USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 453 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 51 THR OG1 : rot -149:sc= -1.87! USER MOD Set 1.2: A 69 MET CE :methyl 173:sc= -2.5 (180deg=-2.75!) USER MOD Set 2.1: A 22 MET CE :methyl -147:sc= -0.864 (180deg=-4.39!) USER MOD Set 2.2: A 48 SER OG : rot 180:sc= -0.986 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0058 K(o=-0.0058,f=-1.7!) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.696 F(o=-1.7!,f=-0.7) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.6!) USER MOD Single : A 23 THR OG1 : rot 52:sc= 0.0934 USER MOD Single : A 25 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-6.5!) USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= 0.0572! (180deg=-1.75!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0093 USER MOD Single : A 44 CYS SG : rot -13:sc= -4.3! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc=-0.000488 (180deg=-0.0516) USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= -0.527! (180deg=-1.21!) USER MOD Single : A 74 GLN : amide:sc=-0.000918 X(o=-0.00092,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 142:sc= -3.21! (180deg=-4.91!) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -15.674 17.864 3.320 1.00 0.00 N ATOM 122 CA PRO A 9 -14.994 17.314 4.512 1.00 0.00 C ATOM 123 C PRO A 9 -15.878 17.415 5.774 1.00 0.00 C ATOM 124 O PRO A 9 -15.633 18.230 6.658 1.00 0.00 O ATOM 125 CB PRO A 9 -13.730 18.177 4.632 1.00 0.00 C ATOM 126 CG PRO A 9 -14.021 19.492 3.871 1.00 0.00 C ATOM 127 CD PRO A 9 -15.158 19.184 2.881 1.00 0.00 C ATOM 0 HA PRO A 9 -14.772 16.251 4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.495 18.378 5.677 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.868 17.664 4.205 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.312 20.283 4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.132 19.840 3.344 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.935 19.947 2.917 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.794 19.148 1.854 1.00 0.00 H new ATOM 135 N ILE A 10 -16.892 16.589 5.881 1.00 0.00 N ATOM 136 CA ILE A 10 -17.770 16.629 7.097 1.00 0.00 C ATOM 137 C ILE A 10 -18.118 15.199 7.546 1.00 0.00 C ATOM 138 O ILE A 10 -17.501 14.671 8.470 1.00 0.00 O ATOM 139 CB ILE A 10 -19.051 17.417 6.793 1.00 0.00 C ATOM 140 CG1 ILE A 10 -18.702 18.905 6.667 1.00 0.00 C ATOM 141 CG2 ILE A 10 -20.054 17.223 7.939 1.00 0.00 C ATOM 142 CD1 ILE A 10 -19.961 19.752 6.852 1.00 0.00 C ATOM 0 H ILE A 10 -17.150 15.891 5.183 1.00 0.00 H new ATOM 0 HA ILE A 10 -17.234 17.127 7.905 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.492 17.061 5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -17.957 19.177 7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -18.261 19.103 5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -20.965 17.782 7.724 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -20.293 16.164 8.038 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -19.617 17.585 8.870 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -19.706 20.808 6.761 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -20.692 19.488 6.088 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -20.384 19.564 7.839 1.00 0.00 H new ATOM 154 N SER A 11 -19.085 14.558 6.921 1.00 0.00 N ATOM 155 CA SER A 11 -19.453 13.160 7.340 1.00 0.00 C ATOM 156 C SER A 11 -18.195 12.295 7.382 1.00 0.00 C ATOM 157 O SER A 11 -17.838 11.762 8.427 1.00 0.00 O ATOM 158 CB SER A 11 -20.460 12.551 6.360 1.00 0.00 C ATOM 159 OG SER A 11 -21.462 11.861 7.102 1.00 0.00 O ATOM 0 H SER A 11 -19.630 14.938 6.147 1.00 0.00 H new ATOM 0 HA SER A 11 -19.909 13.199 8.329 1.00 0.00 H new ATOM 0 HB2 SER A 11 -20.913 13.332 5.750 1.00 0.00 H new ATOM 0 HB3 SER A 11 -19.956 11.866 5.678 1.00 0.00 H new ATOM 0 HG SER A 11 -22.114 11.468 6.485 1.00 0.00 H new ATOM 165 N GLN A 12 -17.502 12.168 6.277 1.00 0.00 N ATOM 166 CA GLN A 12 -16.244 11.351 6.258 1.00 0.00 C ATOM 167 C GLN A 12 -15.362 11.712 7.466 1.00 0.00 C ATOM 168 O GLN A 12 -14.796 10.842 8.123 1.00 0.00 O ATOM 169 CB GLN A 12 -15.475 11.642 4.969 1.00 0.00 C ATOM 170 CG GLN A 12 -16.187 10.987 3.779 1.00 0.00 C ATOM 171 CD GLN A 12 -15.248 10.954 2.572 1.00 0.00 C ATOM 172 OE1 GLN A 12 -14.130 11.454 2.630 1.00 0.00 O ATOM 173 NE2 GLN A 12 -15.638 10.395 1.474 1.00 0.00 N ATOM 0 H GLN A 12 -17.752 12.595 5.385 1.00 0.00 H new ATOM 0 HA GLN A 12 -16.503 10.293 6.307 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.402 12.718 4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.456 11.262 5.049 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.496 9.975 4.040 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.092 11.543 3.533 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.566 9.976 1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -15.017 10.372 0.665 1.00 0.00 H new ATOM 182 N VAL A 13 -15.244 12.980 7.776 1.00 0.00 N ATOM 183 CA VAL A 13 -14.410 13.397 8.948 1.00 0.00 C ATOM 184 C VAL A 13 -15.029 12.826 10.231 1.00 0.00 C ATOM 185 O VAL A 13 -14.335 12.245 11.067 1.00 0.00 O ATOM 186 CB VAL A 13 -14.361 14.932 9.034 1.00 0.00 C ATOM 187 CG1 VAL A 13 -13.540 15.353 10.252 1.00 0.00 C ATOM 188 CG2 VAL A 13 -13.704 15.505 7.776 1.00 0.00 C ATOM 0 H VAL A 13 -15.689 13.745 7.269 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.395 13.017 8.828 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.379 15.311 9.122 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.507 16.441 10.310 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.000 14.955 11.156 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.526 14.964 10.160 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.673 16.592 7.845 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.689 15.118 7.687 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.281 15.213 6.899 1.00 0.00 H new ATOM 198 N HIS A 14 -16.321 12.958 10.392 1.00 0.00 N ATOM 199 CA HIS A 14 -16.990 12.402 11.603 1.00 0.00 C ATOM 200 C HIS A 14 -16.782 10.880 11.626 1.00 0.00 C ATOM 201 O HIS A 14 -16.419 10.302 12.650 1.00 0.00 O ATOM 202 CB HIS A 14 -18.486 12.728 11.545 1.00 0.00 C ATOM 203 CG HIS A 14 -18.715 14.139 12.015 1.00 0.00 C ATOM 204 ND1 HIS A 14 -18.221 15.341 11.576 1.00 0.00 N flip ATOM 205 CD2 HIS A 14 -19.555 14.441 13.075 1.00 0.00 C flip ATOM 206 CE1 HIS A 14 -18.741 16.374 12.348 1.00 0.00 C flip ATOM 207 NE2 HIS A 14 -19.539 15.779 13.236 1.00 0.00 N flip ATOM 0 H HIS A 14 -16.942 13.429 9.734 1.00 0.00 H new ATOM 0 HA HIS A 14 -16.566 12.840 12.506 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -18.855 12.609 10.526 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -19.045 12.031 12.170 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -20.119 13.733 13.664 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -18.542 17.431 12.250 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -20.072 16.276 13.950 1.00 0.00 H new ATOM 215 N GLU A 15 -16.987 10.231 10.505 1.00 0.00 N ATOM 216 CA GLU A 15 -16.793 8.748 10.424 1.00 0.00 C ATOM 217 C GLU A 15 -15.341 8.396 10.772 1.00 0.00 C ATOM 218 O GLU A 15 -15.077 7.547 11.623 1.00 0.00 O ATOM 219 CB GLU A 15 -17.101 8.270 8.999 1.00 0.00 C ATOM 220 CG GLU A 15 -18.526 8.682 8.606 1.00 0.00 C ATOM 221 CD GLU A 15 -18.794 8.318 7.146 1.00 0.00 C ATOM 222 OE1 GLU A 15 -18.183 8.918 6.279 1.00 0.00 O ATOM 223 OE2 GLU A 15 -19.607 7.442 6.920 1.00 0.00 O ATOM 0 H GLU A 15 -17.284 10.670 9.633 1.00 0.00 H new ATOM 0 HA GLU A 15 -17.464 8.259 11.130 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -16.383 8.698 8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.997 7.187 8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -19.248 8.183 9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -18.656 9.754 8.751 1.00 0.00 H new ATOM 230 N ILE A 16 -14.390 9.041 10.143 1.00 0.00 N ATOM 231 CA ILE A 16 -12.955 8.753 10.451 1.00 0.00 C ATOM 232 C ILE A 16 -12.693 9.042 11.936 1.00 0.00 C ATOM 233 O ILE A 16 -11.932 8.336 12.601 1.00 0.00 O ATOM 234 CB ILE A 16 -12.058 9.643 9.581 1.00 0.00 C ATOM 235 CG1 ILE A 16 -12.190 9.226 8.115 1.00 0.00 C ATOM 236 CG2 ILE A 16 -10.597 9.496 10.013 1.00 0.00 C ATOM 237 CD1 ILE A 16 -11.563 10.299 7.223 1.00 0.00 C ATOM 0 H ILE A 16 -14.545 9.754 9.430 1.00 0.00 H new ATOM 0 HA ILE A 16 -12.733 7.707 10.240 1.00 0.00 H new ATOM 0 HB ILE A 16 -12.368 10.681 9.700 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.696 8.268 7.952 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -13.240 9.091 7.857 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.968 10.131 9.390 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.494 9.795 11.056 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.287 8.457 9.901 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -11.656 10.003 6.178 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -12.077 11.248 7.379 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.509 10.412 7.476 1.00 0.00 H new ATOM 249 N GLY A 17 -13.322 10.061 12.467 1.00 0.00 N ATOM 250 CA GLY A 17 -13.134 10.411 13.907 1.00 0.00 C ATOM 251 C GLY A 17 -13.537 9.233 14.809 1.00 0.00 C ATOM 252 O GLY A 17 -12.845 8.920 15.776 1.00 0.00 O ATOM 0 H GLY A 17 -13.963 10.670 11.959 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -12.092 10.675 14.089 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.733 11.287 14.155 1.00 0.00 H new ATOM 256 N ILE A 18 -14.627 8.561 14.513 1.00 0.00 N ATOM 257 CA ILE A 18 -15.050 7.407 15.348 1.00 0.00 C ATOM 258 C ILE A 18 -14.331 6.139 14.857 1.00 0.00 C ATOM 259 O ILE A 18 -13.926 5.292 15.651 1.00 0.00 O ATOM 260 CB ILE A 18 -16.584 7.233 15.253 1.00 0.00 C ATOM 261 CG1 ILE A 18 -16.945 5.784 15.485 1.00 0.00 C ATOM 262 CG2 ILE A 18 -17.096 7.607 13.861 1.00 0.00 C ATOM 263 CD1 ILE A 18 -16.788 5.434 16.966 1.00 0.00 C ATOM 0 H ILE A 18 -15.239 8.769 13.724 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.785 7.584 16.390 1.00 0.00 H new ATOM 0 HB ILE A 18 -17.035 7.882 16.003 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -17.971 5.601 15.167 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -16.305 5.140 14.881 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -18.177 7.475 13.823 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.850 8.648 13.650 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -16.626 6.965 13.116 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -17.051 4.388 17.122 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -15.755 5.598 17.271 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -17.447 6.066 17.561 1.00 0.00 H new ATOM 275 N LYS A 19 -14.162 5.996 13.564 1.00 0.00 N ATOM 276 CA LYS A 19 -13.469 4.786 13.018 1.00 0.00 C ATOM 277 C LYS A 19 -12.068 4.637 13.638 1.00 0.00 C ATOM 278 O LYS A 19 -11.525 3.537 13.721 1.00 0.00 O ATOM 279 CB LYS A 19 -13.343 4.915 11.498 1.00 0.00 C ATOM 280 CG LYS A 19 -13.885 3.647 10.833 1.00 0.00 C ATOM 281 CD LYS A 19 -13.798 3.793 9.311 1.00 0.00 C ATOM 282 CE LYS A 19 -13.920 2.417 8.654 1.00 0.00 C ATOM 283 NZ LYS A 19 -15.099 2.412 7.741 1.00 0.00 N ATOM 0 H LYS A 19 -14.475 6.667 12.862 1.00 0.00 H new ATOM 0 HA LYS A 19 -14.057 3.903 13.268 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.896 5.787 11.149 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.300 5.067 11.220 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.312 2.779 11.159 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.919 3.479 11.135 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.591 4.449 8.953 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.851 4.257 9.034 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.012 2.185 8.097 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.032 1.646 9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.186 1.478 7.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.961 2.616 8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.973 3.139 7.008 1.00 0.00 H new ATOM 297 N ARG A 20 -11.472 5.721 14.067 1.00 0.00 N ATOM 298 CA ARG A 20 -10.112 5.639 14.681 1.00 0.00 C ATOM 299 C ARG A 20 -10.208 5.926 16.189 1.00 0.00 C ATOM 300 O ARG A 20 -10.136 5.015 17.012 1.00 0.00 O ATOM 301 CB ARG A 20 -9.187 6.663 14.009 1.00 0.00 C ATOM 302 CG ARG A 20 -8.088 5.934 13.230 1.00 0.00 C ATOM 303 CD ARG A 20 -8.668 5.374 11.929 1.00 0.00 C ATOM 304 NE ARG A 20 -7.549 5.077 10.981 1.00 0.00 N ATOM 305 CZ ARG A 20 -7.789 4.872 9.730 1.00 0.00 C ATOM 306 NH1 ARG A 20 -7.910 5.872 8.929 1.00 0.00 N ATOM 307 NH2 ARG A 20 -7.907 3.667 9.292 1.00 0.00 N ATOM 0 H ARG A 20 -11.869 6.659 14.018 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.705 4.638 14.536 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.762 7.300 13.336 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.742 7.314 14.761 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.269 6.618 13.010 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.675 5.126 13.834 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.239 4.468 12.131 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.357 6.093 11.484 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.590 5.036 11.326 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.816 6.824 9.284 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.100 5.713 7.940 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.811 2.880 9.933 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.097 3.500 8.304 1.00 0.00 H new ATOM 321 N ASN A 21 -10.362 7.175 16.562 1.00 0.00 N ATOM 322 CA ASN A 21 -10.457 7.543 18.016 1.00 0.00 C ATOM 323 C ASN A 21 -10.341 9.070 18.176 1.00 0.00 C ATOM 324 O ASN A 21 -9.579 9.569 19.004 1.00 0.00 O ATOM 325 CB ASN A 21 -9.321 6.864 18.806 1.00 0.00 C ATOM 326 CG ASN A 21 -8.008 6.926 18.019 1.00 0.00 C ATOM 327 OD1 ASN A 21 -7.809 7.801 17.183 1.00 0.00 O ATOM 328 ND2 ASN A 21 -7.090 6.037 18.242 1.00 0.00 N ATOM 0 H ASN A 21 -10.427 7.963 15.918 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.419 7.206 18.402 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.197 7.356 19.771 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.582 5.825 19.009 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.212 6.070 17.724 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.246 5.305 18.935 1.00 0.00 H new ATOM 335 N MET A 22 -11.072 9.827 17.400 1.00 0.00 N ATOM 336 CA MET A 22 -10.977 11.313 17.513 1.00 0.00 C ATOM 337 C MET A 22 -12.371 11.950 17.606 1.00 0.00 C ATOM 338 O MET A 22 -13.184 11.852 16.688 1.00 0.00 O ATOM 339 CB MET A 22 -10.248 11.858 16.281 1.00 0.00 C ATOM 340 CG MET A 22 -8.741 11.628 16.432 1.00 0.00 C ATOM 341 SD MET A 22 -7.853 12.697 15.273 1.00 0.00 S ATOM 342 CE MET A 22 -6.327 11.729 15.199 1.00 0.00 C ATOM 0 H MET A 22 -11.727 9.484 16.697 1.00 0.00 H new ATOM 0 HA MET A 22 -10.428 11.562 18.421 1.00 0.00 H new ATOM 0 HB2 MET A 22 -10.613 11.363 15.381 1.00 0.00 H new ATOM 0 HB3 MET A 22 -10.454 12.922 16.165 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.429 11.843 17.454 1.00 0.00 H new ATOM 0 HG3 MET A 22 -8.500 10.583 16.238 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.478 12.398 15.062 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.204 11.172 16.128 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.378 11.032 14.363 1.00 0.00 H new ATOM 352 N THR A 23 -12.652 12.626 18.691 1.00 0.00 N ATOM 353 CA THR A 23 -13.980 13.300 18.844 1.00 0.00 C ATOM 354 C THR A 23 -14.065 14.455 17.845 1.00 0.00 C ATOM 355 O THR A 23 -13.423 15.488 18.017 1.00 0.00 O ATOM 356 CB THR A 23 -14.111 13.859 20.264 1.00 0.00 C ATOM 357 OG1 THR A 23 -12.840 14.313 20.706 1.00 0.00 O ATOM 358 CG2 THR A 23 -14.606 12.764 21.204 1.00 0.00 C ATOM 0 H THR A 23 -12.017 12.741 19.481 1.00 0.00 H new ATOM 0 HA THR A 23 -14.779 12.582 18.660 1.00 0.00 H new ATOM 0 HB THR A 23 -14.822 14.686 20.264 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.456 14.916 20.035 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.698 13.165 22.213 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.578 12.406 20.866 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.896 11.937 21.206 1.00 0.00 H new ATOM 366 N VAL A 24 -14.828 14.301 16.799 1.00 0.00 N ATOM 367 CA VAL A 24 -14.936 15.397 15.785 1.00 0.00 C ATOM 368 C VAL A 24 -15.769 16.553 16.361 1.00 0.00 C ATOM 369 O VAL A 24 -16.995 16.476 16.460 1.00 0.00 O ATOM 370 CB VAL A 24 -15.596 14.857 14.508 1.00 0.00 C ATOM 371 CG1 VAL A 24 -15.495 15.906 13.402 1.00 0.00 C ATOM 372 CG2 VAL A 24 -14.874 13.587 14.050 1.00 0.00 C ATOM 0 H VAL A 24 -15.381 13.468 16.599 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.939 15.764 15.541 1.00 0.00 H new ATOM 0 HB VAL A 24 -16.642 14.631 14.715 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -15.963 15.524 12.495 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -16.004 16.817 13.717 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -14.446 16.126 13.204 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -15.346 13.207 13.144 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -13.828 13.816 13.846 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -14.934 12.832 14.834 1.00 0.00 H new ATOM 382 N HIS A 25 -15.129 17.620 16.763 1.00 0.00 N ATOM 383 CA HIS A 25 -15.883 18.773 17.348 1.00 0.00 C ATOM 384 C HIS A 25 -15.563 20.059 16.563 1.00 0.00 C ATOM 385 O HIS A 25 -14.439 20.556 16.586 1.00 0.00 O ATOM 386 CB HIS A 25 -15.480 18.935 18.818 1.00 0.00 C ATOM 387 CG HIS A 25 -15.973 17.756 19.620 1.00 0.00 C ATOM 388 ND1 HIS A 25 -16.940 16.880 19.146 1.00 0.00 N ATOM 389 CD2 HIS A 25 -15.642 17.302 20.872 1.00 0.00 C ATOM 390 CE1 HIS A 25 -17.155 15.958 20.102 1.00 0.00 C ATOM 391 NE2 HIS A 25 -16.389 16.168 21.174 1.00 0.00 N ATOM 0 H HIS A 25 -14.118 17.745 16.712 1.00 0.00 H new ATOM 0 HA HIS A 25 -16.955 18.586 17.284 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -14.396 19.014 18.900 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -15.898 19.859 19.219 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -17.403 16.927 18.238 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -14.911 17.757 21.525 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -17.862 15.146 20.012 1.00 0.00 H new ATOM 399 N PHE A 26 -16.534 20.591 15.859 1.00 0.00 N ATOM 400 CA PHE A 26 -16.307 21.834 15.048 1.00 0.00 C ATOM 401 C PHE A 26 -17.243 22.962 15.538 1.00 0.00 C ATOM 402 O PHE A 26 -18.465 22.827 15.499 1.00 0.00 O ATOM 403 CB PHE A 26 -16.615 21.517 13.576 1.00 0.00 C ATOM 404 CG PHE A 26 -15.479 20.732 12.956 1.00 0.00 C ATOM 405 CD1 PHE A 26 -15.113 19.480 13.472 1.00 0.00 C ATOM 406 CD2 PHE A 26 -14.792 21.256 11.858 1.00 0.00 C ATOM 407 CE1 PHE A 26 -14.063 18.760 12.888 1.00 0.00 C ATOM 408 CE2 PHE A 26 -13.745 20.535 11.276 1.00 0.00 C ATOM 409 CZ PHE A 26 -13.379 19.289 11.791 1.00 0.00 C ATOM 0 H PHE A 26 -17.481 20.216 15.810 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.273 22.163 15.157 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.541 20.946 13.507 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -16.770 22.443 13.023 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.641 19.071 14.320 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.070 22.220 11.458 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.782 17.796 13.286 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -13.218 20.942 10.426 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.568 18.735 11.341 1.00 0.00 H new ATOM 419 N LYS A 27 -16.703 24.068 16.000 1.00 0.00 N ATOM 420 CA LYS A 27 -17.583 25.183 16.493 1.00 0.00 C ATOM 421 C LYS A 27 -17.006 26.563 16.110 1.00 0.00 C ATOM 422 O LYS A 27 -15.798 26.791 16.152 1.00 0.00 O ATOM 423 CB LYS A 27 -17.700 25.082 18.016 1.00 0.00 C ATOM 424 CG LYS A 27 -18.810 26.013 18.513 1.00 0.00 C ATOM 425 CD LYS A 27 -18.573 26.353 19.990 1.00 0.00 C ATOM 426 CE LYS A 27 -18.782 27.851 20.224 1.00 0.00 C ATOM 427 NZ LYS A 27 -17.649 28.618 19.635 1.00 0.00 N ATOM 0 H LYS A 27 -15.701 24.247 16.057 1.00 0.00 H new ATOM 0 HA LYS A 27 -18.564 25.087 16.027 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -17.918 24.054 18.306 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -16.752 25.350 18.482 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -18.827 26.926 17.917 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -19.782 25.535 18.391 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -19.256 25.780 20.617 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -17.561 26.069 20.279 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -19.722 28.171 19.774 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -18.854 28.055 21.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -17.444 29.446 20.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.807 28.010 19.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -17.904 28.935 18.678 1.00 0.00 H new ATOM 441 N VAL A 28 -17.860 27.491 15.746 1.00 0.00 N ATOM 442 CA VAL A 28 -17.382 28.867 15.361 1.00 0.00 C ATOM 443 C VAL A 28 -17.077 29.689 16.616 1.00 0.00 C ATOM 444 O VAL A 28 -17.816 29.638 17.593 1.00 0.00 O ATOM 445 CB VAL A 28 -18.476 29.597 14.558 1.00 0.00 C ATOM 446 CG1 VAL A 28 -17.893 30.844 13.882 1.00 0.00 C ATOM 447 CG2 VAL A 28 -19.046 28.679 13.478 1.00 0.00 C ATOM 0 H VAL A 28 -18.870 27.359 15.698 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.480 28.761 14.758 1.00 0.00 H new ATOM 0 HB VAL A 28 -19.267 29.886 15.250 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -18.675 31.351 13.318 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -17.498 31.519 14.642 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.091 30.550 13.206 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -19.817 29.209 12.920 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.249 28.378 12.799 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -19.479 27.794 13.944 1.00 0.00 H new ATOM 457 N LEU A 29 -16.025 30.467 16.599 1.00 0.00 N ATOM 458 CA LEU A 29 -15.691 31.322 17.786 1.00 0.00 C ATOM 459 C LEU A 29 -16.695 32.478 17.835 1.00 0.00 C ATOM 460 O LEU A 29 -17.233 32.817 18.887 1.00 0.00 O ATOM 461 CB LEU A 29 -14.257 31.876 17.659 1.00 0.00 C ATOM 462 CG LEU A 29 -13.328 30.811 17.072 1.00 0.00 C ATOM 463 CD1 LEU A 29 -11.927 31.396 16.878 1.00 0.00 C ATOM 464 CD2 LEU A 29 -13.251 29.629 18.036 1.00 0.00 C ATOM 0 H LEU A 29 -15.379 30.549 15.814 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.747 30.731 18.700 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.256 32.760 17.022 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.892 32.188 18.638 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.717 30.481 16.109 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.269 30.634 16.460 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.978 32.245 16.196 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.534 31.726 17.840 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.591 28.866 17.624 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.861 29.967 18.996 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.247 29.209 18.177 1.00 0.00 H new ATOM 476 N ARG A 30 -16.975 33.061 16.701 1.00 0.00 N ATOM 477 CA ARG A 30 -17.974 34.176 16.650 1.00 0.00 C ATOM 478 C ARG A 30 -19.323 33.633 16.131 1.00 0.00 C ATOM 479 O ARG A 30 -19.505 32.425 15.992 1.00 0.00 O ATOM 480 CB ARG A 30 -17.461 35.296 15.731 1.00 0.00 C ATOM 481 CG ARG A 30 -16.396 36.113 16.469 1.00 0.00 C ATOM 482 CD ARG A 30 -15.815 37.169 15.525 1.00 0.00 C ATOM 483 NE ARG A 30 -16.652 38.408 15.589 1.00 0.00 N ATOM 484 CZ ARG A 30 -16.435 39.382 14.769 1.00 0.00 C ATOM 485 NH1 ARG A 30 -16.969 39.366 13.599 1.00 0.00 N ATOM 486 NH2 ARG A 30 -15.685 40.365 15.127 1.00 0.00 N ATOM 0 H ARG A 30 -16.556 32.815 15.804 1.00 0.00 H new ATOM 0 HA ARG A 30 -18.115 34.584 17.651 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -17.041 34.870 14.820 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -18.286 35.941 15.430 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -16.833 36.594 17.344 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -15.604 35.456 16.829 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.787 37.397 15.805 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -15.790 36.786 14.505 1.00 0.00 H new ATOM 0 HE ARG A 30 -17.396 38.483 16.282 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -17.563 38.585 13.320 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.799 40.134 12.950 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.264 40.373 16.056 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.512 41.136 14.482 1.00 0.00 H new ATOM 631 N PHE A 40 -16.974 33.767 10.734 1.00 0.00 N ATOM 632 CA PHE A 40 -15.713 34.552 10.941 1.00 0.00 C ATOM 633 C PHE A 40 -14.543 33.583 11.170 1.00 0.00 C ATOM 634 O PHE A 40 -13.621 33.492 10.362 1.00 0.00 O ATOM 635 CB PHE A 40 -15.866 35.472 12.158 1.00 0.00 C ATOM 636 CG PHE A 40 -17.079 36.353 11.980 1.00 0.00 C ATOM 637 CD1 PHE A 40 -17.064 37.381 11.032 1.00 0.00 C ATOM 638 CD2 PHE A 40 -18.219 36.139 12.762 1.00 0.00 C ATOM 639 CE1 PHE A 40 -18.189 38.196 10.863 1.00 0.00 C ATOM 640 CE2 PHE A 40 -19.346 36.954 12.594 1.00 0.00 C ATOM 641 CZ PHE A 40 -19.330 37.983 11.646 1.00 0.00 C ATOM 0 HA PHE A 40 -15.517 35.160 10.058 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -15.967 34.877 13.066 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.973 36.086 12.277 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -16.183 37.546 10.429 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -18.230 35.346 13.495 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -18.177 38.988 10.129 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -20.227 36.788 13.196 1.00 0.00 H new ATOM 0 HZ PHE A 40 -20.198 38.613 11.518 1.00 0.00 H new ATOM 651 N ILE A 41 -14.572 32.850 12.251 1.00 0.00 N ATOM 652 CA ILE A 41 -13.475 31.875 12.534 1.00 0.00 C ATOM 653 C ILE A 41 -14.086 30.600 13.127 1.00 0.00 C ATOM 654 O ILE A 41 -14.743 30.631 14.170 1.00 0.00 O ATOM 655 CB ILE A 41 -12.473 32.477 13.530 1.00 0.00 C ATOM 656 CG1 ILE A 41 -12.127 33.914 13.123 1.00 0.00 C ATOM 657 CG2 ILE A 41 -11.192 31.640 13.528 1.00 0.00 C ATOM 658 CD1 ILE A 41 -11.266 34.559 14.210 1.00 0.00 C ATOM 0 H ILE A 41 -15.311 32.884 12.954 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.950 31.642 11.608 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.919 32.479 14.525 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.593 33.916 12.173 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -13.040 34.492 12.977 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -10.479 32.065 14.234 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.426 30.616 13.820 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.758 31.642 12.528 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.020 35.581 13.921 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.816 34.571 15.151 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.347 33.986 14.334 1.00 0.00 H new ATOM 670 N THR A 42 -13.892 29.483 12.484 1.00 0.00 N ATOM 671 CA THR A 42 -14.465 28.204 13.005 1.00 0.00 C ATOM 672 C THR A 42 -13.343 27.336 13.577 1.00 0.00 C ATOM 673 O THR A 42 -12.384 26.998 12.886 1.00 0.00 O ATOM 674 CB THR A 42 -15.174 27.459 11.868 1.00 0.00 C ATOM 675 OG1 THR A 42 -16.188 28.293 11.321 1.00 0.00 O ATOM 676 CG2 THR A 42 -15.814 26.178 12.404 1.00 0.00 C ATOM 0 H THR A 42 -13.360 29.397 11.618 1.00 0.00 H new ATOM 0 HA THR A 42 -15.185 28.422 13.793 1.00 0.00 H new ATOM 0 HB THR A 42 -14.446 27.204 11.098 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.642 27.821 10.592 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.316 25.654 11.591 1.00 0.00 H new ATOM 0 HG22 THR A 42 -15.042 25.536 12.828 1.00 0.00 H new ATOM 0 HG23 THR A 42 -16.541 26.430 13.176 1.00 0.00 H new ATOM 684 N ALA A 43 -13.442 26.970 14.824 1.00 0.00 N ATOM 685 CA ALA A 43 -12.382 26.126 15.446 1.00 0.00 C ATOM 686 C ALA A 43 -12.838 24.661 15.491 1.00 0.00 C ATOM 687 O ALA A 43 -14.025 24.361 15.628 1.00 0.00 O ATOM 688 CB ALA A 43 -12.112 26.630 16.866 1.00 0.00 C ATOM 0 H ALA A 43 -14.214 27.220 15.442 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.469 26.191 14.854 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.338 26.018 17.328 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.779 27.667 16.827 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.027 26.564 17.455 1.00 0.00 H new ATOM 694 N CYS A 44 -11.915 23.747 15.386 1.00 0.00 N ATOM 695 CA CYS A 44 -12.278 22.300 15.428 1.00 0.00 C ATOM 696 C CYS A 44 -11.249 21.542 16.276 1.00 0.00 C ATOM 697 O CYS A 44 -10.062 21.876 16.295 1.00 0.00 O ATOM 698 CB CYS A 44 -12.304 21.728 14.006 1.00 0.00 C ATOM 699 SG CYS A 44 -10.997 22.487 13.010 1.00 0.00 S ATOM 0 H CYS A 44 -10.920 23.939 15.272 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.267 22.187 15.872 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.167 20.647 14.037 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.276 21.913 13.548 1.00 0.00 H new ATOM 0 HG CYS A 44 -10.530 23.531 13.629 1.00 0.00 H new ATOM 705 N ILE A 45 -11.677 20.535 16.983 1.00 0.00 N ATOM 706 CA ILE A 45 -10.727 19.760 17.835 1.00 0.00 C ATOM 707 C ILE A 45 -10.960 18.257 17.646 1.00 0.00 C ATOM 708 O ILE A 45 -12.080 17.809 17.399 1.00 0.00 O ATOM 709 CB ILE A 45 -10.935 20.145 19.308 1.00 0.00 C ATOM 710 CG1 ILE A 45 -9.836 19.515 20.166 1.00 0.00 C ATOM 711 CG2 ILE A 45 -12.298 19.647 19.796 1.00 0.00 C ATOM 712 CD1 ILE A 45 -9.953 20.029 21.602 1.00 0.00 C ATOM 0 H ILE A 45 -12.644 20.213 17.009 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.704 19.994 17.542 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.895 21.231 19.395 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.924 18.429 20.149 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.855 19.762 19.759 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.434 19.926 20.841 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -13.087 20.098 19.194 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -12.344 18.562 19.701 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.170 19.581 22.214 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.844 21.113 21.610 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.929 19.760 22.006 1.00 0.00 H new ATOM 724 N VAL A 46 -9.922 17.474 17.763 1.00 0.00 N ATOM 725 CA VAL A 46 -10.064 15.993 17.605 1.00 0.00 C ATOM 726 C VAL A 46 -9.204 15.288 18.662 1.00 0.00 C ATOM 727 O VAL A 46 -8.259 15.868 19.199 1.00 0.00 O ATOM 728 CB VAL A 46 -9.615 15.560 16.198 1.00 0.00 C ATOM 729 CG1 VAL A 46 -10.661 15.989 15.168 1.00 0.00 C ATOM 730 CG2 VAL A 46 -8.272 16.207 15.847 1.00 0.00 C ATOM 0 H VAL A 46 -8.975 17.796 17.962 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.110 15.718 17.737 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.506 14.476 16.185 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.340 15.681 14.173 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.616 15.520 15.402 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.773 17.073 15.193 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.966 15.892 14.849 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.374 17.292 15.870 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.519 15.898 16.572 1.00 0.00 H new ATOM 740 N GLY A 47 -9.517 14.050 18.972 1.00 0.00 N ATOM 741 CA GLY A 47 -8.727 13.286 20.001 1.00 0.00 C ATOM 742 C GLY A 47 -7.281 13.101 19.530 1.00 0.00 C ATOM 743 O GLY A 47 -6.846 11.993 19.234 1.00 0.00 O ATOM 0 H GLY A 47 -10.290 13.531 18.555 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.742 13.820 20.951 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.188 12.313 20.175 1.00 0.00 H new ATOM 747 N SER A 48 -6.539 14.172 19.454 1.00 0.00 N ATOM 748 CA SER A 48 -5.115 14.095 18.999 1.00 0.00 C ATOM 749 C SER A 48 -4.558 15.512 18.795 1.00 0.00 C ATOM 750 O SER A 48 -3.417 15.796 19.153 1.00 0.00 O ATOM 751 CB SER A 48 -5.030 13.324 17.675 1.00 0.00 C ATOM 752 OG SER A 48 -3.810 13.645 17.011 1.00 0.00 O ATOM 0 H SER A 48 -6.860 15.111 19.690 1.00 0.00 H new ATOM 0 HA SER A 48 -4.529 13.577 19.759 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.082 12.252 17.863 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.879 13.578 17.040 1.00 0.00 H new ATOM 0 HG SER A 48 -3.757 13.150 16.167 1.00 0.00 H new ATOM 758 N ILE A 49 -5.337 16.405 18.226 1.00 0.00 N ATOM 759 CA ILE A 49 -4.840 17.800 17.995 1.00 0.00 C ATOM 760 C ILE A 49 -6.023 18.772 17.827 1.00 0.00 C ATOM 761 O ILE A 49 -7.192 18.392 17.913 1.00 0.00 O ATOM 762 CB ILE A 49 -3.972 17.857 16.721 1.00 0.00 C ATOM 763 CG1 ILE A 49 -3.924 16.494 16.021 1.00 0.00 C ATOM 764 CG2 ILE A 49 -2.548 18.268 17.092 1.00 0.00 C ATOM 765 CD1 ILE A 49 -3.317 16.660 14.625 1.00 0.00 C ATOM 0 H ILE A 49 -6.292 16.228 17.913 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.245 18.091 18.860 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.416 18.585 16.043 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.330 15.793 16.607 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.928 16.076 15.946 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.935 18.308 16.192 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.564 19.250 17.564 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.128 17.539 17.785 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.282 15.692 14.126 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.929 17.347 14.041 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.307 17.060 14.713 1.00 0.00 H new ATOM 777 N VAL A 50 -5.730 20.022 17.572 1.00 0.00 N ATOM 778 CA VAL A 50 -6.809 21.042 17.373 1.00 0.00 C ATOM 779 C VAL A 50 -6.526 21.807 16.069 1.00 0.00 C ATOM 780 O VAL A 50 -5.391 21.845 15.595 1.00 0.00 O ATOM 781 CB VAL A 50 -6.823 22.025 18.555 1.00 0.00 C ATOM 782 CG1 VAL A 50 -8.172 22.739 18.617 1.00 0.00 C ATOM 783 CG2 VAL A 50 -6.609 21.268 19.869 1.00 0.00 C ATOM 0 H VAL A 50 -4.780 20.385 17.492 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.779 20.548 17.315 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.023 22.751 18.414 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.177 23.435 19.456 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.336 23.288 17.690 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.967 22.005 18.749 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.620 21.972 20.701 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.406 20.537 20.002 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.648 20.755 19.841 1.00 0.00 H new ATOM 793 N THR A 51 -7.523 22.410 15.474 1.00 0.00 N ATOM 794 CA THR A 51 -7.287 23.159 14.194 1.00 0.00 C ATOM 795 C THR A 51 -8.283 24.321 14.058 1.00 0.00 C ATOM 796 O THR A 51 -9.368 24.307 14.643 1.00 0.00 O ATOM 797 CB THR A 51 -7.457 22.206 13.001 1.00 0.00 C ATOM 798 OG1 THR A 51 -6.961 20.921 13.339 1.00 0.00 O ATOM 799 CG2 THR A 51 -6.678 22.738 11.804 1.00 0.00 C ATOM 0 H THR A 51 -8.485 22.419 15.813 1.00 0.00 H new ATOM 0 HA THR A 51 -6.274 23.560 14.208 1.00 0.00 H new ATOM 0 HB THR A 51 -8.516 22.137 12.751 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.610 20.484 12.535 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.801 22.060 10.960 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.054 23.725 11.534 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.621 22.810 12.061 1.00 0.00 H new ATOM 807 N GLU A 52 -7.939 25.329 13.297 1.00 0.00 N ATOM 808 CA GLU A 52 -8.863 26.495 13.117 1.00 0.00 C ATOM 809 C GLU A 52 -9.207 26.676 11.624 1.00 0.00 C ATOM 810 O GLU A 52 -8.459 26.262 10.731 1.00 0.00 O ATOM 811 CB GLU A 52 -8.194 27.770 13.665 1.00 0.00 C ATOM 812 CG GLU A 52 -7.050 28.206 12.739 1.00 0.00 C ATOM 813 CD GLU A 52 -5.744 27.582 13.218 1.00 0.00 C ATOM 814 OE1 GLU A 52 -5.437 26.489 12.770 1.00 0.00 O ATOM 815 OE2 GLU A 52 -5.073 28.202 14.008 1.00 0.00 O ATOM 0 H GLU A 52 -7.056 25.397 12.790 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.786 26.309 13.666 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.930 28.570 13.747 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.810 27.586 14.668 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.259 27.897 11.715 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.966 29.293 12.734 1.00 0.00 H new ATOM 822 N GLY A 53 -10.332 27.289 11.345 1.00 0.00 N ATOM 823 CA GLY A 53 -10.765 27.521 9.927 1.00 0.00 C ATOM 824 C GLY A 53 -11.232 28.974 9.776 1.00 0.00 C ATOM 825 O GLY A 53 -12.262 29.370 10.323 1.00 0.00 O ATOM 0 H GLY A 53 -10.979 27.644 12.049 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.940 27.318 9.244 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.572 26.837 9.664 1.00 0.00 H new ATOM 829 N GLU A 54 -10.484 29.778 9.071 1.00 0.00 N ATOM 830 CA GLU A 54 -10.846 31.227 8.902 1.00 0.00 C ATOM 831 C GLU A 54 -12.120 31.415 8.045 1.00 0.00 C ATOM 832 O GLU A 54 -12.120 32.151 7.058 1.00 0.00 O ATOM 833 CB GLU A 54 -9.675 31.962 8.233 1.00 0.00 C ATOM 834 CG GLU A 54 -8.351 31.587 8.923 1.00 0.00 C ATOM 835 CD GLU A 54 -7.612 30.538 8.092 1.00 0.00 C ATOM 836 OE1 GLU A 54 -7.881 29.357 8.272 1.00 0.00 O ATOM 837 OE2 GLU A 54 -6.804 30.924 7.268 1.00 0.00 O ATOM 0 H GLU A 54 -9.626 29.495 8.597 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.049 31.637 9.891 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.629 31.702 7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.831 33.039 8.290 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.729 32.474 9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.548 31.199 9.922 1.00 0.00 H new ATOM 844 N GLY A 55 -13.214 30.795 8.406 1.00 0.00 N ATOM 845 CA GLY A 55 -14.477 30.990 7.612 1.00 0.00 C ATOM 846 C GLY A 55 -15.100 32.342 7.987 1.00 0.00 C ATOM 847 O GLY A 55 -15.826 32.444 8.974 1.00 0.00 O ATOM 0 H GLY A 55 -13.294 30.168 9.206 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.259 30.959 6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.179 30.182 7.817 1.00 0.00 H new ATOM 943 N LYS A 62 -16.904 25.937 8.523 1.00 0.00 N ATOM 944 CA LYS A 62 -17.046 24.519 8.960 1.00 0.00 C ATOM 945 C LYS A 62 -16.280 23.627 7.971 1.00 0.00 C ATOM 946 O LYS A 62 -15.592 22.689 8.361 1.00 0.00 O ATOM 947 CB LYS A 62 -18.540 24.151 9.004 1.00 0.00 C ATOM 948 CG LYS A 62 -19.253 25.064 10.015 1.00 0.00 C ATOM 949 CD LYS A 62 -20.772 24.872 9.921 1.00 0.00 C ATOM 950 CE LYS A 62 -21.474 26.234 9.998 1.00 0.00 C ATOM 951 NZ LYS A 62 -22.430 26.217 11.140 1.00 0.00 N ATOM 0 HA LYS A 62 -16.632 24.374 9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -18.985 24.265 8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -18.662 23.106 9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -18.912 24.837 11.025 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -18.998 26.105 9.819 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -21.028 24.373 8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -21.117 24.228 10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -20.741 27.030 10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -22.002 26.440 9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -22.913 27.136 11.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -23.134 25.466 10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -21.912 26.037 12.024 1.00 0.00 H new ATOM 965 N LYS A 63 -16.355 23.938 6.698 1.00 0.00 N ATOM 966 CA LYS A 63 -15.601 23.145 5.677 1.00 0.00 C ATOM 967 C LYS A 63 -14.095 23.415 5.845 1.00 0.00 C ATOM 968 O LYS A 63 -13.325 22.507 6.136 1.00 0.00 O ATOM 969 CB LYS A 63 -16.047 23.565 4.269 1.00 0.00 C ATOM 970 CG LYS A 63 -16.945 22.482 3.663 1.00 0.00 C ATOM 971 CD LYS A 63 -18.410 22.922 3.764 1.00 0.00 C ATOM 972 CE LYS A 63 -19.295 21.985 2.937 1.00 0.00 C ATOM 973 NZ LYS A 63 -19.836 20.909 3.820 1.00 0.00 N ATOM 0 H LYS A 63 -16.907 24.709 6.322 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.801 22.082 5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.585 24.512 4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.175 23.724 3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.676 22.312 2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.800 21.538 4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.730 22.913 4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.516 23.946 3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -20.113 22.545 2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.719 21.547 2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -20.589 20.395 3.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -19.073 20.248 4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -20.223 21.333 4.687 1.00 0.00 H new ATOM 987 N ARG A 64 -13.669 24.650 5.680 1.00 0.00 N ATOM 988 CA ARG A 64 -12.211 24.990 5.838 1.00 0.00 C ATOM 989 C ARG A 64 -11.669 24.412 7.152 1.00 0.00 C ATOM 990 O ARG A 64 -10.573 23.847 7.194 1.00 0.00 O ATOM 991 CB ARG A 64 -12.033 26.514 5.835 1.00 0.00 C ATOM 992 CG ARG A 64 -10.536 26.857 5.883 1.00 0.00 C ATOM 993 CD ARG A 64 -10.341 28.356 5.632 1.00 0.00 C ATOM 994 NE ARG A 64 -8.890 28.706 5.793 1.00 0.00 N ATOM 995 CZ ARG A 64 -8.173 29.065 4.774 1.00 0.00 C ATOM 996 NH1 ARG A 64 -8.312 28.467 3.637 1.00 0.00 N ATOM 997 NH2 ARG A 64 -7.308 30.013 4.905 1.00 0.00 N ATOM 0 H ARG A 64 -14.269 25.440 5.442 1.00 0.00 H new ATOM 0 HA ARG A 64 -11.657 24.556 5.006 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -12.486 26.942 4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -12.545 26.952 6.692 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.122 26.584 6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.997 26.280 5.132 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.679 28.615 4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.945 28.934 6.331 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.462 28.661 6.718 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.988 27.709 3.538 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.746 28.753 2.838 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.191 30.476 5.806 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.741 30.300 4.107 1.00 0.00 H new ATOM 1011 N ALA A 65 -12.417 24.524 8.223 1.00 0.00 N ATOM 1012 CA ALA A 65 -11.949 23.960 9.522 1.00 0.00 C ATOM 1013 C ALA A 65 -11.624 22.464 9.319 1.00 0.00 C ATOM 1014 O ALA A 65 -10.603 21.956 9.786 1.00 0.00 O ATOM 1015 CB ALA A 65 -13.056 24.120 10.571 1.00 0.00 C ATOM 0 H ALA A 65 -13.329 24.981 8.251 1.00 0.00 H new ATOM 0 HA ALA A 65 -11.058 24.485 9.866 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.718 23.709 11.522 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.290 25.177 10.695 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.948 23.588 10.242 1.00 0.00 H new ATOM 1021 N ALA A 66 -12.472 21.762 8.601 1.00 0.00 N ATOM 1022 CA ALA A 66 -12.232 20.311 8.328 1.00 0.00 C ATOM 1023 C ALA A 66 -11.130 20.153 7.265 1.00 0.00 C ATOM 1024 O ALA A 66 -10.276 19.270 7.371 1.00 0.00 O ATOM 1025 CB ALA A 66 -13.532 19.676 7.828 1.00 0.00 C ATOM 0 H ALA A 66 -13.327 22.138 8.190 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.910 19.815 9.243 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.366 18.618 7.626 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.305 19.784 8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.852 20.174 6.913 1.00 0.00 H new ATOM 1031 N GLU A 67 -11.119 21.000 6.258 1.00 0.00 N ATOM 1032 CA GLU A 67 -10.058 20.920 5.201 1.00 0.00 C ATOM 1033 C GLU A 67 -8.696 20.821 5.889 1.00 0.00 C ATOM 1034 O GLU A 67 -7.935 19.874 5.686 1.00 0.00 O ATOM 1035 CB GLU A 67 -10.091 22.194 4.339 1.00 0.00 C ATOM 1036 CG GLU A 67 -11.242 22.120 3.321 1.00 0.00 C ATOM 1037 CD GLU A 67 -11.798 23.524 3.036 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -11.009 24.448 2.885 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -13.009 23.652 2.972 1.00 0.00 O ATOM 0 H GLU A 67 -11.802 21.745 6.124 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.230 20.050 4.568 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.216 23.069 4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.142 22.313 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.888 21.668 2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.035 21.479 3.706 1.00 0.00 H new ATOM 1046 N LYS A 68 -8.396 21.779 6.721 1.00 0.00 N ATOM 1047 CA LYS A 68 -7.104 21.771 7.463 1.00 0.00 C ATOM 1048 C LYS A 68 -7.003 20.503 8.325 1.00 0.00 C ATOM 1049 O LYS A 68 -6.012 19.783 8.272 1.00 0.00 O ATOM 1050 CB LYS A 68 -7.042 23.011 8.355 1.00 0.00 C ATOM 1051 CG LYS A 68 -5.617 23.555 8.367 1.00 0.00 C ATOM 1052 CD LYS A 68 -5.659 25.063 8.599 1.00 0.00 C ATOM 1053 CE LYS A 68 -4.898 25.397 9.875 1.00 0.00 C ATOM 1054 NZ LYS A 68 -5.224 26.794 10.266 1.00 0.00 N ATOM 0 H LYS A 68 -8.999 22.577 6.921 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.273 21.781 6.757 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.731 23.772 7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.356 22.760 9.368 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.036 23.070 9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.122 23.334 7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.217 25.586 7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.692 25.402 8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.173 24.706 10.672 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.825 25.289 9.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.927 26.958 11.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.724 27.456 9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.249 26.947 10.184 1.00 0.00 H new ATOM 1068 N MET A 69 -8.010 20.212 9.112 1.00 0.00 N ATOM 1069 CA MET A 69 -7.971 18.987 9.974 1.00 0.00 C ATOM 1070 C MET A 69 -7.584 17.755 9.137 1.00 0.00 C ATOM 1071 O MET A 69 -6.635 17.044 9.460 1.00 0.00 O ATOM 1072 CB MET A 69 -9.350 18.768 10.607 1.00 0.00 C ATOM 1073 CG MET A 69 -9.499 19.675 11.830 1.00 0.00 C ATOM 1074 SD MET A 69 -10.296 18.754 13.169 1.00 0.00 S ATOM 1075 CE MET A 69 -9.114 19.187 14.470 1.00 0.00 C ATOM 0 H MET A 69 -8.859 20.771 9.195 1.00 0.00 H new ATOM 0 HA MET A 69 -7.225 19.126 10.756 1.00 0.00 H new ATOM 0 HB2 MET A 69 -10.134 18.986 9.882 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.467 17.724 10.899 1.00 0.00 H new ATOM 0 HG2 MET A 69 -8.521 20.033 12.152 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.092 20.553 11.575 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.479 18.822 15.430 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.149 18.730 14.252 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.001 20.270 14.513 1.00 0.00 H new ATOM 1085 N LEU A 70 -8.291 17.486 8.069 1.00 0.00 N ATOM 1086 CA LEU A 70 -7.945 16.299 7.224 1.00 0.00 C ATOM 1087 C LEU A 70 -6.577 16.508 6.549 1.00 0.00 C ATOM 1088 O LEU A 70 -5.746 15.600 6.510 1.00 0.00 O ATOM 1089 CB LEU A 70 -9.027 16.096 6.156 1.00 0.00 C ATOM 1090 CG LEU A 70 -10.379 15.819 6.823 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -11.413 15.496 5.747 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -10.260 14.625 7.777 1.00 0.00 C ATOM 0 H LEU A 70 -9.089 18.033 7.745 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.892 15.414 7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.098 16.983 5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.756 15.264 5.506 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.686 16.700 7.386 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.377 15.298 6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.507 16.343 5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.094 14.616 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.226 14.436 8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.949 13.742 7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.520 14.846 8.546 1.00 0.00 H new ATOM 1104 N VAL A 71 -6.321 17.684 6.025 1.00 0.00 N ATOM 1105 CA VAL A 71 -5.000 17.952 5.359 1.00 0.00 C ATOM 1106 C VAL A 71 -3.857 17.834 6.383 1.00 0.00 C ATOM 1107 O VAL A 71 -2.720 17.494 6.040 1.00 0.00 O ATOM 1108 CB VAL A 71 -5.006 19.368 4.761 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -3.591 19.761 4.331 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -5.919 19.404 3.536 1.00 0.00 C ATOM 0 H VAL A 71 -6.969 18.472 6.029 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.846 17.219 4.567 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.367 20.066 5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.605 20.766 3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.929 19.741 5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.230 19.057 3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.922 20.409 3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.555 18.698 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.933 19.131 3.830 1.00 0.00 H new ATOM 1120 N GLU A 72 -4.123 18.114 7.629 1.00 0.00 N ATOM 1121 CA GLU A 72 -3.053 18.025 8.659 1.00 0.00 C ATOM 1122 C GLU A 72 -3.007 16.605 9.243 1.00 0.00 C ATOM 1123 O GLU A 72 -1.932 16.037 9.422 1.00 0.00 O ATOM 1124 CB GLU A 72 -3.326 19.059 9.755 1.00 0.00 C ATOM 1125 CG GLU A 72 -3.156 20.468 9.164 1.00 0.00 C ATOM 1126 CD GLU A 72 -2.726 21.453 10.250 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -1.582 21.377 10.664 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -3.543 22.275 10.633 1.00 0.00 O ATOM 0 H GLU A 72 -5.038 18.401 7.978 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.084 18.237 8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.335 18.934 10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.639 18.915 10.589 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.412 20.448 8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.094 20.797 8.716 1.00 0.00 H new ATOM 1135 N LEU A 73 -4.146 16.021 9.524 1.00 0.00 N ATOM 1136 CA LEU A 73 -4.177 14.629 10.087 1.00 0.00 C ATOM 1137 C LEU A 73 -3.743 13.611 9.022 1.00 0.00 C ATOM 1138 O LEU A 73 -2.992 12.688 9.309 1.00 0.00 O ATOM 1139 CB LEU A 73 -5.601 14.296 10.553 1.00 0.00 C ATOM 1140 CG LEU A 73 -5.984 15.184 11.737 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -7.498 15.149 11.929 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -5.309 14.664 13.003 1.00 0.00 C ATOM 0 H LEU A 73 -5.062 16.449 9.388 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.488 14.577 10.930 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.305 14.444 9.734 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.663 13.246 10.840 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.660 16.206 11.541 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.772 15.782 12.773 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.988 15.515 11.027 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.816 14.125 12.125 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.582 15.297 13.847 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.635 13.642 13.196 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.227 14.681 12.872 1.00 0.00 H new ATOM 1154 N GLN A 74 -4.186 13.761 7.799 1.00 0.00 N ATOM 1155 CA GLN A 74 -3.771 12.792 6.729 1.00 0.00 C ATOM 1156 C GLN A 74 -2.317 13.068 6.295 1.00 0.00 C ATOM 1157 O GLN A 74 -1.820 12.484 5.333 1.00 0.00 O ATOM 1158 CB GLN A 74 -4.699 12.939 5.520 1.00 0.00 C ATOM 1159 CG GLN A 74 -6.091 12.401 5.871 1.00 0.00 C ATOM 1160 CD GLN A 74 -6.991 12.451 4.638 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -7.562 11.445 4.240 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -7.154 13.574 4.008 1.00 0.00 N ATOM 0 H GLN A 74 -4.813 14.505 7.493 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.838 11.778 7.124 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -4.766 13.986 5.226 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.292 12.394 4.668 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.014 11.376 6.235 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.528 12.993 6.675 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.680 14.416 4.335 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.756 13.615 3.185 1.00 0.00 H new ATOM 1171 N LYS A 75 -1.636 13.948 6.982 1.00 0.00 N ATOM 1172 CA LYS A 75 -0.226 14.276 6.627 1.00 0.00 C ATOM 1173 C LYS A 75 0.690 14.062 7.854 1.00 0.00 C ATOM 1174 O LYS A 75 1.876 14.394 7.823 1.00 0.00 O ATOM 1175 CB LYS A 75 -0.189 15.741 6.196 1.00 0.00 C ATOM 1176 CG LYS A 75 1.196 16.102 5.643 1.00 0.00 C ATOM 1177 CD LYS A 75 1.565 17.533 6.059 1.00 0.00 C ATOM 1178 CE LYS A 75 1.385 17.704 7.571 1.00 0.00 C ATOM 1179 NZ LYS A 75 0.116 18.454 7.840 1.00 0.00 N ATOM 0 H LYS A 75 -2.003 14.459 7.784 1.00 0.00 H new ATOM 0 HA LYS A 75 0.127 13.631 5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.949 15.922 5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.427 16.382 7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.942 15.401 6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.197 16.018 4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.597 17.746 5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.938 18.248 5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.354 16.729 8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.235 18.243 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.347 18.062 8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.334 19.458 8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.521 18.363 7.023 1.00 0.00 H new ATOM 1193 N LEU A 76 0.161 13.536 8.931 1.00 0.00 N ATOM 1194 CA LEU A 76 0.986 13.309 10.153 1.00 0.00 C ATOM 1195 C LEU A 76 1.295 11.809 10.312 1.00 0.00 C ATOM 1196 O LEU A 76 2.465 11.477 10.424 1.00 0.00 O ATOM 1197 CB LEU A 76 0.201 13.806 11.368 1.00 0.00 C ATOM 1198 CG LEU A 76 0.291 15.329 11.446 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -0.715 15.848 12.469 1.00 0.00 C ATOM 1200 CD2 LEU A 76 1.699 15.732 11.875 1.00 0.00 C ATOM 1201 OXT LEU A 76 0.360 11.017 10.323 1.00 0.00 O ATOM 0 H LEU A 76 -0.815 13.253 9.014 1.00 0.00 H new ATOM 0 HA LEU A 76 1.928 13.850 10.068 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.841 13.496 11.292 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.600 13.361 12.279 1.00 0.00 H new ATOM 0 HG LEU A 76 0.069 15.756 10.468 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.650 16.935 12.524 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.722 15.559 12.168 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.492 15.421 13.447 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.765 16.819 11.931 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.918 15.304 12.853 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.421 15.362 11.147 1.00 0.00 H new