USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 423 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 LYS NZ :NH3+ -137:sc= -1.85 (180deg=-2.13) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0381) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc=-0.00732 USER MOD Single : A 12 LYS NZ :NH3+ -144:sc= 0.973 (180deg=0.13) USER MOD Single : A 14 THR OG1 : rot 170:sc= -1.55! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.334 K(o=-0.33,f=-1.2) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.908 K(o=-0.91,f=-0.049) USER MOD Single : A 45 LYS NZ :NH3+ -141:sc= -0.428 (180deg=-2.22!) USER MOD Single : A 47 THR OG1 : rot 49:sc= 0.0779 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.12) USER MOD Single : A 52 MET CE :methyl -164:sc= -0.448 (180deg=-1.14) USER MOD Single : A 54 GLN : amide:sc= -0.494 K(o=-0.49,f=-4.3!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 109 N VAL A 8 10.499 -2.955 5.737 1.00 0.00 N ATOM 110 CA VAL A 8 9.068 -2.772 6.106 1.00 0.00 C ATOM 111 C VAL A 8 8.774 -1.281 6.284 1.00 0.00 C ATOM 112 O VAL A 8 9.559 -0.548 6.850 1.00 0.00 O ATOM 113 CB VAL A 8 8.784 -3.508 7.417 1.00 0.00 C ATOM 114 CG1 VAL A 8 7.415 -3.087 7.956 1.00 0.00 C ATOM 115 CG2 VAL A 8 8.788 -5.018 7.163 1.00 0.00 C ATOM 0 HA VAL A 8 8.433 -3.175 5.317 1.00 0.00 H new ATOM 0 HB VAL A 8 9.553 -3.257 8.147 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.214 -3.612 8.890 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.410 -2.012 8.136 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.644 -3.337 7.227 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.586 -5.544 8.096 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.018 -5.266 6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.763 -5.320 6.780 1.00 0.00 H new ATOM 125 N TYR A 9 7.645 -0.824 5.807 1.00 0.00 N ATOM 126 CA TYR A 9 7.308 0.621 5.954 1.00 0.00 C ATOM 127 C TYR A 9 6.019 0.777 6.759 1.00 0.00 C ATOM 128 O TYR A 9 5.428 -0.183 7.211 1.00 0.00 O ATOM 129 CB TYR A 9 7.091 1.250 4.574 1.00 0.00 C ATOM 130 CG TYR A 9 8.416 1.606 3.950 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.353 0.605 3.679 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.702 2.940 3.632 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.578 0.937 3.092 1.00 0.00 C ATOM 134 CE2 TYR A 9 9.925 3.272 3.041 1.00 0.00 C ATOM 135 CZ TYR A 9 10.864 2.268 2.772 1.00 0.00 C ATOM 136 OH TYR A 9 12.067 2.590 2.187 1.00 0.00 O ATOM 0 H TYR A 9 6.945 -1.387 5.324 1.00 0.00 H new ATOM 0 HA TYR A 9 8.132 1.117 6.467 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.553 0.555 3.930 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.473 2.143 4.666 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.131 -0.424 3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.977 3.712 3.843 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.304 0.165 2.886 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.145 4.300 2.793 1.00 0.00 H new ATOM 0 HH TYR A 9 12.106 3.556 2.029 1.00 0.00 H new ATOM 146 N THR A 10 5.579 1.990 6.915 1.00 0.00 N ATOM 147 CA THR A 10 4.320 2.257 7.660 1.00 0.00 C ATOM 148 C THR A 10 3.616 3.420 6.965 1.00 0.00 C ATOM 149 O THR A 10 4.101 4.533 6.963 1.00 0.00 O ATOM 150 CB THR A 10 4.642 2.636 9.108 1.00 0.00 C ATOM 151 OG1 THR A 10 5.918 2.119 9.459 1.00 0.00 O ATOM 152 CG2 THR A 10 3.579 2.051 10.038 1.00 0.00 C ATOM 0 H THR A 10 6.045 2.822 6.552 1.00 0.00 H new ATOM 0 HA THR A 10 3.684 1.372 7.671 1.00 0.00 H new ATOM 0 HB THR A 10 4.650 3.721 9.207 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.126 2.362 10.385 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.809 2.321 11.069 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.601 2.449 9.768 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.569 0.965 9.941 1.00 0.00 H new ATOM 160 N GLY A 11 2.497 3.176 6.343 1.00 0.00 N ATOM 161 CA GLY A 11 1.813 4.287 5.624 1.00 0.00 C ATOM 162 C GLY A 11 0.374 4.437 6.103 1.00 0.00 C ATOM 163 O GLY A 11 -0.253 3.496 6.546 1.00 0.00 O ATOM 0 H GLY A 11 2.031 2.269 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.354 5.219 5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.826 4.094 4.551 1.00 0.00 H new ATOM 167 N LYS A 12 -0.157 5.621 5.993 1.00 0.00 N ATOM 168 CA LYS A 12 -1.562 5.857 6.412 1.00 0.00 C ATOM 169 C LYS A 12 -2.454 5.752 5.184 1.00 0.00 C ATOM 170 O LYS A 12 -1.988 5.775 4.061 1.00 0.00 O ATOM 171 CB LYS A 12 -1.698 7.261 7.006 1.00 0.00 C ATOM 172 CG LYS A 12 -0.413 7.632 7.746 1.00 0.00 C ATOM 173 CD LYS A 12 -0.704 8.766 8.731 1.00 0.00 C ATOM 174 CE LYS A 12 0.594 9.502 9.061 1.00 0.00 C ATOM 175 NZ LYS A 12 1.447 8.638 9.923 1.00 0.00 N ATOM 0 H LYS A 12 0.327 6.441 5.628 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.852 5.120 7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.895 7.984 6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.546 7.297 7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.023 6.764 8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.353 7.941 7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.428 9.458 8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.149 8.365 9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.125 9.756 8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.374 10.440 9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.953 9.228 10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.849 7.952 10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.135 8.130 9.332 1.00 0.00 H new ATOM 189 N VAL A 13 -3.733 5.652 5.376 1.00 0.00 N ATOM 190 CA VAL A 13 -4.637 5.561 4.206 1.00 0.00 C ATOM 191 C VAL A 13 -5.015 6.976 3.781 1.00 0.00 C ATOM 192 O VAL A 13 -5.796 7.642 4.430 1.00 0.00 O ATOM 193 CB VAL A 13 -5.896 4.792 4.594 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.884 4.819 3.430 1.00 0.00 C ATOM 195 CG2 VAL A 13 -5.530 3.344 4.923 1.00 0.00 C ATOM 0 H VAL A 13 -4.190 5.629 6.288 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.141 5.041 3.386 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.352 5.256 5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.785 4.270 3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.145 5.852 3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.429 4.355 2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.430 2.795 5.200 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.074 2.877 4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.824 3.327 5.754 1.00 0.00 H new ATOM 205 N THR A 14 -4.453 7.450 2.706 1.00 0.00 N ATOM 206 CA THR A 14 -4.767 8.831 2.257 1.00 0.00 C ATOM 207 C THR A 14 -5.432 8.797 0.878 1.00 0.00 C ATOM 208 O THR A 14 -5.671 9.823 0.274 1.00 0.00 O ATOM 209 CB THR A 14 -3.474 9.646 2.190 1.00 0.00 C ATOM 210 OG1 THR A 14 -2.856 9.450 0.926 1.00 0.00 O ATOM 211 CG2 THR A 14 -2.525 9.192 3.301 1.00 0.00 C ATOM 0 H THR A 14 -3.791 6.941 2.120 1.00 0.00 H new ATOM 0 HA THR A 14 -5.454 9.294 2.966 1.00 0.00 H new ATOM 0 HB THR A 14 -3.704 10.703 2.321 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.121 10.089 0.819 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.604 9.773 3.253 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.000 9.345 4.270 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.294 8.135 3.173 1.00 0.00 H new ATOM 219 N ARG A 15 -5.735 7.631 0.373 1.00 0.00 N ATOM 220 CA ARG A 15 -6.387 7.550 -0.967 1.00 0.00 C ATOM 221 C ARG A 15 -6.872 6.118 -1.227 1.00 0.00 C ATOM 222 O ARG A 15 -6.288 5.160 -0.763 1.00 0.00 O ATOM 223 CB ARG A 15 -5.378 7.949 -2.049 1.00 0.00 C ATOM 224 CG ARG A 15 -5.440 9.462 -2.275 1.00 0.00 C ATOM 225 CD ARG A 15 -4.149 10.108 -1.771 1.00 0.00 C ATOM 226 NE ARG A 15 -3.251 10.389 -2.926 1.00 0.00 N ATOM 227 CZ ARG A 15 -3.562 11.326 -3.780 1.00 0.00 C ATOM 228 NH1 ARG A 15 -4.068 12.452 -3.356 1.00 0.00 N ATOM 229 NH2 ARG A 15 -3.369 11.136 -5.056 1.00 0.00 N ATOM 0 H ARG A 15 -5.560 6.735 0.828 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.240 8.228 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.372 7.657 -1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.598 7.423 -2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.576 9.676 -3.335 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.298 9.883 -1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.376 11.032 -1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.651 9.446 -1.062 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.394 9.850 -3.049 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.220 12.599 -2.358 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.311 13.185 -4.022 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.975 10.255 -5.387 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.612 11.868 -5.723 1.00 0.00 H new ATOM 243 N ILE A 16 -7.936 5.973 -1.975 1.00 0.00 N ATOM 244 CA ILE A 16 -8.468 4.612 -2.287 1.00 0.00 C ATOM 245 C ILE A 16 -8.964 4.603 -3.735 1.00 0.00 C ATOM 246 O ILE A 16 -9.159 5.644 -4.332 1.00 0.00 O ATOM 247 CB ILE A 16 -9.626 4.278 -1.344 1.00 0.00 C ATOM 248 CG1 ILE A 16 -9.150 4.406 0.106 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.097 2.842 -1.601 1.00 0.00 C ATOM 250 CD1 ILE A 16 -10.233 3.878 1.051 1.00 0.00 C ATOM 0 H ILE A 16 -8.462 6.744 -2.386 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.683 3.868 -2.156 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.452 4.967 -1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.226 3.846 0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.929 5.448 0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.922 2.604 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.432 2.748 -2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.273 2.151 -1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.892 3.970 2.082 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.146 4.458 0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.432 2.830 0.827 1.00 0.00 H new ATOM 262 N VAL A 17 -9.163 3.451 -4.317 1.00 0.00 N ATOM 263 CA VAL A 17 -9.634 3.422 -5.732 1.00 0.00 C ATOM 264 C VAL A 17 -10.616 2.254 -5.942 1.00 0.00 C ATOM 265 O VAL A 17 -10.560 1.249 -5.264 1.00 0.00 O ATOM 266 CB VAL A 17 -8.422 3.291 -6.683 1.00 0.00 C ATOM 267 CG1 VAL A 17 -7.138 3.691 -5.967 1.00 0.00 C ATOM 268 CG2 VAL A 17 -8.257 1.856 -7.162 1.00 0.00 C ATOM 0 H VAL A 17 -9.022 2.540 -3.881 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.156 4.352 -5.955 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.607 3.948 -7.533 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.295 3.593 -6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.215 4.725 -5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.984 3.041 -5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.398 1.792 -7.829 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.100 1.202 -6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.155 1.545 -7.696 1.00 0.00 H new ATOM 278 N ASP A 18 -11.502 2.370 -6.891 1.00 0.00 N ATOM 279 CA ASP A 18 -12.463 1.258 -7.142 1.00 0.00 C ATOM 280 C ASP A 18 -11.685 -0.022 -7.460 1.00 0.00 C ATOM 281 O ASP A 18 -12.015 -1.094 -6.994 1.00 0.00 O ATOM 282 CB ASP A 18 -13.361 1.612 -8.328 1.00 0.00 C ATOM 283 CG ASP A 18 -14.820 1.316 -7.973 1.00 0.00 C ATOM 284 OD1 ASP A 18 -15.131 0.157 -7.752 1.00 0.00 O ATOM 285 OD2 ASP A 18 -15.600 2.252 -7.929 1.00 0.00 O ATOM 0 H ASP A 18 -11.603 3.181 -7.501 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.078 1.104 -6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.245 2.665 -8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.066 1.037 -9.205 1.00 0.00 H new ATOM 290 N PHE A 19 -10.658 0.081 -8.259 1.00 0.00 N ATOM 291 CA PHE A 19 -9.860 -1.127 -8.620 1.00 0.00 C ATOM 292 C PHE A 19 -8.708 -1.322 -7.626 1.00 0.00 C ATOM 293 O PHE A 19 -7.674 -1.856 -7.974 1.00 0.00 O ATOM 294 CB PHE A 19 -9.281 -0.946 -10.027 1.00 0.00 C ATOM 295 CG PHE A 19 -8.640 0.416 -10.126 1.00 0.00 C ATOM 296 CD1 PHE A 19 -7.401 0.651 -9.519 1.00 0.00 C ATOM 297 CD2 PHE A 19 -9.293 1.449 -10.810 1.00 0.00 C ATOM 298 CE1 PHE A 19 -6.815 1.921 -9.594 1.00 0.00 C ATOM 299 CE2 PHE A 19 -8.705 2.718 -10.884 1.00 0.00 C ATOM 300 CZ PHE A 19 -7.467 2.952 -10.275 1.00 0.00 C ATOM 0 H PHE A 19 -10.336 0.953 -8.679 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.509 -2.002 -8.589 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.546 -1.724 -10.234 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.069 -1.046 -10.774 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.897 -0.146 -8.993 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.248 1.267 -11.280 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.859 2.103 -9.125 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.207 3.516 -11.411 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.015 3.931 -10.332 1.00 0.00 H new ATOM 310 N GLY A 20 -8.863 -0.903 -6.396 1.00 0.00 N ATOM 311 CA GLY A 20 -7.748 -1.089 -5.419 1.00 0.00 C ATOM 312 C GLY A 20 -7.762 0.016 -4.354 1.00 0.00 C ATOM 313 O GLY A 20 -8.787 0.573 -4.027 1.00 0.00 O ATOM 0 H GLY A 20 -9.699 -0.447 -6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.839 -2.063 -4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.793 -1.081 -5.945 1.00 0.00 H new ATOM 317 N ALA A 21 -6.618 0.333 -3.804 1.00 0.00 N ATOM 318 CA ALA A 21 -6.551 1.393 -2.762 1.00 0.00 C ATOM 319 C ALA A 21 -5.163 2.024 -2.785 1.00 0.00 C ATOM 320 O ALA A 21 -4.187 1.377 -3.100 1.00 0.00 O ATOM 321 CB ALA A 21 -6.785 0.783 -1.380 1.00 0.00 C ATOM 0 H ALA A 21 -5.724 -0.101 -4.035 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.316 2.142 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.734 1.566 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.768 0.314 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.019 0.034 -1.179 1.00 0.00 H new ATOM 327 N PHE A 22 -5.066 3.276 -2.457 1.00 0.00 N ATOM 328 CA PHE A 22 -3.745 3.953 -2.448 1.00 0.00 C ATOM 329 C PHE A 22 -3.326 4.195 -0.996 1.00 0.00 C ATOM 330 O PHE A 22 -4.132 4.123 -0.089 1.00 0.00 O ATOM 331 CB PHE A 22 -3.865 5.289 -3.180 1.00 0.00 C ATOM 332 CG PHE A 22 -3.961 5.057 -4.674 1.00 0.00 C ATOM 333 CD1 PHE A 22 -4.015 3.753 -5.191 1.00 0.00 C ATOM 334 CD2 PHE A 22 -3.991 6.153 -5.544 1.00 0.00 C ATOM 335 CE1 PHE A 22 -4.093 3.548 -6.572 1.00 0.00 C ATOM 336 CE2 PHE A 22 -4.072 5.947 -6.926 1.00 0.00 C ATOM 337 CZ PHE A 22 -4.121 4.643 -7.439 1.00 0.00 C ATOM 0 H PHE A 22 -5.854 3.867 -2.192 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.999 3.334 -2.946 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.746 5.826 -2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.001 5.914 -2.956 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.996 2.906 -4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.952 7.157 -5.149 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.132 2.544 -6.968 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.097 6.793 -7.597 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.180 4.485 -8.506 1.00 0.00 H new ATOM 347 N VAL A 23 -2.075 4.479 -0.764 1.00 0.00 N ATOM 348 CA VAL A 23 -1.615 4.722 0.633 1.00 0.00 C ATOM 349 C VAL A 23 -0.450 5.715 0.614 1.00 0.00 C ATOM 350 O VAL A 23 0.125 5.988 -0.419 1.00 0.00 O ATOM 351 CB VAL A 23 -1.172 3.395 1.254 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.324 3.659 2.499 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.412 2.594 1.653 1.00 0.00 C ATOM 0 H VAL A 23 -1.352 4.553 -1.479 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.427 5.139 1.228 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.581 2.836 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.013 2.710 2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.557 4.238 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.911 4.218 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.106 1.647 2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.995 3.163 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.020 2.401 0.769 1.00 0.00 H new ATOM 363 N ALA A 24 -0.104 6.271 1.746 1.00 0.00 N ATOM 364 CA ALA A 24 1.012 7.258 1.766 1.00 0.00 C ATOM 365 C ALA A 24 1.993 6.941 2.904 1.00 0.00 C ATOM 366 O ALA A 24 1.596 6.566 3.989 1.00 0.00 O ATOM 367 CB ALA A 24 0.434 8.660 1.975 1.00 0.00 C ATOM 0 H ALA A 24 -0.542 6.086 2.648 1.00 0.00 H new ATOM 0 HA ALA A 24 1.547 7.206 0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.244 9.389 1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.251 8.896 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.104 8.694 2.923 1.00 0.00 H new ATOM 373 N ILE A 25 3.274 7.105 2.671 1.00 0.00 N ATOM 374 CA ILE A 25 4.270 6.832 3.746 1.00 0.00 C ATOM 375 C ILE A 25 4.893 8.158 4.190 1.00 0.00 C ATOM 376 O ILE A 25 4.371 8.843 5.047 1.00 0.00 O ATOM 377 CB ILE A 25 5.366 5.894 3.226 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.534 6.072 1.716 1.00 0.00 C ATOM 379 CG2 ILE A 25 4.974 4.448 3.515 1.00 0.00 C ATOM 380 CD1 ILE A 25 6.786 5.321 1.252 1.00 0.00 C ATOM 0 H ILE A 25 3.668 7.416 1.783 1.00 0.00 H new ATOM 0 HA ILE A 25 3.773 6.353 4.590 1.00 0.00 H new ATOM 0 HB ILE A 25 6.305 6.133 3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.655 5.694 1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.619 7.131 1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.752 3.779 3.146 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.857 4.311 4.590 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.032 4.220 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.908 5.446 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.661 5.720 1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.681 4.261 1.484 1.00 0.00 H new ATOM 413 N LYS A 29 6.686 10.450 -0.403 1.00 0.00 N ATOM 414 CA LYS A 29 6.569 9.052 -0.907 1.00 0.00 C ATOM 415 C LYS A 29 5.212 8.473 -0.505 1.00 0.00 C ATOM 416 O LYS A 29 4.706 8.730 0.575 1.00 0.00 O ATOM 417 CB LYS A 29 7.686 8.197 -0.307 1.00 0.00 C ATOM 418 CG LYS A 29 9.026 8.910 -0.485 1.00 0.00 C ATOM 419 CD LYS A 29 9.651 9.168 0.887 1.00 0.00 C ATOM 420 CE LYS A 29 10.748 8.135 1.149 1.00 0.00 C ATOM 421 NZ LYS A 29 11.973 8.821 1.644 1.00 0.00 N ATOM 0 HA LYS A 29 6.655 9.052 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.494 8.020 0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.713 7.222 -0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.696 8.302 -1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.882 9.852 -1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.068 10.175 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.888 9.109 1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.406 7.405 1.883 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.971 7.587 0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.717 8.117 1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.303 9.501 0.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.756 9.325 2.527 1.00 0.00 H new ATOM 435 N GLU A 30 4.611 7.692 -1.357 1.00 0.00 N ATOM 436 CA GLU A 30 3.292 7.111 -0.999 1.00 0.00 C ATOM 437 C GLU A 30 3.267 5.616 -1.315 1.00 0.00 C ATOM 438 O GLU A 30 3.906 5.149 -2.237 1.00 0.00 O ATOM 439 CB GLU A 30 2.185 7.819 -1.781 1.00 0.00 C ATOM 440 CG GLU A 30 2.527 7.815 -3.272 1.00 0.00 C ATOM 441 CD GLU A 30 2.051 6.504 -3.899 1.00 0.00 C ATOM 442 OE1 GLU A 30 0.876 6.201 -3.771 1.00 0.00 O ATOM 443 OE2 GLU A 30 2.869 5.824 -4.496 1.00 0.00 O ATOM 0 H GLU A 30 4.972 7.434 -2.275 1.00 0.00 H new ATOM 0 HA GLU A 30 3.127 7.249 0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.231 7.318 -1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.073 8.843 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.052 8.662 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.602 7.928 -3.410 1.00 0.00 H new ATOM 450 N GLY A 31 2.514 4.868 -0.557 1.00 0.00 N ATOM 451 CA GLY A 31 2.413 3.403 -0.801 1.00 0.00 C ATOM 452 C GLY A 31 1.144 3.139 -1.603 1.00 0.00 C ATOM 453 O GLY A 31 0.483 4.058 -2.042 1.00 0.00 O ATOM 0 H GLY A 31 1.960 5.212 0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.288 3.047 -1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.384 2.861 0.145 1.00 0.00 H new ATOM 457 N LEU A 32 0.785 1.903 -1.803 1.00 0.00 N ATOM 458 CA LEU A 32 -0.453 1.631 -2.578 1.00 0.00 C ATOM 459 C LEU A 32 -1.101 0.324 -2.134 1.00 0.00 C ATOM 460 O LEU A 32 -0.529 -0.740 -2.262 1.00 0.00 O ATOM 461 CB LEU A 32 -0.133 1.523 -4.062 1.00 0.00 C ATOM 462 CG LEU A 32 -1.417 1.796 -4.833 1.00 0.00 C ATOM 463 CD1 LEU A 32 -1.304 3.135 -5.540 1.00 0.00 C ATOM 464 CD2 LEU A 32 -1.660 0.695 -5.860 1.00 0.00 C ATOM 0 H LEU A 32 1.287 1.081 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.140 2.458 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.640 2.240 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.252 0.531 -4.299 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.254 1.817 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.222 3.333 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.147 3.923 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.462 3.111 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.581 0.902 -6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.825 0.659 -6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.748 -0.265 -5.351 1.00 0.00 H new ATOM 476 N VAL A 33 -2.313 0.387 -1.660 1.00 0.00 N ATOM 477 CA VAL A 33 -3.017 -0.856 -1.268 1.00 0.00 C ATOM 478 C VAL A 33 -3.877 -1.287 -2.454 1.00 0.00 C ATOM 479 O VAL A 33 -5.090 -1.342 -2.378 1.00 0.00 O ATOM 480 CB VAL A 33 -3.915 -0.599 -0.058 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.589 -1.902 0.376 1.00 0.00 C ATOM 482 CG2 VAL A 33 -3.077 -0.057 1.096 1.00 0.00 C ATOM 0 H VAL A 33 -2.844 1.248 -1.528 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.297 -1.629 -1.002 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.678 0.130 -0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.227 -1.712 1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.193 -2.290 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.827 -2.634 0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.719 0.126 1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.311 -0.785 1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.602 0.876 0.794 1.00 0.00 H new ATOM 492 N HIS A 34 -3.264 -1.568 -3.569 1.00 0.00 N ATOM 493 CA HIS A 34 -4.065 -1.976 -4.745 1.00 0.00 C ATOM 494 C HIS A 34 -5.042 -3.071 -4.306 1.00 0.00 C ATOM 495 O HIS A 34 -4.858 -3.702 -3.284 1.00 0.00 O ATOM 496 CB HIS A 34 -3.149 -2.517 -5.843 1.00 0.00 C ATOM 497 CG HIS A 34 -3.847 -2.399 -7.169 1.00 0.00 C ATOM 498 ND1 HIS A 34 -3.913 -3.454 -8.064 1.00 0.00 N ATOM 499 CD2 HIS A 34 -4.523 -1.360 -7.763 1.00 0.00 C ATOM 500 CE1 HIS A 34 -4.605 -3.032 -9.139 1.00 0.00 C ATOM 501 NE2 HIS A 34 -5.001 -1.763 -9.006 1.00 0.00 N ATOM 0 H HIS A 34 -2.255 -1.532 -3.712 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.609 -1.117 -5.138 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.213 -1.959 -5.860 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.896 -3.558 -5.643 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.510 -4.382 -7.933 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.662 -0.380 -7.331 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.814 -3.645 -10.003 1.00 0.00 H new ATOM 509 N ILE A 35 -6.076 -3.301 -5.058 1.00 0.00 N ATOM 510 CA ILE A 35 -7.061 -4.349 -4.677 1.00 0.00 C ATOM 511 C ILE A 35 -6.340 -5.678 -4.422 1.00 0.00 C ATOM 512 O ILE A 35 -6.658 -6.399 -3.499 1.00 0.00 O ATOM 513 CB ILE A 35 -8.071 -4.518 -5.814 1.00 0.00 C ATOM 514 CG1 ILE A 35 -8.912 -5.775 -5.578 1.00 0.00 C ATOM 515 CG2 ILE A 35 -7.321 -4.647 -7.140 1.00 0.00 C ATOM 516 CD1 ILE A 35 -9.872 -5.539 -4.410 1.00 0.00 C ATOM 0 H ILE A 35 -6.284 -2.807 -5.925 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.578 -4.050 -3.765 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.728 -3.649 -5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.473 -6.023 -6.479 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.263 -6.624 -5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.037 -4.768 -7.953 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.726 -3.750 -7.310 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.664 -5.516 -7.103 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.470 -6.435 -4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.301 -5.312 -3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.530 -4.702 -4.643 1.00 0.00 H new ATOM 528 N SER A 36 -5.379 -6.014 -5.240 1.00 0.00 N ATOM 529 CA SER A 36 -4.648 -7.304 -5.050 1.00 0.00 C ATOM 530 C SER A 36 -3.559 -7.164 -3.978 1.00 0.00 C ATOM 531 O SER A 36 -2.545 -7.831 -4.034 1.00 0.00 O ATOM 532 CB SER A 36 -3.998 -7.711 -6.373 1.00 0.00 C ATOM 533 OG SER A 36 -5.002 -7.834 -7.372 1.00 0.00 O ATOM 0 H SER A 36 -5.067 -5.452 -6.032 1.00 0.00 H new ATOM 0 HA SER A 36 -5.360 -8.063 -4.726 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.260 -6.967 -6.673 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.468 -8.656 -6.255 1.00 0.00 H new ATOM 0 HG SER A 36 -4.588 -8.093 -8.222 1.00 0.00 H new ATOM 539 N GLN A 37 -3.744 -6.313 -3.003 1.00 0.00 N ATOM 540 CA GLN A 37 -2.695 -6.160 -1.953 1.00 0.00 C ATOM 541 C GLN A 37 -3.338 -5.781 -0.615 1.00 0.00 C ATOM 542 O GLN A 37 -3.113 -4.705 -0.098 1.00 0.00 O ATOM 543 CB GLN A 37 -1.715 -5.056 -2.364 1.00 0.00 C ATOM 544 CG GLN A 37 -1.354 -5.207 -3.844 1.00 0.00 C ATOM 545 CD GLN A 37 -0.088 -4.401 -4.144 1.00 0.00 C ATOM 546 OE1 GLN A 37 0.659 -4.735 -5.042 1.00 0.00 O ATOM 547 NE2 GLN A 37 0.187 -3.347 -3.426 1.00 0.00 N ATOM 0 H GLN A 37 -4.568 -5.723 -2.889 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.166 -7.107 -1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.161 -4.077 -2.187 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.814 -5.111 -1.753 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.195 -6.258 -4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.177 -4.858 -4.468 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.440 -3.066 -2.672 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.029 -2.804 -3.619 1.00 0.00 H new ATOM 556 N ILE A 38 -4.126 -6.650 -0.039 1.00 0.00 N ATOM 557 CA ILE A 38 -4.755 -6.309 1.270 1.00 0.00 C ATOM 558 C ILE A 38 -4.395 -7.370 2.311 1.00 0.00 C ATOM 559 O ILE A 38 -3.328 -7.350 2.891 1.00 0.00 O ATOM 560 CB ILE A 38 -6.280 -6.222 1.130 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.658 -4.957 0.351 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.902 -6.144 2.525 1.00 0.00 C ATOM 563 CD1 ILE A 38 -6.040 -5.003 -1.045 1.00 0.00 C ATOM 0 H ILE A 38 -4.359 -7.570 -0.413 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.377 -5.339 1.593 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.646 -7.101 0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.742 -4.876 0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.308 -4.073 0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.987 -6.082 2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.635 -7.035 3.093 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.529 -5.259 3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.312 -4.101 -1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.955 -5.063 -0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.411 -5.878 -1.579 1.00 0.00 H new ATOM 575 N ALA A 39 -5.280 -8.292 2.560 1.00 0.00 N ATOM 576 CA ALA A 39 -4.999 -9.348 3.568 1.00 0.00 C ATOM 577 C ALA A 39 -4.853 -10.697 2.861 1.00 0.00 C ATOM 578 O ALA A 39 -4.308 -10.782 1.779 1.00 0.00 O ATOM 579 CB ALA A 39 -6.157 -9.407 4.569 1.00 0.00 C ATOM 0 H ALA A 39 -6.191 -8.360 2.106 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.074 -9.120 4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.957 -10.180 5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.257 -8.443 5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.082 -9.641 4.042 1.00 0.00 H new ATOM 643 N VAL A 43 -10.782 -9.557 -0.328 1.00 0.00 N ATOM 644 CA VAL A 43 -11.022 -8.092 -0.162 1.00 0.00 C ATOM 645 C VAL A 43 -11.686 -7.553 -1.429 1.00 0.00 C ATOM 646 O VAL A 43 -11.260 -6.567 -1.998 1.00 0.00 O ATOM 647 CB VAL A 43 -9.703 -7.358 0.077 1.00 0.00 C ATOM 648 CG1 VAL A 43 -9.955 -5.849 0.090 1.00 0.00 C ATOM 649 CG2 VAL A 43 -9.128 -7.781 1.426 1.00 0.00 C ATOM 0 HA VAL A 43 -11.670 -7.929 0.699 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.000 -7.605 -0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.015 -5.325 0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.373 -5.542 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.657 -5.604 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.187 -7.259 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.834 -7.530 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.952 -8.857 1.425 1.00 0.00 H new ATOM 659 N GLU A 44 -12.726 -8.199 -1.878 1.00 0.00 N ATOM 660 CA GLU A 44 -13.422 -7.735 -3.111 1.00 0.00 C ATOM 661 C GLU A 44 -13.606 -6.219 -3.050 1.00 0.00 C ATOM 662 O GLU A 44 -13.610 -5.544 -4.060 1.00 0.00 O ATOM 663 CB GLU A 44 -14.789 -8.414 -3.207 1.00 0.00 C ATOM 664 CG GLU A 44 -14.605 -9.934 -3.224 1.00 0.00 C ATOM 665 CD GLU A 44 -14.800 -10.491 -1.811 1.00 0.00 C ATOM 666 OE1 GLU A 44 -15.217 -9.734 -0.951 1.00 0.00 O ATOM 667 OE2 GLU A 44 -14.530 -11.664 -1.616 1.00 0.00 O ATOM 0 H GLU A 44 -13.125 -9.031 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.826 -7.992 -3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.412 -8.122 -2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -15.305 -8.090 -4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.322 -10.390 -3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.610 -10.186 -3.591 1.00 0.00 H new ATOM 674 N LYS A 45 -13.756 -5.676 -1.874 1.00 0.00 N ATOM 675 CA LYS A 45 -13.936 -4.205 -1.755 1.00 0.00 C ATOM 676 C LYS A 45 -12.709 -3.597 -1.076 1.00 0.00 C ATOM 677 O LYS A 45 -12.430 -3.855 0.078 1.00 0.00 O ATOM 678 CB LYS A 45 -15.182 -3.904 -0.920 1.00 0.00 C ATOM 679 CG LYS A 45 -16.431 -4.085 -1.784 1.00 0.00 C ATOM 680 CD LYS A 45 -17.457 -4.934 -1.030 1.00 0.00 C ATOM 681 CE LYS A 45 -18.841 -4.295 -1.160 1.00 0.00 C ATOM 682 NZ LYS A 45 -18.763 -2.859 -0.767 1.00 0.00 N ATOM 0 H LYS A 45 -13.762 -6.188 -0.992 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.055 -3.774 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.224 -4.569 -0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.138 -2.885 -0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.859 -3.113 -2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.168 -4.566 -2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.473 -5.947 -1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.178 -5.013 0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -19.200 -4.384 -2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -19.556 -4.819 -0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.615 -2.599 -0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.921 -2.706 -0.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.698 -2.269 -1.621 1.00 0.00 H new ATOM 696 N VAL A 46 -11.976 -2.787 -1.786 1.00 0.00 N ATOM 697 CA VAL A 46 -10.765 -2.155 -1.177 1.00 0.00 C ATOM 698 C VAL A 46 -11.224 -1.080 -0.196 1.00 0.00 C ATOM 699 O VAL A 46 -10.514 -0.708 0.716 1.00 0.00 O ATOM 700 CB VAL A 46 -9.865 -1.511 -2.245 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.486 -2.178 -2.209 1.00 0.00 C ATOM 702 CG2 VAL A 46 -10.468 -1.676 -3.645 1.00 0.00 C ATOM 0 H VAL A 46 -12.158 -2.534 -2.757 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.186 -2.928 -0.671 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.778 -0.446 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.843 -1.726 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.041 -2.040 -1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.592 -3.243 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.812 -1.212 -4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.575 -2.737 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.447 -1.197 -3.678 1.00 0.00 H new ATOM 712 N THR A 47 -12.416 -0.587 -0.376 1.00 0.00 N ATOM 713 CA THR A 47 -12.942 0.460 0.548 1.00 0.00 C ATOM 714 C THR A 47 -13.391 -0.197 1.859 1.00 0.00 C ATOM 715 O THR A 47 -13.922 0.455 2.737 1.00 0.00 O ATOM 716 CB THR A 47 -14.134 1.168 -0.102 1.00 0.00 C ATOM 717 OG1 THR A 47 -14.936 0.214 -0.784 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.632 2.219 -1.093 1.00 0.00 C ATOM 0 H THR A 47 -13.052 -0.863 -1.124 1.00 0.00 H new ATOM 0 HA THR A 47 -12.158 1.188 0.754 1.00 0.00 H new ATOM 0 HB THR A 47 -14.728 1.658 0.669 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.112 -0.547 -0.193 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.483 2.721 -1.554 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.020 2.952 -0.567 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.035 1.735 -1.866 1.00 0.00 H new ATOM 726 N ASP A 48 -13.176 -1.478 2.004 1.00 0.00 N ATOM 727 CA ASP A 48 -13.582 -2.170 3.261 1.00 0.00 C ATOM 728 C ASP A 48 -12.337 -2.424 4.105 1.00 0.00 C ATOM 729 O ASP A 48 -12.389 -2.462 5.318 1.00 0.00 O ATOM 730 CB ASP A 48 -14.248 -3.510 2.930 1.00 0.00 C ATOM 731 CG ASP A 48 -15.386 -3.278 1.934 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.448 -2.194 1.379 1.00 0.00 O ATOM 733 OD2 ASP A 48 -16.178 -4.187 1.748 1.00 0.00 O ATOM 0 H ASP A 48 -12.736 -2.075 1.304 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.289 -1.546 3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.516 -4.199 2.509 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.634 -3.972 3.839 1.00 0.00 H new ATOM 738 N TYR A 49 -11.217 -2.598 3.464 1.00 0.00 N ATOM 739 CA TYR A 49 -9.957 -2.852 4.210 1.00 0.00 C ATOM 740 C TYR A 49 -9.196 -1.539 4.379 1.00 0.00 C ATOM 741 O TYR A 49 -8.474 -1.345 5.337 1.00 0.00 O ATOM 742 CB TYR A 49 -9.102 -3.834 3.420 1.00 0.00 C ATOM 743 CG TYR A 49 -9.712 -5.208 3.523 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.906 -5.496 2.853 1.00 0.00 C ATOM 745 CD2 TYR A 49 -9.085 -6.192 4.292 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.476 -6.767 2.955 1.00 0.00 C ATOM 747 CE2 TYR A 49 -9.650 -7.466 4.392 1.00 0.00 C ATOM 748 CZ TYR A 49 -10.847 -7.755 3.725 1.00 0.00 C ATOM 749 OH TYR A 49 -11.409 -9.010 3.832 1.00 0.00 O ATOM 0 H TYR A 49 -11.120 -2.575 2.449 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.186 -3.268 5.191 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.042 -3.526 2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.084 -3.844 3.809 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.387 -4.735 2.257 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.164 -5.968 4.809 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.400 -6.988 2.441 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.164 -8.228 4.984 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.845 -9.574 4.401 1.00 0.00 H new ATOM 759 N LEU A 50 -9.347 -0.639 3.449 1.00 0.00 N ATOM 760 CA LEU A 50 -8.628 0.661 3.549 1.00 0.00 C ATOM 761 C LEU A 50 -9.598 1.755 3.981 1.00 0.00 C ATOM 762 O LEU A 50 -10.693 1.876 3.473 1.00 0.00 O ATOM 763 CB LEU A 50 -8.017 1.013 2.183 1.00 0.00 C ATOM 764 CG LEU A 50 -6.519 0.636 2.111 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.670 1.894 2.293 1.00 0.00 C ATOM 766 CD2 LEU A 50 -6.142 -0.382 3.198 1.00 0.00 C ATOM 0 H LEU A 50 -9.937 -0.747 2.624 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.833 0.580 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.562 0.492 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.133 2.081 1.997 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.332 0.185 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.614 1.630 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.904 2.608 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.886 2.342 3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.082 -0.624 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.343 0.044 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.732 -1.289 3.068 1.00 0.00 H new ATOM 778 N GLN A 51 -9.188 2.552 4.924 1.00 0.00 N ATOM 779 CA GLN A 51 -10.064 3.653 5.418 1.00 0.00 C ATOM 780 C GLN A 51 -9.226 4.925 5.569 1.00 0.00 C ATOM 781 O GLN A 51 -8.229 4.936 6.255 1.00 0.00 O ATOM 782 CB GLN A 51 -10.655 3.260 6.776 1.00 0.00 C ATOM 783 CG GLN A 51 -12.115 2.838 6.598 1.00 0.00 C ATOM 784 CD GLN A 51 -12.325 1.452 7.210 1.00 0.00 C ATOM 785 OE1 GLN A 51 -11.612 0.520 6.893 1.00 0.00 O ATOM 786 NE2 GLN A 51 -13.282 1.275 8.079 1.00 0.00 N ATOM 0 H GLN A 51 -8.277 2.490 5.379 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.874 3.830 4.711 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.080 2.443 7.211 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -10.590 4.099 7.469 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.775 3.562 7.076 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.373 2.822 5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.880 2.057 8.345 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.432 0.355 8.492 1.00 0.00 H new ATOM 795 N MET A 52 -9.613 5.990 4.923 1.00 0.00 N ATOM 796 CA MET A 52 -8.826 7.255 5.017 1.00 0.00 C ATOM 797 C MET A 52 -8.590 7.641 6.482 1.00 0.00 C ATOM 798 O MET A 52 -9.496 8.047 7.181 1.00 0.00 O ATOM 799 CB MET A 52 -9.588 8.383 4.317 1.00 0.00 C ATOM 800 CG MET A 52 -9.096 8.514 2.874 1.00 0.00 C ATOM 801 SD MET A 52 -10.470 9.022 1.812 1.00 0.00 S ATOM 802 CE MET A 52 -10.209 7.802 0.502 1.00 0.00 C ATOM 0 H MET A 52 -10.443 6.040 4.332 1.00 0.00 H new ATOM 0 HA MET A 52 -7.861 7.099 4.535 1.00 0.00 H new ATOM 0 HB2 MET A 52 -10.658 8.176 4.330 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.439 9.322 4.850 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.290 9.245 2.818 1.00 0.00 H new ATOM 0 HG3 MET A 52 -8.688 7.563 2.530 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.760 8.102 -0.390 1.00 0.00 H new ATOM 0 HE2 MET A 52 -9.146 7.741 0.269 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.564 6.827 0.837 1.00 0.00 H new ATOM 812 N GLY A 53 -7.369 7.538 6.943 1.00 0.00 N ATOM 813 CA GLY A 53 -7.071 7.924 8.357 1.00 0.00 C ATOM 814 C GLY A 53 -6.452 6.746 9.119 1.00 0.00 C ATOM 815 O GLY A 53 -5.978 6.897 10.228 1.00 0.00 O ATOM 0 H GLY A 53 -6.569 7.205 6.405 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.388 8.773 8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.987 8.244 8.853 1.00 0.00 H new ATOM 819 N GLN A 54 -6.456 5.578 8.541 1.00 0.00 N ATOM 820 CA GLN A 54 -5.874 4.398 9.244 1.00 0.00 C ATOM 821 C GLN A 54 -4.350 4.392 9.093 1.00 0.00 C ATOM 822 O GLN A 54 -3.778 5.212 8.404 1.00 0.00 O ATOM 823 CB GLN A 54 -6.447 3.114 8.641 1.00 0.00 C ATOM 824 CG GLN A 54 -7.819 2.833 9.254 1.00 0.00 C ATOM 825 CD GLN A 54 -8.085 1.327 9.244 1.00 0.00 C ATOM 826 OE1 GLN A 54 -9.021 0.867 8.621 1.00 0.00 O ATOM 827 NE2 GLN A 54 -7.295 0.532 9.914 1.00 0.00 N ATOM 0 H GLN A 54 -6.836 5.388 7.614 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.127 4.455 10.303 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.534 3.214 7.559 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.774 2.278 8.831 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.857 3.213 10.275 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.594 3.353 8.691 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.509 0.917 10.438 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.464 -0.474 9.914 1.00 0.00 H new ATOM 836 N GLU A 55 -3.694 3.461 9.733 1.00 0.00 N ATOM 837 CA GLU A 55 -2.210 3.377 9.633 1.00 0.00 C ATOM 838 C GLU A 55 -1.803 1.903 9.607 1.00 0.00 C ATOM 839 O GLU A 55 -2.051 1.168 10.542 1.00 0.00 O ATOM 840 CB GLU A 55 -1.575 4.061 10.846 1.00 0.00 C ATOM 841 CG GLU A 55 -0.838 5.323 10.394 1.00 0.00 C ATOM 842 CD GLU A 55 -0.272 6.049 11.616 1.00 0.00 C ATOM 843 OE1 GLU A 55 -0.983 6.151 12.602 1.00 0.00 O ATOM 844 OE2 GLU A 55 0.864 6.490 11.545 1.00 0.00 O ATOM 0 H GLU A 55 -4.126 2.751 10.324 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.870 3.874 8.724 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.343 4.318 11.575 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.882 3.380 11.339 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.032 5.061 9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.518 5.979 9.851 1.00 0.00 H new ATOM 851 N VAL A 56 -1.193 1.455 8.543 1.00 0.00 N ATOM 852 CA VAL A 56 -0.797 0.020 8.474 1.00 0.00 C ATOM 853 C VAL A 56 0.628 -0.122 7.921 1.00 0.00 C ATOM 854 O VAL A 56 1.039 0.635 7.059 1.00 0.00 O ATOM 855 CB VAL A 56 -1.763 -0.722 7.553 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.181 -0.629 8.121 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.728 -0.083 6.163 1.00 0.00 C ATOM 0 H VAL A 56 -0.954 2.015 7.725 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.830 -0.401 9.479 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.469 -1.769 7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.871 -1.158 7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.206 -1.080 9.113 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.477 0.418 8.191 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.417 -0.610 5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.025 0.963 6.236 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.718 -0.146 5.759 1.00 0.00 H new ATOM 867 N PRO A 57 1.332 -1.108 8.429 1.00 0.00 N ATOM 868 CA PRO A 57 2.707 -1.411 8.001 1.00 0.00 C ATOM 869 C PRO A 57 2.670 -2.265 6.729 1.00 0.00 C ATOM 870 O PRO A 57 1.702 -2.952 6.464 1.00 0.00 O ATOM 871 CB PRO A 57 3.272 -2.224 9.169 1.00 0.00 C ATOM 872 CG PRO A 57 2.054 -2.828 9.909 1.00 0.00 C ATOM 873 CD PRO A 57 0.824 -2.003 9.489 1.00 0.00 C ATOM 0 HA PRO A 57 3.300 -0.524 7.776 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.937 -3.009 8.810 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.857 -1.591 9.836 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.924 -3.878 9.646 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.198 -2.785 10.989 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.023 -2.643 9.120 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.419 -1.437 10.328 1.00 0.00 H new ATOM 881 N VAL A 58 3.706 -2.237 5.938 1.00 0.00 N ATOM 882 CA VAL A 58 3.699 -3.059 4.695 1.00 0.00 C ATOM 883 C VAL A 58 5.128 -3.473 4.326 1.00 0.00 C ATOM 884 O VAL A 58 6.068 -3.227 5.056 1.00 0.00 O ATOM 885 CB VAL A 58 3.068 -2.251 3.552 1.00 0.00 C ATOM 886 CG1 VAL A 58 1.943 -1.377 4.111 1.00 0.00 C ATOM 887 CG2 VAL A 58 4.120 -1.355 2.888 1.00 0.00 C ATOM 0 H VAL A 58 4.550 -1.686 6.096 1.00 0.00 H new ATOM 0 HA VAL A 58 3.111 -3.961 4.864 1.00 0.00 H new ATOM 0 HB VAL A 58 2.670 -2.942 2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.493 -0.802 3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.185 -2.010 4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.349 -0.695 4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.658 -0.789 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.529 -0.666 3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.922 -1.973 2.485 1.00 0.00 H new ATOM 897 N LYS A 59 5.293 -4.092 3.190 1.00 0.00 N ATOM 898 CA LYS A 59 6.651 -4.520 2.755 1.00 0.00 C ATOM 899 C LYS A 59 6.948 -3.898 1.388 1.00 0.00 C ATOM 900 O LYS A 59 6.155 -3.986 0.470 1.00 0.00 O ATOM 901 CB LYS A 59 6.702 -6.047 2.653 1.00 0.00 C ATOM 902 CG LYS A 59 7.437 -6.611 3.872 1.00 0.00 C ATOM 903 CD LYS A 59 6.781 -7.923 4.309 1.00 0.00 C ATOM 904 CE LYS A 59 6.493 -7.872 5.811 1.00 0.00 C ATOM 905 NZ LYS A 59 5.076 -7.469 6.037 1.00 0.00 N ATOM 0 H LYS A 59 4.540 -4.321 2.541 1.00 0.00 H new ATOM 0 HA LYS A 59 7.395 -4.190 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.692 -6.454 2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.212 -6.345 1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.486 -6.781 3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.411 -5.891 4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.856 -8.082 3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.437 -8.764 4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.680 -8.847 6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.165 -7.164 6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.031 -6.777 6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.694 -7.042 5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.513 -8.306 6.288 1.00 0.00 H new ATOM 919 N VAL A 60 8.077 -3.258 1.249 1.00 0.00 N ATOM 920 CA VAL A 60 8.417 -2.619 -0.053 1.00 0.00 C ATOM 921 C VAL A 60 8.449 -3.671 -1.161 1.00 0.00 C ATOM 922 O VAL A 60 9.465 -4.285 -1.422 1.00 0.00 O ATOM 923 CB VAL A 60 9.787 -1.948 0.051 1.00 0.00 C ATOM 924 CG1 VAL A 60 10.169 -1.352 -1.305 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.723 -0.833 1.095 1.00 0.00 C ATOM 0 H VAL A 60 8.779 -3.150 1.981 1.00 0.00 H new ATOM 0 HA VAL A 60 7.659 -1.873 -0.292 1.00 0.00 H new ATOM 0 HB VAL A 60 10.533 -2.686 0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.146 -0.874 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.209 -2.144 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.425 -0.612 -1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.698 -0.351 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.977 -0.097 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.448 -1.255 2.062 1.00 0.00 H new ATOM 1112 N LEU A 71 4.077 -0.819 -2.569 1.00 0.00 N ATOM 1113 CA LEU A 71 4.056 -1.290 -1.158 1.00 0.00 C ATOM 1114 C LEU A 71 3.012 -2.397 -1.017 1.00 0.00 C ATOM 1115 O LEU A 71 1.950 -2.338 -1.604 1.00 0.00 O ATOM 1116 CB LEU A 71 3.699 -0.126 -0.225 1.00 0.00 C ATOM 1117 CG LEU A 71 4.847 0.890 -0.182 1.00 0.00 C ATOM 1118 CD1 LEU A 71 4.686 1.784 1.048 1.00 0.00 C ATOM 1119 CD2 LEU A 71 6.191 0.160 -0.099 1.00 0.00 C ATOM 0 HA LEU A 71 5.040 -1.673 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.787 0.360 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.499 -0.503 0.778 1.00 0.00 H new ATOM 0 HG LEU A 71 4.821 1.495 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.501 2.507 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.734 2.312 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.708 1.171 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.000 0.890 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.219 -0.450 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.312 -0.480 -0.973 1.00 0.00 H new ATOM 1131 N SER A 72 3.307 -3.409 -0.252 1.00 0.00 N ATOM 1132 CA SER A 72 2.333 -4.522 -0.084 1.00 0.00 C ATOM 1133 C SER A 72 1.868 -4.588 1.373 1.00 0.00 C ATOM 1134 O SER A 72 2.618 -4.957 2.254 1.00 0.00 O ATOM 1135 CB SER A 72 3.010 -5.837 -0.461 1.00 0.00 C ATOM 1136 OG SER A 72 2.626 -6.203 -1.780 1.00 0.00 O ATOM 0 H SER A 72 4.180 -3.514 0.264 1.00 0.00 H new ATOM 0 HA SER A 72 1.470 -4.351 -0.727 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.093 -5.732 -0.402 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.727 -6.620 0.243 1.00 0.00 H new ATOM 0 HG SER A 72 3.061 -7.046 -2.025 1.00 0.00 H new ATOM 1142 N ILE A 73 0.635 -4.234 1.632 1.00 0.00 N ATOM 1143 CA ILE A 73 0.121 -4.278 3.032 1.00 0.00 C ATOM 1144 C ILE A 73 0.609 -5.570 3.701 1.00 0.00 C ATOM 1145 O ILE A 73 0.418 -6.655 3.189 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.424 -4.200 3.001 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.867 -2.852 3.575 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.066 -5.326 3.825 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.386 -2.849 3.760 1.00 0.00 C ATOM 0 H ILE A 73 -0.037 -3.917 0.934 1.00 0.00 H new ATOM 0 HA ILE A 73 0.494 -3.433 3.611 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.748 -4.308 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.374 -2.672 4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.570 -2.045 2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.151 -5.237 3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.763 -6.291 3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.740 -5.249 4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.701 -1.889 4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.870 -3.010 2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.671 -3.646 4.446 1.00 0.00 H new ATOM 1161 N LYS A 74 1.244 -5.461 4.839 1.00 0.00 N ATOM 1162 CA LYS A 74 1.745 -6.682 5.526 1.00 0.00 C ATOM 1163 C LYS A 74 0.564 -7.585 5.886 1.00 0.00 C ATOM 1164 O LYS A 74 -0.497 -7.498 5.299 1.00 0.00 O ATOM 1165 CB LYS A 74 2.508 -6.284 6.795 1.00 0.00 C ATOM 1166 CG LYS A 74 1.540 -5.717 7.836 1.00 0.00 C ATOM 1167 CD LYS A 74 1.943 -6.214 9.226 1.00 0.00 C ATOM 1168 CE LYS A 74 3.421 -5.906 9.472 1.00 0.00 C ATOM 1169 NZ LYS A 74 4.159 -7.176 9.726 1.00 0.00 N ATOM 0 H LYS A 74 1.435 -4.581 5.319 1.00 0.00 H new ATOM 0 HA LYS A 74 2.420 -7.223 4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.026 -7.151 7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.269 -5.542 6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.556 -4.627 7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.520 -6.027 7.608 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.329 -5.733 9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.766 -7.287 9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.845 -5.393 8.609 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.526 -5.235 10.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.178 -7.018 9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.983 -7.490 10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.831 -7.907 9.063 1.00 0.00 H new