USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 527 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 59 ASN : amide:sc= 0 X(o=-0.41,f=-0.46) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -0.415 USER MOD Set 2.1: A 19 GLN :FLIP amide:sc= 0.267 F(o=-2.1,f=-0.25) USER MOD Set 2.2: A 36 HIS : no HD1:sc= -0.514 K(o=-0.25,f=-6.7!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.051 K(o=-0.051,f=-0.6) USER MOD Single : A 25 TYR OH : rot -30:sc= -0.851 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 153:sc=-0.00479 (180deg=-0.903) USER MOD Single : A 32 LYS NZ :NH3+ 155:sc= -0.107 (180deg=-0.541) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.622 K(o=-0.62,f=-3!) USER MOD Single : A 47 GLN : amide:sc= -0.0699 K(o=-0.07,f=-1.4) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 64 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.057) USER MOD Single : A 65 CYS SG : rot 180:sc= -0.0277 USER MOD Single : A 66 SER OG : rot 63:sc= 1.03 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.040 15.165 11.820 1.00 0.00 N ATOM 67 CA LEU A 8 5.914 14.935 12.965 1.00 0.00 C ATOM 68 C LEU A 8 5.731 13.524 13.516 1.00 0.00 C ATOM 69 O LEU A 8 4.649 12.945 13.419 1.00 0.00 O ATOM 70 CB LEU A 8 5.631 15.963 14.062 1.00 0.00 C ATOM 71 CG LEU A 8 5.957 17.417 13.719 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.382 18.354 14.770 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.460 17.612 13.593 1.00 0.00 C ATOM 0 HA LEU A 8 6.946 15.044 12.630 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.575 15.901 14.327 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.199 15.684 14.949 1.00 0.00 H new ATOM 0 HG LEU A 8 5.499 17.655 12.759 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.624 19.385 14.510 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.299 18.234 14.811 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.810 18.116 15.743 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.673 18.653 13.349 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.941 17.355 14.537 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.846 16.968 12.803 1.00 0.00 H new ATOM 85 N ARG A 9 6.796 12.977 14.094 1.00 0.00 N ATOM 86 CA ARG A 9 6.752 11.635 14.661 1.00 0.00 C ATOM 87 C ARG A 9 7.321 11.624 16.077 1.00 0.00 C ATOM 88 O ARG A 9 8.343 12.252 16.351 1.00 0.00 O ATOM 89 CB ARG A 9 7.534 10.660 13.779 1.00 0.00 C ATOM 90 CG ARG A 9 7.117 10.692 12.317 1.00 0.00 C ATOM 91 CD ARG A 9 5.753 10.051 12.113 1.00 0.00 C ATOM 92 NE ARG A 9 5.492 9.755 10.707 1.00 0.00 N ATOM 93 CZ ARG A 9 5.115 10.670 9.821 1.00 0.00 C ATOM 94 NH1 ARG A 9 4.957 11.933 10.194 1.00 0.00 N ATOM 95 NH2 ARG A 9 4.897 10.324 8.559 1.00 0.00 N ATOM 0 H ARG A 9 7.699 13.443 14.182 1.00 0.00 H new ATOM 0 HA ARG A 9 5.709 11.320 14.704 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.597 10.891 13.850 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.401 9.649 14.164 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.091 11.724 11.967 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.860 10.170 11.714 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.694 9.131 12.694 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.979 10.718 12.493 1.00 0.00 H new ATOM 0 HE ARG A 9 5.605 8.793 10.388 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.125 12.203 11.163 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.667 12.634 9.512 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.019 9.354 8.268 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.608 11.028 7.880 1.00 0.00 H new ATOM 109 N ARG A 10 6.650 10.906 16.973 1.00 0.00 N ATOM 110 CA ARG A 10 7.088 10.815 18.360 1.00 0.00 C ATOM 111 C ARG A 10 7.454 9.378 18.722 1.00 0.00 C ATOM 112 O ARG A 10 6.713 8.443 18.419 1.00 0.00 O ATOM 113 CB ARG A 10 5.991 11.324 19.298 1.00 0.00 C ATOM 114 CG ARG A 10 5.787 12.829 19.235 1.00 0.00 C ATOM 115 CD ARG A 10 4.378 13.218 19.655 1.00 0.00 C ATOM 116 NE ARG A 10 3.406 12.986 18.590 1.00 0.00 N ATOM 117 CZ ARG A 10 2.095 13.129 18.747 1.00 0.00 C ATOM 118 NH1 ARG A 10 1.601 13.502 19.920 1.00 0.00 N ATOM 119 NH2 ARG A 10 1.274 12.900 17.730 1.00 0.00 N ATOM 0 H ARG A 10 5.802 10.380 16.763 1.00 0.00 H new ATOM 0 HA ARG A 10 7.975 11.438 18.476 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.053 10.828 19.049 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.240 11.042 20.321 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.511 13.323 19.884 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.976 13.181 18.221 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.092 12.646 20.538 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.362 14.271 19.938 1.00 0.00 H new ATOM 0 HE ARG A 10 3.753 12.698 17.675 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.228 13.680 20.704 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.594 13.611 20.038 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.650 12.614 16.826 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.267 13.010 17.852 1.00 0.00 H new ATOM 133 N ALA A 11 8.602 9.211 19.370 1.00 0.00 N ATOM 134 CA ALA A 11 9.066 7.889 19.773 1.00 0.00 C ATOM 135 C ALA A 11 10.064 7.985 20.922 1.00 0.00 C ATOM 136 O ALA A 11 10.658 9.038 21.157 1.00 0.00 O ATOM 137 CB ALA A 11 9.688 7.164 18.589 1.00 0.00 C ATOM 0 H ALA A 11 9.228 9.974 19.627 1.00 0.00 H new ATOM 0 HA ALA A 11 8.205 7.319 20.121 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.030 6.178 18.905 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.946 7.055 17.799 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.535 7.739 18.214 1.00 0.00 H new ATOM 143 N THR A 12 10.244 6.878 21.637 1.00 0.00 N ATOM 144 CA THR A 12 11.169 6.838 22.763 1.00 0.00 C ATOM 145 C THR A 12 12.559 6.400 22.317 1.00 0.00 C ATOM 146 O THR A 12 12.707 5.681 21.329 1.00 0.00 O ATOM 147 CB THR A 12 10.671 5.884 23.864 1.00 0.00 C ATOM 148 OG1 THR A 12 10.110 4.706 23.275 1.00 0.00 O ATOM 149 CG2 THR A 12 9.630 6.564 24.740 1.00 0.00 C ATOM 0 H THR A 12 9.761 5.998 21.456 1.00 0.00 H new ATOM 0 HA THR A 12 11.222 7.850 23.165 1.00 0.00 H new ATOM 0 HB THR A 12 11.522 5.608 24.487 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.797 4.104 23.982 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.293 5.870 25.510 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.069 7.444 25.211 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.780 6.866 24.128 1.00 0.00 H new ATOM 157 N VAL A 13 13.577 6.838 23.052 1.00 0.00 N ATOM 158 CA VAL A 13 14.956 6.489 22.733 1.00 0.00 C ATOM 159 C VAL A 13 15.450 5.344 23.610 1.00 0.00 C ATOM 160 O VAL A 13 15.145 5.285 24.800 1.00 0.00 O ATOM 161 CB VAL A 13 15.895 7.697 22.907 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.325 7.319 22.550 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.418 8.869 22.062 1.00 0.00 C ATOM 0 H VAL A 13 13.472 7.435 23.872 1.00 0.00 H new ATOM 0 HA VAL A 13 14.970 6.175 21.689 1.00 0.00 H new ATOM 0 HB VAL A 13 15.876 8.001 23.953 1.00 0.00 H new ATOM 0 HG11 VAL A 13 17.973 8.186 22.679 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.662 6.513 23.202 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.365 6.987 21.513 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.093 9.714 22.197 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.406 8.579 21.011 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.413 9.155 22.371 1.00 0.00 H new ATOM 173 N GLU A 14 16.216 4.436 23.012 1.00 0.00 N ATOM 174 CA GLU A 14 16.752 3.292 23.740 1.00 0.00 C ATOM 175 C GLU A 14 17.803 3.736 24.753 1.00 0.00 C ATOM 176 O GLU A 14 17.625 3.573 25.961 1.00 0.00 O ATOM 177 CB GLU A 14 17.362 2.280 22.767 1.00 0.00 C ATOM 178 CG GLU A 14 17.631 0.922 23.391 1.00 0.00 C ATOM 179 CD GLU A 14 18.447 0.016 22.489 1.00 0.00 C ATOM 180 OE1 GLU A 14 19.624 0.343 22.230 1.00 0.00 O ATOM 181 OE2 GLU A 14 17.909 -1.018 22.042 1.00 0.00 O ATOM 0 H GLU A 14 16.479 4.471 22.027 1.00 0.00 H new ATOM 0 HA GLU A 14 15.930 2.819 24.278 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.690 2.154 21.918 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.297 2.682 22.376 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.158 1.058 24.335 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.682 0.438 23.623 1.00 0.00 H new ATOM 188 N CYS A 15 18.899 4.297 24.253 1.00 0.00 N ATOM 189 CA CYS A 15 19.980 4.764 25.114 1.00 0.00 C ATOM 190 C CYS A 15 20.776 5.873 24.434 1.00 0.00 C ATOM 191 O CYS A 15 20.765 5.998 23.209 1.00 0.00 O ATOM 192 CB CYS A 15 20.907 3.603 25.478 1.00 0.00 C ATOM 193 SG CYS A 15 21.701 3.772 27.094 1.00 0.00 S ATOM 0 H CYS A 15 19.062 4.439 23.256 1.00 0.00 H new ATOM 0 HA CYS A 15 19.538 5.166 26.026 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.334 2.676 25.462 1.00 0.00 H new ATOM 0 HB3 CYS A 15 21.679 3.515 24.713 1.00 0.00 H new ATOM 0 HG CYS A 15 22.463 2.742 27.313 1.00 0.00 H new ATOM 199 N VAL A 16 21.465 6.678 25.237 1.00 0.00 N ATOM 200 CA VAL A 16 22.266 7.777 24.713 1.00 0.00 C ATOM 201 C VAL A 16 23.620 7.851 25.410 1.00 0.00 C ATOM 202 O VAL A 16 23.830 8.679 26.297 1.00 0.00 O ATOM 203 CB VAL A 16 21.543 9.127 24.877 1.00 0.00 C ATOM 204 CG1 VAL A 16 22.393 10.260 24.322 1.00 0.00 C ATOM 205 CG2 VAL A 16 20.182 9.088 24.197 1.00 0.00 C ATOM 0 H VAL A 16 21.484 6.589 26.253 1.00 0.00 H new ATOM 0 HA VAL A 16 22.417 7.580 23.652 1.00 0.00 H new ATOM 0 HB VAL A 16 21.388 9.309 25.940 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.865 11.206 24.447 1.00 0.00 H new ATOM 0 HG12 VAL A 16 23.341 10.300 24.858 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.582 10.087 23.263 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.685 10.050 24.323 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.312 8.883 23.134 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.573 8.303 24.646 1.00 0.00 H new ATOM 215 N LYS A 17 24.537 6.980 25.002 1.00 0.00 N ATOM 216 CA LYS A 17 25.873 6.946 25.585 1.00 0.00 C ATOM 217 C LYS A 17 26.833 7.832 24.797 1.00 0.00 C ATOM 218 O LYS A 17 27.516 8.684 25.366 1.00 0.00 O ATOM 219 CB LYS A 17 26.400 5.510 25.621 1.00 0.00 C ATOM 220 CG LYS A 17 27.359 5.242 26.768 1.00 0.00 C ATOM 221 CD LYS A 17 27.527 3.753 27.019 1.00 0.00 C ATOM 222 CE LYS A 17 28.415 3.487 28.225 1.00 0.00 C ATOM 223 NZ LYS A 17 29.858 3.672 27.903 1.00 0.00 N ATOM 0 H LYS A 17 24.379 6.288 24.269 1.00 0.00 H new ATOM 0 HA LYS A 17 25.808 7.328 26.604 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.556 4.824 25.696 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.904 5.293 24.679 1.00 0.00 H new ATOM 0 HG2 LYS A 17 28.329 5.686 26.543 1.00 0.00 H new ATOM 0 HG3 LYS A 17 26.989 5.725 27.673 1.00 0.00 H new ATOM 0 HD2 LYS A 17 26.550 3.297 27.178 1.00 0.00 H new ATOM 0 HD3 LYS A 17 27.959 3.281 26.137 1.00 0.00 H new ATOM 0 HE2 LYS A 17 28.135 4.158 29.037 1.00 0.00 H new ATOM 0 HE3 LYS A 17 28.250 2.470 28.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 30.430 3.482 28.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 30.132 3.014 27.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 30.021 4.650 27.588 1.00 0.00 H new ATOM 237 N ASP A 18 26.880 7.625 23.486 1.00 0.00 N ATOM 238 CA ASP A 18 27.754 8.407 22.619 1.00 0.00 C ATOM 239 C ASP A 18 27.002 9.585 22.008 1.00 0.00 C ATOM 240 O ASP A 18 25.785 9.697 22.151 1.00 0.00 O ATOM 241 CB ASP A 18 28.332 7.524 21.512 1.00 0.00 C ATOM 242 CG ASP A 18 29.603 6.816 21.939 1.00 0.00 C ATOM 243 OD1 ASP A 18 29.501 5.742 22.567 1.00 0.00 O ATOM 244 OD2 ASP A 18 30.699 7.338 21.646 1.00 0.00 O ATOM 0 H ASP A 18 26.323 6.922 23.000 1.00 0.00 H new ATOM 0 HA ASP A 18 28.571 8.797 23.225 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.589 6.783 21.217 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.538 8.136 20.634 1.00 0.00 H new ATOM 249 N GLN A 19 27.735 10.460 21.327 1.00 0.00 N ATOM 250 CA GLN A 19 27.137 11.630 20.696 1.00 0.00 C ATOM 251 C GLN A 19 25.958 11.230 19.815 1.00 0.00 C ATOM 252 O GLN A 19 25.012 11.997 19.640 1.00 0.00 O ATOM 253 CB GLN A 19 28.181 12.376 19.863 1.00 0.00 C ATOM 254 CG GLN A 19 28.889 11.497 18.845 1.00 0.00 C ATOM 255 CD GLN A 19 30.183 12.109 18.346 1.00 0.00 C ATOM 256 OE1 GLN A 19 30.312 12.229 17.030 1.00 0.00 O flip ATOM 257 NE2 GLN A 19 31.058 12.469 19.134 1.00 0.00 N flip ATOM 0 H GLN A 19 28.744 10.381 21.198 1.00 0.00 H new ATOM 0 HA GLN A 19 26.772 12.289 21.483 1.00 0.00 H new ATOM 0 HB2 GLN A 19 27.696 13.202 19.343 1.00 0.00 H new ATOM 0 HB3 GLN A 19 28.923 12.813 20.532 1.00 0.00 H new ATOM 0 HG2 GLN A 19 29.100 10.526 19.293 1.00 0.00 H new ATOM 0 HG3 GLN A 19 28.225 11.320 17.999 1.00 0.00 H new ATOM 0 HE21 GLN A 19 30.917 12.358 20.138 1.00 0.00 H new ATOM 0 HE22 GLN A 19 31.924 12.878 18.783 1.00 0.00 H new ATOM 266 N PHE A 20 26.023 10.023 19.261 1.00 0.00 N ATOM 267 CA PHE A 20 24.961 9.522 18.396 1.00 0.00 C ATOM 268 C PHE A 20 24.249 8.336 19.041 1.00 0.00 C ATOM 269 O PHE A 20 24.888 7.417 19.551 1.00 0.00 O ATOM 270 CB PHE A 20 25.532 9.110 17.037 1.00 0.00 C ATOM 271 CG PHE A 20 26.588 8.046 17.128 1.00 0.00 C ATOM 272 CD1 PHE A 20 27.915 8.383 17.341 1.00 0.00 C ATOM 273 CD2 PHE A 20 26.253 6.707 17.001 1.00 0.00 C ATOM 274 CE1 PHE A 20 28.888 7.406 17.426 1.00 0.00 C ATOM 275 CE2 PHE A 20 27.222 5.726 17.085 1.00 0.00 C ATOM 276 CZ PHE A 20 28.542 6.075 17.297 1.00 0.00 C ATOM 0 H PHE A 20 26.799 9.375 19.396 1.00 0.00 H new ATOM 0 HA PHE A 20 24.237 10.324 18.250 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.720 8.752 16.404 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.954 9.988 16.548 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.192 9.422 17.442 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.223 6.428 16.835 1.00 0.00 H new ATOM 0 HE1 PHE A 20 29.918 7.683 17.593 1.00 0.00 H new ATOM 0 HE2 PHE A 20 26.948 4.686 16.985 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.301 5.309 17.362 1.00 0.00 H new ATOM 286 N GLY A 21 22.920 8.366 19.014 1.00 0.00 N ATOM 287 CA GLY A 21 22.142 7.289 19.600 1.00 0.00 C ATOM 288 C GLY A 21 21.107 6.734 18.641 1.00 0.00 C ATOM 289 O GLY A 21 21.020 7.166 17.491 1.00 0.00 O ATOM 0 H GLY A 21 22.368 9.116 18.597 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.812 6.487 19.910 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.643 7.652 20.498 1.00 0.00 H new ATOM 293 N PHE A 22 20.321 5.773 19.114 1.00 0.00 N ATOM 294 CA PHE A 22 19.288 5.156 18.290 1.00 0.00 C ATOM 295 C PHE A 22 17.922 5.260 18.961 1.00 0.00 C ATOM 296 O PHE A 22 17.777 4.960 20.146 1.00 0.00 O ATOM 297 CB PHE A 22 19.628 3.688 18.024 1.00 0.00 C ATOM 298 CG PHE A 22 20.850 3.500 17.171 1.00 0.00 C ATOM 299 CD1 PHE A 22 20.748 3.467 15.789 1.00 0.00 C ATOM 300 CD2 PHE A 22 22.100 3.356 17.750 1.00 0.00 C ATOM 301 CE1 PHE A 22 21.870 3.294 15.001 1.00 0.00 C ATOM 302 CE2 PHE A 22 23.226 3.184 16.967 1.00 0.00 C ATOM 303 CZ PHE A 22 23.111 3.152 15.591 1.00 0.00 C ATOM 0 H PHE A 22 20.379 5.405 20.063 1.00 0.00 H new ATOM 0 HA PHE A 22 19.248 5.691 17.341 1.00 0.00 H new ATOM 0 HB2 PHE A 22 19.778 3.180 18.977 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.778 3.209 17.538 1.00 0.00 H new ATOM 0 HD1 PHE A 22 19.780 3.578 15.323 1.00 0.00 H new ATOM 0 HD2 PHE A 22 22.196 3.378 18.825 1.00 0.00 H new ATOM 0 HE1 PHE A 22 21.777 3.270 13.925 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.195 3.075 17.431 1.00 0.00 H new ATOM 0 HZ PHE A 22 23.989 3.016 14.978 1.00 0.00 H new ATOM 313 N ILE A 23 16.924 5.687 18.195 1.00 0.00 N ATOM 314 CA ILE A 23 15.570 5.831 18.715 1.00 0.00 C ATOM 315 C ILE A 23 14.687 4.667 18.276 1.00 0.00 C ATOM 316 O ILE A 23 14.854 4.125 17.185 1.00 0.00 O ATOM 317 CB ILE A 23 14.927 7.152 18.253 1.00 0.00 C ATOM 318 CG1 ILE A 23 15.873 8.325 18.515 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.597 7.368 18.959 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.335 9.655 18.036 1.00 0.00 C ATOM 0 H ILE A 23 17.028 5.939 17.212 1.00 0.00 H new ATOM 0 HA ILE A 23 15.648 5.836 19.802 1.00 0.00 H new ATOM 0 HB ILE A 23 14.742 7.093 17.180 1.00 0.00 H new ATOM 0 HG12 ILE A 23 16.073 8.387 19.585 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.826 8.129 18.023 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.154 8.306 18.622 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.923 6.544 18.725 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.759 7.410 20.036 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.059 10.440 18.255 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.161 9.611 16.961 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.397 9.873 18.547 1.00 0.00 H new ATOM 332 N ASN A 24 13.745 4.291 19.135 1.00 0.00 N ATOM 333 CA ASN A 24 12.833 3.192 18.836 1.00 0.00 C ATOM 334 C ASN A 24 11.764 3.629 17.839 1.00 0.00 C ATOM 335 O ASN A 24 10.590 3.754 18.188 1.00 0.00 O ATOM 336 CB ASN A 24 12.173 2.686 20.120 1.00 0.00 C ATOM 337 CG ASN A 24 13.064 1.731 20.890 1.00 0.00 C ATOM 338 OD1 ASN A 24 13.714 0.863 20.307 1.00 0.00 O ATOM 339 ND2 ASN A 24 13.098 1.886 22.209 1.00 0.00 N ATOM 0 H ASN A 24 13.593 4.730 20.043 1.00 0.00 H new ATOM 0 HA ASN A 24 13.412 2.383 18.390 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.921 3.535 20.755 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.237 2.185 19.871 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.679 1.272 22.780 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.543 2.619 22.651 1.00 0.00 H new ATOM 346 N TYR A 25 12.178 3.858 16.598 1.00 0.00 N ATOM 347 CA TYR A 25 11.257 4.282 15.551 1.00 0.00 C ATOM 348 C TYR A 25 11.501 3.503 14.262 1.00 0.00 C ATOM 349 O TYR A 25 12.644 3.316 13.845 1.00 0.00 O ATOM 350 CB TYR A 25 11.404 5.782 15.289 1.00 0.00 C ATOM 351 CG TYR A 25 10.389 6.329 14.311 1.00 0.00 C ATOM 352 CD1 TYR A 25 9.027 6.212 14.556 1.00 0.00 C ATOM 353 CD2 TYR A 25 10.793 6.963 13.143 1.00 0.00 C ATOM 354 CE1 TYR A 25 8.096 6.710 13.664 1.00 0.00 C ATOM 355 CE2 TYR A 25 9.869 7.465 12.246 1.00 0.00 C ATOM 356 CZ TYR A 25 8.522 7.335 12.511 1.00 0.00 C ATOM 357 OH TYR A 25 7.598 7.833 11.622 1.00 0.00 O ATOM 0 H TYR A 25 13.146 3.757 16.293 1.00 0.00 H new ATOM 0 HA TYR A 25 10.242 4.077 15.891 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.311 6.318 16.234 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.406 5.979 14.908 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.690 5.724 15.458 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.847 7.065 12.932 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.040 6.610 13.869 1.00 0.00 H new ATOM 0 HE2 TYR A 25 10.200 7.956 11.343 1.00 0.00 H new ATOM 0 HH TYR A 25 6.781 7.294 11.663 1.00 0.00 H new ATOM 367 N GLU A 26 10.419 3.052 13.636 1.00 0.00 N ATOM 368 CA GLU A 26 10.515 2.293 12.395 1.00 0.00 C ATOM 369 C GLU A 26 10.321 3.202 11.185 1.00 0.00 C ATOM 370 O GLU A 26 9.339 3.939 11.099 1.00 0.00 O ATOM 371 CB GLU A 26 9.475 1.171 12.375 1.00 0.00 C ATOM 372 CG GLU A 26 9.743 0.111 11.320 1.00 0.00 C ATOM 373 CD GLU A 26 8.891 -1.129 11.509 1.00 0.00 C ATOM 374 OE1 GLU A 26 8.194 -1.217 12.542 1.00 0.00 O ATOM 375 OE2 GLU A 26 8.920 -2.010 10.625 1.00 0.00 O ATOM 0 H GLU A 26 9.466 3.199 13.968 1.00 0.00 H new ATOM 0 HA GLU A 26 11.512 1.855 12.343 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.446 0.696 13.356 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.490 1.603 12.201 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.553 0.531 10.332 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.796 -0.168 11.350 1.00 0.00 H new ATOM 382 N VAL A 27 11.266 3.145 10.252 1.00 0.00 N ATOM 383 CA VAL A 27 11.201 3.963 9.046 1.00 0.00 C ATOM 384 C VAL A 27 11.433 3.119 7.798 1.00 0.00 C ATOM 385 O VAL A 27 12.186 3.507 6.905 1.00 0.00 O ATOM 386 CB VAL A 27 12.236 5.102 9.083 1.00 0.00 C ATOM 387 CG1 VAL A 27 11.898 6.095 10.185 1.00 0.00 C ATOM 388 CG2 VAL A 27 13.638 4.542 9.271 1.00 0.00 C ATOM 0 H VAL A 27 12.086 2.541 10.308 1.00 0.00 H new ATOM 0 HA VAL A 27 10.201 4.394 9.009 1.00 0.00 H new ATOM 0 HB VAL A 27 12.205 5.629 8.129 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.640 6.893 10.196 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.911 6.520 10.002 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.900 5.584 11.148 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.357 5.361 9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.686 3.989 10.209 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.877 3.874 8.444 1.00 0.00 H new ATOM 398 N GLY A 28 10.781 1.962 7.741 1.00 0.00 N ATOM 399 CA GLY A 28 10.929 1.082 6.597 1.00 0.00 C ATOM 400 C GLY A 28 11.709 -0.175 6.930 1.00 0.00 C ATOM 401 O GLY A 28 11.129 -1.190 7.314 1.00 0.00 O ATOM 0 H GLY A 28 10.153 1.618 8.467 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.942 0.806 6.225 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.435 1.618 5.793 1.00 0.00 H new ATOM 405 N ASP A 29 13.028 -0.107 6.782 1.00 0.00 N ATOM 406 CA ASP A 29 13.888 -1.249 7.069 1.00 0.00 C ATOM 407 C ASP A 29 14.491 -1.137 8.466 1.00 0.00 C ATOM 408 O ASP A 29 14.325 -2.029 9.298 1.00 0.00 O ATOM 409 CB ASP A 29 15.002 -1.350 6.026 1.00 0.00 C ATOM 410 CG ASP A 29 14.507 -1.899 4.702 1.00 0.00 C ATOM 411 OD1 ASP A 29 13.700 -2.852 4.719 1.00 0.00 O ATOM 412 OD2 ASP A 29 14.926 -1.374 3.649 1.00 0.00 O ATOM 0 H ASP A 29 13.524 0.726 6.465 1.00 0.00 H new ATOM 0 HA ASP A 29 13.278 -2.152 7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.438 -0.364 5.867 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.796 -1.991 6.408 1.00 0.00 H new ATOM 417 N SER A 30 15.193 -0.036 8.715 1.00 0.00 N ATOM 418 CA SER A 30 15.826 0.190 10.010 1.00 0.00 C ATOM 419 C SER A 30 14.781 0.260 11.120 1.00 0.00 C ATOM 420 O SER A 30 13.872 1.089 11.083 1.00 0.00 O ATOM 421 CB SER A 30 16.644 1.483 9.982 1.00 0.00 C ATOM 422 OG SER A 30 17.944 1.253 9.470 1.00 0.00 O ATOM 0 H SER A 30 15.338 0.713 8.038 1.00 0.00 H new ATOM 0 HA SER A 30 16.492 -0.649 10.213 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.134 2.226 9.369 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.714 1.895 10.989 1.00 0.00 H new ATOM 0 HG SER A 30 18.446 2.095 9.461 1.00 0.00 H new ATOM 428 N LYS A 31 14.918 -0.618 12.108 1.00 0.00 N ATOM 429 CA LYS A 31 13.989 -0.659 13.231 1.00 0.00 C ATOM 430 C LYS A 31 14.196 0.540 14.151 1.00 0.00 C ATOM 431 O LYS A 31 13.271 0.978 14.836 1.00 0.00 O ATOM 432 CB LYS A 31 14.166 -1.958 14.019 1.00 0.00 C ATOM 433 CG LYS A 31 13.079 -2.194 15.054 1.00 0.00 C ATOM 434 CD LYS A 31 13.543 -3.149 16.142 1.00 0.00 C ATOM 435 CE LYS A 31 13.234 -4.594 15.783 1.00 0.00 C ATOM 436 NZ LYS A 31 14.153 -5.114 14.733 1.00 0.00 N ATOM 0 H LYS A 31 15.665 -1.312 12.154 1.00 0.00 H new ATOM 0 HA LYS A 31 12.975 -0.619 12.834 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.181 -2.796 13.323 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.135 -1.941 14.519 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.789 -1.244 15.502 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.193 -2.600 14.566 1.00 0.00 H new ATOM 0 HD2 LYS A 31 14.616 -3.033 16.297 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.056 -2.894 17.083 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.314 -5.215 16.675 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.204 -4.669 15.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.241 -6.146 14.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.771 -4.885 13.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.089 -4.675 14.843 1.00 0.00 H new ATOM 450 N LYS A 32 15.415 1.068 14.163 1.00 0.00 N ATOM 451 CA LYS A 32 15.744 2.217 14.997 1.00 0.00 C ATOM 452 C LYS A 32 15.982 3.459 14.143 1.00 0.00 C ATOM 453 O LYS A 32 15.989 3.387 12.913 1.00 0.00 O ATOM 454 CB LYS A 32 16.985 1.922 15.843 1.00 0.00 C ATOM 455 CG LYS A 32 16.669 1.279 17.182 1.00 0.00 C ATOM 456 CD LYS A 32 17.828 0.434 17.682 1.00 0.00 C ATOM 457 CE LYS A 32 17.359 -0.632 18.661 1.00 0.00 C ATOM 458 NZ LYS A 32 16.491 -1.646 18.002 1.00 0.00 N ATOM 0 H LYS A 32 16.192 0.718 13.603 1.00 0.00 H new ATOM 0 HA LYS A 32 14.898 2.408 15.658 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.649 1.265 15.282 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.527 2.852 16.015 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.440 2.054 17.914 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.779 0.657 17.087 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.325 -0.041 16.836 1.00 0.00 H new ATOM 0 HD3 LYS A 32 18.565 1.075 18.166 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.225 -1.126 19.102 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.811 -0.160 19.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.535 -2.539 18.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.509 -1.303 17.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.821 -1.806 17.029 1.00 0.00 H new ATOM 472 N LEU A 33 16.177 4.596 14.802 1.00 0.00 N ATOM 473 CA LEU A 33 16.417 5.853 14.103 1.00 0.00 C ATOM 474 C LEU A 33 17.748 6.467 14.527 1.00 0.00 C ATOM 475 O LEU A 33 17.987 6.699 15.712 1.00 0.00 O ATOM 476 CB LEU A 33 15.279 6.837 14.377 1.00 0.00 C ATOM 477 CG LEU A 33 14.957 7.821 13.252 1.00 0.00 C ATOM 478 CD1 LEU A 33 16.214 8.551 12.804 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.311 7.098 12.079 1.00 0.00 C ATOM 0 H LEU A 33 16.174 4.673 15.819 1.00 0.00 H new ATOM 0 HA LEU A 33 16.459 5.643 13.034 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.378 6.266 14.602 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.527 7.408 15.272 1.00 0.00 H new ATOM 0 HG LEU A 33 14.250 8.558 13.632 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.965 9.247 12.003 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.634 9.102 13.645 1.00 0.00 H new ATOM 0 HD13 LEU A 33 16.945 7.828 12.442 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.089 7.814 11.288 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.994 6.338 11.699 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.387 6.623 12.409 1.00 0.00 H new ATOM 491 N PHE A 34 18.611 6.729 13.551 1.00 0.00 N ATOM 492 CA PHE A 34 19.917 7.317 13.822 1.00 0.00 C ATOM 493 C PHE A 34 19.820 8.837 13.918 1.00 0.00 C ATOM 494 O PHE A 34 19.105 9.475 13.145 1.00 0.00 O ATOM 495 CB PHE A 34 20.913 6.926 12.729 1.00 0.00 C ATOM 496 CG PHE A 34 22.231 7.639 12.836 1.00 0.00 C ATOM 497 CD1 PHE A 34 23.131 7.313 13.837 1.00 0.00 C ATOM 498 CD2 PHE A 34 22.570 8.635 11.934 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.344 7.968 13.938 1.00 0.00 C ATOM 500 CE2 PHE A 34 23.782 9.293 12.029 1.00 0.00 C ATOM 501 CZ PHE A 34 24.670 8.958 13.032 1.00 0.00 C ATOM 0 H PHE A 34 18.429 6.543 12.565 1.00 0.00 H new ATOM 0 HA PHE A 34 20.269 6.932 14.779 1.00 0.00 H new ATOM 0 HB2 PHE A 34 21.086 5.851 12.774 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.473 7.138 11.755 1.00 0.00 H new ATOM 0 HD1 PHE A 34 22.882 6.538 14.547 1.00 0.00 H new ATOM 0 HD2 PHE A 34 21.879 8.900 11.147 1.00 0.00 H new ATOM 0 HE1 PHE A 34 25.036 7.706 14.725 1.00 0.00 H new ATOM 0 HE2 PHE A 34 24.034 10.068 11.320 1.00 0.00 H new ATOM 0 HZ PHE A 34 25.618 9.469 13.108 1.00 0.00 H new ATOM 511 N PHE A 35 20.545 9.411 14.872 1.00 0.00 N ATOM 512 CA PHE A 35 20.541 10.856 15.071 1.00 0.00 C ATOM 513 C PHE A 35 21.804 11.309 15.798 1.00 0.00 C ATOM 514 O PHE A 35 22.354 10.579 16.624 1.00 0.00 O ATOM 515 CB PHE A 35 19.303 11.279 15.864 1.00 0.00 C ATOM 516 CG PHE A 35 19.364 10.902 17.317 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.168 9.590 17.715 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.618 11.861 18.285 1.00 0.00 C ATOM 519 CE1 PHE A 35 19.223 9.241 19.051 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.674 11.518 19.622 1.00 0.00 C ATOM 521 CZ PHE A 35 19.478 10.206 20.006 1.00 0.00 C ATOM 0 H PHE A 35 21.143 8.898 15.520 1.00 0.00 H new ATOM 0 HA PHE A 35 20.517 11.332 14.091 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.180 12.359 15.782 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.421 10.823 15.415 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.970 8.831 16.973 1.00 0.00 H new ATOM 0 HD2 PHE A 35 19.774 12.888 17.991 1.00 0.00 H new ATOM 0 HE1 PHE A 35 19.067 8.215 19.348 1.00 0.00 H new ATOM 0 HE2 PHE A 35 19.871 12.275 20.366 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.524 9.935 21.050 1.00 0.00 H new ATOM 531 N HIS A 36 22.258 12.518 15.485 1.00 0.00 N ATOM 532 CA HIS A 36 23.457 13.069 16.108 1.00 0.00 C ATOM 533 C HIS A 36 23.099 14.205 17.061 1.00 0.00 C ATOM 534 O HIS A 36 22.029 14.804 16.956 1.00 0.00 O ATOM 535 CB HIS A 36 24.428 13.571 15.039 1.00 0.00 C ATOM 536 CG HIS A 36 25.811 13.820 15.556 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.362 15.080 15.655 1.00 0.00 N ATOM 538 CD2 HIS A 36 26.756 12.961 16.005 1.00 0.00 C ATOM 539 CE1 HIS A 36 27.587 14.985 16.142 1.00 0.00 C ATOM 540 NE2 HIS A 36 27.850 13.710 16.363 1.00 0.00 N ATOM 0 H HIS A 36 21.815 13.135 14.804 1.00 0.00 H new ATOM 0 HA HIS A 36 23.938 12.275 16.680 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.477 12.840 14.232 1.00 0.00 H new ATOM 0 HB3 HIS A 36 24.038 14.494 14.610 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.666 11.887 16.070 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.259 15.810 16.328 1.00 0.00 H new ATOM 0 HE2 HIS A 36 28.724 13.341 16.739 1.00 0.00 H new ATOM 548 N VAL A 37 24.003 14.496 17.992 1.00 0.00 N ATOM 549 CA VAL A 37 23.783 15.560 18.964 1.00 0.00 C ATOM 550 C VAL A 37 23.470 16.882 18.271 1.00 0.00 C ATOM 551 O VAL A 37 22.803 17.749 18.835 1.00 0.00 O ATOM 552 CB VAL A 37 25.010 15.750 19.876 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.105 14.615 20.885 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.281 15.845 19.046 1.00 0.00 C ATOM 0 H VAL A 37 24.894 14.010 18.093 1.00 0.00 H new ATOM 0 HA VAL A 37 22.930 15.261 19.572 1.00 0.00 H new ATOM 0 HB VAL A 37 24.892 16.684 20.425 1.00 0.00 H new ATOM 0 HG11 VAL A 37 25.977 14.766 21.521 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.206 14.599 21.501 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.200 13.666 20.357 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.138 15.979 19.706 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.408 14.929 18.469 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.210 16.695 18.367 1.00 0.00 H new ATOM 564 N LYS A 38 23.956 17.029 17.043 1.00 0.00 N ATOM 565 CA LYS A 38 23.728 18.244 16.270 1.00 0.00 C ATOM 566 C LYS A 38 22.240 18.448 16.004 1.00 0.00 C ATOM 567 O LYS A 38 21.773 19.579 15.876 1.00 0.00 O ATOM 568 CB LYS A 38 24.489 18.180 14.944 1.00 0.00 C ATOM 569 CG LYS A 38 23.865 17.239 13.929 1.00 0.00 C ATOM 570 CD LYS A 38 24.892 16.735 12.930 1.00 0.00 C ATOM 571 CE LYS A 38 24.346 15.582 12.102 1.00 0.00 C ATOM 572 NZ LYS A 38 23.611 16.062 10.899 1.00 0.00 N ATOM 0 H LYS A 38 24.511 16.321 16.562 1.00 0.00 H new ATOM 0 HA LYS A 38 24.095 19.089 16.852 1.00 0.00 H new ATOM 0 HB2 LYS A 38 24.540 19.181 14.515 1.00 0.00 H new ATOM 0 HB3 LYS A 38 25.514 17.864 15.138 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.413 16.392 14.446 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.063 17.754 13.399 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.189 17.550 12.270 1.00 0.00 H new ATOM 0 HD3 LYS A 38 25.788 16.411 13.460 1.00 0.00 H new ATOM 0 HE2 LYS A 38 25.168 14.937 11.792 1.00 0.00 H new ATOM 0 HE3 LYS A 38 23.680 14.977 12.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 23.255 15.246 10.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 22.811 16.657 11.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 24.253 16.618 10.299 1.00 0.00 H new ATOM 586 N GLU A 39 21.501 17.346 15.924 1.00 0.00 N ATOM 587 CA GLU A 39 20.065 17.406 15.674 1.00 0.00 C ATOM 588 C GLU A 39 19.345 18.125 16.811 1.00 0.00 C ATOM 589 O GLU A 39 18.806 19.217 16.627 1.00 0.00 O ATOM 590 CB GLU A 39 19.495 15.996 15.505 1.00 0.00 C ATOM 591 CG GLU A 39 20.109 15.226 14.348 1.00 0.00 C ATOM 592 CD GLU A 39 19.264 14.040 13.924 1.00 0.00 C ATOM 593 OE1 GLU A 39 18.143 13.890 14.455 1.00 0.00 O ATOM 594 OE2 GLU A 39 19.724 13.262 13.062 1.00 0.00 O ATOM 0 H GLU A 39 21.872 16.402 16.029 1.00 0.00 H new ATOM 0 HA GLU A 39 19.905 17.967 14.753 1.00 0.00 H new ATOM 0 HB2 GLU A 39 19.653 15.437 16.427 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.418 16.064 15.354 1.00 0.00 H new ATOM 0 HG2 GLU A 39 20.240 15.897 13.499 1.00 0.00 H new ATOM 0 HG3 GLU A 39 21.101 14.877 14.634 1.00 0.00 H new ATOM 601 N VAL A 40 19.339 17.505 17.986 1.00 0.00 N ATOM 602 CA VAL A 40 18.686 18.085 19.154 1.00 0.00 C ATOM 603 C VAL A 40 19.153 19.516 19.391 1.00 0.00 C ATOM 604 O VAL A 40 20.353 19.784 19.461 1.00 0.00 O ATOM 605 CB VAL A 40 18.957 17.251 20.420 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.453 17.095 20.647 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.289 17.889 21.630 1.00 0.00 C ATOM 0 H VAL A 40 19.779 16.600 18.155 1.00 0.00 H new ATOM 0 HA VAL A 40 17.615 18.085 18.951 1.00 0.00 H new ATOM 0 HB VAL A 40 18.530 16.258 20.279 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.625 16.503 21.546 1.00 0.00 H new ATOM 0 HG12 VAL A 40 20.901 16.592 19.790 1.00 0.00 H new ATOM 0 HG13 VAL A 40 20.907 18.078 20.768 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.490 17.287 22.516 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.685 18.894 21.776 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.213 17.943 21.465 1.00 0.00 H new ATOM 617 N GLN A 41 18.198 20.432 19.514 1.00 0.00 N ATOM 618 CA GLN A 41 18.513 21.838 19.743 1.00 0.00 C ATOM 619 C GLN A 41 18.027 22.287 21.116 1.00 0.00 C ATOM 620 O GLN A 41 17.604 21.470 21.934 1.00 0.00 O ATOM 621 CB GLN A 41 17.881 22.708 18.655 1.00 0.00 C ATOM 622 CG GLN A 41 18.071 22.159 17.250 1.00 0.00 C ATOM 623 CD GLN A 41 19.524 22.155 16.816 1.00 0.00 C ATOM 624 OE1 GLN A 41 20.405 22.598 17.553 1.00 0.00 O ATOM 625 NE2 GLN A 41 19.782 21.654 15.614 1.00 0.00 N ATOM 0 H GLN A 41 17.200 20.227 19.459 1.00 0.00 H new ATOM 0 HA GLN A 41 19.596 21.953 19.706 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.814 22.808 18.856 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.311 23.708 18.706 1.00 0.00 H new ATOM 0 HG2 GLN A 41 17.680 21.143 17.205 1.00 0.00 H new ATOM 0 HG3 GLN A 41 17.488 22.756 16.549 1.00 0.00 H new ATOM 0 HE21 GLN A 41 19.021 21.297 15.036 1.00 0.00 H new ATOM 0 HE22 GLN A 41 20.741 21.626 15.268 1.00 0.00 H new ATOM 634 N ASP A 42 18.091 23.591 21.363 1.00 0.00 N ATOM 635 CA ASP A 42 17.656 24.150 22.638 1.00 0.00 C ATOM 636 C ASP A 42 18.480 23.582 23.789 1.00 0.00 C ATOM 637 O ASP A 42 18.027 23.548 24.933 1.00 0.00 O ATOM 638 CB ASP A 42 16.171 23.862 22.866 1.00 0.00 C ATOM 639 CG ASP A 42 15.605 24.634 24.041 1.00 0.00 C ATOM 640 OD1 ASP A 42 16.085 25.758 24.298 1.00 0.00 O ATOM 641 OD2 ASP A 42 14.684 24.114 24.705 1.00 0.00 O ATOM 0 H ASP A 42 18.440 24.281 20.697 1.00 0.00 H new ATOM 0 HA ASP A 42 17.807 25.229 22.604 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.612 24.116 21.965 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.033 22.794 23.036 1.00 0.00 H new ATOM 646 N GLY A 43 19.694 23.136 23.479 1.00 0.00 N ATOM 647 CA GLY A 43 20.561 22.575 24.498 1.00 0.00 C ATOM 648 C GLY A 43 19.881 21.484 25.302 1.00 0.00 C ATOM 649 O GLY A 43 19.969 21.462 26.530 1.00 0.00 O ATOM 0 H GLY A 43 20.092 23.153 22.540 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.456 22.170 24.026 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.887 23.368 25.171 1.00 0.00 H new ATOM 653 N ILE A 44 19.198 20.579 24.609 1.00 0.00 N ATOM 654 CA ILE A 44 18.500 19.481 25.266 1.00 0.00 C ATOM 655 C ILE A 44 19.254 18.168 25.093 1.00 0.00 C ATOM 656 O ILE A 44 19.887 17.935 24.064 1.00 0.00 O ATOM 657 CB ILE A 44 17.070 19.316 24.719 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.347 20.664 24.704 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.298 18.303 25.552 1.00 0.00 C ATOM 660 CD1 ILE A 44 16.135 21.251 26.082 1.00 0.00 C ATOM 0 H ILE A 44 19.113 20.585 23.593 1.00 0.00 H new ATOM 0 HA ILE A 44 18.448 19.729 26.326 1.00 0.00 H new ATOM 0 HB ILE A 44 17.129 18.946 23.695 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.921 21.368 24.102 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.380 20.543 24.217 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.289 18.197 25.153 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.806 17.339 25.515 1.00 0.00 H new ATOM 0 HG23 ILE A 44 16.245 18.646 26.585 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.617 22.206 25.995 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.535 20.566 26.681 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.100 21.404 26.565 1.00 0.00 H new ATOM 672 N GLU A 45 19.181 17.311 26.107 1.00 0.00 N ATOM 673 CA GLU A 45 19.856 16.019 26.066 1.00 0.00 C ATOM 674 C GLU A 45 18.852 14.876 26.184 1.00 0.00 C ATOM 675 O GLU A 45 18.078 14.811 27.140 1.00 0.00 O ATOM 676 CB GLU A 45 20.889 15.923 27.190 1.00 0.00 C ATOM 677 CG GLU A 45 21.614 14.588 27.239 1.00 0.00 C ATOM 678 CD GLU A 45 22.625 14.432 26.120 1.00 0.00 C ATOM 679 OE1 GLU A 45 22.748 15.363 25.296 1.00 0.00 O ATOM 680 OE2 GLU A 45 23.294 13.379 26.068 1.00 0.00 O ATOM 0 H GLU A 45 18.661 17.488 26.967 1.00 0.00 H new ATOM 0 HA GLU A 45 20.365 15.934 25.106 1.00 0.00 H new ATOM 0 HB2 GLU A 45 21.622 16.720 27.067 1.00 0.00 H new ATOM 0 HB3 GLU A 45 20.391 16.092 28.145 1.00 0.00 H new ATOM 0 HG2 GLU A 45 22.122 14.489 28.199 1.00 0.00 H new ATOM 0 HG3 GLU A 45 20.885 13.780 27.180 1.00 0.00 H new ATOM 687 N LEU A 46 18.870 13.978 25.206 1.00 0.00 N ATOM 688 CA LEU A 46 17.961 12.837 25.199 1.00 0.00 C ATOM 689 C LEU A 46 18.554 11.663 25.972 1.00 0.00 C ATOM 690 O LEU A 46 19.764 11.441 25.948 1.00 0.00 O ATOM 691 CB LEU A 46 17.655 12.412 23.761 1.00 0.00 C ATOM 692 CG LEU A 46 17.497 13.545 22.746 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.391 12.987 21.335 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.278 14.393 23.079 1.00 0.00 C ATOM 0 H LEU A 46 19.504 14.017 24.408 1.00 0.00 H new ATOM 0 HA LEU A 46 17.035 13.139 25.687 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.454 11.754 23.420 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.737 11.824 23.765 1.00 0.00 H new ATOM 0 HG LEU A 46 18.382 14.180 22.798 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.279 13.808 20.627 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.293 12.423 21.098 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.524 12.329 21.268 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.181 15.194 22.346 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.384 13.770 23.056 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.395 14.823 24.074 1.00 0.00 H new ATOM 706 N GLN A 47 17.693 10.915 26.654 1.00 0.00 N ATOM 707 CA GLN A 47 18.133 9.763 27.433 1.00 0.00 C ATOM 708 C GLN A 47 17.264 8.545 27.141 1.00 0.00 C ATOM 709 O GLN A 47 16.402 8.581 26.263 1.00 0.00 O ATOM 710 CB GLN A 47 18.092 10.087 28.928 1.00 0.00 C ATOM 711 CG GLN A 47 18.872 11.337 29.301 1.00 0.00 C ATOM 712 CD GLN A 47 19.362 11.313 30.736 1.00 0.00 C ATOM 713 OE1 GLN A 47 19.002 10.427 31.512 1.00 0.00 O ATOM 714 NE2 GLN A 47 20.188 12.288 31.096 1.00 0.00 N ATOM 0 H GLN A 47 16.688 11.085 26.683 1.00 0.00 H new ATOM 0 HA GLN A 47 19.159 9.532 27.146 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.054 10.211 29.236 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.491 9.240 29.486 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.726 11.441 28.631 1.00 0.00 H new ATOM 0 HG3 GLN A 47 18.241 12.213 29.151 1.00 0.00 H new ATOM 0 HE21 GLN A 47 20.460 13.002 30.420 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.551 12.323 32.049 1.00 0.00 H new ATOM 723 N ALA A 48 17.497 7.467 27.882 1.00 0.00 N ATOM 724 CA ALA A 48 16.734 6.237 27.703 1.00 0.00 C ATOM 725 C ALA A 48 15.301 6.404 28.196 1.00 0.00 C ATOM 726 O ALA A 48 15.066 6.661 29.376 1.00 0.00 O ATOM 727 CB ALA A 48 17.413 5.085 28.427 1.00 0.00 C ATOM 0 H ALA A 48 18.208 7.420 28.612 1.00 0.00 H new ATOM 0 HA ALA A 48 16.700 6.011 26.637 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.833 4.173 28.285 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.416 4.943 28.025 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.478 5.312 29.491 1.00 0.00 H new ATOM 733 N GLY A 49 14.344 6.256 27.285 1.00 0.00 N ATOM 734 CA GLY A 49 12.946 6.394 27.647 1.00 0.00 C ATOM 735 C GLY A 49 12.444 7.816 27.490 1.00 0.00 C ATOM 736 O GLY A 49 11.389 8.170 28.016 1.00 0.00 O ATOM 0 H GLY A 49 14.513 6.043 26.302 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.346 5.729 27.026 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.808 6.075 28.680 1.00 0.00 H new ATOM 740 N ASP A 50 13.203 8.632 26.767 1.00 0.00 N ATOM 741 CA ASP A 50 12.829 10.024 26.543 1.00 0.00 C ATOM 742 C ASP A 50 12.089 10.182 25.219 1.00 0.00 C ATOM 743 O ASP A 50 12.648 9.933 24.151 1.00 0.00 O ATOM 744 CB ASP A 50 14.072 10.916 26.556 1.00 0.00 C ATOM 745 CG ASP A 50 14.418 11.407 27.948 1.00 0.00 C ATOM 746 OD1 ASP A 50 13.889 10.838 28.926 1.00 0.00 O ATOM 747 OD2 ASP A 50 15.218 12.359 28.059 1.00 0.00 O ATOM 0 H ASP A 50 14.080 8.354 26.326 1.00 0.00 H new ATOM 0 HA ASP A 50 12.163 10.330 27.349 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.918 10.362 26.149 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.908 11.773 25.902 1.00 0.00 H new ATOM 752 N GLU A 51 10.827 10.595 25.297 1.00 0.00 N ATOM 753 CA GLU A 51 10.010 10.783 24.104 1.00 0.00 C ATOM 754 C GLU A 51 10.285 12.141 23.465 1.00 0.00 C ATOM 755 O GLU A 51 10.170 13.180 24.116 1.00 0.00 O ATOM 756 CB GLU A 51 8.525 10.662 24.452 1.00 0.00 C ATOM 757 CG GLU A 51 7.674 10.133 23.310 1.00 0.00 C ATOM 758 CD GLU A 51 6.197 10.098 23.651 1.00 0.00 C ATOM 759 OE1 GLU A 51 5.868 9.906 24.840 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.370 10.262 22.730 1.00 0.00 O ATOM 0 H GLU A 51 10.349 10.805 26.173 1.00 0.00 H new ATOM 0 HA GLU A 51 10.273 10.004 23.388 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.415 10.002 25.312 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.149 11.641 24.751 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.825 10.758 22.430 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.007 9.128 23.049 1.00 0.00 H new ATOM 767 N VAL A 52 10.650 12.125 22.187 1.00 0.00 N ATOM 768 CA VAL A 52 10.941 13.354 21.459 1.00 0.00 C ATOM 769 C VAL A 52 10.210 13.387 20.122 1.00 0.00 C ATOM 770 O VAL A 52 9.711 12.365 19.651 1.00 0.00 O ATOM 771 CB VAL A 52 12.452 13.514 21.209 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.183 13.790 22.514 1.00 0.00 C ATOM 773 CG2 VAL A 52 13.013 12.275 20.526 1.00 0.00 C ATOM 0 H VAL A 52 10.751 11.274 21.634 1.00 0.00 H new ATOM 0 HA VAL A 52 10.594 14.179 22.080 1.00 0.00 H new ATOM 0 HB VAL A 52 12.605 14.367 20.547 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.249 13.900 22.317 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.799 14.708 22.959 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.025 12.960 23.202 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.082 12.405 20.357 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.850 11.404 21.161 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.510 12.127 19.570 1.00 0.00 H new ATOM 783 N GLU A 53 10.150 14.568 19.515 1.00 0.00 N ATOM 784 CA GLU A 53 9.479 14.733 18.231 1.00 0.00 C ATOM 785 C GLU A 53 10.476 15.114 17.141 1.00 0.00 C ATOM 786 O GLU A 53 11.123 16.159 17.212 1.00 0.00 O ATOM 787 CB GLU A 53 8.388 15.801 18.334 1.00 0.00 C ATOM 788 CG GLU A 53 7.275 15.636 17.313 1.00 0.00 C ATOM 789 CD GLU A 53 6.007 16.368 17.708 1.00 0.00 C ATOM 790 OE1 GLU A 53 6.031 17.615 17.753 1.00 0.00 O ATOM 791 OE2 GLU A 53 4.991 15.691 17.972 1.00 0.00 O ATOM 0 H GLU A 53 10.558 15.424 19.891 1.00 0.00 H new ATOM 0 HA GLU A 53 9.021 13.780 17.965 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.958 15.773 19.335 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.841 16.784 18.209 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.617 16.005 16.346 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.054 14.576 17.190 1.00 0.00 H new ATOM 798 N PHE A 54 10.596 14.257 16.132 1.00 0.00 N ATOM 799 CA PHE A 54 11.516 14.501 15.027 1.00 0.00 C ATOM 800 C PHE A 54 10.818 14.302 13.684 1.00 0.00 C ATOM 801 O PHE A 54 9.782 13.641 13.603 1.00 0.00 O ATOM 802 CB PHE A 54 12.727 13.571 15.128 1.00 0.00 C ATOM 803 CG PHE A 54 12.359 12.120 15.253 1.00 0.00 C ATOM 804 CD1 PHE A 54 12.026 11.580 16.485 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.347 11.296 14.139 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.687 10.245 16.604 1.00 0.00 C ATOM 807 CE2 PHE A 54 12.009 9.961 14.252 1.00 0.00 C ATOM 808 CZ PHE A 54 11.680 9.435 15.486 1.00 0.00 C ATOM 0 H PHE A 54 10.068 13.388 16.057 1.00 0.00 H new ATOM 0 HA PHE A 54 11.855 15.535 15.091 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.352 13.704 14.245 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.327 13.861 15.990 1.00 0.00 H new ATOM 0 HD1 PHE A 54 12.031 12.209 17.363 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.605 11.702 13.172 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.428 9.837 17.570 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.002 9.329 13.376 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.418 8.391 15.576 1.00 0.00 H new ATOM 818 N SER A 55 11.393 14.879 12.634 1.00 0.00 N ATOM 819 CA SER A 55 10.825 14.769 11.295 1.00 0.00 C ATOM 820 C SER A 55 11.649 13.819 10.431 1.00 0.00 C ATOM 821 O SER A 55 12.877 13.898 10.401 1.00 0.00 O ATOM 822 CB SER A 55 10.753 16.146 10.634 1.00 0.00 C ATOM 823 OG SER A 55 12.011 16.521 10.099 1.00 0.00 O ATOM 0 H SER A 55 12.252 15.427 12.684 1.00 0.00 H new ATOM 0 HA SER A 55 9.817 14.365 11.387 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.006 16.133 9.840 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.429 16.887 11.365 1.00 0.00 H new ATOM 0 HG SER A 55 11.938 17.404 9.680 1.00 0.00 H new ATOM 829 N VAL A 56 10.964 12.922 9.730 1.00 0.00 N ATOM 830 CA VAL A 56 11.631 11.957 8.864 1.00 0.00 C ATOM 831 C VAL A 56 12.123 12.618 7.581 1.00 0.00 C ATOM 832 O VAL A 56 11.345 13.231 6.849 1.00 0.00 O ATOM 833 CB VAL A 56 10.696 10.789 8.500 1.00 0.00 C ATOM 834 CG1 VAL A 56 11.404 9.803 7.583 1.00 0.00 C ATOM 835 CG2 VAL A 56 10.198 10.094 9.759 1.00 0.00 C ATOM 0 H VAL A 56 9.947 12.843 9.745 1.00 0.00 H new ATOM 0 HA VAL A 56 12.484 11.570 9.421 1.00 0.00 H new ATOM 0 HB VAL A 56 9.834 11.190 7.967 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.727 8.985 7.337 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.707 10.311 6.668 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.285 9.406 8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.538 9.271 9.484 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.048 9.706 10.321 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.651 10.807 10.376 1.00 0.00 H new ATOM 845 N ILE A 57 13.419 12.489 7.315 1.00 0.00 N ATOM 846 CA ILE A 57 14.014 13.073 6.120 1.00 0.00 C ATOM 847 C ILE A 57 14.696 12.007 5.269 1.00 0.00 C ATOM 848 O ILE A 57 15.520 11.236 5.762 1.00 0.00 O ATOM 849 CB ILE A 57 15.042 14.163 6.477 1.00 0.00 C ATOM 850 CG1 ILE A 57 14.416 15.198 7.414 1.00 0.00 C ATOM 851 CG2 ILE A 57 15.566 14.832 5.215 1.00 0.00 C ATOM 852 CD1 ILE A 57 13.227 15.915 6.814 1.00 0.00 C ATOM 0 H ILE A 57 14.076 11.985 7.911 1.00 0.00 H new ATOM 0 HA ILE A 57 13.201 13.524 5.551 1.00 0.00 H new ATOM 0 HB ILE A 57 15.881 13.695 6.991 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.105 14.703 8.334 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.173 15.933 7.688 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.291 15.600 5.484 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.045 14.087 4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.737 15.290 4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.834 16.633 7.534 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.537 16.439 5.910 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.452 15.190 6.566 1.00 0.00 H new ATOM 864 N LEU A 58 14.347 11.970 3.987 1.00 0.00 N ATOM 865 CA LEU A 58 14.927 10.999 3.065 1.00 0.00 C ATOM 866 C LEU A 58 15.904 11.673 2.108 1.00 0.00 C ATOM 867 O LEU A 58 15.594 12.705 1.513 1.00 0.00 O ATOM 868 CB LEU A 58 13.823 10.296 2.273 1.00 0.00 C ATOM 869 CG LEU A 58 14.274 9.524 1.033 1.00 0.00 C ATOM 870 CD1 LEU A 58 15.203 8.385 1.421 1.00 0.00 C ATOM 871 CD2 LEU A 58 13.070 8.995 0.267 1.00 0.00 C ATOM 0 H LEU A 58 13.666 12.600 3.563 1.00 0.00 H new ATOM 0 HA LEU A 58 15.473 10.260 3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.309 9.604 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.092 11.044 1.965 1.00 0.00 H new ATOM 0 HG LEU A 58 14.822 10.207 0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.513 7.847 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.082 8.788 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.681 7.702 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.410 8.448 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.495 8.328 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.442 9.829 -0.045 1.00 0.00 H new ATOM 883 N ASN A 59 17.086 11.082 1.963 1.00 0.00 N ATOM 884 CA ASN A 59 18.108 11.625 1.076 1.00 0.00 C ATOM 885 C ASN A 59 18.171 10.837 -0.229 1.00 0.00 C ATOM 886 O ASN A 59 18.314 9.615 -0.220 1.00 0.00 O ATOM 887 CB ASN A 59 19.474 11.602 1.765 1.00 0.00 C ATOM 888 CG ASN A 59 19.751 12.874 2.544 1.00 0.00 C ATOM 889 OD1 ASN A 59 18.890 13.367 3.273 1.00 0.00 O ATOM 890 ND2 ASN A 59 20.956 13.411 2.392 1.00 0.00 N ATOM 0 H ASN A 59 17.359 10.227 2.448 1.00 0.00 H new ATOM 0 HA ASN A 59 17.842 12.656 0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.523 10.748 2.440 1.00 0.00 H new ATOM 0 HB3 ASN A 59 20.253 11.461 1.016 1.00 0.00 H new ATOM 0 HD21 ASN A 59 21.199 14.267 2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.638 12.967 1.777 1.00 0.00 H new ATOM 897 N GLN A 60 18.064 11.546 -1.348 1.00 0.00 N ATOM 898 CA GLN A 60 18.109 10.913 -2.660 1.00 0.00 C ATOM 899 C GLN A 60 19.550 10.693 -3.110 1.00 0.00 C ATOM 900 O GLN A 60 19.837 9.774 -3.877 1.00 0.00 O ATOM 901 CB GLN A 60 17.366 11.768 -3.688 1.00 0.00 C ATOM 902 CG GLN A 60 15.853 11.703 -3.554 1.00 0.00 C ATOM 903 CD GLN A 60 15.154 12.840 -4.273 1.00 0.00 C ATOM 904 OE1 GLN A 60 15.741 13.502 -5.130 1.00 0.00 O ATOM 905 NE2 GLN A 60 13.894 13.074 -3.927 1.00 0.00 N ATOM 0 H GLN A 60 17.946 12.559 -1.372 1.00 0.00 H new ATOM 0 HA GLN A 60 17.620 9.942 -2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 60 17.687 12.805 -3.586 1.00 0.00 H new ATOM 0 HB3 GLN A 60 17.648 11.444 -4.690 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.497 10.753 -3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.584 11.726 -2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.447 12.501 -3.212 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.373 13.827 -4.376 1.00 0.00 H new ATOM 914 N ARG A 61 20.451 11.543 -2.628 1.00 0.00 N ATOM 915 CA ARG A 61 21.861 11.442 -2.982 1.00 0.00 C ATOM 916 C ARG A 61 22.502 10.225 -2.322 1.00 0.00 C ATOM 917 O ARG A 61 23.201 9.447 -2.973 1.00 0.00 O ATOM 918 CB ARG A 61 22.605 12.712 -2.565 1.00 0.00 C ATOM 919 CG ARG A 61 23.906 12.932 -3.321 1.00 0.00 C ATOM 920 CD ARG A 61 23.669 13.645 -4.642 1.00 0.00 C ATOM 921 NE ARG A 61 23.707 15.098 -4.495 1.00 0.00 N ATOM 922 CZ ARG A 61 23.290 15.942 -5.432 1.00 0.00 C ATOM 923 NH1 ARG A 61 22.806 15.482 -6.577 1.00 0.00 N ATOM 924 NH2 ARG A 61 23.357 17.251 -5.223 1.00 0.00 N ATOM 0 H ARG A 61 20.229 12.309 -1.992 1.00 0.00 H new ATOM 0 HA ARG A 61 21.931 11.326 -4.064 1.00 0.00 H new ATOM 0 HB2 ARG A 61 21.954 13.572 -2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.819 12.664 -1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.590 13.518 -2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 61 24.387 11.972 -3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 61 24.425 13.334 -5.363 1.00 0.00 H new ATOM 0 HD3 ARG A 61 22.702 13.347 -5.046 1.00 0.00 H new ATOM 0 HE ARG A 61 24.074 15.485 -3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 61 22.753 14.477 -6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 61 22.487 16.133 -7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 61 23.729 17.609 -4.343 1.00 0.00 H new ATOM 0 HH22 ARG A 61 23.037 17.899 -5.942 1.00 0.00 H new ATOM 938 N THR A 62 22.260 10.065 -1.025 1.00 0.00 N ATOM 939 CA THR A 62 22.814 8.945 -0.276 1.00 0.00 C ATOM 940 C THR A 62 21.846 7.767 -0.252 1.00 0.00 C ATOM 941 O THR A 62 22.188 6.661 -0.667 1.00 0.00 O ATOM 942 CB THR A 62 23.151 9.348 1.172 1.00 0.00 C ATOM 943 OG1 THR A 62 22.090 10.139 1.719 1.00 0.00 O ATOM 944 CG2 THR A 62 24.454 10.130 1.227 1.00 0.00 C ATOM 0 H THR A 62 21.683 10.698 -0.471 1.00 0.00 H new ATOM 0 HA THR A 62 23.731 8.648 -0.785 1.00 0.00 H new ATOM 0 HB THR A 62 23.267 8.439 1.762 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.311 10.390 2.640 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.671 10.403 2.260 1.00 0.00 H new ATOM 0 HG22 THR A 62 25.265 9.514 0.837 1.00 0.00 H new ATOM 0 HG23 THR A 62 24.362 11.033 0.624 1.00 0.00 H new ATOM 952 N GLY A 63 20.634 8.013 0.238 1.00 0.00 N ATOM 953 CA GLY A 63 19.635 6.963 0.306 1.00 0.00 C ATOM 954 C GLY A 63 19.390 6.488 1.725 1.00 0.00 C ATOM 955 O GLY A 63 18.937 5.364 1.942 1.00 0.00 O ATOM 0 H GLY A 63 20.327 8.920 0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.700 7.327 -0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.956 6.120 -0.306 1.00 0.00 H new ATOM 959 N LYS A 64 19.691 7.345 2.695 1.00 0.00 N ATOM 960 CA LYS A 64 19.502 7.007 4.100 1.00 0.00 C ATOM 961 C LYS A 64 18.459 7.917 4.743 1.00 0.00 C ATOM 962 O LYS A 64 18.001 8.882 4.129 1.00 0.00 O ATOM 963 CB LYS A 64 20.828 7.119 4.856 1.00 0.00 C ATOM 964 CG LYS A 64 21.588 8.402 4.564 1.00 0.00 C ATOM 965 CD LYS A 64 22.632 8.686 5.630 1.00 0.00 C ATOM 966 CE LYS A 64 23.883 7.846 5.422 1.00 0.00 C ATOM 967 NZ LYS A 64 24.821 8.478 4.453 1.00 0.00 N ATOM 0 H LYS A 64 20.067 8.279 2.533 1.00 0.00 H new ATOM 0 HA LYS A 64 19.145 5.979 4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.633 7.058 5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 64 21.457 6.267 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 64 22.072 8.326 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.888 9.236 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.895 9.744 5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.213 8.480 6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 64 24.389 7.705 6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 64 23.600 6.857 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 25.789 8.146 4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 24.546 8.218 3.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 24.784 9.512 4.558 1.00 0.00 H new ATOM 981 N CYS A 65 18.091 7.605 5.980 1.00 0.00 N ATOM 982 CA CYS A 65 17.103 8.396 6.706 1.00 0.00 C ATOM 983 C CYS A 65 17.593 8.720 8.113 1.00 0.00 C ATOM 984 O CYS A 65 18.349 7.953 8.710 1.00 0.00 O ATOM 985 CB CYS A 65 15.772 7.646 6.777 1.00 0.00 C ATOM 986 SG CYS A 65 15.131 7.125 5.169 1.00 0.00 S ATOM 0 H CYS A 65 18.461 6.810 6.502 1.00 0.00 H new ATOM 0 HA CYS A 65 16.957 9.332 6.167 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.896 6.766 7.409 1.00 0.00 H new ATOM 0 HB3 CYS A 65 15.033 8.284 7.261 1.00 0.00 H new ATOM 0 HG CYS A 65 14.004 6.498 5.334 1.00 0.00 H new ATOM 992 N SER A 66 17.160 9.862 8.637 1.00 0.00 N ATOM 993 CA SER A 66 17.559 10.291 9.972 1.00 0.00 C ATOM 994 C SER A 66 16.591 11.335 10.519 1.00 0.00 C ATOM 995 O SER A 66 15.722 11.829 9.801 1.00 0.00 O ATOM 996 CB SER A 66 18.979 10.861 9.944 1.00 0.00 C ATOM 997 OG SER A 66 19.408 11.224 11.245 1.00 0.00 O ATOM 0 H SER A 66 16.532 10.507 8.157 1.00 0.00 H new ATOM 0 HA SER A 66 17.537 9.421 10.628 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.663 10.123 9.525 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.012 11.733 9.290 1.00 0.00 H new ATOM 0 HG SER A 66 19.449 10.425 11.811 1.00 0.00 H new ATOM 1003 N ALA A 67 16.748 11.667 11.797 1.00 0.00 N ATOM 1004 CA ALA A 67 15.890 12.653 12.441 1.00 0.00 C ATOM 1005 C ALA A 67 16.432 14.065 12.244 1.00 0.00 C ATOM 1006 O ALA A 67 17.519 14.252 11.696 1.00 0.00 O ATOM 1007 CB ALA A 67 15.749 12.342 13.924 1.00 0.00 C ATOM 0 H ALA A 67 17.462 11.267 12.406 1.00 0.00 H new ATOM 0 HA ALA A 67 14.906 12.601 11.975 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.105 13.087 14.392 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.309 11.353 14.048 1.00 0.00 H new ATOM 0 HB3 ALA A 67 16.732 12.364 14.395 1.00 0.00 H new ATOM 1013 N CYS A 68 15.668 15.055 12.694 1.00 0.00 N ATOM 1014 CA CYS A 68 16.072 16.450 12.565 1.00 0.00 C ATOM 1015 C CYS A 68 15.300 17.332 13.542 1.00 0.00 C ATOM 1016 O CYS A 68 14.126 17.088 13.817 1.00 0.00 O ATOM 1017 CB CYS A 68 15.848 16.938 11.133 1.00 0.00 C ATOM 1018 SG CYS A 68 17.027 18.196 10.589 1.00 0.00 S ATOM 0 H CYS A 68 14.766 14.917 13.151 1.00 0.00 H new ATOM 0 HA CYS A 68 17.134 16.518 12.802 1.00 0.00 H new ATOM 0 HB2 CYS A 68 15.905 16.085 10.457 1.00 0.00 H new ATOM 0 HB3 CYS A 68 14.839 17.342 11.052 1.00 0.00 H new ATOM 0 HG CYS A 68 16.757 18.543 9.366 1.00 0.00 H new ATOM 1024 N ASN A 69 15.969 18.355 14.063 1.00 0.00 N ATOM 1025 CA ASN A 69 15.346 19.272 15.011 1.00 0.00 C ATOM 1026 C ASN A 69 14.703 18.508 16.164 1.00 0.00 C ATOM 1027 O ASN A 69 13.627 18.869 16.639 1.00 0.00 O ATOM 1028 CB ASN A 69 14.295 20.131 14.306 1.00 0.00 C ATOM 1029 CG ASN A 69 14.803 20.710 12.999 1.00 0.00 C ATOM 1030 OD1 ASN A 69 15.746 21.500 12.982 1.00 0.00 O ATOM 1031 ND2 ASN A 69 14.177 20.317 11.895 1.00 0.00 N ATOM 0 H ASN A 69 16.942 18.570 13.845 1.00 0.00 H new ATOM 0 HA ASN A 69 16.123 19.920 15.416 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.407 19.528 14.113 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.991 20.943 14.966 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.474 20.672 10.986 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.399 19.660 11.956 1.00 0.00 H new ATOM 1038 N VAL A 70 15.372 17.449 16.611 1.00 0.00 N ATOM 1039 CA VAL A 70 14.868 16.635 17.710 1.00 0.00 C ATOM 1040 C VAL A 70 14.511 17.498 18.915 1.00 0.00 C ATOM 1041 O VAL A 70 15.371 18.165 19.490 1.00 0.00 O ATOM 1042 CB VAL A 70 15.898 15.573 18.140 1.00 0.00 C ATOM 1043 CG1 VAL A 70 15.308 14.654 19.199 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.375 14.776 16.936 1.00 0.00 C ATOM 0 H VAL A 70 16.264 17.135 16.228 1.00 0.00 H new ATOM 0 HA VAL A 70 13.970 16.134 17.347 1.00 0.00 H new ATOM 0 HB VAL A 70 16.759 16.082 18.574 1.00 0.00 H new ATOM 0 HG11 VAL A 70 16.050 13.911 19.490 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.021 15.241 20.071 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.429 14.151 18.795 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.102 14.030 17.258 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.525 14.277 16.470 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.840 15.449 16.215 1.00 0.00 H new ATOM 1054 N TRP A 71 13.238 17.479 19.293 1.00 0.00 N ATOM 1055 CA TRP A 71 12.766 18.260 20.431 1.00 0.00 C ATOM 1056 C TRP A 71 12.239 17.349 21.534 1.00 0.00 C ATOM 1057 O TRP A 71 11.511 16.393 21.268 1.00 0.00 O ATOM 1058 CB TRP A 71 11.672 19.233 19.989 1.00 0.00 C ATOM 1059 CG TRP A 71 10.938 19.861 21.135 1.00 0.00 C ATOM 1060 CD1 TRP A 71 9.885 19.329 21.823 1.00 0.00 C ATOM 1061 CD2 TRP A 71 11.201 21.139 21.724 1.00 0.00 C ATOM 1062 NE1 TRP A 71 9.477 20.200 22.805 1.00 0.00 N ATOM 1063 CE2 TRP A 71 10.269 21.317 22.765 1.00 0.00 C ATOM 1064 CE3 TRP A 71 12.134 22.149 21.475 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 10.245 22.465 23.554 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 12.108 23.287 22.258 1.00 0.00 C ATOM 1067 CH2 TRP A 71 11.170 23.437 23.288 1.00 0.00 C ATOM 0 H TRP A 71 12.514 16.931 18.828 1.00 0.00 H new ATOM 0 HA TRP A 71 13.609 18.828 20.826 1.00 0.00 H new ATOM 0 HB2 TRP A 71 12.119 20.018 19.379 1.00 0.00 H new ATOM 0 HB3 TRP A 71 10.959 18.704 19.356 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.439 18.366 21.625 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.709 20.041 23.457 1.00 0.00 H new ATOM 0 HE3 TRP A 71 12.862 22.042 20.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.522 22.583 24.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 12.823 24.075 22.073 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.177 24.338 23.884 1.00 0.00 H new ATOM 1078 N ARG A 72 12.611 17.653 22.774 1.00 0.00 N ATOM 1079 CA ARG A 72 12.175 16.861 23.918 1.00 0.00 C ATOM 1080 C ARG A 72 10.874 17.410 24.495 1.00 0.00 C ATOM 1081 O ARG A 72 10.793 18.580 24.869 1.00 0.00 O ATOM 1082 CB ARG A 72 13.259 16.847 24.997 1.00 0.00 C ATOM 1083 CG ARG A 72 13.159 15.663 25.945 1.00 0.00 C ATOM 1084 CD ARG A 72 13.816 15.963 27.283 1.00 0.00 C ATOM 1085 NE ARG A 72 13.005 16.861 28.102 1.00 0.00 N ATOM 1086 CZ ARG A 72 13.478 17.530 29.147 1.00 0.00 C ATOM 1087 NH1 ARG A 72 14.751 17.404 29.499 1.00 0.00 N ATOM 1088 NH2 ARG A 72 12.678 18.327 29.843 1.00 0.00 N ATOM 0 H ARG A 72 13.213 18.442 23.011 1.00 0.00 H new ATOM 0 HA ARG A 72 11.998 15.841 23.577 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.238 16.836 24.517 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.198 17.770 25.574 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.111 15.409 26.102 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.634 14.792 25.493 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.982 15.031 27.823 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.795 16.412 27.114 1.00 0.00 H new ATOM 0 HE ARG A 72 12.022 16.981 27.858 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.369 16.792 28.966 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.111 17.919 30.302 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.699 18.426 29.576 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.042 18.840 30.646 1.00 0.00 H new ATOM 1102 N VAL A 73 9.857 16.557 24.564 1.00 0.00 N ATOM 1103 CA VAL A 73 8.559 16.955 25.096 1.00 0.00 C ATOM 1104 C VAL A 73 8.356 16.418 26.508 1.00 0.00 C ATOM 1105 O VAL A 73 7.700 17.052 27.336 1.00 0.00 O ATOM 1106 CB VAL A 73 7.409 16.459 24.200 1.00 0.00 C ATOM 1107 CG1 VAL A 73 7.517 17.064 22.808 1.00 0.00 C ATOM 1108 CG2 VAL A 73 7.405 14.940 24.131 1.00 0.00 C ATOM 0 H VAL A 73 9.907 15.585 24.258 1.00 0.00 H new ATOM 0 HA VAL A 73 8.547 18.045 25.119 1.00 0.00 H new ATOM 0 HB VAL A 73 6.465 16.782 24.638 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.696 16.702 22.189 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.466 18.151 22.879 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.466 16.773 22.358 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.586 14.607 23.494 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.351 14.592 23.717 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.275 14.531 25.133 1.00 0.00 H new ATOM 1118 N SER A 74 8.923 15.247 26.778 1.00 0.00 N ATOM 1119 CA SER A 74 8.802 14.622 28.090 1.00 0.00 C ATOM 1120 C SER A 74 10.091 14.784 28.890 1.00 0.00 C ATOM 1121 O SER A 74 11.189 14.725 28.337 1.00 0.00 O ATOM 1122 CB SER A 74 8.462 13.138 27.942 1.00 0.00 C ATOM 1123 OG SER A 74 8.474 12.485 29.200 1.00 0.00 O ATOM 0 H SER A 74 9.471 14.711 26.105 1.00 0.00 H new ATOM 0 HA SER A 74 7.996 15.119 28.629 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.480 13.031 27.482 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.180 12.662 27.274 1.00 0.00 H new ATOM 0 HG SER A 74 8.252 11.538 29.079 1.00 0.00 H new