USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 424 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 16 TYR OH : rot 15:sc= -0.205 USER MOD Set 1.2: A 42 MET CE :methyl -107:sc= -2.55 (180deg=-5.13!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -116:sc= -3.92! (180deg=-4.71!) USER MOD Single : A 11 THR OG1 : rot 130:sc= -0.0724 USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= -0.0515 (180deg=-0.328) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00382) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 25 CYS SG : rot 180:sc= 0.179 USER MOD Single : A 27 SER OG : rot -5:sc= 0.76 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 38 ASN : amide:sc= -2.55! C(o=-2.5!,f=-13!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.68) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 43 CYS SG : rot 180:sc= -1.3 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.336 USER MOD Single : A 47 GLN : amide:sc= -0.769 X(o=-0.77,f=-1.2) USER MOD Single : A 63 SER OG : rot 180:sc= -0.709 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 2.286 5.959 -6.950 1.00 0.00 N ATOM 67 CA SER A 8 2.540 7.108 -6.089 1.00 0.00 C ATOM 68 C SER A 8 3.292 6.688 -4.830 1.00 0.00 C ATOM 69 O SER A 8 2.781 5.921 -4.013 1.00 0.00 O ATOM 70 CB SER A 8 1.223 7.787 -5.707 1.00 0.00 C ATOM 71 OG SER A 8 0.773 8.645 -6.740 1.00 0.00 O ATOM 0 HA SER A 8 3.158 7.815 -6.642 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.466 7.030 -5.503 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.358 8.358 -4.789 1.00 0.00 H new ATOM 0 HG SER A 8 -0.071 9.065 -6.472 1.00 0.00 H new ATOM 77 N THR A 9 4.512 7.196 -4.679 1.00 0.00 N ATOM 78 CA THR A 9 5.336 6.873 -3.522 1.00 0.00 C ATOM 79 C THR A 9 4.828 7.580 -2.270 1.00 0.00 C ATOM 80 O THR A 9 4.767 8.808 -2.222 1.00 0.00 O ATOM 81 CB THR A 9 6.809 7.262 -3.755 1.00 0.00 C ATOM 82 OG1 THR A 9 7.220 6.856 -5.065 1.00 0.00 O ATOM 83 CG2 THR A 9 7.710 6.618 -2.712 1.00 0.00 C ATOM 0 H THR A 9 4.950 7.833 -5.344 1.00 0.00 H new ATOM 0 HA THR A 9 5.271 5.794 -3.379 1.00 0.00 H new ATOM 0 HB THR A 9 6.895 8.345 -3.667 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.156 7.108 -5.207 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.745 6.907 -2.897 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.412 6.952 -1.718 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.620 5.533 -2.773 1.00 0.00 H new ATOM 91 N MET A 10 4.466 6.797 -1.260 1.00 0.00 N ATOM 92 CA MET A 10 3.964 7.350 -0.007 1.00 0.00 C ATOM 93 C MET A 10 4.866 6.957 1.160 1.00 0.00 C ATOM 94 O MET A 10 5.416 5.855 1.190 1.00 0.00 O ATOM 95 CB MET A 10 2.536 6.868 0.253 1.00 0.00 C ATOM 96 CG MET A 10 1.588 7.122 -0.909 1.00 0.00 C ATOM 97 SD MET A 10 0.771 8.726 -0.799 1.00 0.00 S ATOM 98 CE MET A 10 -0.613 8.328 0.265 1.00 0.00 C ATOM 0 H MET A 10 4.511 5.778 -1.284 1.00 0.00 H new ATOM 0 HA MET A 10 3.962 8.437 -0.093 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.555 5.800 0.469 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.149 7.366 1.142 1.00 0.00 H new ATOM 0 HG2 MET A 10 2.143 7.065 -1.845 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.834 6.335 -0.937 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.545 8.465 -0.283 1.00 0.00 H new ATOM 0 HE2 MET A 10 -0.534 7.291 0.592 1.00 0.00 H new ATOM 0 HE3 MET A 10 -0.604 8.985 1.135 1.00 0.00 H new ATOM 108 N THR A 11 5.013 7.864 2.120 1.00 0.00 N ATOM 109 CA THR A 11 5.848 7.613 3.287 1.00 0.00 C ATOM 110 C THR A 11 4.999 7.393 4.534 1.00 0.00 C ATOM 111 O THR A 11 4.146 8.215 4.870 1.00 0.00 O ATOM 112 CB THR A 11 6.822 8.779 3.543 1.00 0.00 C ATOM 113 OG1 THR A 11 7.722 8.917 2.437 1.00 0.00 O ATOM 114 CG2 THR A 11 7.614 8.552 4.822 1.00 0.00 C ATOM 0 H THR A 11 4.564 8.780 2.112 1.00 0.00 H new ATOM 0 HA THR A 11 6.421 6.710 3.076 1.00 0.00 H new ATOM 0 HB THR A 11 6.239 9.693 3.653 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.742 9.853 2.146 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.295 9.388 4.982 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.928 8.476 5.666 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.187 7.629 4.736 1.00 0.00 H new ATOM 122 N VAL A 12 5.238 6.279 5.218 1.00 0.00 N ATOM 123 CA VAL A 12 4.495 5.951 6.430 1.00 0.00 C ATOM 124 C VAL A 12 4.579 7.083 7.448 1.00 0.00 C ATOM 125 O VAL A 12 5.670 7.530 7.805 1.00 0.00 O ATOM 126 CB VAL A 12 5.018 4.655 7.075 1.00 0.00 C ATOM 127 CG1 VAL A 12 4.173 4.280 8.283 1.00 0.00 C ATOM 128 CG2 VAL A 12 5.039 3.524 6.058 1.00 0.00 C ATOM 0 H VAL A 12 5.940 5.588 4.954 1.00 0.00 H new ATOM 0 HA VAL A 12 3.455 5.807 6.136 1.00 0.00 H new ATOM 0 HB VAL A 12 6.039 4.827 7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.558 3.361 8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.215 5.083 9.019 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.140 4.127 7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.412 2.616 6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.029 3.351 5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.691 3.794 5.227 1.00 0.00 H new ATOM 138 N ILE A 13 3.422 7.541 7.912 1.00 0.00 N ATOM 139 CA ILE A 13 3.365 8.619 8.891 1.00 0.00 C ATOM 140 C ILE A 13 3.152 8.073 10.299 1.00 0.00 C ATOM 141 O ILE A 13 3.472 8.733 11.288 1.00 0.00 O ATOM 142 CB ILE A 13 2.238 9.617 8.564 1.00 0.00 C ATOM 143 CG1 ILE A 13 0.896 8.889 8.463 1.00 0.00 C ATOM 144 CG2 ILE A 13 2.544 10.357 7.270 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.298 9.788 8.700 1.00 0.00 C ATOM 0 H ILE A 13 2.511 7.182 7.626 1.00 0.00 H new ATOM 0 HA ILE A 13 4.323 9.137 8.846 1.00 0.00 H new ATOM 0 HB ILE A 13 2.174 10.347 9.371 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.810 8.437 7.475 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.878 8.075 9.188 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.738 11.058 7.053 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.482 10.903 7.376 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.632 9.641 6.453 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.215 9.205 8.613 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.236 10.220 9.699 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.304 10.587 7.959 1.00 0.00 H new ATOM 157 N LYS A 14 2.612 6.862 10.382 1.00 0.00 N ATOM 158 CA LYS A 14 2.359 6.224 11.668 1.00 0.00 C ATOM 159 C LYS A 14 2.634 4.725 11.596 1.00 0.00 C ATOM 160 O LYS A 14 2.481 4.107 10.542 1.00 0.00 O ATOM 161 CB LYS A 14 0.912 6.467 12.106 1.00 0.00 C ATOM 162 CG LYS A 14 0.577 7.934 12.311 1.00 0.00 C ATOM 163 CD LYS A 14 -0.854 8.118 12.787 1.00 0.00 C ATOM 164 CE LYS A 14 -0.969 7.927 14.292 1.00 0.00 C ATOM 165 NZ LYS A 14 -0.303 9.027 15.044 1.00 0.00 N ATOM 0 H LYS A 14 2.341 6.303 9.573 1.00 0.00 H new ATOM 0 HA LYS A 14 3.034 6.665 12.402 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.239 6.051 11.356 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.727 5.927 13.035 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.262 8.366 13.040 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.723 8.476 11.376 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.203 9.115 12.518 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.503 7.405 12.278 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.021 7.881 14.573 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.522 6.973 14.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.663 9.048 16.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.724 8.866 15.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.505 9.936 14.581 1.00 0.00 H new ATOM 179 N ASP A 15 3.038 4.147 12.721 1.00 0.00 N ATOM 180 CA ASP A 15 3.332 2.720 12.785 1.00 0.00 C ATOM 181 C ASP A 15 2.092 1.895 12.456 1.00 0.00 C ATOM 182 O ASP A 15 0.964 2.367 12.600 1.00 0.00 O ATOM 183 CB ASP A 15 3.854 2.347 14.174 1.00 0.00 C ATOM 184 CG ASP A 15 4.827 3.373 14.721 1.00 0.00 C ATOM 185 OD1 ASP A 15 6.007 3.348 14.314 1.00 0.00 O ATOM 186 OD2 ASP A 15 4.408 4.201 15.558 1.00 0.00 O ATOM 0 H ASP A 15 3.170 4.644 13.602 1.00 0.00 H new ATOM 0 HA ASP A 15 4.101 2.499 12.045 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.013 2.246 14.860 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.344 1.375 14.126 1.00 0.00 H new ATOM 191 N TYR A 16 2.309 0.662 12.013 1.00 0.00 N ATOM 192 CA TYR A 16 1.210 -0.228 11.659 1.00 0.00 C ATOM 193 C TYR A 16 1.661 -1.685 11.675 1.00 0.00 C ATOM 194 O TYR A 16 2.834 -1.986 11.452 1.00 0.00 O ATOM 195 CB TYR A 16 0.658 0.132 10.279 1.00 0.00 C ATOM 196 CG TYR A 16 -0.413 -0.816 9.788 1.00 0.00 C ATOM 197 CD1 TYR A 16 -1.751 -0.602 10.094 1.00 0.00 C ATOM 198 CD2 TYR A 16 -0.086 -1.926 9.019 1.00 0.00 C ATOM 199 CE1 TYR A 16 -2.733 -1.466 9.649 1.00 0.00 C ATOM 200 CE2 TYR A 16 -1.061 -2.795 8.568 1.00 0.00 C ATOM 201 CZ TYR A 16 -2.383 -2.561 8.886 1.00 0.00 C ATOM 202 OH TYR A 16 -3.358 -3.423 8.440 1.00 0.00 O ATOM 0 H TYR A 16 3.237 0.256 11.890 1.00 0.00 H new ATOM 0 HA TYR A 16 0.422 -0.103 12.402 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.249 1.142 10.313 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.478 0.144 9.561 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.028 0.255 10.690 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.948 -2.113 8.769 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.769 -1.285 9.897 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.790 -3.652 7.970 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.237 -3.002 8.539 1.00 0.00 H new ATOM 212 N TYR A 17 0.722 -2.586 11.940 1.00 0.00 N ATOM 213 CA TYR A 17 1.022 -4.012 11.987 1.00 0.00 C ATOM 214 C TYR A 17 0.135 -4.787 11.017 1.00 0.00 C ATOM 215 O TYR A 17 -1.029 -4.446 10.815 1.00 0.00 O ATOM 216 CB TYR A 17 0.833 -4.548 13.407 1.00 0.00 C ATOM 217 CG TYR A 17 1.177 -3.543 14.484 1.00 0.00 C ATOM 218 CD1 TYR A 17 2.497 -3.195 14.741 1.00 0.00 C ATOM 219 CD2 TYR A 17 0.181 -2.942 15.244 1.00 0.00 C ATOM 220 CE1 TYR A 17 2.816 -2.278 15.724 1.00 0.00 C ATOM 221 CE2 TYR A 17 0.490 -2.023 16.228 1.00 0.00 C ATOM 222 CZ TYR A 17 1.809 -1.695 16.464 1.00 0.00 C ATOM 223 OH TYR A 17 2.122 -0.780 17.444 1.00 0.00 O ATOM 0 H TYR A 17 -0.254 -2.354 12.126 1.00 0.00 H new ATOM 0 HA TYR A 17 2.062 -4.149 11.690 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.203 -4.863 13.533 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.453 -5.435 13.537 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.288 -3.649 14.162 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.852 -3.198 15.062 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.848 -2.019 15.912 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.296 -1.564 16.809 1.00 0.00 H new ATOM 0 HH TYR A 17 1.299 -0.463 17.871 1.00 0.00 H new ATOM 233 N ALA A 18 0.697 -5.834 10.420 1.00 0.00 N ATOM 234 CA ALA A 18 -0.042 -6.660 9.474 1.00 0.00 C ATOM 235 C ALA A 18 -1.041 -7.560 10.193 1.00 0.00 C ATOM 236 O ALA A 18 -0.659 -8.530 10.849 1.00 0.00 O ATOM 237 CB ALA A 18 0.919 -7.496 8.641 1.00 0.00 C ATOM 0 H ALA A 18 1.661 -6.129 10.575 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.600 -5.998 8.812 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.354 -8.108 7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.590 -6.837 8.090 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.502 -8.142 9.297 1.00 0.00 H new ATOM 243 N LEU A 19 -2.322 -7.232 10.067 1.00 0.00 N ATOM 244 CA LEU A 19 -3.377 -8.010 10.707 1.00 0.00 C ATOM 245 C LEU A 19 -3.727 -9.240 9.875 1.00 0.00 C ATOM 246 O LEU A 19 -4.208 -10.243 10.402 1.00 0.00 O ATOM 247 CB LEU A 19 -4.623 -7.147 10.910 1.00 0.00 C ATOM 248 CG LEU A 19 -4.686 -6.356 12.217 1.00 0.00 C ATOM 249 CD1 LEU A 19 -3.810 -5.115 12.133 1.00 0.00 C ATOM 250 CD2 LEU A 19 -6.123 -5.975 12.542 1.00 0.00 C ATOM 0 H LEU A 19 -2.655 -6.433 9.528 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.011 -8.343 11.678 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.693 -6.444 10.080 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.500 -7.792 10.856 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.309 -6.989 13.020 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.868 -4.565 13.072 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.777 -5.410 11.948 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.157 -4.479 11.318 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.148 -5.413 13.475 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.527 -5.361 11.737 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.724 -6.878 12.646 1.00 0.00 H new ATOM 262 N LYS A 20 -3.481 -9.156 8.572 1.00 0.00 N ATOM 263 CA LYS A 20 -3.766 -10.262 7.666 1.00 0.00 C ATOM 264 C LYS A 20 -2.476 -10.921 7.188 1.00 0.00 C ATOM 265 O LYS A 20 -1.386 -10.568 7.637 1.00 0.00 O ATOM 266 CB LYS A 20 -4.574 -9.769 6.464 1.00 0.00 C ATOM 267 CG LYS A 20 -5.956 -9.256 6.829 1.00 0.00 C ATOM 268 CD LYS A 20 -6.939 -10.397 7.031 1.00 0.00 C ATOM 269 CE LYS A 20 -7.571 -10.827 5.716 1.00 0.00 C ATOM 270 NZ LYS A 20 -8.641 -9.887 5.281 1.00 0.00 N ATOM 0 H LYS A 20 -3.084 -8.332 8.119 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.351 -11.002 8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.020 -8.973 5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.676 -10.583 5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.895 -8.661 7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.320 -8.596 6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.426 -11.245 7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.719 -10.088 7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.802 -10.884 4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.989 -11.828 5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.093 -10.251 4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.353 -9.800 6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.225 -8.953 5.088 1.00 0.00 H new ATOM 284 N GLU A 21 -2.608 -11.878 6.275 1.00 0.00 N ATOM 285 CA GLU A 21 -1.451 -12.585 5.738 1.00 0.00 C ATOM 286 C GLU A 21 -0.805 -11.789 4.607 1.00 0.00 C ATOM 287 O GLU A 21 0.410 -11.831 4.420 1.00 0.00 O ATOM 288 CB GLU A 21 -1.861 -13.970 5.232 1.00 0.00 C ATOM 289 CG GLU A 21 -2.969 -13.935 4.193 1.00 0.00 C ATOM 290 CD GLU A 21 -3.350 -15.317 3.700 1.00 0.00 C ATOM 291 OE1 GLU A 21 -3.188 -16.287 4.470 1.00 0.00 O ATOM 292 OE2 GLU A 21 -3.808 -15.430 2.544 1.00 0.00 O ATOM 0 H GLU A 21 -3.503 -12.181 5.892 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.723 -12.701 6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.989 -14.464 4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.187 -14.575 6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.847 -13.451 4.620 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.649 -13.327 3.347 1.00 0.00 H new ATOM 299 N ASN A 22 -1.628 -11.066 3.855 1.00 0.00 N ATOM 300 CA ASN A 22 -1.138 -10.261 2.741 1.00 0.00 C ATOM 301 C ASN A 22 -0.530 -8.954 3.241 1.00 0.00 C ATOM 302 O ASN A 22 0.403 -8.423 2.639 1.00 0.00 O ATOM 303 CB ASN A 22 -2.274 -9.966 1.760 1.00 0.00 C ATOM 304 CG ASN A 22 -2.394 -11.024 0.680 1.00 0.00 C ATOM 305 OD1 ASN A 22 -2.869 -12.132 0.932 1.00 0.00 O ATOM 306 ND2 ASN A 22 -1.964 -10.687 -0.530 1.00 0.00 N ATOM 0 H ASN A 22 -2.637 -11.021 3.996 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.362 -10.829 2.228 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.215 -9.900 2.307 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.107 -8.994 1.296 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.020 -11.358 -1.296 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.578 -9.757 -0.693 1.00 0.00 H new ATOM 313 N GLU A 23 -1.065 -8.443 4.345 1.00 0.00 N ATOM 314 CA GLU A 23 -0.575 -7.198 4.925 1.00 0.00 C ATOM 315 C GLU A 23 0.835 -7.375 5.481 1.00 0.00 C ATOM 316 O GLU A 23 1.240 -8.483 5.833 1.00 0.00 O ATOM 317 CB GLU A 23 -1.516 -6.720 6.033 1.00 0.00 C ATOM 318 CG GLU A 23 -2.878 -6.276 5.525 1.00 0.00 C ATOM 319 CD GLU A 23 -3.896 -6.130 6.640 1.00 0.00 C ATOM 320 OE1 GLU A 23 -3.589 -6.533 7.781 1.00 0.00 O ATOM 321 OE2 GLU A 23 -5.000 -5.613 6.369 1.00 0.00 O ATOM 0 H GLU A 23 -1.837 -8.871 4.855 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.544 -6.447 4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.652 -7.525 6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.048 -5.891 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.775 -5.324 5.005 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.244 -6.999 4.796 1.00 0.00 H new ATOM 328 N ILE A 24 1.577 -6.275 5.555 1.00 0.00 N ATOM 329 CA ILE A 24 2.941 -6.308 6.068 1.00 0.00 C ATOM 330 C ILE A 24 3.137 -5.277 7.175 1.00 0.00 C ATOM 331 O ILE A 24 2.440 -4.263 7.223 1.00 0.00 O ATOM 332 CB ILE A 24 3.969 -6.049 4.952 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.833 -4.618 4.426 1.00 0.00 C ATOM 334 CG2 ILE A 24 3.791 -7.053 3.823 1.00 0.00 C ATOM 335 CD1 ILE A 24 4.991 -4.182 3.555 1.00 0.00 C ATOM 0 H ILE A 24 1.257 -5.351 5.266 1.00 0.00 H new ATOM 0 HA ILE A 24 3.102 -7.307 6.473 1.00 0.00 H new ATOM 0 HB ILE A 24 4.970 -6.171 5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.908 -4.536 3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.747 -3.935 5.271 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.525 -6.856 3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.933 -8.063 4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.787 -6.960 3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.828 -3.158 3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.917 -4.232 4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.064 -4.841 2.690 1.00 0.00 H new ATOM 347 N CYS A 25 4.091 -5.542 8.060 1.00 0.00 N ATOM 348 CA CYS A 25 4.381 -4.637 9.166 1.00 0.00 C ATOM 349 C CYS A 25 5.253 -3.474 8.703 1.00 0.00 C ATOM 350 O CYS A 25 6.159 -3.650 7.888 1.00 0.00 O ATOM 351 CB CYS A 25 5.076 -5.390 10.301 1.00 0.00 C ATOM 352 SG CYS A 25 4.123 -6.780 10.957 1.00 0.00 S ATOM 0 H CYS A 25 4.677 -6.376 8.033 1.00 0.00 H new ATOM 0 HA CYS A 25 3.436 -4.236 9.531 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.037 -5.759 9.943 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.285 -4.692 11.112 1.00 0.00 H new ATOM 0 HG CYS A 25 4.794 -7.355 11.910 1.00 0.00 H new ATOM 358 N VAL A 26 4.971 -2.285 9.227 1.00 0.00 N ATOM 359 CA VAL A 26 5.729 -1.092 8.867 1.00 0.00 C ATOM 360 C VAL A 26 5.851 -0.140 10.051 1.00 0.00 C ATOM 361 O VAL A 26 5.225 -0.344 11.091 1.00 0.00 O ATOM 362 CB VAL A 26 5.076 -0.347 7.688 1.00 0.00 C ATOM 363 CG1 VAL A 26 4.877 -1.285 6.507 1.00 0.00 C ATOM 364 CG2 VAL A 26 3.753 0.272 8.117 1.00 0.00 C ATOM 0 H VAL A 26 4.224 -2.122 9.902 1.00 0.00 H new ATOM 0 HA VAL A 26 6.723 -1.426 8.570 1.00 0.00 H new ATOM 0 HB VAL A 26 5.743 0.456 7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.414 -0.740 5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.843 -1.676 6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.231 -2.111 6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.305 0.795 7.272 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.078 -0.513 8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.928 0.978 8.929 1.00 0.00 H new ATOM 374 N SER A 27 6.661 0.900 9.886 1.00 0.00 N ATOM 375 CA SER A 27 6.868 1.883 10.943 1.00 0.00 C ATOM 376 C SER A 27 6.843 3.300 10.380 1.00 0.00 C ATOM 377 O SER A 27 6.977 3.502 9.173 1.00 0.00 O ATOM 378 CB SER A 27 8.200 1.628 11.652 1.00 0.00 C ATOM 379 OG SER A 27 8.144 2.041 13.007 1.00 0.00 O ATOM 0 H SER A 27 7.185 1.084 9.030 1.00 0.00 H new ATOM 0 HA SER A 27 6.056 1.782 11.663 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.445 0.567 11.602 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.998 2.164 11.138 1.00 0.00 H new ATOM 0 HG SER A 27 7.287 2.484 13.179 1.00 0.00 H new ATOM 385 N GLN A 28 6.670 4.279 11.263 1.00 0.00 N ATOM 386 CA GLN A 28 6.626 5.677 10.854 1.00 0.00 C ATOM 387 C GLN A 28 7.940 6.096 10.202 1.00 0.00 C ATOM 388 O GLN A 28 8.968 6.205 10.869 1.00 0.00 O ATOM 389 CB GLN A 28 6.332 6.574 12.058 1.00 0.00 C ATOM 390 CG GLN A 28 6.802 8.008 11.878 1.00 0.00 C ATOM 391 CD GLN A 28 6.477 8.883 13.072 1.00 0.00 C ATOM 392 OE1 GLN A 28 6.589 8.452 14.221 1.00 0.00 O ATOM 393 NE2 GLN A 28 6.073 10.120 12.808 1.00 0.00 N ATOM 0 H GLN A 28 6.558 4.129 12.266 1.00 0.00 H new ATOM 0 HA GLN A 28 5.826 5.789 10.122 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.259 6.573 12.247 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.812 6.151 12.941 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.879 8.015 11.710 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.337 8.429 10.986 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.994 10.435 11.841 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.841 10.755 13.572 1.00 0.00 H new ATOM 402 N GLY A 29 7.899 6.328 8.894 1.00 0.00 N ATOM 403 CA GLY A 29 9.093 6.731 8.174 1.00 0.00 C ATOM 404 C GLY A 29 9.310 5.921 6.911 1.00 0.00 C ATOM 405 O GLY A 29 9.738 6.457 5.890 1.00 0.00 O ATOM 0 H GLY A 29 7.060 6.244 8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.019 7.787 7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.960 6.622 8.825 1.00 0.00 H new ATOM 409 N GLU A 30 9.014 4.627 6.982 1.00 0.00 N ATOM 410 CA GLU A 30 9.183 3.742 5.835 1.00 0.00 C ATOM 411 C GLU A 30 8.583 4.363 4.577 1.00 0.00 C ATOM 412 O GLU A 30 7.636 5.146 4.647 1.00 0.00 O ATOM 413 CB GLU A 30 8.529 2.386 6.110 1.00 0.00 C ATOM 414 CG GLU A 30 9.354 1.484 7.013 1.00 0.00 C ATOM 415 CD GLU A 30 8.637 0.194 7.361 1.00 0.00 C ATOM 416 OE1 GLU A 30 7.846 -0.289 6.524 1.00 0.00 O ATOM 417 OE2 GLU A 30 8.866 -0.331 8.470 1.00 0.00 O ATOM 0 H GLU A 30 8.657 4.169 7.820 1.00 0.00 H new ATOM 0 HA GLU A 30 10.251 3.596 5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.553 2.549 6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.356 1.877 5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.298 1.249 6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.597 2.019 7.931 1.00 0.00 H new ATOM 424 N VAL A 31 9.143 4.007 3.425 1.00 0.00 N ATOM 425 CA VAL A 31 8.665 4.528 2.149 1.00 0.00 C ATOM 426 C VAL A 31 8.329 3.396 1.185 1.00 0.00 C ATOM 427 O VAL A 31 9.202 2.624 0.788 1.00 0.00 O ATOM 428 CB VAL A 31 9.707 5.454 1.495 1.00 0.00 C ATOM 429 CG1 VAL A 31 9.181 6.003 0.177 1.00 0.00 C ATOM 430 CG2 VAL A 31 10.084 6.584 2.440 1.00 0.00 C ATOM 0 H VAL A 31 9.928 3.360 3.349 1.00 0.00 H new ATOM 0 HA VAL A 31 7.762 5.102 2.359 1.00 0.00 H new ATOM 0 HB VAL A 31 10.604 4.872 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.931 6.655 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.967 5.177 -0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.268 6.570 0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.821 7.228 1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.196 7.167 2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.506 6.168 3.355 1.00 0.00 H new ATOM 440 N VAL A 32 7.057 3.303 0.810 1.00 0.00 N ATOM 441 CA VAL A 32 6.605 2.266 -0.110 1.00 0.00 C ATOM 442 C VAL A 32 5.988 2.875 -1.364 1.00 0.00 C ATOM 443 O VAL A 32 5.975 4.094 -1.531 1.00 0.00 O ATOM 444 CB VAL A 32 5.574 1.335 0.556 1.00 0.00 C ATOM 445 CG1 VAL A 32 6.199 0.602 1.733 1.00 0.00 C ATOM 446 CG2 VAL A 32 4.351 2.125 0.997 1.00 0.00 C ATOM 0 H VAL A 32 6.321 3.933 1.129 1.00 0.00 H new ATOM 0 HA VAL A 32 7.484 1.684 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 32 5.254 0.592 -0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.456 -0.051 2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.041 0.005 1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.548 1.326 2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.633 1.452 1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.651 2.891 1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.892 2.599 0.130 1.00 0.00 H new ATOM 456 N GLN A 33 5.478 2.018 -2.242 1.00 0.00 N ATOM 457 CA GLN A 33 4.859 2.472 -3.482 1.00 0.00 C ATOM 458 C GLN A 33 3.480 1.848 -3.662 1.00 0.00 C ATOM 459 O GLN A 33 3.347 0.628 -3.764 1.00 0.00 O ATOM 460 CB GLN A 33 5.749 2.127 -4.677 1.00 0.00 C ATOM 461 CG GLN A 33 6.797 3.185 -4.981 1.00 0.00 C ATOM 462 CD GLN A 33 7.962 2.639 -5.783 1.00 0.00 C ATOM 463 OE1 GLN A 33 7.801 1.719 -6.586 1.00 0.00 O ATOM 464 NE2 GLN A 33 9.145 3.204 -5.570 1.00 0.00 N ATOM 0 H GLN A 33 5.481 1.006 -2.118 1.00 0.00 H new ATOM 0 HA GLN A 33 4.743 3.554 -3.426 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.249 1.177 -4.485 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.122 1.985 -5.557 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.333 4.003 -5.532 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.169 3.602 -4.045 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.233 3.964 -4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.965 2.878 -6.081 1.00 0.00 H new ATOM 473 N VAL A 34 2.454 2.692 -3.702 1.00 0.00 N ATOM 474 CA VAL A 34 1.084 2.223 -3.871 1.00 0.00 C ATOM 475 C VAL A 34 0.892 1.564 -5.233 1.00 0.00 C ATOM 476 O VAL A 34 1.487 1.984 -6.226 1.00 0.00 O ATOM 477 CB VAL A 34 0.073 3.376 -3.724 1.00 0.00 C ATOM 478 CG1 VAL A 34 -1.344 2.878 -3.962 1.00 0.00 C ATOM 479 CG2 VAL A 34 0.197 4.020 -2.352 1.00 0.00 C ATOM 0 H VAL A 34 2.546 3.705 -3.620 1.00 0.00 H new ATOM 0 HA VAL A 34 0.903 1.488 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 34 0.298 4.131 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.044 3.707 -3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.421 2.467 -4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.584 2.103 -3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.524 4.833 -2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.001 3.275 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.205 4.415 -2.225 1.00 0.00 H new ATOM 489 N LEU A 35 0.058 0.531 -5.272 1.00 0.00 N ATOM 490 CA LEU A 35 -0.213 -0.186 -6.513 1.00 0.00 C ATOM 491 C LEU A 35 -1.700 -0.152 -6.848 1.00 0.00 C ATOM 492 O LEU A 35 -2.082 -0.052 -8.014 1.00 0.00 O ATOM 493 CB LEU A 35 0.263 -1.636 -6.402 1.00 0.00 C ATOM 494 CG LEU A 35 1.743 -1.833 -6.073 1.00 0.00 C ATOM 495 CD1 LEU A 35 2.123 -3.302 -6.181 1.00 0.00 C ATOM 496 CD2 LEU A 35 2.611 -0.987 -6.993 1.00 0.00 C ATOM 0 H LEU A 35 -0.442 0.171 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 35 0.333 0.309 -7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.329 -2.134 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.051 -2.140 -7.345 1.00 0.00 H new ATOM 0 HG LEU A 35 1.913 -1.509 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.180 -3.423 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.525 -3.885 -5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.937 -3.652 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.661 -1.140 -6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.437 -1.280 -8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.358 0.066 -6.866 1.00 0.00 H new ATOM 508 N ALA A 36 -2.536 -0.233 -5.817 1.00 0.00 N ATOM 509 CA ALA A 36 -3.981 -0.207 -6.002 1.00 0.00 C ATOM 510 C ALA A 36 -4.705 -0.162 -4.661 1.00 0.00 C ATOM 511 O ALA A 36 -4.075 -0.102 -3.605 1.00 0.00 O ATOM 512 CB ALA A 36 -4.433 -1.416 -6.808 1.00 0.00 C ATOM 0 H ALA A 36 -2.236 -0.317 -4.846 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.235 0.698 -6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.515 -1.383 -6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.950 -1.403 -7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.159 -2.329 -6.279 1.00 0.00 H new ATOM 518 N VAL A 37 -6.034 -0.192 -4.709 1.00 0.00 N ATOM 519 CA VAL A 37 -6.844 -0.155 -3.497 1.00 0.00 C ATOM 520 C VAL A 37 -7.922 -1.232 -3.525 1.00 0.00 C ATOM 521 O VAL A 37 -8.541 -1.478 -4.559 1.00 0.00 O ATOM 522 CB VAL A 37 -7.511 1.220 -3.310 1.00 0.00 C ATOM 523 CG1 VAL A 37 -8.460 1.196 -2.121 1.00 0.00 C ATOM 524 CG2 VAL A 37 -6.457 2.305 -3.140 1.00 0.00 C ATOM 0 H VAL A 37 -6.572 -0.242 -5.574 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.171 -0.340 -2.660 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.092 1.447 -4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.922 2.176 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.234 0.447 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.904 0.947 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.946 3.270 -3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.847 2.086 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.822 2.337 -4.025 1.00 0.00 H new ATOM 534 N ASN A 38 -8.143 -1.870 -2.380 1.00 0.00 N ATOM 535 CA ASN A 38 -9.148 -2.921 -2.272 1.00 0.00 C ATOM 536 C ASN A 38 -10.387 -2.416 -1.540 1.00 0.00 C ATOM 537 O ASN A 38 -10.409 -1.292 -1.041 1.00 0.00 O ATOM 538 CB ASN A 38 -8.570 -4.135 -1.542 1.00 0.00 C ATOM 539 CG ASN A 38 -8.389 -3.885 -0.058 1.00 0.00 C ATOM 540 OD1 ASN A 38 -8.808 -2.852 0.465 1.00 0.00 O ATOM 541 ND2 ASN A 38 -7.762 -4.833 0.630 1.00 0.00 N ATOM 0 H ASN A 38 -7.640 -1.677 -1.514 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.439 -3.216 -3.280 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.230 -4.990 -1.686 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.608 -4.397 -1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.611 -4.721 1.633 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.431 -5.673 0.156 1.00 0.00 H new ATOM 548 N GLN A 39 -11.416 -3.256 -1.480 1.00 0.00 N ATOM 549 CA GLN A 39 -12.659 -2.894 -0.809 1.00 0.00 C ATOM 550 C GLN A 39 -12.446 -2.762 0.696 1.00 0.00 C ATOM 551 O GLN A 39 -13.247 -2.139 1.392 1.00 0.00 O ATOM 552 CB GLN A 39 -13.739 -3.938 -1.093 1.00 0.00 C ATOM 553 CG GLN A 39 -13.888 -4.274 -2.569 1.00 0.00 C ATOM 554 CD GLN A 39 -14.856 -3.351 -3.282 1.00 0.00 C ATOM 555 OE1 GLN A 39 -16.064 -3.400 -3.050 1.00 0.00 O ATOM 556 NE2 GLN A 39 -14.330 -2.502 -4.157 1.00 0.00 N ATOM 0 H GLN A 39 -11.413 -4.191 -1.888 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.985 -1.929 -1.198 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.505 -4.850 -0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -14.694 -3.573 -0.714 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.913 -4.214 -3.052 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.232 -5.303 -2.671 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.323 -2.495 -4.319 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.933 -1.857 -4.667 1.00 0.00 H new ATOM 565 N GLN A 40 -11.363 -3.354 1.190 1.00 0.00 N ATOM 566 CA GLN A 40 -11.047 -3.302 2.612 1.00 0.00 C ATOM 567 C GLN A 40 -10.472 -1.942 2.993 1.00 0.00 C ATOM 568 O GLN A 40 -10.006 -1.747 4.115 1.00 0.00 O ATOM 569 CB GLN A 40 -10.055 -4.409 2.976 1.00 0.00 C ATOM 570 CG GLN A 40 -10.177 -4.886 4.414 1.00 0.00 C ATOM 571 CD GLN A 40 -11.598 -5.259 4.788 1.00 0.00 C ATOM 572 OE1 GLN A 40 -12.326 -4.462 5.379 1.00 0.00 O ATOM 573 NE2 GLN A 40 -12.000 -6.477 4.443 1.00 0.00 N ATOM 0 H GLN A 40 -10.691 -3.875 0.627 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.971 -3.454 3.170 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.207 -5.256 2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.041 -4.047 2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.528 -5.749 4.562 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.823 -4.102 5.084 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.362 -7.105 3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.946 -6.784 4.667 1.00 0.00 H new ATOM 582 N ASN A 41 -10.507 -1.005 2.051 1.00 0.00 N ATOM 583 CA ASN A 41 -9.988 0.337 2.289 1.00 0.00 C ATOM 584 C ASN A 41 -8.476 0.308 2.490 1.00 0.00 C ATOM 585 O ASN A 41 -7.922 1.120 3.231 1.00 0.00 O ATOM 586 CB ASN A 41 -10.665 0.959 3.512 1.00 0.00 C ATOM 587 CG ASN A 41 -12.177 0.958 3.399 1.00 0.00 C ATOM 588 OD1 ASN A 41 -12.731 1.209 2.329 1.00 0.00 O ATOM 589 ND2 ASN A 41 -12.852 0.674 4.507 1.00 0.00 N ATOM 0 H ASN A 41 -10.889 -1.150 1.116 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.208 0.945 1.412 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.370 0.409 4.406 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.313 1.983 3.637 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.872 0.658 4.493 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.351 0.472 5.372 1.00 0.00 H new ATOM 596 N MET A 42 -7.814 -0.633 1.824 1.00 0.00 N ATOM 597 CA MET A 42 -6.365 -0.767 1.929 1.00 0.00 C ATOM 598 C MET A 42 -5.685 -0.340 0.632 1.00 0.00 C ATOM 599 O MET A 42 -6.338 -0.187 -0.401 1.00 0.00 O ATOM 600 CB MET A 42 -5.988 -2.211 2.265 1.00 0.00 C ATOM 601 CG MET A 42 -6.434 -2.649 3.650 1.00 0.00 C ATOM 602 SD MET A 42 -5.569 -1.772 4.967 1.00 0.00 S ATOM 603 CE MET A 42 -4.234 -2.914 5.315 1.00 0.00 C ATOM 0 H MET A 42 -8.257 -1.313 1.207 1.00 0.00 H new ATOM 0 HA MET A 42 -6.021 -0.114 2.731 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.430 -2.875 1.523 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.906 -2.323 2.188 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.507 -2.483 3.752 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.265 -3.720 3.760 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.420 -3.412 6.267 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.176 -3.659 4.521 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.292 -2.367 5.369 1.00 0.00 H new ATOM 613 N CYS A 43 -4.372 -0.147 0.694 1.00 0.00 N ATOM 614 CA CYS A 43 -3.604 0.264 -0.476 1.00 0.00 C ATOM 615 C CYS A 43 -2.417 -0.667 -0.701 1.00 0.00 C ATOM 616 O CYS A 43 -1.452 -0.657 0.064 1.00 0.00 O ATOM 617 CB CYS A 43 -3.114 1.703 -0.310 1.00 0.00 C ATOM 618 SG CYS A 43 -4.440 2.931 -0.245 1.00 0.00 S ATOM 0 H CYS A 43 -3.817 -0.268 1.541 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.257 0.208 -1.347 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.525 1.772 0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.448 1.947 -1.138 1.00 0.00 H new ATOM 0 HG CYS A 43 -3.927 4.117 -0.101 1.00 0.00 H new ATOM 624 N LEU A 44 -2.495 -1.472 -1.756 1.00 0.00 N ATOM 625 CA LEU A 44 -1.428 -2.411 -2.082 1.00 0.00 C ATOM 626 C LEU A 44 -0.114 -1.677 -2.331 1.00 0.00 C ATOM 627 O LEU A 44 0.137 -1.188 -3.433 1.00 0.00 O ATOM 628 CB LEU A 44 -1.806 -3.236 -3.313 1.00 0.00 C ATOM 629 CG LEU A 44 -0.765 -4.250 -3.788 1.00 0.00 C ATOM 630 CD1 LEU A 44 -0.468 -5.262 -2.692 1.00 0.00 C ATOM 631 CD2 LEU A 44 -1.242 -4.953 -5.051 1.00 0.00 C ATOM 0 H LEU A 44 -3.286 -1.493 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.294 -3.080 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.732 -3.770 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.017 -2.551 -4.134 1.00 0.00 H new ATOM 0 HG LEU A 44 0.156 -3.715 -4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.275 -5.976 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.083 -4.744 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.383 -5.792 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.488 -5.671 -5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.176 -5.475 -4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.403 -4.217 -5.838 1.00 0.00 H new ATOM 643 N VAL A 45 0.723 -1.606 -1.301 1.00 0.00 N ATOM 644 CA VAL A 45 2.013 -0.935 -1.409 1.00 0.00 C ATOM 645 C VAL A 45 3.154 -1.945 -1.472 1.00 0.00 C ATOM 646 O VAL A 45 3.155 -2.942 -0.750 1.00 0.00 O ATOM 647 CB VAL A 45 2.251 0.018 -0.223 1.00 0.00 C ATOM 648 CG1 VAL A 45 1.338 1.230 -0.320 1.00 0.00 C ATOM 649 CG2 VAL A 45 2.043 -0.711 1.096 1.00 0.00 C ATOM 0 H VAL A 45 0.531 -2.005 -0.382 1.00 0.00 H new ATOM 0 HA VAL A 45 1.992 -0.356 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 45 3.283 0.366 -0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.521 1.892 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.540 1.764 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.298 0.904 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.215 -0.023 1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.022 -1.089 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.742 -1.544 1.166 1.00 0.00 H new ATOM 659 N TYR A 46 4.123 -1.680 -2.341 1.00 0.00 N ATOM 660 CA TYR A 46 5.270 -2.566 -2.501 1.00 0.00 C ATOM 661 C TYR A 46 6.435 -2.111 -1.627 1.00 0.00 C ATOM 662 O TYR A 46 7.009 -1.045 -1.846 1.00 0.00 O ATOM 663 CB TYR A 46 5.704 -2.613 -3.966 1.00 0.00 C ATOM 664 CG TYR A 46 6.911 -3.491 -4.213 1.00 0.00 C ATOM 665 CD1 TYR A 46 8.182 -3.080 -3.833 1.00 0.00 C ATOM 666 CD2 TYR A 46 6.778 -4.732 -4.824 1.00 0.00 C ATOM 667 CE1 TYR A 46 9.287 -3.879 -4.057 1.00 0.00 C ATOM 668 CE2 TYR A 46 7.877 -5.538 -5.050 1.00 0.00 C ATOM 669 CZ TYR A 46 9.129 -5.107 -4.665 1.00 0.00 C ATOM 670 OH TYR A 46 10.227 -5.906 -4.889 1.00 0.00 O ATOM 0 H TYR A 46 4.137 -0.859 -2.946 1.00 0.00 H new ATOM 0 HA TYR A 46 4.972 -3.566 -2.186 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.872 -2.974 -4.571 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.927 -1.601 -4.303 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.309 -2.120 -3.355 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.799 -5.072 -5.127 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.269 -3.544 -3.758 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.756 -6.500 -5.525 1.00 0.00 H new ATOM 0 HH TYR A 46 9.944 -6.737 -5.324 1.00 0.00 H new ATOM 680 N GLN A 47 6.779 -2.930 -0.638 1.00 0.00 N ATOM 681 CA GLN A 47 7.875 -2.613 0.269 1.00 0.00 C ATOM 682 C GLN A 47 9.187 -3.205 -0.235 1.00 0.00 C ATOM 683 O GLN A 47 9.369 -4.422 -0.282 1.00 0.00 O ATOM 684 CB GLN A 47 7.572 -3.137 1.674 1.00 0.00 C ATOM 685 CG GLN A 47 8.816 -3.435 2.494 1.00 0.00 C ATOM 686 CD GLN A 47 8.491 -3.870 3.910 1.00 0.00 C ATOM 687 OE1 GLN A 47 8.201 -5.040 4.161 1.00 0.00 O ATOM 688 NE2 GLN A 47 8.539 -2.928 4.844 1.00 0.00 N ATOM 0 H GLN A 47 6.315 -3.817 -0.445 1.00 0.00 H new ATOM 0 HA GLN A 47 7.978 -1.529 0.308 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.965 -2.402 2.204 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.974 -4.045 1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.393 -4.217 2.001 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.447 -2.547 2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.784 -1.971 4.591 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.331 -3.161 5.815 1.00 0.00 H new ATOM 697 N PRO A 48 10.124 -2.327 -0.621 1.00 0.00 N ATOM 698 CA PRO A 48 11.436 -2.740 -1.128 1.00 0.00 C ATOM 699 C PRO A 48 12.314 -3.347 -0.039 1.00 0.00 C ATOM 700 O PRO A 48 12.025 -3.214 1.150 1.00 0.00 O ATOM 701 CB PRO A 48 12.046 -1.433 -1.641 1.00 0.00 C ATOM 702 CG PRO A 48 11.371 -0.365 -0.852 1.00 0.00 C ATOM 703 CD PRO A 48 9.976 -0.862 -0.592 1.00 0.00 C ATOM 0 HA PRO A 48 11.353 -3.515 -1.890 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.125 -1.414 -1.491 1.00 0.00 H new ATOM 0 HB3 PRO A 48 11.871 -1.307 -2.709 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.899 -0.177 0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.354 0.576 -1.403 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.599 -0.515 0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.277 -0.514 -1.353 1.00 0.00 H new ATOM 711 N ALA A 49 13.387 -4.013 -0.453 1.00 0.00 N ATOM 712 CA ALA A 49 14.308 -4.638 0.488 1.00 0.00 C ATOM 713 C ALA A 49 14.705 -3.667 1.595 1.00 0.00 C ATOM 714 O ALA A 49 15.235 -2.588 1.327 1.00 0.00 O ATOM 715 CB ALA A 49 15.544 -5.144 -0.241 1.00 0.00 C ATOM 0 H ALA A 49 13.640 -4.134 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 49 13.799 -5.485 0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.223 -5.608 0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.249 -5.878 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.046 -4.309 -0.729 1.00 0.00 H new ATOM 787 N ALA A 55 12.283 -7.248 0.243 1.00 0.00 N ATOM 788 CA ALA A 55 11.402 -6.735 -0.799 1.00 0.00 C ATOM 789 C ALA A 55 10.138 -7.580 -0.914 1.00 0.00 C ATOM 790 O ALA A 55 10.157 -8.666 -1.494 1.00 0.00 O ATOM 791 CB ALA A 55 12.133 -6.689 -2.132 1.00 0.00 C ATOM 0 HA ALA A 55 11.106 -5.722 -0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.463 -6.304 -2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.002 -6.037 -2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.458 -7.693 -2.404 1.00 0.00 H new ATOM 797 N ALA A 56 9.042 -7.076 -0.358 1.00 0.00 N ATOM 798 CA ALA A 56 7.769 -7.785 -0.400 1.00 0.00 C ATOM 799 C ALA A 56 6.608 -6.817 -0.603 1.00 0.00 C ATOM 800 O ALA A 56 6.714 -5.632 -0.288 1.00 0.00 O ATOM 801 CB ALA A 56 7.571 -8.590 0.876 1.00 0.00 C ATOM 0 H ALA A 56 9.010 -6.179 0.127 1.00 0.00 H new ATOM 0 HA ALA A 56 7.790 -8.469 -1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.616 -9.114 0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.379 -9.315 0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.576 -7.918 1.734 1.00 0.00 H new ATOM 807 N GLU A 57 5.501 -7.330 -1.130 1.00 0.00 N ATOM 808 CA GLU A 57 4.321 -6.509 -1.376 1.00 0.00 C ATOM 809 C GLU A 57 3.262 -6.743 -0.302 1.00 0.00 C ATOM 810 O GLU A 57 2.823 -7.872 -0.084 1.00 0.00 O ATOM 811 CB GLU A 57 3.739 -6.815 -2.757 1.00 0.00 C ATOM 812 CG GLU A 57 3.040 -5.628 -3.399 1.00 0.00 C ATOM 813 CD GLU A 57 2.517 -5.940 -4.788 1.00 0.00 C ATOM 814 OE1 GLU A 57 1.364 -6.408 -4.897 1.00 0.00 O ATOM 815 OE2 GLU A 57 3.261 -5.716 -5.766 1.00 0.00 O ATOM 0 H GLU A 57 5.396 -8.309 -1.395 1.00 0.00 H new ATOM 0 HA GLU A 57 4.624 -5.463 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.541 -7.152 -3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.031 -7.639 -2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.211 -5.313 -2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.734 -4.790 -3.456 1.00 0.00 H new ATOM 822 N GLY A 58 2.857 -5.667 0.366 1.00 0.00 N ATOM 823 CA GLY A 58 1.854 -5.776 1.409 1.00 0.00 C ATOM 824 C GLY A 58 0.852 -4.639 1.370 1.00 0.00 C ATOM 825 O GLY A 58 1.134 -3.573 0.825 1.00 0.00 O ATOM 0 H GLY A 58 3.206 -4.722 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.327 -6.724 1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.346 -5.790 2.382 1.00 0.00 H new ATOM 829 N TRP A 59 -0.322 -4.868 1.948 1.00 0.00 N ATOM 830 CA TRP A 59 -1.370 -3.854 1.976 1.00 0.00 C ATOM 831 C TRP A 59 -1.272 -3.004 3.238 1.00 0.00 C ATOM 832 O TRP A 59 -0.960 -3.510 4.316 1.00 0.00 O ATOM 833 CB TRP A 59 -2.748 -4.514 1.896 1.00 0.00 C ATOM 834 CG TRP A 59 -3.021 -5.160 0.572 1.00 0.00 C ATOM 835 CD1 TRP A 59 -2.563 -6.373 0.142 1.00 0.00 C ATOM 836 CD2 TRP A 59 -3.812 -4.627 -0.496 1.00 0.00 C ATOM 837 NE1 TRP A 59 -3.022 -6.626 -1.128 1.00 0.00 N ATOM 838 CE2 TRP A 59 -3.791 -5.571 -1.541 1.00 0.00 C ATOM 839 CE3 TRP A 59 -4.538 -3.445 -0.669 1.00 0.00 C ATOM 840 CZ2 TRP A 59 -4.467 -5.367 -2.741 1.00 0.00 C ATOM 841 CZ3 TRP A 59 -5.208 -3.244 -1.861 1.00 0.00 C ATOM 842 CH2 TRP A 59 -5.170 -4.201 -2.884 1.00 0.00 C ATOM 0 H TRP A 59 -0.572 -5.746 2.403 1.00 0.00 H new ATOM 0 HA TRP A 59 -1.235 -3.204 1.112 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.830 -5.265 2.682 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.514 -3.764 2.091 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.933 -7.036 0.716 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.822 -7.464 -1.675 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.575 -2.703 0.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.438 -6.103 -3.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.771 -2.334 -2.007 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.706 -4.015 -3.803 1.00 0.00 H new ATOM 853 N VAL A 60 -1.541 -1.710 3.097 1.00 0.00 N ATOM 854 CA VAL A 60 -1.485 -0.790 4.227 1.00 0.00 C ATOM 855 C VAL A 60 -2.610 0.236 4.157 1.00 0.00 C ATOM 856 O VAL A 60 -3.055 0.634 3.080 1.00 0.00 O ATOM 857 CB VAL A 60 -0.134 -0.052 4.283 1.00 0.00 C ATOM 858 CG1 VAL A 60 1.017 -1.046 4.326 1.00 0.00 C ATOM 859 CG2 VAL A 60 0.008 0.889 3.096 1.00 0.00 C ATOM 0 H VAL A 60 -1.800 -1.275 2.211 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.601 -1.390 5.130 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.103 0.543 5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.963 -0.506 4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.921 -1.675 5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.992 -1.670 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.968 1.402 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.045 0.317 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.797 1.623 3.115 1.00 0.00 H new ATOM 869 N PRO A 61 -3.083 0.677 5.332 1.00 0.00 N ATOM 870 CA PRO A 61 -4.162 1.665 5.431 1.00 0.00 C ATOM 871 C PRO A 61 -3.722 3.052 4.976 1.00 0.00 C ATOM 872 O PRO A 61 -2.862 3.676 5.597 1.00 0.00 O ATOM 873 CB PRO A 61 -4.498 1.673 6.924 1.00 0.00 C ATOM 874 CG PRO A 61 -3.248 1.222 7.597 1.00 0.00 C ATOM 875 CD PRO A 61 -2.599 0.246 6.655 1.00 0.00 C ATOM 0 HA PRO A 61 -5.007 1.412 4.791 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.790 2.668 7.258 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.330 1.005 7.146 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.588 2.065 7.800 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.469 0.752 8.555 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.512 0.288 6.719 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.892 -0.781 6.875 1.00 0.00 H new ATOM 883 N GLY A 62 -4.318 3.529 3.888 1.00 0.00 N ATOM 884 CA GLY A 62 -3.974 4.840 3.368 1.00 0.00 C ATOM 885 C GLY A 62 -3.940 5.902 4.450 1.00 0.00 C ATOM 886 O GLY A 62 -3.345 6.964 4.269 1.00 0.00 O ATOM 0 H GLY A 62 -5.033 3.031 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.000 4.790 2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.698 5.126 2.605 1.00 0.00 H new ATOM 890 N SER A 63 -4.583 5.616 5.578 1.00 0.00 N ATOM 891 CA SER A 63 -4.630 6.556 6.691 1.00 0.00 C ATOM 892 C SER A 63 -3.222 6.928 7.147 1.00 0.00 C ATOM 893 O SER A 63 -2.943 8.087 7.453 1.00 0.00 O ATOM 894 CB SER A 63 -5.415 5.958 7.860 1.00 0.00 C ATOM 895 OG SER A 63 -4.860 4.720 8.267 1.00 0.00 O ATOM 0 H SER A 63 -5.079 4.740 5.745 1.00 0.00 H new ATOM 0 HA SER A 63 -5.134 7.460 6.349 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.412 6.655 8.698 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.455 5.815 7.568 1.00 0.00 H new ATOM 0 HG SER A 63 -5.379 4.360 9.016 1.00 0.00 H new ATOM 901 N ILE A 64 -2.339 5.936 7.190 1.00 0.00 N ATOM 902 CA ILE A 64 -0.961 6.157 7.607 1.00 0.00 C ATOM 903 C ILE A 64 -0.058 6.416 6.406 1.00 0.00 C ATOM 904 O ILE A 64 1.168 6.354 6.512 1.00 0.00 O ATOM 905 CB ILE A 64 -0.412 4.955 8.398 1.00 0.00 C ATOM 906 CG1 ILE A 64 -0.187 3.763 7.466 1.00 0.00 C ATOM 907 CG2 ILE A 64 -1.365 4.582 9.524 1.00 0.00 C ATOM 908 CD1 ILE A 64 0.568 2.624 8.114 1.00 0.00 C ATOM 0 H ILE A 64 -2.554 4.971 6.941 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.964 7.035 8.253 1.00 0.00 H new ATOM 0 HB ILE A 64 0.546 5.235 8.837 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.153 3.397 7.118 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.362 4.098 6.586 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.963 3.731 10.074 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.479 5.430 10.200 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.336 4.318 9.106 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.691 1.814 7.395 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.548 2.974 8.437 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.010 2.262 8.977 1.00 0.00 H new ATOM 920 N LEU A 65 -0.670 6.709 5.264 1.00 0.00 N ATOM 921 CA LEU A 65 0.078 6.980 4.042 1.00 0.00 C ATOM 922 C LEU A 65 -0.065 8.442 3.628 1.00 0.00 C ATOM 923 O LEU A 65 -1.144 9.025 3.737 1.00 0.00 O ATOM 924 CB LEU A 65 -0.405 6.069 2.912 1.00 0.00 C ATOM 925 CG LEU A 65 -0.074 4.584 3.060 1.00 0.00 C ATOM 926 CD1 LEU A 65 -0.491 3.817 1.815 1.00 0.00 C ATOM 927 CD2 LEU A 65 1.411 4.393 3.333 1.00 0.00 C ATOM 0 H LEU A 65 -1.683 6.765 5.159 1.00 0.00 H new ATOM 0 HA LEU A 65 1.131 6.778 4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.487 6.173 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.025 6.425 1.976 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.633 4.190 3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.247 2.762 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.565 3.926 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.040 4.213 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.628 3.330 3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.989 4.803 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.681 4.909 4.254 1.00 0.00 H new ATOM 939 N ALA A 66 1.029 9.027 3.152 1.00 0.00 N ATOM 940 CA ALA A 66 1.024 10.418 2.718 1.00 0.00 C ATOM 941 C ALA A 66 1.763 10.583 1.395 1.00 0.00 C ATOM 942 O ALA A 66 2.683 9.831 1.072 1.00 0.00 O ATOM 943 CB ALA A 66 1.646 11.306 3.786 1.00 0.00 C ATOM 0 H ALA A 66 1.930 8.559 3.057 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.012 10.722 2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.636 12.342 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.074 11.219 4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.675 10.993 3.966 1.00 0.00 H new ATOM 949 N PRO A 67 1.352 11.588 0.608 1.00 0.00 N ATOM 950 CA PRO A 67 1.962 11.875 -0.694 1.00 0.00 C ATOM 951 C PRO A 67 3.377 12.426 -0.562 1.00 0.00 C ATOM 952 O PRO A 67 3.572 13.628 -0.376 1.00 0.00 O ATOM 953 CB PRO A 67 1.031 12.930 -1.297 1.00 0.00 C ATOM 954 CG PRO A 67 0.395 13.590 -0.123 1.00 0.00 C ATOM 955 CD PRO A 67 0.261 12.524 0.929 1.00 0.00 C ATOM 0 HA PRO A 67 2.063 10.977 -1.304 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.585 13.647 -1.902 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.284 12.474 -1.947 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.005 14.419 0.237 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.579 14.002 -0.387 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.367 12.935 1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.713 12.036 0.885 1.00 0.00 H new ATOM 963 N PHE A 68 4.364 11.541 -0.661 1.00 0.00 N ATOM 964 CA PHE A 68 5.762 11.940 -0.552 1.00 0.00 C ATOM 965 C PHE A 68 6.164 12.838 -1.718 1.00 0.00 C ATOM 966 O PHE A 68 5.946 12.499 -2.881 1.00 0.00 O ATOM 967 CB PHE A 68 6.665 10.705 -0.510 1.00 0.00 C ATOM 968 CG PHE A 68 8.105 11.024 -0.228 1.00 0.00 C ATOM 969 CD1 PHE A 68 8.462 11.726 0.911 1.00 0.00 C ATOM 970 CD2 PHE A 68 9.101 10.623 -1.103 1.00 0.00 C ATOM 971 CE1 PHE A 68 9.787 12.021 1.174 1.00 0.00 C ATOM 972 CE2 PHE A 68 10.428 10.915 -0.846 1.00 0.00 C ATOM 973 CZ PHE A 68 10.771 11.616 0.294 1.00 0.00 C ATOM 0 H PHE A 68 4.221 10.543 -0.816 1.00 0.00 H new ATOM 0 HA PHE A 68 5.882 12.502 0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.296 10.021 0.255 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.597 10.183 -1.464 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.697 12.047 1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.838 10.076 -1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.052 12.568 2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.195 10.595 -1.536 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.806 11.847 0.496 1.00 0.00 H new