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 68 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 31 LYS NZ :NH3+ -163:sc= -0.0143 (180deg=-0.166) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0308 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 19 GLN : amide:sc= -0.0727 K(o=-0.073,f=-1.7!) USER MOD Single : A 24 ASN :FLIP amide:sc= 0.231 F(o=-0.47,f=0.23) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.209 USER MOD Single : A 30 SER OG : rot 180:sc= 0.063 USER MOD Single : A 36 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-1.9) USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0722) USER MOD Single : A 41 GLN : amide:sc= -0.567 K(o=-0.57,f=-3.5!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.264 F(o=-1.8,f=-0.26) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 37:sc= 0.699 USER MOD Single : A 74 SER OG : rot 160:sc= -0.654 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.655 14.932 11.462 1.00 0.00 N ATOM 67 CA LEU A 8 6.199 14.806 12.809 1.00 0.00 C ATOM 68 C LEU A 8 5.857 13.446 13.409 1.00 0.00 C ATOM 69 O LEU A 8 4.768 12.915 13.190 1.00 0.00 O ATOM 70 CB LEU A 8 5.659 15.921 13.706 1.00 0.00 C ATOM 71 CG LEU A 8 6.046 17.347 13.311 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.230 18.360 14.099 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.535 17.574 13.527 1.00 0.00 C ATOM 0 HA LEU A 8 7.284 14.893 12.745 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.571 15.852 13.722 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.005 15.741 14.724 1.00 0.00 H new ATOM 0 HG LEU A 8 5.828 17.482 12.252 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.519 19.369 13.804 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.170 18.212 13.894 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.415 18.226 15.165 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.793 18.594 13.241 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.778 17.420 14.578 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.102 16.871 12.917 1.00 0.00 H new ATOM 85 N ARG A 9 6.794 12.887 14.168 1.00 0.00 N ATOM 86 CA ARG A 9 6.592 11.589 14.801 1.00 0.00 C ATOM 87 C ARG A 9 7.253 11.546 16.176 1.00 0.00 C ATOM 88 O ARG A 9 8.365 12.042 16.357 1.00 0.00 O ATOM 89 CB ARG A 9 7.154 10.474 13.917 1.00 0.00 C ATOM 90 CG ARG A 9 6.423 10.319 12.594 1.00 0.00 C ATOM 91 CD ARG A 9 5.097 9.596 12.772 1.00 0.00 C ATOM 92 NE ARG A 9 4.338 9.531 11.526 1.00 0.00 N ATOM 93 CZ ARG A 9 3.288 8.737 11.346 1.00 0.00 C ATOM 94 NH1 ARG A 9 2.876 7.945 12.326 1.00 0.00 N ATOM 95 NH2 ARG A 9 2.649 8.734 10.183 1.00 0.00 N ATOM 0 H ARG A 9 7.701 13.313 14.360 1.00 0.00 H new ATOM 0 HA ARG A 9 5.520 11.437 14.928 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.207 10.675 13.719 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.106 9.531 14.462 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.247 11.302 12.157 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.049 9.766 11.894 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.281 8.586 13.138 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.505 10.107 13.531 1.00 0.00 H new ATOM 0 HE ARG A 9 4.630 10.128 10.752 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.365 7.944 13.221 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.070 7.336 12.185 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.964 9.341 9.427 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.843 8.124 10.046 1.00 0.00 H new ATOM 109 N ARG A 10 6.560 10.949 17.140 1.00 0.00 N ATOM 110 CA ARG A 10 7.079 10.842 18.499 1.00 0.00 C ATOM 111 C ARG A 10 7.578 9.428 18.781 1.00 0.00 C ATOM 112 O ARG A 10 6.989 8.449 18.323 1.00 0.00 O ATOM 113 CB ARG A 10 5.998 11.225 19.512 1.00 0.00 C ATOM 114 CG ARG A 10 5.959 12.711 19.828 1.00 0.00 C ATOM 115 CD ARG A 10 5.187 12.988 21.109 1.00 0.00 C ATOM 116 NE ARG A 10 3.873 12.351 21.104 1.00 0.00 N ATOM 117 CZ ARG A 10 2.833 12.817 20.421 1.00 0.00 C ATOM 118 NH1 ARG A 10 2.954 13.916 19.691 1.00 0.00 N ATOM 119 NH2 ARG A 10 1.669 12.181 20.467 1.00 0.00 N ATOM 0 H ARG A 10 5.639 10.532 17.006 1.00 0.00 H new ATOM 0 HA ARG A 10 7.918 11.531 18.596 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.026 10.918 19.126 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.164 10.670 20.435 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.976 13.090 19.926 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.497 13.248 19.000 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.761 12.629 21.963 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.068 14.064 21.235 1.00 0.00 H new ATOM 0 HE ARG A 10 3.747 11.502 21.655 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.847 14.407 19.652 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.154 14.271 19.168 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.572 11.334 21.027 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.871 12.539 19.942 1.00 0.00 H new ATOM 133 N ALA A 11 8.666 9.330 19.537 1.00 0.00 N ATOM 134 CA ALA A 11 9.243 8.036 19.881 1.00 0.00 C ATOM 135 C ALA A 11 10.213 8.161 21.051 1.00 0.00 C ATOM 136 O ALA A 11 10.773 9.230 21.296 1.00 0.00 O ATOM 137 CB ALA A 11 9.944 7.433 18.673 1.00 0.00 C ATOM 0 H ALA A 11 9.166 10.131 19.923 1.00 0.00 H new ATOM 0 HA ALA A 11 8.433 7.373 20.185 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.370 6.467 18.944 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.225 7.298 17.865 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.740 8.101 18.343 1.00 0.00 H new ATOM 143 N THR A 12 10.409 7.061 21.772 1.00 0.00 N ATOM 144 CA THR A 12 11.310 7.048 22.917 1.00 0.00 C ATOM 145 C THR A 12 12.678 6.496 22.534 1.00 0.00 C ATOM 146 O THR A 12 12.781 5.562 21.739 1.00 0.00 O ATOM 147 CB THR A 12 10.736 6.209 24.074 1.00 0.00 C ATOM 148 OG1 THR A 12 10.050 5.064 23.556 1.00 0.00 O ATOM 149 CG2 THR A 12 9.782 7.037 24.922 1.00 0.00 C ATOM 0 H THR A 12 9.955 6.167 21.583 1.00 0.00 H new ATOM 0 HA THR A 12 11.418 8.082 23.246 1.00 0.00 H new ATOM 0 HB THR A 12 11.565 5.882 24.702 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.690 4.535 24.298 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.389 6.423 25.733 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.314 7.892 25.339 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.958 7.390 24.303 1.00 0.00 H new ATOM 157 N VAL A 13 13.727 7.080 23.105 1.00 0.00 N ATOM 158 CA VAL A 13 15.090 6.644 22.824 1.00 0.00 C ATOM 159 C VAL A 13 15.450 5.406 23.637 1.00 0.00 C ATOM 160 O VAL A 13 14.973 5.227 24.757 1.00 0.00 O ATOM 161 CB VAL A 13 16.109 7.759 23.128 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.507 7.335 22.702 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.703 9.054 22.442 1.00 0.00 C ATOM 0 H VAL A 13 13.659 7.855 23.764 1.00 0.00 H new ATOM 0 HA VAL A 13 15.133 6.402 21.762 1.00 0.00 H new ATOM 0 HB VAL A 13 16.120 7.934 24.204 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.213 8.135 22.924 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.795 6.435 23.245 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.515 7.131 21.631 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.434 9.830 22.668 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.661 8.897 21.364 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.722 9.364 22.802 1.00 0.00 H new ATOM 173 N GLU A 14 16.295 4.554 23.064 1.00 0.00 N ATOM 174 CA GLU A 14 16.718 3.331 23.737 1.00 0.00 C ATOM 175 C GLU A 14 17.832 3.619 24.739 1.00 0.00 C ATOM 176 O GLU A 14 17.731 3.264 25.914 1.00 0.00 O ATOM 177 CB GLU A 14 17.193 2.298 22.713 1.00 0.00 C ATOM 178 CG GLU A 14 17.460 0.927 23.311 1.00 0.00 C ATOM 179 CD GLU A 14 16.193 0.113 23.492 1.00 0.00 C ATOM 180 OE1 GLU A 14 15.788 -0.577 22.534 1.00 0.00 O ATOM 181 OE2 GLU A 14 15.607 0.167 24.594 1.00 0.00 O ATOM 0 H GLU A 14 16.699 4.688 22.137 1.00 0.00 H new ATOM 0 HA GLU A 14 15.861 2.929 24.278 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.441 2.203 21.929 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.104 2.662 22.238 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.149 0.381 22.666 1.00 0.00 H new ATOM 0 HG3 GLU A 14 17.953 1.045 24.276 1.00 0.00 H new ATOM 188 N CYS A 15 18.893 4.264 24.267 1.00 0.00 N ATOM 189 CA CYS A 15 20.027 4.599 25.120 1.00 0.00 C ATOM 190 C CYS A 15 20.886 5.686 24.482 1.00 0.00 C ATOM 191 O CYS A 15 21.181 5.637 23.288 1.00 0.00 O ATOM 192 CB CYS A 15 20.874 3.355 25.390 1.00 0.00 C ATOM 193 SG CYS A 15 21.345 2.445 23.900 1.00 0.00 S ATOM 0 H CYS A 15 18.991 4.565 23.298 1.00 0.00 H new ATOM 0 HA CYS A 15 19.639 4.977 26.066 1.00 0.00 H new ATOM 0 HB2 CYS A 15 21.778 3.652 25.922 1.00 0.00 H new ATOM 0 HB3 CYS A 15 20.320 2.688 26.050 1.00 0.00 H new ATOM 0 HG CYS A 15 22.061 1.412 24.231 1.00 0.00 H new ATOM 199 N VAL A 16 21.283 6.668 25.285 1.00 0.00 N ATOM 200 CA VAL A 16 22.107 7.767 24.799 1.00 0.00 C ATOM 201 C VAL A 16 23.341 7.957 25.674 1.00 0.00 C ATOM 202 O VAL A 16 23.270 8.558 26.746 1.00 0.00 O ATOM 203 CB VAL A 16 21.314 9.087 24.756 1.00 0.00 C ATOM 204 CG1 VAL A 16 22.171 10.207 24.185 1.00 0.00 C ATOM 205 CG2 VAL A 16 20.038 8.915 23.945 1.00 0.00 C ATOM 0 H VAL A 16 21.047 6.724 26.276 1.00 0.00 H new ATOM 0 HA VAL A 16 22.419 7.506 23.788 1.00 0.00 H new ATOM 0 HB VAL A 16 21.037 9.358 25.775 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.594 11.131 24.162 1.00 0.00 H new ATOM 0 HG12 VAL A 16 23.053 10.345 24.810 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.481 9.948 23.173 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.490 9.857 23.925 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.291 8.621 22.926 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.418 8.144 24.402 1.00 0.00 H new ATOM 215 N LYS A 17 24.474 7.441 25.209 1.00 0.00 N ATOM 216 CA LYS A 17 25.727 7.555 25.946 1.00 0.00 C ATOM 217 C LYS A 17 26.810 8.193 25.084 1.00 0.00 C ATOM 218 O LYS A 17 27.607 8.998 25.566 1.00 0.00 O ATOM 219 CB LYS A 17 26.187 6.176 26.425 1.00 0.00 C ATOM 220 CG LYS A 17 26.201 5.125 25.328 1.00 0.00 C ATOM 221 CD LYS A 17 26.400 3.729 25.896 1.00 0.00 C ATOM 222 CE LYS A 17 27.875 3.366 25.977 1.00 0.00 C ATOM 223 NZ LYS A 17 28.076 1.959 26.422 1.00 0.00 N ATOM 0 H LYS A 17 24.550 6.939 24.324 1.00 0.00 H new ATOM 0 HA LYS A 17 25.554 8.195 26.811 1.00 0.00 H new ATOM 0 HB2 LYS A 17 27.188 6.262 26.847 1.00 0.00 H new ATOM 0 HB3 LYS A 17 25.530 5.842 27.228 1.00 0.00 H new ATOM 0 HG2 LYS A 17 25.263 5.163 24.774 1.00 0.00 H new ATOM 0 HG3 LYS A 17 26.999 5.348 24.619 1.00 0.00 H new ATOM 0 HD2 LYS A 17 25.955 3.672 26.889 1.00 0.00 H new ATOM 0 HD3 LYS A 17 25.879 3.003 25.272 1.00 0.00 H new ATOM 0 HE2 LYS A 17 28.338 3.508 25.001 1.00 0.00 H new ATOM 0 HE3 LYS A 17 28.378 4.041 26.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 29.094 1.750 26.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 27.656 1.830 27.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 27.618 1.313 25.748 1.00 0.00 H new ATOM 237 N ASP A 18 26.834 7.830 23.806 1.00 0.00 N ATOM 238 CA ASP A 18 27.818 8.370 22.875 1.00 0.00 C ATOM 239 C ASP A 18 27.252 9.569 22.121 1.00 0.00 C ATOM 240 O ASP A 18 26.065 9.875 22.225 1.00 0.00 O ATOM 241 CB ASP A 18 28.260 7.291 21.885 1.00 0.00 C ATOM 242 CG ASP A 18 29.126 6.229 22.535 1.00 0.00 C ATOM 243 OD1 ASP A 18 29.866 6.565 23.483 1.00 0.00 O ATOM 244 OD2 ASP A 18 29.061 5.062 22.095 1.00 0.00 O ATOM 0 H ASP A 18 26.183 7.164 23.391 1.00 0.00 H new ATOM 0 HA ASP A 18 28.683 8.701 23.450 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.379 6.820 21.448 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.812 7.756 21.068 1.00 0.00 H new ATOM 249 N GLN A 19 28.111 10.244 21.364 1.00 0.00 N ATOM 250 CA GLN A 19 27.697 11.411 20.594 1.00 0.00 C ATOM 251 C GLN A 19 26.480 11.090 19.731 1.00 0.00 C ATOM 252 O GLN A 19 25.660 11.963 19.447 1.00 0.00 O ATOM 253 CB GLN A 19 28.846 11.901 19.712 1.00 0.00 C ATOM 254 CG GLN A 19 29.881 12.723 20.464 1.00 0.00 C ATOM 255 CD GLN A 19 31.203 12.812 19.727 1.00 0.00 C ATOM 256 OE1 GLN A 19 31.539 11.941 18.924 1.00 0.00 O ATOM 257 NE2 GLN A 19 31.963 13.867 19.998 1.00 0.00 N ATOM 0 H GLN A 19 29.097 10.003 21.267 1.00 0.00 H new ATOM 0 HA GLN A 19 27.425 12.200 21.296 1.00 0.00 H new ATOM 0 HB2 GLN A 19 29.337 11.040 19.258 1.00 0.00 H new ATOM 0 HB3 GLN A 19 28.438 12.501 18.898 1.00 0.00 H new ATOM 0 HG2 GLN A 19 29.492 13.728 20.628 1.00 0.00 H new ATOM 0 HG3 GLN A 19 30.046 12.281 21.447 1.00 0.00 H new ATOM 0 HE21 GLN A 19 31.645 14.565 20.671 1.00 0.00 H new ATOM 0 HE22 GLN A 19 32.864 13.979 19.534 1.00 0.00 H new ATOM 266 N PHE A 20 26.370 9.832 19.318 1.00 0.00 N ATOM 267 CA PHE A 20 25.254 9.396 18.486 1.00 0.00 C ATOM 268 C PHE A 20 24.444 8.310 19.189 1.00 0.00 C ATOM 269 O PHE A 20 25.003 7.419 19.827 1.00 0.00 O ATOM 270 CB PHE A 20 25.765 8.877 17.141 1.00 0.00 C ATOM 271 CG PHE A 20 26.650 7.670 17.261 1.00 0.00 C ATOM 272 CD1 PHE A 20 28.011 7.810 17.481 1.00 0.00 C ATOM 273 CD2 PHE A 20 26.121 6.394 17.154 1.00 0.00 C ATOM 274 CE1 PHE A 20 28.828 6.701 17.592 1.00 0.00 C ATOM 275 CE2 PHE A 20 26.933 5.281 17.265 1.00 0.00 C ATOM 276 CZ PHE A 20 28.288 5.435 17.483 1.00 0.00 C ATOM 0 H PHE A 20 27.039 9.097 19.545 1.00 0.00 H new ATOM 0 HA PHE A 20 24.605 10.254 18.313 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.912 8.631 16.508 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.315 9.673 16.639 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.439 8.798 17.567 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.062 6.268 16.982 1.00 0.00 H new ATOM 0 HE1 PHE A 20 29.887 6.824 17.764 1.00 0.00 H new ATOM 0 HE2 PHE A 20 26.508 4.292 17.181 1.00 0.00 H new ATOM 0 HZ PHE A 20 28.924 4.566 17.568 1.00 0.00 H new ATOM 286 N GLY A 21 23.123 8.392 19.065 1.00 0.00 N ATOM 287 CA GLY A 21 22.257 7.411 19.693 1.00 0.00 C ATOM 288 C GLY A 21 21.247 6.826 18.727 1.00 0.00 C ATOM 289 O GLY A 21 21.180 7.232 17.566 1.00 0.00 O ATOM 0 H GLY A 21 22.637 9.120 18.541 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.865 6.608 20.109 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.731 7.876 20.526 1.00 0.00 H new ATOM 293 N PHE A 22 20.460 5.867 19.204 1.00 0.00 N ATOM 294 CA PHE A 22 19.450 5.223 18.373 1.00 0.00 C ATOM 295 C PHE A 22 18.070 5.325 19.016 1.00 0.00 C ATOM 296 O PHE A 22 17.918 5.120 20.221 1.00 0.00 O ATOM 297 CB PHE A 22 19.810 3.754 18.142 1.00 0.00 C ATOM 298 CG PHE A 22 20.881 3.554 17.108 1.00 0.00 C ATOM 299 CD1 PHE A 22 20.556 3.459 15.765 1.00 0.00 C ATOM 300 CD2 PHE A 22 22.212 3.461 17.480 1.00 0.00 C ATOM 301 CE1 PHE A 22 21.539 3.276 14.811 1.00 0.00 C ATOM 302 CE2 PHE A 22 23.200 3.279 16.531 1.00 0.00 C ATOM 303 CZ PHE A 22 22.863 3.184 15.195 1.00 0.00 C ATOM 0 H PHE A 22 20.503 5.519 20.162 1.00 0.00 H new ATOM 0 HA PHE A 22 19.423 5.739 17.413 1.00 0.00 H new ATOM 0 HB2 PHE A 22 20.140 3.317 19.084 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.915 3.213 17.836 1.00 0.00 H new ATOM 0 HD1 PHE A 22 19.522 3.529 15.460 1.00 0.00 H new ATOM 0 HD2 PHE A 22 22.481 3.532 18.524 1.00 0.00 H new ATOM 0 HE1 PHE A 22 21.273 3.205 13.767 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.234 3.211 16.834 1.00 0.00 H new ATOM 0 HZ PHE A 22 23.633 3.038 14.452 1.00 0.00 H new ATOM 313 N ILE A 23 17.067 5.644 18.205 1.00 0.00 N ATOM 314 CA ILE A 23 15.700 5.773 18.694 1.00 0.00 C ATOM 315 C ILE A 23 14.870 4.546 18.335 1.00 0.00 C ATOM 316 O ILE A 23 15.066 3.937 17.284 1.00 0.00 O ATOM 317 CB ILE A 23 15.014 7.029 18.123 1.00 0.00 C ATOM 318 CG1 ILE A 23 15.890 8.263 18.350 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.645 7.219 18.759 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.345 9.518 17.705 1.00 0.00 C ATOM 0 H ILE A 23 17.176 5.818 17.206 1.00 0.00 H new ATOM 0 HA ILE A 23 15.760 5.863 19.779 1.00 0.00 H new ATOM 0 HB ILE A 23 14.879 6.896 17.050 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.995 8.431 19.422 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.888 8.067 17.958 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.172 8.110 18.346 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.023 6.349 18.550 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.758 7.335 19.837 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.017 10.352 17.907 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.266 9.369 16.628 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.359 9.739 18.114 1.00 0.00 H new ATOM 332 N ASN A 24 13.939 4.190 19.214 1.00 0.00 N ATOM 333 CA ASN A 24 13.077 3.036 18.989 1.00 0.00 C ATOM 334 C ASN A 24 11.942 3.383 18.030 1.00 0.00 C ATOM 335 O ASN A 24 10.776 3.425 18.421 1.00 0.00 O ATOM 336 CB ASN A 24 12.503 2.536 20.316 1.00 0.00 C ATOM 337 CG ASN A 24 13.522 1.767 21.135 1.00 0.00 C ATOM 338 OD1 ASN A 24 13.550 2.024 22.437 1.00 0.00 O flip ATOM 339 ND2 ASN A 24 14.275 0.952 20.602 1.00 0.00 N flip ATOM 0 H ASN A 24 13.762 4.684 20.089 1.00 0.00 H new ATOM 0 HA ASN A 24 13.679 2.246 18.540 1.00 0.00 H new ATOM 0 HB2 ASN A 24 12.142 3.386 20.896 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.643 1.896 20.118 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.218 0.786 19.597 1.00 0.00 H new ATOM 0 HD22 ASN A 24 14.956 0.442 21.165 1.00 0.00 H new ATOM 346 N TYR A 25 12.293 3.631 16.773 1.00 0.00 N ATOM 347 CA TYR A 25 11.305 3.976 15.758 1.00 0.00 C ATOM 348 C TYR A 25 11.507 3.144 14.496 1.00 0.00 C ATOM 349 O TYR A 25 12.636 2.920 14.061 1.00 0.00 O ATOM 350 CB TYR A 25 11.390 5.465 15.419 1.00 0.00 C ATOM 351 CG TYR A 25 10.253 5.955 14.552 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.940 5.914 15.004 1.00 0.00 C ATOM 353 CD2 TYR A 25 10.491 6.460 13.280 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.898 6.359 14.215 1.00 0.00 C ATOM 355 CE2 TYR A 25 9.455 6.910 12.484 1.00 0.00 C ATOM 356 CZ TYR A 25 8.160 6.857 12.955 1.00 0.00 C ATOM 357 OH TYR A 25 7.125 7.303 12.166 1.00 0.00 O ATOM 0 H TYR A 25 13.254 3.600 16.433 1.00 0.00 H new ATOM 0 HA TYR A 25 10.316 3.757 16.161 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.403 6.040 16.345 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.334 5.660 14.910 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.731 5.527 15.990 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.504 6.502 12.907 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.883 6.318 14.582 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.658 7.301 11.498 1.00 0.00 H new ATOM 0 HH TYR A 25 7.480 7.623 11.310 1.00 0.00 H new ATOM 367 N GLU A 26 10.403 2.688 13.912 1.00 0.00 N ATOM 368 CA GLU A 26 10.458 1.880 12.699 1.00 0.00 C ATOM 369 C GLU A 26 10.088 2.711 11.474 1.00 0.00 C ATOM 370 O GLU A 26 8.986 3.255 11.389 1.00 0.00 O ATOM 371 CB GLU A 26 9.518 0.679 12.817 1.00 0.00 C ATOM 372 CG GLU A 26 9.864 -0.460 11.872 1.00 0.00 C ATOM 373 CD GLU A 26 9.129 -1.742 12.211 1.00 0.00 C ATOM 374 OE1 GLU A 26 9.566 -2.447 13.145 1.00 0.00 O ATOM 375 OE2 GLU A 26 8.118 -2.041 11.542 1.00 0.00 O ATOM 0 H GLU A 26 9.460 2.864 14.259 1.00 0.00 H new ATOM 0 HA GLU A 26 11.480 1.522 12.578 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.541 0.309 13.842 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.497 1.006 12.620 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.622 -0.166 10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.938 -0.642 11.906 1.00 0.00 H new ATOM 382 N VAL A 27 11.016 2.806 10.528 1.00 0.00 N ATOM 383 CA VAL A 27 10.789 3.570 9.307 1.00 0.00 C ATOM 384 C VAL A 27 10.861 2.673 8.076 1.00 0.00 C ATOM 385 O VAL A 27 11.320 3.094 7.015 1.00 0.00 O ATOM 386 CB VAL A 27 11.814 4.710 9.159 1.00 0.00 C ATOM 387 CG1 VAL A 27 11.651 5.724 10.282 1.00 0.00 C ATOM 388 CG2 VAL A 27 13.229 4.153 9.134 1.00 0.00 C ATOM 0 H VAL A 27 11.933 2.363 10.583 1.00 0.00 H new ATOM 0 HA VAL A 27 9.790 3.998 9.383 1.00 0.00 H new ATOM 0 HB VAL A 27 11.631 5.219 8.213 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.384 6.522 10.161 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.646 6.146 10.249 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.806 5.232 11.242 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.941 4.972 9.029 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.426 3.618 10.063 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.336 3.469 8.292 1.00 0.00 H new ATOM 398 N GLY A 28 10.404 1.434 8.226 1.00 0.00 N ATOM 399 CA GLY A 28 10.425 0.496 7.118 1.00 0.00 C ATOM 400 C GLY A 28 11.436 -0.615 7.319 1.00 0.00 C ATOM 401 O GLY A 28 11.175 -1.578 8.040 1.00 0.00 O ATOM 0 H GLY A 28 10.020 1.063 9.095 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.433 0.062 6.994 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.656 1.031 6.197 1.00 0.00 H new ATOM 405 N ASP A 29 12.592 -0.484 6.679 1.00 0.00 N ATOM 406 CA ASP A 29 13.646 -1.486 6.790 1.00 0.00 C ATOM 407 C ASP A 29 14.247 -1.489 8.192 1.00 0.00 C ATOM 408 O ASP A 29 14.019 -2.412 8.974 1.00 0.00 O ATOM 409 CB ASP A 29 14.740 -1.224 5.753 1.00 0.00 C ATOM 410 CG ASP A 29 15.889 -2.207 5.863 1.00 0.00 C ATOM 411 OD1 ASP A 29 15.655 -3.345 6.323 1.00 0.00 O ATOM 412 OD2 ASP A 29 17.021 -1.840 5.487 1.00 0.00 O ATOM 0 H ASP A 29 12.824 0.307 6.077 1.00 0.00 H new ATOM 0 HA ASP A 29 13.204 -2.465 6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.310 -1.282 4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.120 -0.210 5.878 1.00 0.00 H new ATOM 417 N SER A 30 15.018 -0.452 8.502 1.00 0.00 N ATOM 418 CA SER A 30 15.656 -0.337 9.809 1.00 0.00 C ATOM 419 C SER A 30 14.617 -0.371 10.926 1.00 0.00 C ATOM 420 O SER A 30 13.560 0.252 10.825 1.00 0.00 O ATOM 421 CB SER A 30 16.469 0.956 9.891 1.00 0.00 C ATOM 422 OG SER A 30 17.010 1.300 8.627 1.00 0.00 O ATOM 0 H SER A 30 15.216 0.321 7.866 1.00 0.00 H new ATOM 0 HA SER A 30 16.326 -1.187 9.935 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.834 1.766 10.251 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.275 0.837 10.615 1.00 0.00 H new ATOM 0 HG SER A 30 17.524 2.131 8.706 1.00 0.00 H new ATOM 428 N LYS A 31 14.926 -1.103 11.990 1.00 0.00 N ATOM 429 CA LYS A 31 14.022 -1.218 13.128 1.00 0.00 C ATOM 430 C LYS A 31 14.133 0.001 14.038 1.00 0.00 C ATOM 431 O LYS A 31 13.173 0.377 14.711 1.00 0.00 O ATOM 432 CB LYS A 31 14.329 -2.490 13.923 1.00 0.00 C ATOM 433 CG LYS A 31 15.677 -2.460 14.622 1.00 0.00 C ATOM 434 CD LYS A 31 16.256 -3.856 14.778 1.00 0.00 C ATOM 435 CE LYS A 31 15.671 -4.570 15.987 1.00 0.00 C ATOM 436 NZ LYS A 31 16.185 -4.006 17.266 1.00 0.00 N ATOM 0 H LYS A 31 15.796 -1.626 12.088 1.00 0.00 H new ATOM 0 HA LYS A 31 13.003 -1.272 12.745 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.547 -2.641 14.667 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.298 -3.346 13.249 1.00 0.00 H new ATOM 0 HG2 LYS A 31 16.369 -1.840 14.053 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.569 -1.998 15.603 1.00 0.00 H new ATOM 0 HD2 LYS A 31 16.055 -4.437 13.878 1.00 0.00 H new ATOM 0 HD3 LYS A 31 17.339 -3.792 14.881 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.584 -4.490 15.965 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.913 -5.631 15.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.004 -4.678 18.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 17.208 -3.838 17.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.702 -3.107 17.468 1.00 0.00 H new ATOM 450 N LYS A 32 15.311 0.617 14.053 1.00 0.00 N ATOM 451 CA LYS A 32 15.548 1.796 14.877 1.00 0.00 C ATOM 452 C LYS A 32 15.956 2.988 14.017 1.00 0.00 C ATOM 453 O LYS A 32 16.232 2.841 12.825 1.00 0.00 O ATOM 454 CB LYS A 32 16.634 1.508 15.916 1.00 0.00 C ATOM 455 CG LYS A 32 16.186 0.563 17.017 1.00 0.00 C ATOM 456 CD LYS A 32 16.980 0.780 18.295 1.00 0.00 C ATOM 457 CE LYS A 32 16.921 -0.439 19.202 1.00 0.00 C ATOM 458 NZ LYS A 32 17.921 -1.471 18.811 1.00 0.00 N ATOM 0 H LYS A 32 16.117 0.318 13.503 1.00 0.00 H new ATOM 0 HA LYS A 32 14.619 2.042 15.391 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.502 1.081 15.413 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.955 2.448 16.364 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.125 0.713 17.217 1.00 0.00 H new ATOM 0 HG3 LYS A 32 16.305 -0.468 16.684 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.018 1.000 18.047 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.588 1.648 18.825 1.00 0.00 H new ATOM 0 HE2 LYS A 32 17.099 -0.133 20.233 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.921 -0.871 19.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.849 -2.286 19.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 17.736 -1.782 17.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.878 -1.067 18.870 1.00 0.00 H new ATOM 472 N LEU A 33 15.993 4.167 14.627 1.00 0.00 N ATOM 473 CA LEU A 33 16.369 5.385 13.918 1.00 0.00 C ATOM 474 C LEU A 33 17.727 5.893 14.390 1.00 0.00 C ATOM 475 O LEU A 33 18.154 5.607 15.509 1.00 0.00 O ATOM 476 CB LEU A 33 15.307 6.467 14.123 1.00 0.00 C ATOM 477 CG LEU A 33 15.255 7.566 13.061 1.00 0.00 C ATOM 478 CD1 LEU A 33 14.960 6.972 11.693 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.212 8.612 13.427 1.00 0.00 C ATOM 0 H LEU A 33 15.767 4.306 15.612 1.00 0.00 H new ATOM 0 HA LEU A 33 16.439 5.150 12.856 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.330 5.985 14.167 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.476 6.935 15.093 1.00 0.00 H new ATOM 0 HG LEU A 33 16.230 8.053 13.020 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.927 7.769 10.950 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.743 6.261 11.428 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.998 6.459 11.719 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.189 9.386 12.660 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.232 8.140 13.496 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.467 9.060 14.387 1.00 0.00 H new ATOM 491 N PHE A 34 18.402 6.650 13.531 1.00 0.00 N ATOM 492 CA PHE A 34 19.711 7.200 13.861 1.00 0.00 C ATOM 493 C PHE A 34 19.669 8.725 13.894 1.00 0.00 C ATOM 494 O PHE A 34 18.993 9.356 13.081 1.00 0.00 O ATOM 495 CB PHE A 34 20.755 6.729 12.846 1.00 0.00 C ATOM 496 CG PHE A 34 22.104 7.362 13.037 1.00 0.00 C ATOM 497 CD1 PHE A 34 22.928 6.968 14.079 1.00 0.00 C ATOM 498 CD2 PHE A 34 22.548 8.351 12.174 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.170 7.548 14.257 1.00 0.00 C ATOM 500 CE2 PHE A 34 23.790 8.934 12.347 1.00 0.00 C ATOM 501 CZ PHE A 34 24.601 8.533 13.390 1.00 0.00 C ATOM 0 H PHE A 34 18.064 6.896 12.601 1.00 0.00 H new ATOM 0 HA PHE A 34 19.989 6.841 14.852 1.00 0.00 H new ATOM 0 HB2 PHE A 34 20.857 5.646 12.917 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.398 6.950 11.840 1.00 0.00 H new ATOM 0 HD1 PHE A 34 22.596 6.199 14.760 1.00 0.00 H new ATOM 0 HD2 PHE A 34 21.917 8.670 11.357 1.00 0.00 H new ATOM 0 HE1 PHE A 34 24.803 7.231 15.073 1.00 0.00 H new ATOM 0 HE2 PHE A 34 24.125 9.703 11.667 1.00 0.00 H new ATOM 0 HZ PHE A 34 25.570 8.989 13.528 1.00 0.00 H new ATOM 511 N PHE A 35 20.395 9.310 14.840 1.00 0.00 N ATOM 512 CA PHE A 35 20.439 10.761 14.982 1.00 0.00 C ATOM 513 C PHE A 35 21.704 11.197 15.715 1.00 0.00 C ATOM 514 O PHE A 35 22.269 10.441 16.506 1.00 0.00 O ATOM 515 CB PHE A 35 19.203 11.260 15.733 1.00 0.00 C ATOM 516 CG PHE A 35 19.225 10.944 17.201 1.00 0.00 C ATOM 517 CD1 PHE A 35 18.971 9.658 17.650 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.500 11.932 18.132 1.00 0.00 C ATOM 519 CE1 PHE A 35 18.991 9.364 19.001 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.522 11.644 19.483 1.00 0.00 C ATOM 521 CZ PHE A 35 19.266 10.358 19.918 1.00 0.00 C ATOM 0 H PHE A 35 20.961 8.802 15.520 1.00 0.00 H new ATOM 0 HA PHE A 35 20.449 11.198 13.984 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.120 12.339 15.603 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.313 10.816 15.287 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.755 8.876 16.937 1.00 0.00 H new ATOM 0 HD2 PHE A 35 19.700 12.939 17.798 1.00 0.00 H new ATOM 0 HE1 PHE A 35 18.792 8.358 19.338 1.00 0.00 H new ATOM 0 HE2 PHE A 35 19.739 12.423 20.198 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.281 10.131 20.974 1.00 0.00 H new ATOM 531 N HIS A 36 22.143 12.423 15.447 1.00 0.00 N ATOM 532 CA HIS A 36 23.342 12.961 16.081 1.00 0.00 C ATOM 533 C HIS A 36 22.985 14.079 17.056 1.00 0.00 C ATOM 534 O HIS A 36 21.867 14.594 17.044 1.00 0.00 O ATOM 535 CB HIS A 36 24.314 13.483 15.023 1.00 0.00 C ATOM 536 CG HIS A 36 25.724 13.606 15.513 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.371 14.816 15.645 1.00 0.00 N ATOM 538 CD2 HIS A 36 26.610 12.662 15.906 1.00 0.00 C ATOM 539 CE1 HIS A 36 27.596 14.611 16.097 1.00 0.00 C ATOM 540 NE2 HIS A 36 27.766 13.311 16.264 1.00 0.00 N ATOM 0 H HIS A 36 21.687 13.062 14.796 1.00 0.00 H new ATOM 0 HA HIS A 36 23.821 12.156 16.638 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.294 12.815 14.162 1.00 0.00 H new ATOM 0 HB3 HIS A 36 23.972 14.458 14.677 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.440 11.596 15.933 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.332 15.375 16.296 1.00 0.00 H new ATOM 0 HE2 HIS A 36 28.617 12.863 16.603 1.00 0.00 H new ATOM 548 N VAL A 37 23.942 14.450 17.901 1.00 0.00 N ATOM 549 CA VAL A 37 23.729 15.507 18.882 1.00 0.00 C ATOM 550 C VAL A 37 23.423 16.836 18.201 1.00 0.00 C ATOM 551 O VAL A 37 22.783 17.712 18.782 1.00 0.00 O ATOM 552 CB VAL A 37 24.958 15.681 19.795 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.075 14.513 20.762 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.223 15.824 18.963 1.00 0.00 C ATOM 0 H VAL A 37 24.873 14.034 17.926 1.00 0.00 H new ATOM 0 HA VAL A 37 22.874 15.208 19.489 1.00 0.00 H new ATOM 0 HB VAL A 37 24.829 16.593 20.379 1.00 0.00 H new ATOM 0 HG11 VAL A 37 25.949 14.654 21.398 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.179 14.462 21.381 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.181 13.585 20.200 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.081 15.946 19.624 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.359 14.932 18.352 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.136 16.697 18.316 1.00 0.00 H new ATOM 564 N LYS A 38 23.885 16.980 16.963 1.00 0.00 N ATOM 565 CA LYS A 38 23.660 18.201 16.199 1.00 0.00 C ATOM 566 C LYS A 38 22.172 18.413 15.938 1.00 0.00 C ATOM 567 O LYS A 38 21.694 19.546 15.903 1.00 0.00 O ATOM 568 CB LYS A 38 24.419 18.145 14.872 1.00 0.00 C ATOM 569 CG LYS A 38 23.851 17.136 13.889 1.00 0.00 C ATOM 570 CD LYS A 38 24.940 16.533 13.017 1.00 0.00 C ATOM 571 CE LYS A 38 25.290 17.446 11.852 1.00 0.00 C ATOM 572 NZ LYS A 38 24.242 17.421 10.794 1.00 0.00 N ATOM 0 H LYS A 38 24.418 16.265 16.467 1.00 0.00 H new ATOM 0 HA LYS A 38 24.031 19.041 16.787 1.00 0.00 H new ATOM 0 HB2 LYS A 38 24.406 19.134 14.413 1.00 0.00 H new ATOM 0 HB3 LYS A 38 25.462 17.899 15.070 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.340 16.343 14.435 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.106 17.621 13.259 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.831 16.351 13.619 1.00 0.00 H new ATOM 0 HD3 LYS A 38 24.610 15.566 12.637 1.00 0.00 H new ATOM 0 HE2 LYS A 38 25.416 18.466 12.215 1.00 0.00 H new ATOM 0 HE3 LYS A 38 26.245 17.140 11.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 24.596 17.902 9.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.007 16.435 10.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 23.390 17.908 11.138 1.00 0.00 H new ATOM 586 N GLU A 39 21.446 17.314 15.755 1.00 0.00 N ATOM 587 CA GLU A 39 20.012 17.382 15.497 1.00 0.00 C ATOM 588 C GLU A 39 19.291 18.118 16.623 1.00 0.00 C ATOM 589 O GLU A 39 18.756 19.208 16.424 1.00 0.00 O ATOM 590 CB GLU A 39 19.433 15.974 15.340 1.00 0.00 C ATOM 591 CG GLU A 39 19.596 15.401 13.943 1.00 0.00 C ATOM 592 CD GLU A 39 21.017 15.518 13.426 1.00 0.00 C ATOM 593 OE1 GLU A 39 21.867 14.702 13.840 1.00 0.00 O ATOM 594 OE2 GLU A 39 21.280 16.425 12.610 1.00 0.00 O ATOM 0 H GLU A 39 21.826 16.368 15.781 1.00 0.00 H new ATOM 0 HA GLU A 39 19.861 17.935 14.570 1.00 0.00 H new ATOM 0 HB2 GLU A 39 19.918 15.309 16.055 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.373 15.996 15.593 1.00 0.00 H new ATOM 0 HG2 GLU A 39 19.301 14.352 13.948 1.00 0.00 H new ATOM 0 HG3 GLU A 39 18.922 15.919 13.261 1.00 0.00 H new ATOM 601 N VAL A 40 19.280 17.512 17.806 1.00 0.00 N ATOM 602 CA VAL A 40 18.625 18.109 18.964 1.00 0.00 C ATOM 603 C VAL A 40 19.095 19.543 19.183 1.00 0.00 C ATOM 604 O VAL A 40 20.294 19.809 19.252 1.00 0.00 O ATOM 605 CB VAL A 40 18.892 17.292 20.243 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.387 17.137 20.475 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.223 17.947 21.442 1.00 0.00 C ATOM 0 H VAL A 40 19.717 16.608 17.988 1.00 0.00 H new ATOM 0 HA VAL A 40 17.555 18.108 18.758 1.00 0.00 H new ATOM 0 HB VAL A 40 18.464 16.298 20.115 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.556 16.557 21.383 1.00 0.00 H new ATOM 0 HG12 VAL A 40 20.835 16.621 19.626 1.00 0.00 H new ATOM 0 HG13 VAL A 40 20.842 18.121 20.583 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.422 17.357 22.337 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.620 18.953 21.575 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.147 18.001 21.274 1.00 0.00 H new ATOM 617 N GLN A 41 18.141 20.462 19.291 1.00 0.00 N ATOM 618 CA GLN A 41 18.458 21.870 19.502 1.00 0.00 C ATOM 619 C GLN A 41 17.969 22.339 20.868 1.00 0.00 C ATOM 620 O GLN A 41 17.539 21.534 21.694 1.00 0.00 O ATOM 621 CB GLN A 41 17.831 22.726 18.400 1.00 0.00 C ATOM 622 CG GLN A 41 18.022 22.157 17.004 1.00 0.00 C ATOM 623 CD GLN A 41 19.476 22.143 16.574 1.00 0.00 C ATOM 624 OE1 GLN A 41 20.363 22.538 17.331 1.00 0.00 O ATOM 625 NE2 GLN A 41 19.728 21.686 15.353 1.00 0.00 N ATOM 0 H GLN A 41 17.143 20.257 19.236 1.00 0.00 H new ATOM 0 HA GLN A 41 19.542 21.982 19.467 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.764 22.832 18.597 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.263 23.726 18.438 1.00 0.00 H new ATOM 0 HG2 GLN A 41 17.628 21.141 16.973 1.00 0.00 H new ATOM 0 HG3 GLN A 41 17.442 22.746 16.293 1.00 0.00 H new ATOM 0 HE21 GLN A 41 18.962 21.369 14.759 1.00 0.00 H new ATOM 0 HE22 GLN A 41 20.688 21.652 15.009 1.00 0.00 H new ATOM 634 N ASP A 42 18.038 23.645 21.099 1.00 0.00 N ATOM 635 CA ASP A 42 17.602 24.223 22.365 1.00 0.00 C ATOM 636 C ASP A 42 18.415 23.661 23.527 1.00 0.00 C ATOM 637 O ASP A 42 17.952 23.635 24.666 1.00 0.00 O ATOM 638 CB ASP A 42 16.114 23.950 22.588 1.00 0.00 C ATOM 639 CG ASP A 42 15.265 24.366 21.403 1.00 0.00 C ATOM 640 OD1 ASP A 42 14.821 25.533 21.371 1.00 0.00 O ATOM 641 OD2 ASP A 42 15.044 23.525 20.507 1.00 0.00 O ATOM 0 H ASP A 42 18.392 24.324 20.426 1.00 0.00 H new ATOM 0 HA ASP A 42 17.763 25.300 22.320 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.968 22.887 22.781 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.779 24.484 23.477 1.00 0.00 H new ATOM 646 N GLY A 43 19.630 23.210 23.230 1.00 0.00 N ATOM 647 CA GLY A 43 20.487 22.654 24.260 1.00 0.00 C ATOM 648 C GLY A 43 19.798 21.570 25.065 1.00 0.00 C ATOM 649 O GLY A 43 19.906 21.534 26.291 1.00 0.00 O ATOM 0 H GLY A 43 20.036 23.220 22.294 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.385 22.244 23.799 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.808 23.451 24.930 1.00 0.00 H new ATOM 653 N ILE A 44 19.086 20.685 24.375 1.00 0.00 N ATOM 654 CA ILE A 44 18.376 19.596 25.033 1.00 0.00 C ATOM 655 C ILE A 44 19.127 18.277 24.879 1.00 0.00 C ATOM 656 O ILE A 44 19.799 18.049 23.874 1.00 0.00 O ATOM 657 CB ILE A 44 16.952 19.431 24.472 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.217 20.773 24.483 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.182 18.393 25.275 1.00 0.00 C ATOM 660 CD1 ILE A 44 15.992 21.327 25.872 1.00 0.00 C ATOM 0 H ILE A 44 18.986 20.701 23.360 1.00 0.00 H new ATOM 0 HA ILE A 44 18.313 19.855 26.090 1.00 0.00 H new ATOM 0 HB ILE A 44 17.022 19.085 23.441 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.788 21.496 23.900 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.253 20.654 23.987 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.177 18.288 24.866 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.698 17.434 25.220 1.00 0.00 H new ATOM 0 HG23 ILE A 44 16.118 18.712 26.315 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.466 22.279 25.803 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.394 20.624 26.452 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.953 21.478 26.364 1.00 0.00 H new ATOM 672 N GLU A 45 19.007 17.413 25.882 1.00 0.00 N ATOM 673 CA GLU A 45 19.674 16.117 25.857 1.00 0.00 C ATOM 674 C GLU A 45 18.658 14.981 25.942 1.00 0.00 C ATOM 675 O GLU A 45 17.795 14.969 26.820 1.00 0.00 O ATOM 676 CB GLU A 45 20.673 16.010 27.011 1.00 0.00 C ATOM 677 CG GLU A 45 22.014 16.660 26.717 1.00 0.00 C ATOM 678 CD GLU A 45 22.886 15.814 25.810 1.00 0.00 C ATOM 679 OE1 GLU A 45 22.946 14.585 26.021 1.00 0.00 O ATOM 680 OE2 GLU A 45 23.509 16.382 24.888 1.00 0.00 O ATOM 0 H GLU A 45 18.454 17.587 26.721 1.00 0.00 H new ATOM 0 HA GLU A 45 20.211 16.031 24.912 1.00 0.00 H new ATOM 0 HB2 GLU A 45 20.241 16.473 27.898 1.00 0.00 H new ATOM 0 HB3 GLU A 45 20.833 14.958 27.246 1.00 0.00 H new ATOM 0 HG2 GLU A 45 21.848 17.632 26.252 1.00 0.00 H new ATOM 0 HG3 GLU A 45 22.539 16.841 27.655 1.00 0.00 H new ATOM 687 N LEU A 46 18.768 14.028 25.023 1.00 0.00 N ATOM 688 CA LEU A 46 17.860 12.887 24.992 1.00 0.00 C ATOM 689 C LEU A 46 18.459 11.694 25.730 1.00 0.00 C ATOM 690 O LEU A 46 19.611 11.327 25.503 1.00 0.00 O ATOM 691 CB LEU A 46 17.544 12.500 23.546 1.00 0.00 C ATOM 692 CG LEU A 46 17.371 13.659 22.564 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.229 13.137 21.142 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.167 14.507 22.945 1.00 0.00 C ATOM 0 H LEU A 46 19.477 14.023 24.290 1.00 0.00 H new ATOM 0 HA LEU A 46 16.937 13.176 25.494 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.344 11.856 23.180 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.630 11.906 23.541 1.00 0.00 H new ATOM 0 HG LEU A 46 18.261 14.286 22.612 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.107 13.976 20.457 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.122 12.574 20.870 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.357 12.487 21.079 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.060 15.327 22.235 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.268 13.891 22.927 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.309 14.911 23.947 1.00 0.00 H new ATOM 706 N GLN A 47 17.667 11.092 26.612 1.00 0.00 N ATOM 707 CA GLN A 47 18.120 9.940 27.382 1.00 0.00 C ATOM 708 C GLN A 47 17.243 8.723 27.107 1.00 0.00 C ATOM 709 O GLN A 47 16.298 8.792 26.322 1.00 0.00 O ATOM 710 CB GLN A 47 18.109 10.263 28.878 1.00 0.00 C ATOM 711 CG GLN A 47 19.003 11.434 29.253 1.00 0.00 C ATOM 712 CD GLN A 47 18.998 11.718 30.742 1.00 0.00 C ATOM 713 OE1 GLN A 47 19.973 11.441 31.442 1.00 0.00 O ATOM 714 NE2 GLN A 47 17.897 12.273 31.236 1.00 0.00 N ATOM 0 H GLN A 47 16.710 11.383 26.811 1.00 0.00 H new ATOM 0 HA GLN A 47 19.140 9.708 27.075 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.087 10.483 29.186 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.427 9.381 29.434 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.023 11.226 28.930 1.00 0.00 H new ATOM 0 HG3 GLN A 47 18.674 12.324 28.716 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.113 12.486 30.620 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.836 12.486 32.232 1.00 0.00 H new ATOM 723 N ALA A 48 17.563 7.610 27.758 1.00 0.00 N ATOM 724 CA ALA A 48 16.803 6.378 27.585 1.00 0.00 C ATOM 725 C ALA A 48 15.396 6.515 28.157 1.00 0.00 C ATOM 726 O ALA A 48 15.219 6.671 29.364 1.00 0.00 O ATOM 727 CB ALA A 48 17.530 5.213 28.240 1.00 0.00 C ATOM 0 H ALA A 48 18.344 7.536 28.410 1.00 0.00 H new ATOM 0 HA ALA A 48 16.715 6.182 26.516 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.951 4.300 28.103 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.512 5.093 27.782 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.649 5.411 29.305 1.00 0.00 H new ATOM 733 N GLY A 49 14.398 6.458 27.280 1.00 0.00 N ATOM 734 CA GLY A 49 13.019 6.578 27.718 1.00 0.00 C ATOM 735 C GLY A 49 12.487 7.990 27.573 1.00 0.00 C ATOM 736 O GLY A 49 11.456 8.334 28.152 1.00 0.00 O ATOM 0 H GLY A 49 14.519 6.331 26.275 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.396 5.897 27.138 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.944 6.270 28.761 1.00 0.00 H new ATOM 740 N ASP A 50 13.191 8.810 26.801 1.00 0.00 N ATOM 741 CA ASP A 50 12.783 10.193 26.583 1.00 0.00 C ATOM 742 C ASP A 50 12.041 10.339 25.258 1.00 0.00 C ATOM 743 O ASP A 50 12.617 10.144 24.188 1.00 0.00 O ATOM 744 CB ASP A 50 14.003 11.116 26.602 1.00 0.00 C ATOM 745 CG ASP A 50 14.379 11.550 28.005 1.00 0.00 C ATOM 746 OD1 ASP A 50 13.699 11.121 28.961 1.00 0.00 O ATOM 747 OD2 ASP A 50 15.354 12.317 28.147 1.00 0.00 O ATOM 0 H ASP A 50 14.047 8.541 26.316 1.00 0.00 H new ATOM 0 HA ASP A 50 12.108 10.478 27.390 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.849 10.604 26.144 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.797 11.998 25.995 1.00 0.00 H new ATOM 752 N GLU A 51 10.759 10.680 25.338 1.00 0.00 N ATOM 753 CA GLU A 51 9.938 10.849 24.145 1.00 0.00 C ATOM 754 C GLU A 51 10.224 12.189 23.473 1.00 0.00 C ATOM 755 O GLU A 51 10.119 13.245 24.097 1.00 0.00 O ATOM 756 CB GLU A 51 8.453 10.753 24.503 1.00 0.00 C ATOM 757 CG GLU A 51 7.590 10.208 23.377 1.00 0.00 C ATOM 758 CD GLU A 51 6.148 9.997 23.797 1.00 0.00 C ATOM 759 OE1 GLU A 51 5.715 10.642 24.775 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.453 9.187 23.148 1.00 0.00 O ATOM 0 H GLU A 51 10.267 10.845 26.216 1.00 0.00 H new ATOM 0 HA GLU A 51 10.189 10.051 23.447 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.339 10.114 25.379 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.090 11.742 24.781 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.622 10.898 22.534 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.006 9.262 23.031 1.00 0.00 H new ATOM 767 N VAL A 52 10.587 12.137 22.195 1.00 0.00 N ATOM 768 CA VAL A 52 10.888 13.346 21.437 1.00 0.00 C ATOM 769 C VAL A 52 10.220 13.315 20.067 1.00 0.00 C ATOM 770 O VAL A 52 9.870 12.250 19.560 1.00 0.00 O ATOM 771 CB VAL A 52 12.407 13.528 21.251 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.102 13.624 22.601 1.00 0.00 C ATOM 773 CG2 VAL A 52 12.983 12.388 20.425 1.00 0.00 C ATOM 0 H VAL A 52 10.680 11.271 21.663 1.00 0.00 H new ATOM 0 HA VAL A 52 10.496 14.186 22.011 1.00 0.00 H new ATOM 0 HB VAL A 52 12.581 14.460 20.713 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.174 13.752 22.450 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.709 14.478 23.153 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.922 12.711 23.169 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.056 12.533 20.304 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.800 11.441 20.934 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.506 12.372 19.445 1.00 0.00 H new ATOM 783 N GLU A 53 10.047 14.492 19.473 1.00 0.00 N ATOM 784 CA GLU A 53 9.420 14.600 18.161 1.00 0.00 C ATOM 785 C GLU A 53 10.450 14.962 17.094 1.00 0.00 C ATOM 786 O GLU A 53 11.259 15.872 17.279 1.00 0.00 O ATOM 787 CB GLU A 53 8.307 15.649 18.187 1.00 0.00 C ATOM 788 CG GLU A 53 7.232 15.422 17.138 1.00 0.00 C ATOM 789 CD GLU A 53 5.996 16.269 17.376 1.00 0.00 C ATOM 790 OE1 GLU A 53 6.148 17.482 17.628 1.00 0.00 O ATOM 791 OE2 GLU A 53 4.878 15.717 17.309 1.00 0.00 O ATOM 0 H GLU A 53 10.332 15.383 19.879 1.00 0.00 H new ATOM 0 HA GLU A 53 8.989 13.630 17.912 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.845 15.652 19.174 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.746 16.636 18.038 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.638 15.648 16.152 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.951 14.369 17.133 1.00 0.00 H new ATOM 798 N PHE A 54 10.413 14.244 15.977 1.00 0.00 N ATOM 799 CA PHE A 54 11.343 14.488 14.880 1.00 0.00 C ATOM 800 C PHE A 54 10.648 14.327 13.531 1.00 0.00 C ATOM 801 O PHE A 54 9.598 13.693 13.434 1.00 0.00 O ATOM 802 CB PHE A 54 12.533 13.530 14.970 1.00 0.00 C ATOM 803 CG PHE A 54 12.134 12.091 15.125 1.00 0.00 C ATOM 804 CD1 PHE A 54 11.650 11.372 14.043 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.242 11.456 16.352 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.282 10.047 14.182 1.00 0.00 C ATOM 807 CE2 PHE A 54 11.876 10.131 16.496 1.00 0.00 C ATOM 808 CZ PHE A 54 11.395 9.426 15.411 1.00 0.00 C ATOM 0 H PHE A 54 9.749 13.488 15.807 1.00 0.00 H new ATOM 0 HA PHE A 54 11.703 15.513 14.963 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.142 13.635 14.072 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.158 13.818 15.815 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.559 11.853 13.080 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.616 12.002 17.205 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.907 9.498 13.331 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.966 9.647 17.457 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.108 8.391 15.523 1.00 0.00 H new ATOM 818 N SER A 55 11.242 14.907 12.493 1.00 0.00 N ATOM 819 CA SER A 55 10.678 14.833 11.151 1.00 0.00 C ATOM 820 C SER A 55 11.517 13.922 10.259 1.00 0.00 C ATOM 821 O SER A 55 12.739 14.057 10.189 1.00 0.00 O ATOM 822 CB SER A 55 10.591 16.230 10.533 1.00 0.00 C ATOM 823 OG SER A 55 10.694 16.171 9.121 1.00 0.00 O ATOM 0 H SER A 55 12.114 15.433 12.556 1.00 0.00 H new ATOM 0 HA SER A 55 9.675 14.414 11.228 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.646 16.696 10.813 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.387 16.858 10.933 1.00 0.00 H new ATOM 0 HG SER A 55 10.634 17.076 8.751 1.00 0.00 H new ATOM 829 N VAL A 56 10.851 12.994 9.579 1.00 0.00 N ATOM 830 CA VAL A 56 11.533 12.061 8.691 1.00 0.00 C ATOM 831 C VAL A 56 12.097 12.777 7.469 1.00 0.00 C ATOM 832 O VAL A 56 11.350 13.325 6.658 1.00 0.00 O ATOM 833 CB VAL A 56 10.588 10.938 8.223 1.00 0.00 C ATOM 834 CG1 VAL A 56 11.334 9.939 7.352 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.952 10.245 9.418 1.00 0.00 C ATOM 0 H VAL A 56 9.840 12.869 9.626 1.00 0.00 H new ATOM 0 HA VAL A 56 12.352 11.623 9.262 1.00 0.00 H new ATOM 0 HB VAL A 56 9.793 11.383 7.624 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.650 9.154 7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.737 10.449 6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.151 9.498 7.923 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.288 9.455 9.069 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.732 9.813 10.045 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.380 10.970 9.997 1.00 0.00 H new ATOM 845 N ILE A 57 13.420 12.769 7.344 1.00 0.00 N ATOM 846 CA ILE A 57 14.085 13.417 6.220 1.00 0.00 C ATOM 847 C ILE A 57 14.816 12.398 5.352 1.00 0.00 C ATOM 848 O ILE A 57 15.614 11.602 5.848 1.00 0.00 O ATOM 849 CB ILE A 57 15.089 14.482 6.697 1.00 0.00 C ATOM 850 CG1 ILE A 57 14.401 15.478 7.634 1.00 0.00 C ATOM 851 CG2 ILE A 57 15.702 15.204 5.506 1.00 0.00 C ATOM 852 CD1 ILE A 57 13.225 16.189 7.003 1.00 0.00 C ATOM 0 H ILE A 57 14.052 12.321 8.007 1.00 0.00 H new ATOM 0 HA ILE A 57 13.307 13.902 5.630 1.00 0.00 H new ATOM 0 HB ILE A 57 15.889 13.986 7.247 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.061 14.950 8.525 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.130 16.219 7.962 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.410 15.954 5.860 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.222 14.485 4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.914 15.691 4.931 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.787 16.879 7.725 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.563 16.745 6.128 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.477 15.457 6.701 1.00 0.00 H new ATOM 864 N LEU A 58 14.540 12.429 4.053 1.00 0.00 N ATOM 865 CA LEU A 58 15.173 11.510 3.114 1.00 0.00 C ATOM 866 C LEU A 58 16.253 12.219 2.302 1.00 0.00 C ATOM 867 O LEU A 58 16.023 13.295 1.752 1.00 0.00 O ATOM 868 CB LEU A 58 14.127 10.907 2.175 1.00 0.00 C ATOM 869 CG LEU A 58 14.669 10.104 0.992 1.00 0.00 C ATOM 870 CD1 LEU A 58 15.374 8.847 1.478 1.00 0.00 C ATOM 871 CD2 LEU A 58 13.545 9.749 0.029 1.00 0.00 C ATOM 0 H LEU A 58 13.882 13.081 3.626 1.00 0.00 H new ATOM 0 HA LEU A 58 15.641 10.710 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.474 10.259 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.508 11.716 1.786 1.00 0.00 H new ATOM 0 HG LEU A 58 15.395 10.720 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.753 8.288 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.205 9.124 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.670 8.227 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.949 9.178 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.796 9.152 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.084 10.663 -0.345 1.00 0.00 H new ATOM 883 N ASN A 59 17.430 11.606 2.230 1.00 0.00 N ATOM 884 CA ASN A 59 18.545 12.177 1.483 1.00 0.00 C ATOM 885 C ASN A 59 18.905 11.301 0.287 1.00 0.00 C ATOM 886 O ASN A 59 19.305 10.149 0.448 1.00 0.00 O ATOM 887 CB ASN A 59 19.763 12.343 2.393 1.00 0.00 C ATOM 888 CG ASN A 59 19.800 13.700 3.069 1.00 0.00 C ATOM 889 OD1 ASN A 59 18.765 14.337 3.264 1.00 0.00 O ATOM 890 ND2 ASN A 59 20.997 14.150 3.429 1.00 0.00 N ATOM 0 H ASN A 59 17.636 10.714 2.680 1.00 0.00 H new ATOM 0 HA ASN A 59 18.239 13.156 1.114 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.754 11.562 3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 59 20.672 12.207 1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 59 21.084 15.057 3.887 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.829 13.588 3.248 1.00 0.00 H new ATOM 897 N GLN A 60 18.759 11.856 -0.912 1.00 0.00 N ATOM 898 CA GLN A 60 19.069 11.125 -2.135 1.00 0.00 C ATOM 899 C GLN A 60 20.576 11.025 -2.342 1.00 0.00 C ATOM 900 O GLN A 60 21.065 10.084 -2.968 1.00 0.00 O ATOM 901 CB GLN A 60 18.420 11.808 -3.340 1.00 0.00 C ATOM 902 CG GLN A 60 17.130 11.145 -3.794 1.00 0.00 C ATOM 903 CD GLN A 60 16.187 10.855 -2.642 1.00 0.00 C ATOM 904 OE1 GLN A 60 16.253 9.638 -2.115 1.00 0.00 O flip ATOM 905 NE2 GLN A 60 15.408 11.715 -2.230 1.00 0.00 N flip ATOM 0 H GLN A 60 18.428 12.809 -1.062 1.00 0.00 H new ATOM 0 HA GLN A 60 18.667 10.116 -2.038 1.00 0.00 H new ATOM 0 HB2 GLN A 60 18.215 12.849 -3.090 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.128 11.813 -4.169 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.629 11.790 -4.516 1.00 0.00 H new ATOM 0 HG3 GLN A 60 17.366 10.214 -4.309 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.391 12.638 -2.665 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.780 11.505 -1.454 1.00 0.00 H new ATOM 914 N ARG A 61 21.307 12.000 -1.813 1.00 0.00 N ATOM 915 CA ARG A 61 22.760 12.022 -1.941 1.00 0.00 C ATOM 916 C ARG A 61 23.381 10.785 -1.300 1.00 0.00 C ATOM 917 O ARG A 61 24.268 10.153 -1.874 1.00 0.00 O ATOM 918 CB ARG A 61 23.331 13.286 -1.296 1.00 0.00 C ATOM 919 CG ARG A 61 24.766 13.580 -1.699 1.00 0.00 C ATOM 920 CD ARG A 61 25.272 14.864 -1.060 1.00 0.00 C ATOM 921 NE ARG A 61 25.820 14.634 0.273 1.00 0.00 N ATOM 922 CZ ARG A 61 27.014 14.095 0.494 1.00 0.00 C ATOM 923 NH1 ARG A 61 27.781 13.734 -0.525 1.00 0.00 N ATOM 924 NH2 ARG A 61 27.444 13.917 1.737 1.00 0.00 N ATOM 0 H ARG A 61 20.918 12.785 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 61 23.006 12.022 -3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.705 14.136 -1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 61 23.280 13.185 -0.212 1.00 0.00 H new ATOM 0 HG2 ARG A 61 25.406 12.748 -1.403 1.00 0.00 H new ATOM 0 HG3 ARG A 61 24.831 13.662 -2.784 1.00 0.00 H new ATOM 0 HD2 ARG A 61 26.039 15.307 -1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 61 24.456 15.583 -0.997 1.00 0.00 H new ATOM 0 HE ARG A 61 25.255 14.902 1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 61 27.455 13.870 -1.482 1.00 0.00 H new ATOM 0 HH12 ARG A 61 28.697 13.320 -0.352 1.00 0.00 H new ATOM 0 HH21 ARG A 61 26.857 14.194 2.524 1.00 0.00 H new ATOM 0 HH22 ARG A 61 28.361 13.503 1.905 1.00 0.00 H new ATOM 938 N THR A 62 22.910 10.445 -0.104 1.00 0.00 N ATOM 939 CA THR A 62 23.420 9.285 0.616 1.00 0.00 C ATOM 940 C THR A 62 22.509 8.077 0.429 1.00 0.00 C ATOM 941 O THR A 62 22.940 7.030 -0.052 1.00 0.00 O ATOM 942 CB THR A 62 23.563 9.577 2.122 1.00 0.00 C ATOM 943 OG1 THR A 62 22.304 9.994 2.662 1.00 0.00 O ATOM 944 CG2 THR A 62 24.607 10.656 2.367 1.00 0.00 C ATOM 0 H THR A 62 22.176 10.957 0.386 1.00 0.00 H new ATOM 0 HA THR A 62 24.403 9.063 0.201 1.00 0.00 H new ATOM 0 HB THR A 62 23.886 8.662 2.618 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.403 10.176 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.690 10.845 3.437 1.00 0.00 H new ATOM 0 HG22 THR A 62 25.571 10.324 1.981 1.00 0.00 H new ATOM 0 HG23 THR A 62 24.309 11.573 1.859 1.00 0.00 H new ATOM 952 N GLY A 63 21.245 8.229 0.813 1.00 0.00 N ATOM 953 CA GLY A 63 20.293 7.143 0.678 1.00 0.00 C ATOM 954 C GLY A 63 19.854 6.587 2.018 1.00 0.00 C ATOM 955 O GLY A 63 19.354 5.464 2.100 1.00 0.00 O ATOM 0 H GLY A 63 20.864 9.085 1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 63 19.419 7.496 0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.739 6.344 0.085 1.00 0.00 H new ATOM 959 N LYS A 64 20.044 7.372 3.073 1.00 0.00 N ATOM 960 CA LYS A 64 19.665 6.952 4.417 1.00 0.00 C ATOM 961 C LYS A 64 18.734 7.973 5.064 1.00 0.00 C ATOM 962 O LYS A 64 18.795 9.164 4.757 1.00 0.00 O ATOM 963 CB LYS A 64 20.912 6.762 5.285 1.00 0.00 C ATOM 964 CG LYS A 64 21.814 7.983 5.328 1.00 0.00 C ATOM 965 CD LYS A 64 22.819 7.893 6.465 1.00 0.00 C ATOM 966 CE LYS A 64 24.013 7.031 6.086 1.00 0.00 C ATOM 967 NZ LYS A 64 24.964 6.872 7.221 1.00 0.00 N ATOM 0 H LYS A 64 20.458 8.303 3.023 1.00 0.00 H new ATOM 0 HA LYS A 64 19.136 6.002 4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.603 6.513 6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 64 21.482 5.913 4.907 1.00 0.00 H new ATOM 0 HG2 LYS A 64 22.343 8.079 4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 64 21.207 8.881 5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 64 23.161 8.894 6.730 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.334 7.477 7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 64 23.665 6.050 5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 64 24.531 7.480 5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 25.764 6.278 6.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 25.316 7.806 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 24.477 6.420 8.021 1.00 0.00 H new ATOM 981 N CYS A 65 17.876 7.499 5.960 1.00 0.00 N ATOM 982 CA CYS A 65 16.932 8.372 6.651 1.00 0.00 C ATOM 983 C CYS A 65 17.386 8.638 8.082 1.00 0.00 C ATOM 984 O CYS A 65 18.117 7.841 8.671 1.00 0.00 O ATOM 985 CB CYS A 65 15.536 7.747 6.653 1.00 0.00 C ATOM 986 SG CYS A 65 14.978 7.181 5.029 1.00 0.00 S ATOM 0 H CYS A 65 17.814 6.516 6.225 1.00 0.00 H new ATOM 0 HA CYS A 65 16.896 9.322 6.118 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.529 6.903 7.342 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.823 8.477 7.036 1.00 0.00 H new ATOM 0 HG CYS A 65 13.789 6.666 5.134 1.00 0.00 H new ATOM 992 N SER A 66 16.948 9.764 8.636 1.00 0.00 N ATOM 993 CA SER A 66 17.314 10.139 9.998 1.00 0.00 C ATOM 994 C SER A 66 16.360 11.197 10.544 1.00 0.00 C ATOM 995 O SER A 66 15.433 11.626 9.859 1.00 0.00 O ATOM 996 CB SER A 66 18.751 10.661 10.037 1.00 0.00 C ATOM 997 OG SER A 66 19.671 9.608 10.265 1.00 0.00 O ATOM 0 H SER A 66 16.340 10.433 8.163 1.00 0.00 H new ATOM 0 HA SER A 66 17.242 9.251 10.626 1.00 0.00 H new ATOM 0 HB2 SER A 66 18.987 11.156 9.095 1.00 0.00 H new ATOM 0 HB3 SER A 66 18.848 11.409 10.824 1.00 0.00 H new ATOM 0 HG SER A 66 19.368 8.802 9.798 1.00 0.00 H new ATOM 1003 N ALA A 67 16.596 11.612 11.785 1.00 0.00 N ATOM 1004 CA ALA A 67 15.760 12.621 12.424 1.00 0.00 C ATOM 1005 C ALA A 67 16.391 14.005 12.314 1.00 0.00 C ATOM 1006 O ALA A 67 17.593 14.134 12.082 1.00 0.00 O ATOM 1007 CB ALA A 67 15.522 12.261 13.883 1.00 0.00 C ATOM 0 H ALA A 67 17.359 11.265 12.367 1.00 0.00 H new ATOM 0 HA ALA A 67 14.801 12.645 11.906 1.00 0.00 H new ATOM 0 HB1 ALA A 67 14.896 13.023 14.348 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.022 11.294 13.942 1.00 0.00 H new ATOM 0 HB3 ALA A 67 16.477 12.208 14.405 1.00 0.00 H new ATOM 1013 N CYS A 68 15.572 15.038 12.482 1.00 0.00 N ATOM 1014 CA CYS A 68 16.050 16.414 12.400 1.00 0.00 C ATOM 1015 C CYS A 68 15.266 17.318 13.346 1.00 0.00 C ATOM 1016 O CYS A 68 14.069 17.125 13.556 1.00 0.00 O ATOM 1017 CB CYS A 68 15.933 16.932 10.966 1.00 0.00 C ATOM 1018 SG CYS A 68 17.188 18.154 10.519 1.00 0.00 S ATOM 0 H CYS A 68 14.575 14.949 12.676 1.00 0.00 H new ATOM 0 HA CYS A 68 17.098 16.427 12.698 1.00 0.00 H new ATOM 0 HB2 CYS A 68 16.002 16.088 10.279 1.00 0.00 H new ATOM 0 HB3 CYS A 68 14.946 17.374 10.830 1.00 0.00 H new ATOM 0 HG CYS A 68 17.008 18.531 9.288 1.00 0.00 H new ATOM 1024 N ASN A 69 15.950 18.306 13.914 1.00 0.00 N ATOM 1025 CA ASN A 69 15.319 19.239 14.840 1.00 0.00 C ATOM 1026 C ASN A 69 14.581 18.492 15.947 1.00 0.00 C ATOM 1027 O ASN A 69 13.459 18.846 16.308 1.00 0.00 O ATOM 1028 CB ASN A 69 14.347 20.153 14.091 1.00 0.00 C ATOM 1029 CG ASN A 69 14.951 20.724 12.822 1.00 0.00 C ATOM 1030 OD1 ASN A 69 15.739 21.668 12.867 1.00 0.00 O ATOM 1031 ND2 ASN A 69 14.581 20.151 11.682 1.00 0.00 N ATOM 0 H ASN A 69 16.941 18.481 13.749 1.00 0.00 H new ATOM 0 HA ASN A 69 16.102 19.846 15.295 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.446 19.593 13.841 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.044 20.970 14.745 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.953 20.492 10.796 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.925 19.370 11.693 1.00 0.00 H new ATOM 1038 N VAL A 70 15.220 17.457 16.483 1.00 0.00 N ATOM 1039 CA VAL A 70 14.627 16.661 17.550 1.00 0.00 C ATOM 1040 C VAL A 70 14.272 17.530 18.751 1.00 0.00 C ATOM 1041 O VAL A 70 15.125 18.230 19.297 1.00 0.00 O ATOM 1042 CB VAL A 70 15.575 15.537 18.006 1.00 0.00 C ATOM 1043 CG1 VAL A 70 14.940 14.720 19.120 1.00 0.00 C ATOM 1044 CG2 VAL A 70 15.950 14.647 16.830 1.00 0.00 C ATOM 0 H VAL A 70 16.149 17.150 16.195 1.00 0.00 H new ATOM 0 HA VAL A 70 13.718 16.216 17.145 1.00 0.00 H new ATOM 0 HB VAL A 70 16.486 15.991 18.395 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.626 13.931 19.428 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.727 15.368 19.970 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.012 14.275 18.761 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.621 13.858 17.170 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.049 14.201 16.409 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.450 15.244 16.067 1.00 0.00 H new ATOM 1054 N TRP A 71 13.009 17.479 19.159 1.00 0.00 N ATOM 1055 CA TRP A 71 12.541 18.261 20.298 1.00 0.00 C ATOM 1056 C TRP A 71 12.063 17.352 21.424 1.00 0.00 C ATOM 1057 O TRP A 71 11.371 16.362 21.183 1.00 0.00 O ATOM 1058 CB TRP A 71 11.412 19.200 19.868 1.00 0.00 C ATOM 1059 CG TRP A 71 10.686 19.822 21.022 1.00 0.00 C ATOM 1060 CD1 TRP A 71 9.662 19.271 21.739 1.00 0.00 C ATOM 1061 CD2 TRP A 71 10.928 21.113 21.591 1.00 0.00 C ATOM 1062 NE1 TRP A 71 9.252 20.143 22.719 1.00 0.00 N ATOM 1063 CE2 TRP A 71 10.013 21.280 22.650 1.00 0.00 C ATOM 1064 CE3 TRP A 71 11.828 22.144 21.311 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 9.975 22.436 23.425 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 11.789 23.291 22.081 1.00 0.00 C ATOM 1067 CH2 TRP A 71 10.869 23.429 23.128 1.00 0.00 C ATOM 0 H TRP A 71 12.291 16.904 18.718 1.00 0.00 H new ATOM 0 HA TRP A 71 13.377 18.855 20.668 1.00 0.00 H new ATOM 0 HB2 TRP A 71 11.825 19.989 19.240 1.00 0.00 H new ATOM 0 HB3 TRP A 71 10.700 18.645 19.257 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.237 18.294 21.562 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.502 19.971 23.389 1.00 0.00 H new ATOM 0 HE3 TRP A 71 12.542 22.046 20.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.265 22.545 24.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 12.480 24.095 21.872 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.865 24.337 23.713 1.00 0.00 H new ATOM 1078 N ARG A 72 12.434 17.693 22.653 1.00 0.00 N ATOM 1079 CA ARG A 72 12.043 16.906 23.816 1.00 0.00 C ATOM 1080 C ARG A 72 10.739 17.429 24.413 1.00 0.00 C ATOM 1081 O ARG A 72 10.629 18.606 24.754 1.00 0.00 O ATOM 1082 CB ARG A 72 13.148 16.935 24.873 1.00 0.00 C ATOM 1083 CG ARG A 72 13.079 15.779 25.858 1.00 0.00 C ATOM 1084 CD ARG A 72 13.734 16.136 27.183 1.00 0.00 C ATOM 1085 NE ARG A 72 12.831 16.883 28.056 1.00 0.00 N ATOM 1086 CZ ARG A 72 13.182 17.349 29.249 1.00 0.00 C ATOM 1087 NH1 ARG A 72 14.409 17.147 29.710 1.00 0.00 N ATOM 1088 NH2 ARG A 72 12.304 18.020 29.984 1.00 0.00 N ATOM 0 H ARG A 72 13.005 18.510 22.869 1.00 0.00 H new ATOM 0 HA ARG A 72 11.887 15.877 23.491 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.117 16.919 24.374 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.088 17.874 25.423 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.037 15.506 26.028 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.572 14.906 25.431 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.053 15.224 27.687 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.630 16.728 26.997 1.00 0.00 H new ATOM 0 HE ARG A 72 11.880 17.056 27.731 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.087 16.632 29.148 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.675 17.506 30.627 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.360 18.178 29.633 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.574 18.378 30.900 1.00 0.00 H new ATOM 1102 N VAL A 73 9.754 16.545 24.535 1.00 0.00 N ATOM 1103 CA VAL A 73 8.458 16.916 25.091 1.00 0.00 C ATOM 1104 C VAL A 73 8.299 16.390 26.513 1.00 0.00 C ATOM 1105 O VAL A 73 7.582 16.974 27.325 1.00 0.00 O ATOM 1106 CB VAL A 73 7.302 16.381 24.225 1.00 0.00 C ATOM 1107 CG1 VAL A 73 7.216 17.150 22.915 1.00 0.00 C ATOM 1108 CG2 VAL A 73 7.474 14.892 23.969 1.00 0.00 C ATOM 0 H VAL A 73 9.829 15.567 24.256 1.00 0.00 H new ATOM 0 HA VAL A 73 8.419 18.005 25.103 1.00 0.00 H new ATOM 0 HB VAL A 73 6.367 16.527 24.766 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.394 16.758 22.316 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.042 18.206 23.124 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.151 17.038 22.365 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.649 14.531 23.356 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.416 14.719 23.448 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.481 14.358 24.919 1.00 0.00 H new ATOM 1118 N SER A 74 8.973 15.283 26.808 1.00 0.00 N ATOM 1119 CA SER A 74 8.904 14.676 28.131 1.00 0.00 C ATOM 1120 C SER A 74 10.300 14.341 28.649 1.00 0.00 C ATOM 1121 O SER A 74 11.258 14.266 27.880 1.00 0.00 O ATOM 1122 CB SER A 74 8.046 13.410 28.091 1.00 0.00 C ATOM 1123 OG SER A 74 8.175 12.746 26.846 1.00 0.00 O ATOM 0 H SER A 74 9.573 14.788 26.148 1.00 0.00 H new ATOM 0 HA SER A 74 8.446 15.396 28.810 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.344 12.739 28.897 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.001 13.669 28.262 1.00 0.00 H new ATOM 0 HG SER A 74 7.896 11.812 26.943 1.00 0.00 H new