU A 45 3.244 -4.881 -2.958 1.00 0.00 C ATOM 334 C LEU A 45 4.032 -3.723 -3.541 1.00 0.00 C ATOM 335 O LEU A 45 3.416 -2.807 -4.073 1.00 0.00 O ATOM 336 CB LEU A 45 2.907 -4.570 -1.514 1.00 0.00 C ATOM 337 CG LEU A 45 1.559 -5.160 -1.125 1.00 0.00 C ATOM 338 CD1 LEU A 45 1.364 -4.755 0.309 1.00 0.00 C ATOM 339 CD2 LEU A 45 0.376 -4.625 -1.943 1.00 0.00 C ATOM 0 H LEU A 45 4.254 -6.480 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 45 2.357 -4.981 -3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.684 -4.970 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.891 -3.490 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 45 1.575 -6.235 -1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.411 -5.142 0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.173 -5.162 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.366 -3.668 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.545 -5.097 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.301 -3.546 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.531 -4.852 -2.998 1.00 0.00 H new ATOM 351 N LYS A 46 5.363 -3.763 -3.464 1.00 0.00 N ATOM 352 CA LYS A 46 6.264 -2.897 -4.228 1.00 0.00 C ATOM 353 C LYS A 46 5.928 -3.136 -5.662 1.00 0.00 C ATOM 354 O LYS A 46 5.542 -2.186 -6.323 1.00 0.00 O ATOM 355 CB LYS A 46 7.705 -3.268 -3.899 1.00 0.00 C ATOM 356 CG LYS A 46 8.743 -2.542 -4.774 1.00 0.00 C ATOM 357 CD LYS A 46 10.037 -3.358 -4.764 1.00 0.00 C ATOM 358 CE LYS A 46 10.246 -4.297 -5.970 1.00 0.00 C ATOM 359 NZ LYS A 46 9.103 -5.210 -6.246 1.00 0.00 N ATOM 0 H LYS A 46 5.857 -4.414 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 46 6.152 -1.839 -3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.901 -3.038 -2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.831 -4.344 -4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.371 -2.433 -5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.925 -1.537 -4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.879 -2.668 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.060 -3.956 -3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.434 -3.692 -6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.140 -4.896 -5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.386 -5.916 -6.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.825 -5.693 -5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.298 -4.659 -6.608 1.00 0.00 H new ATOM 373 N ASP A 47 5.993 -4.389 -6.113 1.00 0.00 N ATOM 374 CA ASP A 47 5.673 -4.705 -7.501 1.00 0.00 C ATOM 375 C ASP A 47 4.340 -4.112 -7.948 1.00 0.00 C ATOM 376 O ASP A 47 4.337 -3.332 -8.893 1.00 0.00 O ATOM 377 CB ASP A 47 5.739 -6.220 -7.752 1.00 0.00 C ATOM 378 CG ASP A 47 6.784 -6.592 -8.806 1.00 0.00 C ATOM 379 OD1 ASP A 47 7.984 -6.299 -8.586 1.00 0.00 O ATOM 380 OD2 ASP A 47 6.398 -7.182 -9.848 1.00 0.00 O ATOM 0 H ASP A 47 6.261 -5.192 -5.544 1.00 0.00 H new ATOM 0 HA ASP A 47 6.436 -4.230 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.972 -6.730 -6.818 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.760 -6.575 -8.074 1.00 0.00 H new ATOM 385 N LEU A 48 3.255 -4.352 -7.197 1.00 0.00 N ATOM 386 CA LEU A 48 1.984 -3.697 -7.498 1.00 0.00 C ATOM 387 C LEU A 48 2.097 -2.178 -7.490 1.00 0.00 C ATOM 388 O LEU A 48 1.649 -1.529 -8.426 1.00 0.00 O ATOM 389 CB LEU A 48 0.820 -4.207 -6.638 1.00 0.00 C ATOM 390 CG LEU A 48 -0.521 -3.563 -7.066 1.00 0.00 C ATOM 391 CD1 LEU A 48 -1.716 -4.400 -6.649 1.00 0.00 C ATOM 392 CD2 LEU A 48 -0.752 -2.214 -6.432 1.00 0.00 C ATOM 0 H LEU A 48 3.235 -4.982 -6.395 1.00 0.00 H new ATOM 0 HA LEU A 48 1.738 -3.984 -8.520 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.749 -5.291 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.015 -3.983 -5.589 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.438 -3.481 -8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.634 -3.909 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.650 -5.385 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.723 -4.509 -5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.707 -1.812 -6.770 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.766 -2.319 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.050 -1.534 -6.721 1.00 0.00 H new ATOM 404 N ALA A 49 2.683 -1.570 -6.475 1.00 0.00 N ATOM 405 CA ALA A 49 2.848 -0.129 -6.432 1.00 0.00 C ATOM 406 C ALA A 49 3.504 0.434 -7.704 1.00 0.00 C ATOM 407 O ALA A 49 3.044 1.458 -8.219 1.00 0.00 O ATOM 408 CB ALA A 49 3.641 0.198 -5.171 1.00 0.00 C ATOM 0 H ALA A 49 3.056 -2.058 -5.661 1.00 0.00 H new ATOM 0 HA ALA A 49 1.872 0.355 -6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.787 1.276 -5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.093 -0.151 -4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.611 -0.297 -5.213 1.00 0.00 H new ATOM 414 N ARG A 50 4.498 -0.279 -8.256 1.00 0.00 N ATOM 415 CA ARG A 50 5.155 0.079 -9.524 1.00 0.00 C ATOM 416 C ARG A 50 4.244 -0.195 -10.740 1.00 0.00 C ATOM 417 O ARG A 50 4.338 0.514 -11.740 1.00 0.00 O ATOM 418 CB ARG A 50 6.537 -0.584 -9.689 1.00 0.00 C ATOM 419 CG ARG A 50 7.323 -0.894 -8.406 1.00 0.00 C ATOM 420 CD ARG A 50 7.419 0.162 -7.294 1.00 0.00 C ATOM 421 NE ARG A 50 8.661 0.957 -7.413 1.00 0.00 N ATOM 422 CZ ARG A 50 8.817 2.223 -7.765 1.00 0.00 C ATOM 423 NH1 ARG A 50 7.846 3.060 -7.972 1.00 0.00 N ATOM 424 NH2 ARG A 50 10.004 2.726 -7.932 1.00 0.00 N ATOM 0 H ARG A 50 4.872 -1.128 -7.832 1.00 0.00 H new ATOM 0 HA ARG A 50 5.332 1.154 -9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.401 -1.517 -10.236 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.151 0.065 -10.313 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.886 -1.790 -7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.341 -1.148 -8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.555 0.824 -7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.390 -0.328 -6.321 1.00 0.00 H new ATOM 0 HE ARG A 50 9.522 0.457 -7.192 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.878 2.755 -7.865 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.051 4.022 -8.242 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.829 2.143 -7.792 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.110 3.703 -8.203 1.00 0.00 H new ATOM 438 N GLU A 51 3.333 -1.177 -10.642 1.00 0.00 N ATOM 439 CA GLU A 51 2.231 -1.408 -11.616 1.00 0.00 C ATOM 440 C GLU A 51 1.294 -0.210 -11.733 1.00 0.00 C ATOM 441 O GLU A 51 0.762 0.101 -12.801 1.00 0.00 O ATOM 442 CB GLU A 51 1.297 -2.585 -11.242 1.00 0.00 C ATOM 443 CG GLU A 51 1.983 -3.946 -11.145 1.00 0.00 C ATOM 444 CD GLU A 51 2.114 -4.669 -12.489 1.00 0.00 C ATOM 445 OE1 GLU A 51 1.187 -5.425 -12.867 1.00 0.00 O ATOM 446 OE2 GLU A 51 3.208 -4.630 -13.098 1.00 0.00 O ATOM 0 H GLU A 51 3.334 -1.849 -9.874 1.00 0.00 H new ATOM 0 HA GLU A 51 2.770 -1.612 -12.541 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.824 -2.364 -10.285 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.501 -2.648 -11.984 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.976 -3.812 -10.717 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.421 -4.577 -10.456 1.00 0.00 H new ATOM 453 N ASN A 52 1.086 0.426 -10.589 1.00 0.00 N ATOM 454 CA ASN A 52 0.014 1.365 -10.356 1.00 0.00 C ATOM 455 C ASN A 52 0.408 2.842 -10.504 1.00 0.00 C ATOM 456 O ASN A 52 -0.022 3.491 -11.459 1.00 0.00 O ATOM 457 CB ASN A 52 -0.519 0.944 -8.969 1.00 0.00 C ATOM 458 CG ASN A 52 -1.799 0.156 -9.127 1.00 0.00 C ATOM 459 OD1 ASN A 52 -1.677 -1.146 -9.187 1.00 0.00 O flip ATOM 460 ND2 ASN A 52 -2.890 0.689 -9.243 1.00 0.00 N flip ATOM 0 H ASN A 52 1.684 0.293 -9.773 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.764 1.319 -11.118 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.227 0.342 -8.450 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.699 1.827 -8.356 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.969 1.705 -9.194 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.723 0.119 -9.389 1.00 0.00 H new ATOM 467 N SER A 53 1.225 3.364 -9.587 1.00 0.00 N ATOM 468 CA SER A 53 1.584 4.794 -9.478 1.00 0.00 C ATOM 469 C SER A 53 2.445 5.135 -8.257 1.00 0.00 C ATOM 470 O SER A 53 2.917 6.269 -8.127 1.00 0.00 O ATOM 471 CB SER A 53 0.331 5.678 -9.360 1.00 0.00 C ATOM 472 OG SER A 53 -0.419 5.342 -8.208 1.00 0.00 O ATOM 0 H SER A 53 1.674 2.791 -8.873 1.00 0.00 H new ATOM 0 HA SER A 53 2.149 4.988 -10.390 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.624 6.727 -9.314 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.288 5.558 -10.249 1.00 0.00 H new ATOM 0 HG SER A 53 -0.761 6.160 -7.790 1.00 0.00 H new ATOM 478 N LEU A 54 2.623 4.181 -7.348 1.00 0.00 N ATOM 479 CA LEU A 54 3.221 4.432 -6.044 1.00 0.00 C ATOM 480 C LEU A 54 4.734 4.264 -6.128 1.00 0.00 C ATOM 481 O LEU A 54 5.287 3.463 -6.883 1.00 0.00 O ATOM 482 CB LEU A 54 2.665 3.468 -4.981 1.00 0.00 C ATOM 483 CG LEU A 54 1.189 3.515 -4.556 1.00 0.00 C ATOM 484 CD1 LEU A 54 1.049 2.820 -3.181 1.00 0.00 C ATOM 485 CD2 LEU A 54 0.606 4.923 -4.487 1.00 0.00 C ATOM 0 H LEU A 54 2.355 3.208 -7.497 1.00 0.00 H new ATOM 0 HA LEU A 54 2.973 5.453 -5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.862 2.456 -5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.260 3.611 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 54 0.618 2.996 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.006 2.845 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.379 1.784 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.663 3.340 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.439 4.870 -4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.167 5.514 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.672 5.393 -5.468 1.00 0.00 H new ATOM 497 N GLU A 55 5.378 5.016 -5.253 1.00 0.00 N ATOM 498 CA GLU A 55 6.823 5.127 -5.085 1.00 0.00 C ATOM 499 C GLU A 55 7.118 5.517 -3.636 1.00 0.00 C ATOM 500 O GLU A 55 7.706 6.550 -3.309 1.00 0.00 O ATOM 501 CB GLU A 55 7.377 6.110 -6.123 1.00 0.00 C ATOM 502 CG GLU A 55 8.906 6.119 -6.059 1.00 0.00 C ATOM 503 CD GLU A 55 9.525 6.385 -7.439 1.00 0.00 C ATOM 504 OE1 GLU A 55 9.503 5.449 -8.279 1.00 0.00 O ATOM 505 OE2 GLU A 55 10.040 7.502 -7.687 1.00 0.00 O ATOM 0 H GLU A 55 4.873 5.608 -4.593 1.00 0.00 H new ATOM 0 HA GLU A 55 7.328 4.178 -5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.047 5.824 -7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.989 7.111 -5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.237 6.884 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.261 5.161 -5.678 1.00 0.00 H new ATOM 512 N THR A 56 6.553 4.714 -2.739 1.00 0.00 N ATOM 513 CA THR A 56 6.514 4.973 -1.298 1.00 0.00 C ATOM 514 C THR A 56 7.918 4.889 -0.653 1.00 0.00 C ATOM 515 O THR A 56 8.891 4.474 -1.298 1.00 0.00 O ATOM 516 CB THR A 56 5.554 3.990 -0.612 1.00 0.00 C ATOM 517 OG1 THR A 56 6.183 2.733 -0.489 1.00 0.00 O ATOM 518 CG2 THR A 56 4.232 3.782 -1.351 1.00 0.00 C ATOM 0 H THR A 56 6.096 3.840 -2.999 1.00 0.00 H new ATOM 0 HA THR A 56 6.153 5.992 -1.157 1.00 0.00 H new ATOM 0 HB THR A 56 5.318 4.434 0.355 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.242 2.488 0.458 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.614 3.074 -0.799 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.708 4.734 -1.434 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.431 3.390 -2.348 1.00 0.00 H new ATOM 526 N THR A 57 8.050 5.237 0.621 1.00 0.00 N ATOM 527 CA THR A 57 9.285 4.999 1.389 1.00 0.00 C ATOM 528 C THR A 57 9.477 3.503 1.573 1.00 0.00 C ATOM 529 O THR A 57 10.552 2.957 1.316 1.00 0.00 O ATOM 530 CB THR A 57 9.206 5.575 2.823 1.00 0.00 C ATOM 531 OG1 THR A 57 8.754 6.901 2.822 1.00 0.00 O ATOM 532 CG2 THR A 57 10.545 5.575 3.559 1.00 0.00 C ATOM 0 H THR A 57 7.311 5.691 1.158 1.00 0.00 H new ATOM 0 HA THR A 57 10.092 5.476 0.832 1.00 0.00 H new ATOM 0 HB THR A 57 8.509 4.913 3.337 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.269 7.082 3.654 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.412 5.993 4.557 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.916 4.553 3.640 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.264 6.179 3.006 1.00 0.00 H new ATOM 540 N PHE A 58 8.416 2.859 2.069 1.00 0.00 N ATOM 541 CA PHE A 58 8.445 1.501 2.581 1.00 0.00 C ATOM 542 C PHE A 58 7.062 0.959 2.905 1.00 0.00 C ATOM 543 O PHE A 58 6.087 1.712 2.957 1.00 0.00 O ATOM 544 CB PHE A 58 9.276 1.510 3.877 1.00 0.00 C ATOM 545 CG PHE A 58 8.591 1.604 5.237 1.00 0.00 C ATOM 546 CD1 PHE A 58 8.264 2.852 5.802 1.00 0.00 C ATOM 547 CD2 PHE A 58 8.360 0.432 5.992 1.00 0.00 C ATOM 548 CE1 PHE A 58 7.673 2.920 7.078 1.00 0.00 C ATOM 549 CE2 PHE A 58 7.757 0.499 7.259 1.00 0.00 C ATOM 550 CZ PHE A 58 7.407 1.745 7.804 1.00 0.00 C ATOM 0 H PHE A 58 7.492 3.287 2.123 1.00 0.00 H new ATOM 0 HA PHE A 58 8.873 0.859 1.811 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.875 0.599 3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.970 2.348 3.808 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.467 3.760 5.254 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.651 -0.527 5.590 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.422 3.881 7.502 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.563 -0.407 7.814 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.937 1.801 8.775 1.00 0.00 H new ATOM 560 N SER A 59 7.017 -0.335 3.224 1.00 0.00 N ATOM 561 CA SER A 59 5.864 -0.968 3.843 1.00 0.00 C ATOM 562 C SER A 59 6.277 -2.041 4.852 1.00 0.00 C ATOM 563 O SER A 59 7.245 -2.779 4.637 1.00 0.00 O ATOM 564 CB SER A 59 4.981 -1.620 2.807 1.00 0.00 C ATOM 565 OG SER A 59 3.861 -2.200 3.432 1.00 0.00 O ATOM 0 H SER A 59 7.792 -0.976 3.056 1.00 0.00 H new ATOM 0 HA SER A 59 5.321 -0.175 4.357 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.658 -0.881 2.074 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.542 -2.382 2.265 1.00 0.00 H new ATOM 0 HG SER A 59 3.340 -2.702 2.770 1.00 0.00 H new ATOM 571 N SER A 60 5.510 -2.144 5.930 1.00 0.00 N ATOM 572 CA SER A 60 5.568 -3.259 6.875 1.00 0.00 C ATOM 573 C SER A 60 4.588 -4.341 6.414 1.00 0.00 C ATOM 574 O SER A 60 3.381 -4.081 6.363 1.00 0.00 O ATOM 575 CB SER A 60 5.142 -2.763 8.251 1.00 0.00 C ATOM 576 OG SER A 60 5.553 -3.696 9.232 1.00 0.00 O ATOM 0 H SER A 60 4.814 -1.441 6.180 1.00 0.00 H new ATOM 0 HA SER A 60 6.580 -3.661 6.921 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.585 -1.788 8.452 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.060 -2.635 8.285 1.00 0.00 H new ATOM 0 HG SER A 60 5.282 -3.379 10.119 1.00 0.00 H new ATOM 582 N VAL A 61 5.069 -5.547 6.089 1.00 0.00 N ATOM 583 CA VAL A 61 4.234 -6.613 5.504 1.00 0.00 C ATOM 584 C VAL A 61 4.691 -8.011 5.882 1.00 0.00 C ATOM 585 O VAL A 61 5.887 -8.293 5.963 1.00 0.00 O ATOM 586 CB VAL A 61 4.242 -6.588 3.948 1.00 0.00 C ATOM 587 CG1 VAL A 61 2.990 -7.236 3.330 1.00 0.00 C ATOM 588 CG2 VAL A 61 4.308 -5.197 3.329 1.00 0.00 C ATOM 0 H VAL A 61 6.044 -5.815 6.222 1.00 0.00 H new ATOM 0 HA VAL A 61 3.242 -6.406 5.907 1.00 0.00 H new ATOM 0 HB VAL A 61 5.151 -7.146 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.054 -7.188 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.927 -8.278 3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.101 -6.702 3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.309 -5.282 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.442 -4.616 3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.220 -4.697 3.655 1.00 0.00 H new ATOM 701 N THR A 69 -0.921 -7.888 5.798 1.00 0.00 N ATOM 702 CA THR A 69 -1.275 -6.502 5.391 1.00 0.00 C ATOM 703 C THR A 69 -0.123 -5.592 4.916 1.00 0.00 C ATOM 704 O THR A 69 0.901 -5.396 5.553 1.00 0.00 O ATOM 705 CB THR A 69 -2.170 -5.736 6.382 1.00 0.00 C ATOM 706 OG1 THR A 69 -1.448 -5.233 7.487 1.00 0.00 O ATOM 707 CG2 THR A 69 -3.347 -6.537 6.921 1.00 0.00 C ATOM 0 HA THR A 69 -1.863 -6.729 4.502 1.00 0.00 H new ATOM 0 HB THR A 69 -2.562 -4.917 5.778 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.058 -4.754 8.086 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.922 -5.919 7.611 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.985 -6.848 6.094 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.978 -7.419 7.445 1.00 0.00 H new ATOM 715 N GLY A 70 -0.314 -4.953 3.768 1.00 0.00 N ATOM 716 CA GLY A 70 0.531 -3.889 3.235 1.00 0.00 C ATOM 717 C GLY A 70 0.425 -2.590 4.015 1.00 0.00 C ATOM 718 O GLY A 70 -0.415 -1.765 3.662 1.00 0.00 O ATOM 0 H GLY A 70 -1.099 -5.172 3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.569 -4.223 3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.258 -3.704 2.196 1.00 0.00 H new ATOM 722 N ALA A 71 1.230 -2.385 5.060 1.00 0.00 N ATOM 723 CA ALA A 71 1.224 -1.116 5.783 1.00 0.00 C ATOM 724 C ALA A 71 2.257 -0.124 5.228 1.00 0.00 C ATOM 725 O ALA A 71 3.396 -0.082 5.690 1.00 0.00 O ATOM 726 CB ALA A 71 1.347 -1.370 7.287 1.00 0.00 C ATOM 0 H ALA A 71 1.888 -3.076 5.420 1.00 0.00 H new ATOM 0 HA ALA A 71 0.265 -0.623 5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.342 -0.418 7.818 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.507 -1.978 7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.280 -1.895 7.492 1.00 0.00 H new ATOM 732 N LEU A 72 1.887 0.599 4.161 1.00 0.00 N ATOM 733 CA LEU A 72 2.760 1.499 3.396 1.00 0.00 C ATOM 734 C LEU A 72 2.927 2.865 4.082 1.00 0.00 C ATOM 735 O LEU A 72 2.066 3.301 4.845 1.00 0.00 O ATOM 736 CB LEU A 72 2.143 1.764 2.024 1.00 0.00 C ATOM 737 CG LEU A 72 2.381 0.761 0.892 1.00 0.00 C ATOM 738 CD1 LEU A 72 3.838 0.726 0.439 1.00 0.00 C ATOM 739 CD2 LEU A 72 1.828 -0.627 1.183 1.00 0.00 C ATOM 0 H LEU A 72 0.936 0.571 3.794 1.00 0.00 H new ATOM 0 HA LEU A 72 3.731 1.009 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.065 1.855 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.504 2.735 1.684 1.00 0.00 H new ATOM 0 HG LEU A 72 1.800 1.133 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.952 -0.001 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.131 1.713 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.473 0.442 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.033 -1.285 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.303 -1.028 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.751 -0.564 1.341 1.00 0.00 H new ATOM 751 N GLU A 73 3.981 3.588 3.710 1.00 0.00 N ATOM 752 CA GLU A 73 4.302 4.944 4.225 1.00 0.00 C ATOM 753 C GLU A 73 5.011 5.863 3.196 1.00 0.00 C ATOM 754 O GLU A 73 5.827 5.371 2.410 1.00 0.00 O ATOM 755 CB GLU A 73 5.235 4.742 5.430 1.00 0.00 C ATOM 756 CG GLU A 73 5.485 6.021 6.233 1.00 0.00 C ATOM 757 CD GLU A 73 6.945 6.495 6.185 1.00 0.00 C ATOM 758 OE1 GLU A 73 7.372 7.042 5.141 1.00 0.00 O ATOM 759 OE2 GLU A 73 7.641 6.480 7.232 1.00 0.00 O ATOM 0 H GLU A 73 4.660 3.252 3.027 1.00 0.00 H new ATOM 0 HA GLU A 73 3.366 5.443 4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.805 3.987 6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.190 4.351 5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.841 6.813 5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.200 5.851 7.271 1.00 0.00 H new ATOM 766 N PHE A 74 4.784 7.192 3.214 1.00 0.00 N ATOM 767 CA PHE A 74 5.565 8.182 2.433 1.00 0.00 C ATOM 768 C PHE A 74 5.724 9.563 3.136 1.00 0.00 C ATOM 769 O PHE A 74 4.866 9.946 3.936 1.00 0.00 O ATOM 770 CB PHE A 74 4.910 8.445 1.061 1.00 0.00 C ATOM 771 CG PHE A 74 5.842 9.061 0.022 1.00 0.00 C ATOM 772 CD1 PHE A 74 6.996 8.394 -0.410 1.00 0.00 C ATOM 773 CD2 PHE A 74 5.618 10.371 -0.426 1.00 0.00 C ATOM 774 CE1 PHE A 74 7.912 9.018 -1.280 1.00 0.00 C ATOM 775 CE2 PHE A 74 6.525 11.008 -1.295 1.00 0.00 C ATOM 776 CZ PHE A 74 7.676 10.329 -1.723 1.00 0.00 C ATOM 0 H PHE A 74 4.046 7.616 3.776 1.00 0.00 H new ATOM 0 HA PHE A 74 6.551 7.729 2.330 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.523 7.504 0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.055 9.107 1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.186 7.386 -0.071 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.735 10.900 -0.099 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.795 8.488 -1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.335 12.017 -1.631 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.376 10.812 -2.389 1.00 0.00 H new ATOM 786 N PRO A 75 6.759 10.374 2.816 1.00 0.00 N ATOM 787 CA PRO A 75 6.893 11.786 3.219 1.00 0.00 C ATOM 788 C PRO A 75 5.854 12.799 2.677 1.00 0.00 C ATOM 789 O PRO A 75 5.959 13.973 3.033 1.00 0.00 O ATOM 790 CB PRO A 75 8.329 12.200 2.845 1.00 0.00 C ATOM 791 CG PRO A 75 8.786 11.153 1.848 1.00 0.00 C ATOM 792 CD PRO A 75 8.068 9.919 2.361 1.00 0.00 C ATOM 0 HA PRO A 75 6.683 11.829 4.288 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.352 13.199 2.409 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.976 12.220 3.722 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.496 11.403 0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.869 11.029 1.850 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.969 9.170 1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.624 9.455 3.175 1.00 0.00 H new ATOM 800 N SER A 76 4.846 12.406 1.887 1.00 0.00 N ATOM 801 CA SER A 76 3.776 13.302 1.400 1.00 0.00 C ATOM 802 C SER A 76 2.435 12.586 1.269 1.00 0.00 C ATOM 803 O SER A 76 2.351 11.548 0.613 1.00 0.00 O ATOM 804 CB SER A 76 4.064 13.804 -0.007 1.00 0.00 C ATOM 805 OG SER A 76 5.263 14.547 -0.101 1.00 0.00 O ATOM 0 H SER A 76 4.745 11.445 1.561 1.00 0.00 H new ATOM 0 HA SER A 76 3.739 14.106 2.135 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.118 12.952 -0.685 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.233 14.425 -0.341 1.00 0.00 H new ATOM 0 HG SER A 76 5.394 14.841 -1.027 1.00 0.00 H new ATOM 811 N GLU A 77 1.361 13.197 1.777 1.00 0.00 N ATOM 812 CA GLU A 77 -0.012 12.683 1.639 1.00 0.00 C ATOM 813 C GLU A 77 -0.454 12.474 0.183 1.00 0.00 C ATOM 814 O GLU A 77 -1.364 11.693 -0.067 1.00 0.00 O ATOM 815 CB GLU A 77 -1.024 13.540 2.416 1.00 0.00 C ATOM 816 CG GLU A 77 -1.052 15.021 2.025 1.00 0.00 C ATOM 817 CD GLU A 77 -2.056 15.797 2.911 1.00 0.00 C ATOM 818 OE1 GLU A 77 -2.020 15.656 4.157 1.00 0.00 O ATOM 819 OE2 GLU A 77 -2.892 16.553 2.360 1.00 0.00 O ATOM 0 H GLU A 77 1.417 14.070 2.301 1.00 0.00 H new ATOM 0 HA GLU A 77 0.006 11.690 2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.020 13.122 2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -0.800 13.465 3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.056 15.450 2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.331 15.121 0.976 1.00 0.00 H new ATOM 826 N GLU A 78 0.235 13.097 -0.769 1.00 0.00 N ATOM 827 CA GLU A 78 0.102 12.845 -2.211 1.00 0.00 C ATOM 828 C GLU A 78 0.035 11.340 -2.536 1.00 0.00 C ATOM 829 O GLU A 78 -0.925 10.893 -3.158 1.00 0.00 O ATOM 830 CB GLU A 78 1.306 13.476 -2.941 1.00 0.00 C ATOM 831 CG GLU A 78 1.430 14.999 -2.786 1.00 0.00 C ATOM 832 CD GLU A 78 2.733 15.514 -3.430 1.00 0.00 C ATOM 833 OE1 GLU A 78 2.784 15.668 -4.673 1.00 0.00 O ATOM 834 OE2 GLU A 78 3.717 15.775 -2.700 1.00 0.00 O ATOM 0 H GLU A 78 0.926 13.816 -0.556 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.833 13.293 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.220 13.012 -2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.234 13.238 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.573 15.487 -3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.413 15.263 -1.729 1.00 0.00 H new ATOM 841 N ILE A 79 1.015 10.556 -2.060 1.00 0.00 N ATOM 842 CA ILE A 79 1.178 9.112 -2.349 1.00 0.00 C ATOM 843 C ILE A 79 0.143 8.261 -1.600 1.00 0.00 C ATOM 844 O ILE A 79 -0.378 7.265 -2.116 1.00 0.00 O ATOM 845 CB ILE A 79 2.640 8.686 -2.038 1.00 0.00 C ATOM 846 CG1 ILE A 79 3.601 9.606 -2.832 1.00 0.00 C ATOM 847 CG2 ILE A 79 2.922 7.197 -2.301 1.00 0.00 C ATOM 848 CD1 ILE A 79 4.865 9.016 -3.465 1.00 0.00 C ATOM 0 H ILE A 79 1.743 10.916 -1.443 1.00 0.00 H new ATOM 0 HA ILE A 79 0.990 8.937 -3.408 1.00 0.00 H new ATOM 0 HB ILE A 79 2.806 8.807 -0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.022 10.069 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.915 10.405 -2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.962 6.976 -2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.268 6.587 -1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.736 6.971 -3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.416 9.803 -3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.493 8.583 -2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.587 8.242 -4.180 1.00 0.00 H new ATOM 860 N LEU A 80 -0.213 8.717 -0.394 1.00 0.00 N ATOM 861 CA LEU A 80 -1.285 8.153 0.410 1.00 0.00 C ATOM 862 C LEU A 80 -2.626 8.226 -0.344 1.00 0.00 C ATOM 863 O LEU A 80 -3.285 7.209 -0.558 1.00 0.00 O ATOM 864 CB LEU A 80 -1.290 8.899 1.766 1.00 0.00 C ATOM 865 CG LEU A 80 -2.635 9.269 2.432 1.00 0.00 C ATOM 866 CD1 LEU A 80 -3.476 8.084 2.857 1.00 0.00 C ATOM 867 CD2 LEU A 80 -2.428 10.073 3.707 1.00 0.00 C ATOM 0 H LEU A 80 0.252 9.507 0.054 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.127 7.092 0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.732 8.288 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.728 9.823 1.631 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.147 9.830 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.400 8.439 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.713 7.475 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.921 7.484 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.396 10.314 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.844 9.487 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.896 10.995 3.473 1.00 0.00 H new ATOM 879 N VAL A 81 -3.007 9.432 -0.780 1.00 0.00 N ATOM 880 CA VAL A 81 -4.308 9.734 -1.402 1.00 0.00 C ATOM 881 C VAL A 81 -4.404 9.081 -2.759 1.00 0.00 C ATOM 882 O VAL A 81 -5.459 8.555 -3.115 1.00 0.00 O ATOM 883 CB VAL A 81 -4.509 11.257 -1.556 1.00 0.00 C ATOM 884 CG1 VAL A 81 -5.770 11.639 -2.344 1.00 0.00 C ATOM 885 CG2 VAL A 81 -4.633 11.941 -0.189 1.00 0.00 C ATOM 0 H VAL A 81 -2.403 10.251 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.087 9.340 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.627 11.590 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.843 12.725 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.714 11.217 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.650 11.247 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.774 13.013 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.488 11.530 0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.725 11.767 0.389 1.00 0.00 H new ATOM 895 N GLU A 82 -3.279 9.059 -3.466 1.00 0.00 N ATOM 896 CA GLU A 82 -3.079 8.273 -4.646 1.00 0.00 C ATOM 897 C GLU A 82 -3.552 6.842 -4.371 1.00 0.00 C ATOM 898 O GLU A 82 -4.627 6.476 -4.826 1.00 0.00 O ATOM 899 CB GLU A 82 -1.580 8.336 -4.928 1.00 0.00 C ATOM 900 CG GLU A 82 -1.136 9.280 -6.039 1.00 0.00 C ATOM 901 CD GLU A 82 -1.610 8.888 -7.444 1.00 0.00 C ATOM 902 OE1 GLU A 82 -1.603 7.682 -7.775 1.00 0.00 O ATOM 903 OE2 GLU A 82 -1.997 9.775 -8.238 1.00 0.00 O ATOM 0 H GLU A 82 -2.461 9.613 -3.212 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.640 8.635 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.072 8.628 -4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.237 7.332 -5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.502 10.282 -5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.047 9.331 -6.039 1.00 0.00 H new ATOM 910 N ALA A 83 -2.850 6.076 -3.527 1.00 0.00 N ATOM 911 CA ALA A 83 -3.224 4.685 -3.209 1.00 0.00 C ATOM 912 C ALA A 83 -4.694 4.516 -2.782 1.00 0.00 C ATOM 913 O ALA A 83 -5.370 3.611 -3.268 1.00 0.00 O ATOM 914 CB ALA A 83 -2.294 4.156 -2.122 1.00 0.00 C ATOM 0 H ALA A 83 -2.010 6.397 -3.045 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.116 4.108 -4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.564 3.128 -1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.264 4.187 -2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.389 4.775 -1.230 1.00 0.00 H new ATOM 920 N LEU A 84 -5.222 5.420 -1.960 1.00 0.00 N ATOM 921 CA LEU A 84 -6.625 5.395 -1.500 1.00 0.00 C ATOM 922 C LEU A 84 -7.610 5.524 -2.656 1.00 0.00 C ATOM 923 O LEU A 84 -8.719 4.993 -2.577 1.00 0.00 O ATOM 924 CB LEU A 84 -6.943 6.522 -0.489 1.00 0.00 C ATOM 925 CG LEU A 84 -6.179 6.618 0.822 1.00 0.00 C ATOM 926 CD1 LEU A 84 -7.118 7.138 1.908 1.00 0.00 C ATOM 927 CD2 LEU A 84 -5.600 5.290 1.262 1.00 0.00 C ATOM 0 H LEU A 84 -4.688 6.204 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.740 4.426 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.809 7.470 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.001 6.442 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.343 7.300 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.578 7.210 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.490 8.123 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.958 6.452 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.066 5.420 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.406 4.569 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.911 4.924 0.501 1.00 0.00 H new ATOM 939 N GLU A 85 -7.200 6.198 -3.722 1.00 0.00 N ATOM 940 CA GLU A 85 -7.989 6.335 -4.935 1.00 0.00 C ATOM 941 C GLU A 85 -7.526 5.431 -6.097 1.00 0.00 C ATOM 942 O GLU A 85 -8.184 5.408 -7.148 1.00 0.00 O ATOM 943 CB GLU A 85 -8.009 7.811 -5.362 1.00 0.00 C ATOM 944 CG GLU A 85 -8.739 8.705 -4.352 1.00 0.00 C ATOM 945 CD GLU A 85 -9.007 10.105 -4.940 1.00 0.00 C ATOM 946 OE1 GLU A 85 -8.065 10.926 -5.049 1.00 0.00 O ATOM 947 OE2 GLU A 85 -10.175 10.400 -5.295 1.00 0.00 O ATOM 0 H GLU A 85 -6.297 6.671 -3.767 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.997 5.994 -4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.985 8.165 -5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.492 7.898 -6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.683 8.241 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.142 8.797 -3.445 1.00 0.00 H new ATOM 954 N ARG A 86 -6.427 4.671 -5.956 1.00 0.00 N ATOM 955 CA ARG A 86 -5.777 3.907 -7.028 1.00 0.00 C ATOM 956 C ARG A 86 -5.826 2.407 -6.776 1.00 0.00 C ATOM 957 O ARG A 86 -5.877 1.641 -7.731 1.00 0.00 O ATOM 958 CB ARG A 86 -4.315 4.378 -7.132 1.00 0.00 C ATOM 959 CG ARG A 86 -4.023 5.316 -8.303 1.00 0.00 C ATOM 960 CD ARG A 86 -4.723 6.670 -8.144 1.00 0.00 C ATOM 961 NE ARG A 86 -4.126 7.693 -9.007 1.00 0.00 N ATOM 962 CZ ARG A 86 -4.721 8.585 -9.767 1.00 0.00 C ATOM 963 NH1 ARG A 86 -5.966 8.482 -10.142 1.00 0.00 N ATOM 964 NH2 ARG A 86 -4.041 9.627 -10.140 1.00 0.00 N ATOM 0 H ARG A 86 -5.952 4.570 -5.059 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.312 4.086 -7.961 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.044 4.883 -6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.672 3.502 -7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.947 5.472 -8.383 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.347 4.847 -9.232 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.781 6.563 -8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.663 6.991 -7.104 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.106 7.716 -9.020 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.524 7.681 -9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.382 9.202 -10.733 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.071 9.736 -9.843 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.477 10.336 -10.730 1.00 0.00 H new ATOM 978 N LEU A 87 -5.827 2.001 -5.504 1.00 0.00 N ATOM 979 CA LEU A 87 -5.707 0.638 -5.028 1.00 0.00 C ATOM 980 C LEU A 87 -6.912 0.202 -4.175 1.00 0.00 C ATOM 981 O LEU A 87 -6.936 -0.938 -3.723 1.00 0.00 O ATOM 982 CB LEU A 87 -4.397 0.519 -4.220 1.00 0.00 C ATOM 983 CG LEU A 87 -3.119 0.328 -5.017 1.00 0.00 C ATOM 984 CD1 LEU A 87 -2.747 1.436 -5.970 1.00 0.00 C ATOM 985 CD2 LEU A 87 -1.932 0.046 -4.108 1.00 0.00 C ATOM 0 H LEU A 87 -5.918 2.666 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.687 -0.030 -5.889 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.289 1.418 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.497 -0.320 -3.531 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.355 -0.533 -5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.817 1.182 -6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.540 1.564 -6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.615 2.364 -5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.034 -0.085 -4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.790 0.883 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.120 -0.862 -3.535 1.00 0.00 H new ATOM 997 N ASN A 88 -7.917 1.051 -3.926 1.00 0.00 N ATOM 998 CA ASN A 88 -9.026 0.648 -3.064 1.00 0.00 C ATOM 999 C ASN A 88 -9.998 -0.341 -3.744 1.00 0.00 C ATOM 1000 O ASN A 88 -10.795 0.035 -4.603 1.00 0.00 O ATOM 1001 CB ASN A 88 -9.741 1.849 -2.429 1.00 0.00 C ATOM 1002 CG ASN A 88 -10.652 1.371 -1.310 1.00 0.00 C ATOM 1003 OD1 ASN A 88 -10.360 0.411 -0.615 1.00 0.00 O ATOM 1004 ND2 ASN A 88 -11.795 1.979 -1.126 1.00 0.00 N ATOM 0 H ASN A 88 -7.983 1.998 -4.300 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.578 0.091 -2.242 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.009 2.555 -2.038 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.323 2.378 -3.183 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -12.437 1.651 -0.405 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.044 2.782 -1.704 1.00 0.00 H new ATOM 1011 N ASN A 89 -9.929 -1.603 -3.314 1.00 0.00 N ATOM 1012 CA ASN A 89 -10.649 -2.766 -3.838 1.00 0.00 C ATOM 1013 C ASN A 89 -10.379 -3.003 -5.337 1.00 0.00 C ATOM 1014 O ASN A 89 -11.294 -3.081 -6.161 1.00 0.00 O ATOM 1015 CB ASN A 89 -12.111 -2.766 -3.359 1.00 0.00 C ATOM 1016 CG ASN A 89 -12.671 -4.178 -3.285 1.00 0.00 C ATOM 1017 OD1 ASN A 89 -13.418 -4.629 -4.148 1.00 0.00 O ATOM 1018 ND2 ASN A 89 -12.319 -4.928 -2.268 1.00 0.00 N ATOM 0 H ASN A 89 -9.324 -1.857 -2.533 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.244 -3.680 -3.405 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -12.174 -2.296 -2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -12.718 -2.167 -4.038 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.666 -5.884 -2.195 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.698 -4.555 -1.550 1.00 0.00 H new ATOM 1025 N ILE A 90 -9.086 -3.102 -5.680 1.00 0.00 N ATOM 1026 CA ILE A 90 -8.568 -3.418 -7.022 1.00 0.00 C ATOM 1027 C ILE A 90 -8.078 -4.857 -7.054 1.00 0.00 C ATOM 1028 O ILE A 90 -7.637 -5.372 -6.032 1.00 0.00 O ATOM 1029 CB ILE A 90 -7.417 -2.470 -7.445 1.00 0.00 C ATOM 1030 CG1 ILE A 90 -6.108 -2.651 -6.647 1.00 0.00 C ATOM 1031 CG2 ILE A 90 -7.953 -1.035 -7.452 1.00 0.00 C ATOM 1032 CD1 ILE A 90 -4.880 -2.179 -7.418 1.00 0.00 C ATOM 0 H ILE A 90 -8.339 -2.958 -5.001 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.386 -3.280 -7.730 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.103 -2.737 -8.454 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.179 -2.098 -5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.987 -3.703 -6.388 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.158 -0.351 -7.747 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.779 -0.958 -8.159 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.305 -0.773 -6.454 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.988 -2.330 -6.810 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.789 -2.750 -8.342 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.983 -1.120 -7.654 1.00 0.00 H new ATOM 1044 N GLU A 91 -8.081 -5.487 -8.226 1.00 0.00 N ATOM 1045 CA GLU A 91 -7.516 -6.824 -8.401 1.00 0.00 C ATOM 1046 C GLU A 91 -6.017 -6.757 -8.759 1.00 0.00 C ATOM 1047 O GLU A 91 -5.598 -6.438 -9.869 1.00 0.00 O ATOM 1048 CB GLU A 91 -8.351 -7.625 -9.394 1.00 0.00 C ATOM 1049 CG GLU A 91 -8.066 -9.129 -9.366 1.00 0.00 C ATOM 1050 CD GLU A 91 -8.674 -9.851 -10.581 1.00 0.00 C ATOM 1051 OE1 GLU A 91 -9.922 -9.890 -10.720 1.00 0.00 O ATOM 1052 OE2 GLU A 91 -7.909 -10.399 -11.414 1.00 0.00 O ATOM 0 H GLU A 91 -8.473 -5.088 -9.079 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.563 -7.361 -7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.408 -7.460 -9.183 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.165 -7.248 -10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.989 -9.294 -9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.470 -9.558 -8.449 1.00 0.00 H new ATOM 1059 N PHE A 92 -5.213 -7.053 -7.741 1.00 0.00 N ATOM 1060 CA PHE A 92 -3.764 -7.215 -7.721 1.00 0.00 C ATOM 1061 C PHE A 92 -3.314 -8.467 -8.491 1.00 0.00 C ATOM 1062 O PHE A 92 -3.055 -9.504 -7.878 1.00 0.00 O ATOM 1063 CB PHE A 92 -3.383 -7.296 -6.233 1.00 0.00 C ATOM 1064 CG PHE A 92 -1.933 -7.471 -5.798 1.00 0.00 C ATOM 1065 CD1 PHE A 92 -0.866 -7.685 -6.708 1.00 0.00 C ATOM 1066 CD2 PHE A 92 -1.658 -7.407 -4.417 1.00 0.00 C ATOM 1067 CE1 PHE A 92 0.449 -7.823 -6.240 1.00 0.00 C ATOM 1068 CE2 PHE A 92 -0.340 -7.533 -3.960 1.00 0.00 C ATOM 1069 CZ PHE A 92 0.707 -7.727 -4.868 1.00 0.00 C ATOM 0 H PHE A 92 -5.604 -7.201 -6.811 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.265 -6.383 -8.219 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.749 -6.385 -5.761 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.946 -8.125 -5.805 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.067 -7.742 -7.768 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.463 -7.261 -3.712 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.257 -8.002 -6.934 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.131 -7.480 -2.902 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.722 -7.803 -4.507 1.00 0.00 H new ATOM 1079 N ARG A 93 -3.219 -8.382 -9.821 1.00 0.00 N ATOM 1080 CA ARG A 93 -2.751 -9.441 -10.754 1.00 0.00 C ATOM 1081 C ARG A 93 -3.460 -10.816 -10.663 1.00 0.00 C ATOM 1082 O ARG A 93 -3.127 -11.729 -11.424 1.00 0.00 O ATOM 1083 CB ARG A 93 -1.223 -9.626 -10.612 1.00 0.00 C ATOM 1084 CG ARG A 93 -0.371 -8.399 -10.973 1.00 0.00 C ATOM 1085 CD ARG A 93 1.103 -8.751 -10.730 1.00 0.00 C ATOM 1086 NE ARG A 93 2.040 -7.721 -11.221 1.00 0.00 N ATOM 1087 CZ ARG A 93 3.330 -7.666 -10.930 1.00 0.00 C ATOM 1088 NH1 ARG A 93 3.902 -8.494 -10.106 1.00 0.00 N ATOM 1089 NH2 ARG A 93 4.127 -6.779 -11.442 1.00 0.00 N ATOM 0 H ARG A 93 -3.479 -7.528 -10.315 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.025 -9.067 -11.741 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.003 -9.909 -9.583 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.915 -10.459 -11.244 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.528 -8.120 -12.015 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.662 -7.542 -10.366 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.263 -8.897 -9.662 1.00 0.00 H new ATOM 0 HD3 ARG A 93 1.328 -9.699 -11.219 1.00 0.00 H new ATOM 0 HE ARG A 93 1.664 -6.996 -11.832 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.352 -9.224 -9.654 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.900 -8.413 -9.912 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.765 -6.086 -12.098 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.115 -6.774 -11.189 1.00 0.00 H new ATOM 1103 N GLY A 94 -4.409 -10.983 -9.744 1.00 0.00 N ATOM 1104 CA GLY A 94 -5.021 -12.256 -9.351 1.00 0.00 C ATOM 1105 C GLY A 94 -5.503 -12.301 -7.885 1.00 0.00 C ATOM 1106 O GLY A 94 -6.372 -13.120 -7.573 1.00 0.00 O ATOM 0 H GLY A 94 -4.794 -10.194 -9.225 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.868 -12.456 -10.007 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.299 -13.057 -9.509 1.00 0.00 H new ATOM 1110 N SER A 95 -4.998 -11.432 -6.993 1.00 0.00 N ATOM 1111 CA SER A 95 -5.545 -11.205 -5.657 1.00 0.00 C ATOM 1112 C SER A 95 -6.328 -9.896 -5.752 1.00 0.00 C ATOM 1113 O SER A 95 -6.430 -9.299 -6.814 1.00 0.00 O ATOM 1114 CB SER A 95 -4.412 -11.082 -4.631 1.00 0.00 C ATOM 1115 OG SER A 95 -3.673 -12.284 -4.524 1.00 0.00 O ATOM 0 H SER A 95 -4.179 -10.858 -7.192 1.00 0.00 H new ATOM 0 HA SER A 95 -6.179 -12.030 -5.333 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.746 -10.269 -4.920 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.828 -10.822 -3.658 1.00 0.00 H new ATOM 0 HG SER A 95 -2.958 -12.171 -3.863 1.00 0.00 H new ATOM 1121 N VAL A 96 -6.851 -9.383 -4.645 1.00 0.00 N ATOM 1122 CA VAL A 96 -7.434 -8.026 -4.586 1.00 0.00 C ATOM 1123 C VAL A 96 -7.136 -7.433 -3.208 1.00 0.00 C ATOM 1124 O VAL A 96 -7.076 -8.168 -2.220 1.00 0.00 O ATOM 1125 CB VAL A 96 -8.942 -7.959 -4.982 1.00 0.00 C ATOM 1126 CG1 VAL A 96 -9.609 -9.316 -5.144 1.00 0.00 C ATOM 1127 CG2 VAL A 96 -9.843 -7.052 -4.140 1.00 0.00 C ATOM 0 H VAL A 96 -6.888 -9.886 -3.758 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.959 -7.412 -5.351 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.857 -7.480 -5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.654 -9.177 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -9.100 -9.881 -5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.551 -9.864 -4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.863 -7.098 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.828 -7.386 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.480 -6.026 -4.196 1.00 0.00 H new ATOM 1137 N ILE A 97 -6.977 -6.113 -3.125 1.00 0.00 N ATOM 1138 CA ILE A 97 -6.690 -5.347 -1.902 1.00 0.00 C ATOM 1139 C ILE A 97 -7.636 -4.151 -1.796 1.00 0.00 C ATOM 1140 O ILE A 97 -7.903 -3.469 -2.775 1.00 0.00 O ATOM 1141 CB ILE A 97 -5.222 -4.846 -1.846 1.00 0.00 C ATOM 1142 CG1 ILE A 97 -4.715 -4.387 -3.231 1.00 0.00 C ATOM 1143 CG2 ILE A 97 -4.297 -5.911 -1.233 1.00 0.00 C ATOM 1144 CD1 ILE A 97 -3.381 -3.634 -3.198 1.00 0.00 C ATOM 0 H ILE A 97 -7.047 -5.514 -3.948 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.843 -6.024 -1.061 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.202 -3.972 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.609 -5.261 -3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.469 -3.746 -3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.275 -5.533 -1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.626 -6.139 -0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.333 -6.817 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.099 -3.349 -4.212 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.483 -2.739 -2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.610 -4.278 -2.775 1.00 0.00 H new ATOM 1156 N THR A 98 -8.109 -3.895 -0.577 1.00 0.00 N ATOM 1157 CA THR A 98 -8.850 -2.718 -0.097 1.00 0.00 C ATOM 1158 C THR A 98 -7.860 -1.891 0.702 1.00 0.00 C ATOM 1159 O THR A 98 -7.083 -2.444 1.485 1.00 0.00 O ATOM 1160 CB THR A 98 -9.955 -3.174 0.845 1.00 0.00 C ATOM 1161 OG1 THR A 98 -10.800 -4.108 0.198 1.00 0.00 O ATOM 1162 CG2 THR A 98 -10.847 -2.052 1.367 1.00 0.00 C ATOM 0 H THR A 98 -7.972 -4.569 0.176 1.00 0.00 H new ATOM 0 HA THR A 98 -9.285 -2.158 -0.925 1.00 0.00 H new ATOM 0 HB THR A 98 -9.428 -3.609 1.694 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.505 -4.394 0.816 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.605 -2.469 2.030 1.00 0.00 H new ATOM 0 HG22 THR A 98 -10.241 -1.331 1.916 1.00 0.00 H new ATOM 0 HG23 THR A 98 -11.333 -1.553 0.528 1.00 0.00 H new ATOM 1170 N VAL A 99 -7.864 -0.575 0.536 1.00 0.00 N ATOM 1171 CA VAL A 99 -6.818 0.278 1.105 1.00 0.00 C ATOM 1172 C VAL A 99 -7.397 1.540 1.720 1.00 0.00 C ATOM 1173 O VAL A 99 -8.371 2.116 1.226 1.00 0.00 O ATOM 1174 CB VAL A 99 -5.699 0.605 0.110 1.00 0.00 C ATOM 1175 CG1 VAL A 99 -5.222 -0.629 -0.642 1.00 0.00 C ATOM 1176 CG2 VAL A 99 -6.151 1.617 -0.905 1.00 0.00 C ATOM 0 H VAL A 99 -8.579 -0.070 0.012 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.357 -0.305 1.903 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.879 1.006 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.429 -0.349 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.840 -1.363 0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.054 -1.061 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.335 1.828 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.003 1.222 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.443 2.536 -0.397 1.00 0.00 H new ATOM 1186 N GLU A 100 -6.773 1.971 2.798 1.00 0.00 N ATOM 1187 CA GLU A 100 -7.235 3.112 3.587 1.00 0.00 C ATOM 1188 C GLU A 100 -6.140 3.646 4.493 1.00 0.00 C ATOM 1189 O GLU A 100 -5.217 2.927 4.889 1.00 0.00 O ATOM 1190 CB GLU A 100 -8.459 2.710 4.448 1.00 0.00 C ATOM 1191 CG GLU A 100 -8.265 1.547 5.434 1.00 0.00 C ATOM 1192 CD GLU A 100 -8.388 0.161 4.783 1.00 0.00 C ATOM 1193 OE1 GLU A 100 -9.525 -0.323 4.562 1.00 0.00 O ATOM 1194 OE2 GLU A 100 -7.358 -0.507 4.540 1.00 0.00 O ATOM 0 H GLU A 100 -5.922 1.540 3.160 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.518 3.898 2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.777 3.585 5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.277 2.451 3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.283 1.635 5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.003 1.631 6.232 1.00 0.00 H new ATOM 1201 N ARG A 101 -6.269 4.924 4.861 1.00 0.00 N ATOM 1202 CA ARG A 101 -5.403 5.522 5.876 1.00 0.00 C ATOM 1203 C ARG A 101 -5.539 4.818 7.221 1.00 0.00 C ATOM 1204 O ARG A 101 -6.605 4.308 7.574 1.00 0.00 O ATOM 1205 CB ARG A 101 -5.525 7.056 5.856 1.00 0.00 C ATOM 1206 CG ARG A 101 -6.674 7.790 6.564 1.00 0.00 C ATOM 1207 CD ARG A 101 -8.110 7.303 6.328 1.00 0.00 C ATOM 1208 NE ARG A 101 -8.492 6.297 7.335 1.00 0.00 N ATOM 1209 CZ ARG A 101 -8.634 6.522 8.625 1.00 0.00 C ATOM 1210 NH1 ARG A 101 -8.895 7.700 9.106 1.00 0.00 N ATOM 1211 NH2 ARG A 101 -8.443 5.557 9.473 1.00 0.00 N ATOM 0 H ARG A 101 -6.963 5.561 4.471 1.00 0.00 H new ATOM 0 HA ARG A 101 -4.354 5.348 5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.597 7.451 6.270 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -5.559 7.355 4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.482 7.749 7.636 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.627 8.839 6.271 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.797 8.148 6.372 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -8.194 6.875 5.329 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.661 5.347 7.005 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -8.998 8.496 8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -8.997 7.829 10.113 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -8.184 4.629 9.139 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.552 5.728 10.473 1.00 0.00 H new ATOM 1225 N ASP A 102 -4.439 4.749 7.964 1.00 0.00 N ATOM 1226 CA ASP A 102 -4.332 3.948 9.185 1.00 0.00 C ATOM 1227 C ASP A 102 -3.625 4.701 10.333 1.00 0.00 C ATOM 1228 O ASP A 102 -3.727 4.301 11.493 1.00 0.00 O ATOM 1229 CB ASP A 102 -3.644 2.630 8.827 1.00 0.00 C ATOM 1230 CG ASP A 102 -3.878 1.569 9.907 1.00 0.00 C ATOM 1231 OD1 ASP A 102 -5.000 1.015 9.984 1.00 0.00 O ATOM 1232 OD2 ASP A 102 -2.932 1.291 10.673 1.00 0.00 O ATOM 0 H ASP A 102 -3.583 5.254 7.734 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.329 3.741 9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -4.022 2.268 7.871 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -2.574 2.797 8.704 1.00 0.00 H new