USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=10 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 51 GLN : amide:sc= -0.441 K(o=-0.44,f=-2.7!) USER MOD Set 1.2: A 54 GLN : amide:sc= 0 X(o=-0.44,f=-0.44) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -24:sc= -0.104 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 170:sc= -0.572 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.048) USER MOD Single : A 36 SER OG : rot 180:sc= 0.06 USER MOD Single : A 37 GLN : amide:sc= -2.67! C(o=-2.7!,f=-5.1!) USER MOD Single : A 45 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.055) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -163:sc= 0 (180deg=-0.28) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -111:sc= -0.149 (180deg=-0.335) USER MOD ----------------------------------------------------------------- ATOM 109 N VAL A 8 10.479 -2.772 5.258 1.00 0.00 N ATOM 110 CA VAL A 8 9.032 -2.617 5.576 1.00 0.00 C ATOM 111 C VAL A 8 8.724 -1.140 5.832 1.00 0.00 C ATOM 112 O VAL A 8 9.519 -0.422 6.404 1.00 0.00 O ATOM 113 CB VAL A 8 8.694 -3.432 6.827 1.00 0.00 C ATOM 114 CG1 VAL A 8 7.228 -3.213 7.200 1.00 0.00 C ATOM 115 CG2 VAL A 8 8.932 -4.919 6.546 1.00 0.00 C ATOM 0 HA VAL A 8 8.434 -2.975 4.737 1.00 0.00 H new ATOM 0 HB VAL A 8 9.330 -3.110 7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.989 -3.794 8.091 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.058 -2.155 7.400 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.591 -3.534 6.376 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.692 -5.500 7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.296 -5.240 5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.978 -5.076 6.281 1.00 0.00 H new ATOM 125 N TYR A 9 7.577 -0.681 5.410 1.00 0.00 N ATOM 126 CA TYR A 9 7.225 0.751 5.629 1.00 0.00 C ATOM 127 C TYR A 9 5.968 0.848 6.498 1.00 0.00 C ATOM 128 O TYR A 9 5.518 -0.120 7.076 1.00 0.00 O ATOM 129 CB TYR A 9 6.950 1.426 4.280 1.00 0.00 C ATOM 130 CG TYR A 9 8.245 1.630 3.533 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.027 0.527 3.170 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.660 2.925 3.197 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.225 0.720 2.472 1.00 0.00 C ATOM 134 CE2 TYR A 9 9.857 3.118 2.498 1.00 0.00 C ATOM 135 CZ TYR A 9 10.640 2.014 2.135 1.00 0.00 C ATOM 136 OH TYR A 9 11.818 2.200 1.443 1.00 0.00 O ATOM 0 H TYR A 9 6.870 -1.234 4.925 1.00 0.00 H new ATOM 0 HA TYR A 9 8.056 1.248 6.129 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.272 0.812 3.688 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.456 2.385 4.437 1.00 0.00 H new ATOM 0 HD1 TYR A 9 8.706 -0.472 3.428 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.056 3.775 3.478 1.00 0.00 H new ATOM 0 HE1 TYR A 9 10.830 -0.130 2.193 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.177 4.116 2.239 1.00 0.00 H new ATOM 0 HH TYR A 9 11.959 3.157 1.288 1.00 0.00 H new ATOM 146 N THR A 10 5.401 2.017 6.581 1.00 0.00 N ATOM 147 CA THR A 10 4.167 2.216 7.390 1.00 0.00 C ATOM 148 C THR A 10 3.574 3.568 7.010 1.00 0.00 C ATOM 149 O THR A 10 4.262 4.569 7.006 1.00 0.00 O ATOM 150 CB THR A 10 4.512 2.202 8.881 1.00 0.00 C ATOM 151 OG1 THR A 10 5.230 1.014 9.188 1.00 0.00 O ATOM 152 CG2 THR A 10 3.223 2.247 9.704 1.00 0.00 C ATOM 0 H THR A 10 5.745 2.857 6.115 1.00 0.00 H new ATOM 0 HA THR A 10 3.452 1.417 7.195 1.00 0.00 H new ATOM 0 HB THR A 10 5.125 3.071 9.121 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.020 0.324 8.524 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.469 2.237 10.766 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.672 3.157 9.468 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.609 1.379 9.466 1.00 0.00 H new ATOM 160 N GLY A 11 2.319 3.619 6.663 1.00 0.00 N ATOM 161 CA GLY A 11 1.747 4.934 6.262 1.00 0.00 C ATOM 162 C GLY A 11 0.262 5.020 6.606 1.00 0.00 C ATOM 163 O GLY A 11 -0.313 4.115 7.173 1.00 0.00 O ATOM 0 H GLY A 11 1.677 2.827 6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.286 5.736 6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.884 5.081 5.191 1.00 0.00 H new ATOM 167 N LYS A 12 -0.356 6.118 6.258 1.00 0.00 N ATOM 168 CA LYS A 12 -1.803 6.300 6.546 1.00 0.00 C ATOM 169 C LYS A 12 -2.592 6.116 5.253 1.00 0.00 C ATOM 170 O LYS A 12 -2.035 6.087 4.174 1.00 0.00 O ATOM 171 CB LYS A 12 -2.049 7.713 7.084 1.00 0.00 C ATOM 172 CG LYS A 12 -0.919 8.104 8.041 1.00 0.00 C ATOM 173 CD LYS A 12 -0.889 9.626 8.204 1.00 0.00 C ATOM 174 CE LYS A 12 -1.969 10.054 9.198 1.00 0.00 C ATOM 175 NZ LYS A 12 -1.536 11.296 9.899 1.00 0.00 N ATOM 0 H LYS A 12 0.088 6.903 5.781 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.121 5.569 7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.102 8.423 6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.008 7.754 7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.068 7.627 9.010 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.037 7.750 7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.092 9.945 8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.054 10.109 7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.910 10.228 8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.148 9.259 9.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.271 11.587 10.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.648 11.115 10.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.387 12.054 9.202 1.00 0.00 H new ATOM 189 N VAL A 13 -3.883 6.007 5.346 1.00 0.00 N ATOM 190 CA VAL A 13 -4.696 5.838 4.114 1.00 0.00 C ATOM 191 C VAL A 13 -5.047 7.222 3.574 1.00 0.00 C ATOM 192 O VAL A 13 -5.923 7.893 4.079 1.00 0.00 O ATOM 193 CB VAL A 13 -5.978 5.078 4.455 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.891 5.032 3.232 1.00 0.00 C ATOM 195 CG2 VAL A 13 -5.626 3.653 4.889 1.00 0.00 C ATOM 0 H VAL A 13 -4.411 6.027 6.219 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.137 5.277 3.365 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.495 5.588 5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.803 4.489 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.144 6.048 2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.378 4.526 2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.540 3.111 5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.107 3.143 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.981 3.689 5.767 1.00 0.00 H new ATOM 205 N THR A 14 -4.351 7.666 2.564 1.00 0.00 N ATOM 206 CA THR A 14 -4.631 9.019 2.013 1.00 0.00 C ATOM 207 C THR A 14 -5.250 8.906 0.616 1.00 0.00 C ATOM 208 O THR A 14 -5.376 9.887 -0.091 1.00 0.00 O ATOM 209 CB THR A 14 -3.324 9.816 1.935 1.00 0.00 C ATOM 210 OG1 THR A 14 -2.717 9.609 0.667 1.00 0.00 O ATOM 211 CG2 THR A 14 -2.371 9.357 3.040 1.00 0.00 C ATOM 0 H THR A 14 -3.603 7.152 2.099 1.00 0.00 H new ATOM 0 HA THR A 14 -5.335 9.532 2.668 1.00 0.00 H new ATOM 0 HB THR A 14 -3.541 10.876 2.066 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.973 10.237 0.554 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.443 9.926 2.980 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.835 9.521 4.012 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.154 8.296 2.916 1.00 0.00 H new ATOM 219 N ARG A 15 -5.645 7.727 0.208 1.00 0.00 N ATOM 220 CA ARG A 15 -6.259 7.578 -1.147 1.00 0.00 C ATOM 221 C ARG A 15 -6.746 6.138 -1.354 1.00 0.00 C ATOM 222 O ARG A 15 -6.155 5.195 -0.868 1.00 0.00 O ATOM 223 CB ARG A 15 -5.220 7.918 -2.222 1.00 0.00 C ATOM 224 CG ARG A 15 -5.341 9.394 -2.605 1.00 0.00 C ATOM 225 CD ARG A 15 -4.028 10.113 -2.289 1.00 0.00 C ATOM 226 NE ARG A 15 -3.206 10.208 -3.527 1.00 0.00 N ATOM 227 CZ ARG A 15 -3.608 10.952 -4.522 1.00 0.00 C ATOM 228 NH1 ARG A 15 -4.213 12.083 -4.286 1.00 0.00 N ATOM 229 NH2 ARG A 15 -3.409 10.563 -5.752 1.00 0.00 N ATOM 0 H ARG A 15 -5.570 6.866 0.750 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.108 8.258 -1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.217 7.709 -1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.372 7.290 -3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.573 9.487 -3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.162 9.857 -2.057 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.231 11.110 -1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.481 9.572 -1.517 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.329 9.692 -3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.372 12.386 -3.325 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.527 12.665 -5.062 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.939 9.677 -5.937 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.724 11.145 -6.528 1.00 0.00 H new ATOM 243 N ILE A 16 -7.814 5.970 -2.090 1.00 0.00 N ATOM 244 CA ILE A 16 -8.346 4.601 -2.361 1.00 0.00 C ATOM 245 C ILE A 16 -8.786 4.542 -3.826 1.00 0.00 C ATOM 246 O ILE A 16 -9.144 5.546 -4.409 1.00 0.00 O ATOM 247 CB ILE A 16 -9.542 4.315 -1.447 1.00 0.00 C ATOM 248 CG1 ILE A 16 -9.114 4.479 0.013 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.031 2.880 -1.673 1.00 0.00 C ATOM 250 CD1 ILE A 16 -10.221 3.962 0.933 1.00 0.00 C ATOM 0 H ILE A 16 -8.344 6.729 -2.518 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.577 3.854 -2.167 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.347 5.013 -1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.190 3.931 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.910 5.528 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.882 2.679 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.333 2.758 -2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.226 2.181 -1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.915 4.079 1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.135 4.530 0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.404 2.908 0.726 1.00 0.00 H new ATOM 262 N VAL A 17 -8.750 3.388 -4.441 1.00 0.00 N ATOM 263 CA VAL A 17 -9.155 3.313 -5.874 1.00 0.00 C ATOM 264 C VAL A 17 -10.182 2.183 -6.075 1.00 0.00 C ATOM 265 O VAL A 17 -10.211 1.218 -5.341 1.00 0.00 O ATOM 266 CB VAL A 17 -7.903 3.070 -6.750 1.00 0.00 C ATOM 267 CG1 VAL A 17 -6.643 3.497 -6.005 1.00 0.00 C ATOM 268 CG2 VAL A 17 -7.766 1.593 -7.085 1.00 0.00 C ATOM 0 H VAL A 17 -8.461 2.506 -4.019 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.619 4.254 -6.170 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.020 3.654 -7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.771 3.320 -6.634 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.706 4.558 -5.762 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.550 2.919 -5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.880 1.440 -7.702 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.670 1.018 -6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.649 1.260 -7.630 1.00 0.00 H new ATOM 278 N ASP A 18 -11.009 2.286 -7.077 1.00 0.00 N ATOM 279 CA ASP A 18 -12.008 1.208 -7.322 1.00 0.00 C ATOM 280 C ASP A 18 -11.276 -0.120 -7.550 1.00 0.00 C ATOM 281 O ASP A 18 -11.684 -1.157 -7.065 1.00 0.00 O ATOM 282 CB ASP A 18 -12.836 1.551 -8.563 1.00 0.00 C ATOM 283 CG ASP A 18 -13.787 2.705 -8.241 1.00 0.00 C ATOM 284 OD1 ASP A 18 -13.343 3.658 -7.624 1.00 0.00 O ATOM 285 OD2 ASP A 18 -14.944 2.616 -8.620 1.00 0.00 O ATOM 0 H ASP A 18 -11.037 3.066 -7.734 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.667 1.119 -6.459 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.178 1.827 -9.387 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.403 0.678 -8.887 1.00 0.00 H new ATOM 290 N PHE A 19 -10.200 -0.094 -8.291 1.00 0.00 N ATOM 291 CA PHE A 19 -9.437 -1.349 -8.563 1.00 0.00 C ATOM 292 C PHE A 19 -8.345 -1.544 -7.507 1.00 0.00 C ATOM 293 O PHE A 19 -7.331 -2.158 -7.773 1.00 0.00 O ATOM 294 CB PHE A 19 -8.768 -1.242 -9.936 1.00 0.00 C ATOM 295 CG PHE A 19 -8.057 0.084 -10.025 1.00 0.00 C ATOM 296 CD1 PHE A 19 -6.835 0.265 -9.363 1.00 0.00 C ATOM 297 CD2 PHE A 19 -8.624 1.138 -10.749 1.00 0.00 C ATOM 298 CE1 PHE A 19 -6.184 1.504 -9.425 1.00 0.00 C ATOM 299 CE2 PHE A 19 -7.973 2.375 -10.808 1.00 0.00 C ATOM 300 CZ PHE A 19 -6.754 2.557 -10.144 1.00 0.00 C ATOM 0 H PHE A 19 -9.814 0.746 -8.722 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.126 -2.193 -8.536 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.061 -2.060 -10.077 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.513 -1.325 -10.727 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.396 -0.549 -8.806 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.564 0.997 -11.262 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.241 1.645 -8.917 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.411 3.190 -11.366 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.254 3.513 -10.188 1.00 0.00 H new ATOM 310 N GLY A 20 -8.519 -1.028 -6.320 1.00 0.00 N ATOM 311 CA GLY A 20 -7.451 -1.204 -5.294 1.00 0.00 C ATOM 312 C GLY A 20 -7.508 -0.089 -4.242 1.00 0.00 C ATOM 313 O GLY A 20 -8.537 0.499 -3.987 1.00 0.00 O ATOM 0 H GLY A 20 -9.339 -0.501 -6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.565 -2.173 -4.808 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.474 -1.203 -5.777 1.00 0.00 H new ATOM 317 N ALA A 21 -6.393 0.206 -3.628 1.00 0.00 N ATOM 318 CA ALA A 21 -6.363 1.276 -2.596 1.00 0.00 C ATOM 319 C ALA A 21 -4.980 1.914 -2.583 1.00 0.00 C ATOM 320 O ALA A 21 -3.986 1.258 -2.797 1.00 0.00 O ATOM 321 CB ALA A 21 -6.642 0.678 -1.217 1.00 0.00 C ATOM 0 H ALA A 21 -5.498 -0.252 -3.800 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.123 2.022 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.618 1.468 -0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.625 0.207 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.882 -0.068 -0.983 1.00 0.00 H new ATOM 327 N PHE A 22 -4.911 3.190 -2.344 1.00 0.00 N ATOM 328 CA PHE A 22 -3.598 3.886 -2.315 1.00 0.00 C ATOM 329 C PHE A 22 -3.257 4.259 -0.869 1.00 0.00 C ATOM 330 O PHE A 22 -4.113 4.284 -0.008 1.00 0.00 O ATOM 331 CB PHE A 22 -3.692 5.157 -3.158 1.00 0.00 C ATOM 332 CG PHE A 22 -3.689 4.806 -4.629 1.00 0.00 C ATOM 333 CD1 PHE A 22 -3.685 3.466 -5.042 1.00 0.00 C ATOM 334 CD2 PHE A 22 -3.677 5.828 -5.581 1.00 0.00 C ATOM 335 CE1 PHE A 22 -3.670 3.150 -6.402 1.00 0.00 C ATOM 336 CE2 PHE A 22 -3.659 5.514 -6.945 1.00 0.00 C ATOM 337 CZ PHE A 22 -3.655 4.174 -7.355 1.00 0.00 C ATOM 0 H PHE A 22 -5.718 3.788 -2.165 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.822 3.234 -2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.602 5.702 -2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.854 5.816 -2.932 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.694 2.676 -4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.682 6.861 -5.265 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.670 2.117 -6.718 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.648 6.304 -7.681 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.640 3.932 -8.407 1.00 0.00 H new ATOM 347 N VAL A 23 -2.013 4.547 -0.594 1.00 0.00 N ATOM 348 CA VAL A 23 -1.625 4.915 0.798 1.00 0.00 C ATOM 349 C VAL A 23 -0.421 5.866 0.758 1.00 0.00 C ATOM 350 O VAL A 23 0.221 6.025 -0.261 1.00 0.00 O ATOM 351 CB VAL A 23 -1.279 3.632 1.572 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.353 3.949 2.752 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.570 3.008 2.105 1.00 0.00 C ATOM 0 H VAL A 23 -1.250 4.543 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.449 5.422 1.300 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.771 2.940 0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.119 3.029 3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.569 4.397 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.849 4.646 3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.334 2.097 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.068 3.714 2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.229 2.767 1.271 1.00 0.00 H new ATOM 363 N ALA A 24 -0.110 6.498 1.861 1.00 0.00 N ATOM 364 CA ALA A 24 1.053 7.435 1.889 1.00 0.00 C ATOM 365 C ALA A 24 1.903 7.133 3.129 1.00 0.00 C ATOM 366 O ALA A 24 1.377 6.776 4.162 1.00 0.00 O ATOM 367 CB ALA A 24 0.541 8.876 1.953 1.00 0.00 C ATOM 0 H ALA A 24 -0.612 6.405 2.744 1.00 0.00 H new ATOM 0 HA ALA A 24 1.657 7.308 0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.388 9.562 1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.073 9.083 1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.057 9.010 2.855 1.00 0.00 H new ATOM 373 N ILE A 25 3.208 7.268 3.056 1.00 0.00 N ATOM 374 CA ILE A 25 4.035 6.969 4.266 1.00 0.00 C ATOM 375 C ILE A 25 4.386 8.274 4.985 1.00 0.00 C ATOM 376 O ILE A 25 4.719 8.277 6.153 1.00 0.00 O ATOM 377 CB ILE A 25 5.325 6.240 3.870 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.929 6.892 2.628 1.00 0.00 C ATOM 379 CG2 ILE A 25 5.025 4.766 3.578 1.00 0.00 C ATOM 380 CD1 ILE A 25 7.313 6.295 2.369 1.00 0.00 C ATOM 0 H ILE A 25 3.725 7.566 2.229 1.00 0.00 H new ATOM 0 HA ILE A 25 3.459 6.326 4.931 1.00 0.00 H new ATOM 0 HB ILE A 25 6.035 6.306 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.282 6.729 1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.006 7.970 2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.946 4.256 3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.607 4.297 4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.308 4.696 2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.749 6.757 1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.956 6.481 3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.222 5.221 2.210 1.00 0.00 H new ATOM 413 N LYS A 29 7.382 9.873 0.571 1.00 0.00 N ATOM 414 CA LYS A 29 6.895 8.921 -0.466 1.00 0.00 C ATOM 415 C LYS A 29 5.520 8.378 -0.063 1.00 0.00 C ATOM 416 O LYS A 29 5.013 8.648 1.013 1.00 0.00 O ATOM 417 CB LYS A 29 7.882 7.758 -0.602 1.00 0.00 C ATOM 418 CG LYS A 29 9.315 8.295 -0.583 1.00 0.00 C ATOM 419 CD LYS A 29 9.674 8.846 -1.965 1.00 0.00 C ATOM 420 CE LYS A 29 10.910 8.119 -2.496 1.00 0.00 C ATOM 421 NZ LYS A 29 12.137 8.758 -1.943 1.00 0.00 N ATOM 0 HA LYS A 29 6.814 9.441 -1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.738 7.049 0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.698 7.218 -1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.411 9.079 0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.008 7.501 -0.305 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.837 8.712 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.867 9.917 -1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.876 7.067 -2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.927 8.156 -3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.978 8.264 -2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.170 9.756 -2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.120 8.701 -0.905 1.00 0.00 H new ATOM 435 N GLU A 30 4.904 7.613 -0.919 1.00 0.00 N ATOM 436 CA GLU A 30 3.567 7.069 -0.573 1.00 0.00 C ATOM 437 C GLU A 30 3.540 5.555 -0.767 1.00 0.00 C ATOM 438 O GLU A 30 4.316 4.996 -1.512 1.00 0.00 O ATOM 439 CB GLU A 30 2.505 7.714 -1.465 1.00 0.00 C ATOM 440 CG GLU A 30 3.026 7.793 -2.901 1.00 0.00 C ATOM 441 CD GLU A 30 2.049 8.606 -3.753 1.00 0.00 C ATOM 442 OE1 GLU A 30 0.878 8.263 -3.768 1.00 0.00 O ATOM 443 OE2 GLU A 30 2.488 9.558 -4.376 1.00 0.00 O ATOM 0 H GLU A 30 5.266 7.344 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 30 3.358 7.295 0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.584 7.131 -1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.264 8.712 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.012 8.257 -2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.139 6.791 -3.314 1.00 0.00 H new ATOM 450 N GLY A 31 2.638 4.895 -0.103 1.00 0.00 N ATOM 451 CA GLY A 31 2.524 3.419 -0.239 1.00 0.00 C ATOM 452 C GLY A 31 1.288 3.108 -1.081 1.00 0.00 C ATOM 453 O GLY A 31 0.635 4.004 -1.580 1.00 0.00 O ATOM 0 H GLY A 31 1.966 5.320 0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.418 3.011 -0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.442 2.953 0.743 1.00 0.00 H new ATOM 457 N LEU A 32 0.951 1.860 -1.256 1.00 0.00 N ATOM 458 CA LEU A 32 -0.249 1.554 -2.079 1.00 0.00 C ATOM 459 C LEU A 32 -0.916 0.254 -1.636 1.00 0.00 C ATOM 460 O LEU A 32 -0.326 -0.807 -1.691 1.00 0.00 O ATOM 461 CB LEU A 32 0.148 1.405 -3.539 1.00 0.00 C ATOM 462 CG LEU A 32 -1.094 1.627 -4.393 1.00 0.00 C ATOM 463 CD1 LEU A 32 -0.947 2.935 -5.150 1.00 0.00 C ATOM 464 CD2 LEU A 32 -1.264 0.476 -5.384 1.00 0.00 C ATOM 0 H LEU A 32 1.444 1.054 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.949 2.379 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.922 2.127 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.563 0.414 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.973 1.668 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.832 3.102 -5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.838 3.756 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.065 2.888 -5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.155 0.645 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.390 0.422 -6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.369 -0.462 -4.838 1.00 0.00 H new ATOM 476 N VAL A 33 -2.161 0.317 -1.253 1.00 0.00 N ATOM 477 CA VAL A 33 -2.879 -0.923 -0.878 1.00 0.00 C ATOM 478 C VAL A 33 -3.656 -1.393 -2.111 1.00 0.00 C ATOM 479 O VAL A 33 -4.873 -1.432 -2.125 1.00 0.00 O ATOM 480 CB VAL A 33 -3.853 -0.648 0.268 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.462 -1.966 0.749 1.00 0.00 C ATOM 482 CG2 VAL A 33 -3.105 0.020 1.422 1.00 0.00 C ATOM 0 H VAL A 33 -2.708 1.175 -1.185 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.172 -1.684 -0.547 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.647 0.012 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.156 -1.769 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.995 -2.442 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.669 -2.627 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.798 0.217 2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.310 -0.640 1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.672 0.960 1.079 1.00 0.00 H new ATOM 492 N HIS A 34 -2.964 -1.725 -3.164 1.00 0.00 N ATOM 493 CA HIS A 34 -3.672 -2.172 -4.391 1.00 0.00 C ATOM 494 C HIS A 34 -4.718 -3.222 -4.005 1.00 0.00 C ATOM 495 O HIS A 34 -4.603 -3.887 -2.994 1.00 0.00 O ATOM 496 CB HIS A 34 -2.669 -2.775 -5.375 1.00 0.00 C ATOM 497 CG HIS A 34 -3.243 -2.732 -6.765 1.00 0.00 C ATOM 498 ND1 HIS A 34 -3.123 -3.795 -7.647 1.00 0.00 N ATOM 499 CD2 HIS A 34 -3.944 -1.762 -7.442 1.00 0.00 C ATOM 500 CE1 HIS A 34 -3.737 -3.444 -8.792 1.00 0.00 C ATOM 501 NE2 HIS A 34 -4.255 -2.214 -8.720 1.00 0.00 N ATOM 0 H HIS A 34 -1.946 -1.706 -3.227 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.163 -1.322 -4.865 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.731 -2.221 -5.340 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.442 -3.804 -5.095 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.212 -0.795 -7.042 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.803 -4.079 -9.663 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.768 -1.714 -9.446 1.00 0.00 H new ATOM 509 N ILE A 35 -5.742 -3.368 -4.796 1.00 0.00 N ATOM 510 CA ILE A 35 -6.809 -4.359 -4.484 1.00 0.00 C ATOM 511 C ILE A 35 -6.188 -5.697 -4.072 1.00 0.00 C ATOM 512 O ILE A 35 -6.528 -6.257 -3.048 1.00 0.00 O ATOM 513 CB ILE A 35 -7.677 -4.560 -5.728 1.00 0.00 C ATOM 514 CG1 ILE A 35 -8.596 -5.767 -5.521 1.00 0.00 C ATOM 515 CG2 ILE A 35 -6.779 -4.808 -6.943 1.00 0.00 C ATOM 516 CD1 ILE A 35 -9.574 -5.474 -4.382 1.00 0.00 C ATOM 0 H ILE A 35 -5.887 -2.838 -5.655 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.416 -3.987 -3.659 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.280 -3.668 -5.896 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.144 -5.982 -6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.004 -6.652 -5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.397 -4.951 -7.829 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.124 -3.950 -7.092 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.176 -5.700 -6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.228 -6.333 -4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.017 -5.280 -3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.174 -4.600 -4.634 1.00 0.00 H new ATOM 528 N SER A 36 -5.297 -6.222 -4.868 1.00 0.00 N ATOM 529 CA SER A 36 -4.667 -7.532 -4.528 1.00 0.00 C ATOM 530 C SER A 36 -3.526 -7.335 -3.523 1.00 0.00 C ATOM 531 O SER A 36 -2.473 -7.928 -3.655 1.00 0.00 O ATOM 532 CB SER A 36 -4.113 -8.177 -5.799 1.00 0.00 C ATOM 533 OG SER A 36 -4.211 -7.256 -6.877 1.00 0.00 O ATOM 0 H SER A 36 -4.977 -5.801 -5.740 1.00 0.00 H new ATOM 0 HA SER A 36 -5.424 -8.178 -4.082 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.074 -8.469 -5.649 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.669 -9.086 -6.031 1.00 0.00 H new ATOM 0 HG SER A 36 -3.855 -7.667 -7.692 1.00 0.00 H new ATOM 539 N GLN A 37 -3.713 -6.517 -2.523 1.00 0.00 N ATOM 540 CA GLN A 37 -2.620 -6.307 -1.531 1.00 0.00 C ATOM 541 C GLN A 37 -3.213 -5.958 -0.163 1.00 0.00 C ATOM 542 O GLN A 37 -2.860 -4.962 0.434 1.00 0.00 O ATOM 543 CB GLN A 37 -1.723 -5.160 -2.002 1.00 0.00 C ATOM 544 CG GLN A 37 -1.266 -5.423 -3.438 1.00 0.00 C ATOM 545 CD GLN A 37 -0.409 -4.252 -3.924 1.00 0.00 C ATOM 546 OE1 GLN A 37 -0.235 -3.278 -3.220 1.00 0.00 O ATOM 547 NE2 GLN A 37 0.138 -4.306 -5.108 1.00 0.00 N ATOM 0 H GLN A 37 -4.568 -5.989 -2.351 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.035 -7.223 -1.444 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.265 -4.216 -1.949 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.858 -5.068 -1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.694 -6.350 -3.485 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.131 -5.549 -4.089 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.007 -5.124 -5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.711 -3.531 -5.441 1.00 0.00 H new ATOM 556 N ILE A 38 -4.112 -6.763 0.344 1.00 0.00 N ATOM 557 CA ILE A 38 -4.707 -6.448 1.676 1.00 0.00 C ATOM 558 C ILE A 38 -4.523 -7.627 2.634 1.00 0.00 C ATOM 559 O ILE A 38 -3.503 -7.768 3.280 1.00 0.00 O ATOM 560 CB ILE A 38 -6.204 -6.144 1.528 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.386 -4.763 0.893 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.860 -6.148 2.913 1.00 0.00 C ATOM 563 CD1 ILE A 38 -5.760 -4.750 -0.501 1.00 0.00 C ATOM 0 H ILE A 38 -4.456 -7.614 -0.101 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.198 -5.574 2.081 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.667 -6.902 0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.446 -4.519 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.921 -4.001 1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.924 -5.932 2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.730 -7.127 3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.393 -5.387 3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.892 -3.765 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.696 -4.975 -0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.245 -5.501 -1.125 1.00 0.00 H new ATOM 575 N ALA A 39 -5.517 -8.458 2.744 1.00 0.00 N ATOM 576 CA ALA A 39 -5.436 -9.617 3.670 1.00 0.00 C ATOM 577 C ALA A 39 -4.972 -10.855 2.905 1.00 0.00 C ATOM 578 O ALA A 39 -4.188 -11.642 3.397 1.00 0.00 O ATOM 579 CB ALA A 39 -6.823 -9.869 4.265 1.00 0.00 C ATOM 0 H ALA A 39 -6.392 -8.383 2.226 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.723 -9.405 4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.778 -10.718 4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.152 -8.984 4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.529 -10.085 3.463 1.00 0.00 H new ATOM 643 N VAL A 43 -10.720 -9.451 0.029 1.00 0.00 N ATOM 644 CA VAL A 43 -11.033 -7.999 0.079 1.00 0.00 C ATOM 645 C VAL A 43 -11.712 -7.586 -1.223 1.00 0.00 C ATOM 646 O VAL A 43 -11.302 -6.646 -1.875 1.00 0.00 O ATOM 647 CB VAL A 43 -9.746 -7.198 0.254 1.00 0.00 C ATOM 648 CG1 VAL A 43 -10.080 -5.708 0.332 1.00 0.00 C ATOM 649 CG2 VAL A 43 -9.059 -7.628 1.544 1.00 0.00 C ATOM 0 HA VAL A 43 -11.697 -7.801 0.921 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.085 -7.379 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.161 -5.135 0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.579 -5.398 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.739 -5.527 1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.139 -7.058 1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.722 -7.443 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.824 -8.691 1.494 1.00 0.00 H new ATOM 659 N GLU A 44 -12.754 -8.273 -1.607 1.00 0.00 N ATOM 660 CA GLU A 44 -13.459 -7.906 -2.867 1.00 0.00 C ATOM 661 C GLU A 44 -13.639 -6.389 -2.905 1.00 0.00 C ATOM 662 O GLU A 44 -13.754 -5.791 -3.956 1.00 0.00 O ATOM 663 CB GLU A 44 -14.830 -8.584 -2.904 1.00 0.00 C ATOM 664 CG GLU A 44 -14.783 -9.785 -3.853 1.00 0.00 C ATOM 665 CD GLU A 44 -14.956 -9.306 -5.295 1.00 0.00 C ATOM 666 OE1 GLU A 44 -16.064 -8.935 -5.646 1.00 0.00 O ATOM 667 OE2 GLU A 44 -13.979 -9.320 -6.026 1.00 0.00 O ATOM 0 H GLU A 44 -13.146 -9.069 -1.104 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.875 -8.233 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.113 -8.909 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -15.589 -7.875 -3.235 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.834 -10.310 -3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.570 -10.494 -3.598 1.00 0.00 H new ATOM 674 N LYS A 45 -13.658 -5.765 -1.759 1.00 0.00 N ATOM 675 CA LYS A 45 -13.823 -4.286 -1.715 1.00 0.00 C ATOM 676 C LYS A 45 -12.596 -3.663 -1.041 1.00 0.00 C ATOM 677 O LYS A 45 -12.268 -3.980 0.083 1.00 0.00 O ATOM 678 CB LYS A 45 -15.079 -3.934 -0.917 1.00 0.00 C ATOM 679 CG LYS A 45 -16.322 -4.293 -1.734 1.00 0.00 C ATOM 680 CD LYS A 45 -16.219 -3.661 -3.124 1.00 0.00 C ATOM 681 CE LYS A 45 -17.590 -3.692 -3.805 1.00 0.00 C ATOM 682 NZ LYS A 45 -18.434 -2.585 -3.273 1.00 0.00 N ATOM 0 H LYS A 45 -13.566 -6.218 -0.850 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.921 -3.898 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.085 -4.475 0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.084 -2.871 -0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.413 -5.376 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.219 -3.938 -1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.866 -2.633 -3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.490 -4.202 -3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.474 -3.589 -4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.075 -4.652 -3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.416 -2.912 -3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.075 -2.291 -2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.400 -1.777 -3.927 1.00 0.00 H new ATOM 696 N VAL A 46 -11.922 -2.774 -1.718 1.00 0.00 N ATOM 697 CA VAL A 46 -10.716 -2.131 -1.103 1.00 0.00 C ATOM 698 C VAL A 46 -11.176 -1.042 -0.139 1.00 0.00 C ATOM 699 O VAL A 46 -10.482 -0.686 0.794 1.00 0.00 O ATOM 700 CB VAL A 46 -9.799 -1.507 -2.172 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.416 -2.162 -2.097 1.00 0.00 C ATOM 702 CG2 VAL A 46 -10.374 -1.713 -3.578 1.00 0.00 C ATOM 0 H VAL A 46 -12.148 -2.464 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.148 -2.898 -0.578 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.724 -0.437 -1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.764 -1.723 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.988 -1.997 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.510 -3.233 -2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.707 -1.263 -4.313 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.469 -2.780 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.355 -1.243 -3.642 1.00 0.00 H new ATOM 712 N THR A 47 -12.349 -0.518 -0.352 1.00 0.00 N ATOM 713 CA THR A 47 -12.868 0.543 0.555 1.00 0.00 C ATOM 714 C THR A 47 -13.338 -0.086 1.871 1.00 0.00 C ATOM 715 O THR A 47 -13.873 0.585 2.732 1.00 0.00 O ATOM 716 CB THR A 47 -14.044 1.256 -0.118 1.00 0.00 C ATOM 717 OG1 THR A 47 -15.091 0.323 -0.349 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.587 1.854 -1.449 1.00 0.00 C ATOM 0 H THR A 47 -12.972 -0.779 -1.116 1.00 0.00 H new ATOM 0 HA THR A 47 -12.075 1.261 0.762 1.00 0.00 H new ATOM 0 HB THR A 47 -14.405 2.055 0.530 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.846 0.778 -0.778 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.425 2.361 -1.927 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.784 2.569 -1.270 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.225 1.058 -2.100 1.00 0.00 H new ATOM 726 N ASP A 48 -13.143 -1.370 2.037 1.00 0.00 N ATOM 727 CA ASP A 48 -13.578 -2.033 3.299 1.00 0.00 C ATOM 728 C ASP A 48 -12.358 -2.270 4.188 1.00 0.00 C ATOM 729 O ASP A 48 -12.417 -2.128 5.393 1.00 0.00 O ATOM 730 CB ASP A 48 -14.240 -3.375 2.973 1.00 0.00 C ATOM 731 CG ASP A 48 -15.499 -3.133 2.140 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.689 -2.011 1.700 1.00 0.00 O ATOM 733 OD2 ASP A 48 -16.254 -4.074 1.957 1.00 0.00 O ATOM 0 H ASP A 48 -12.702 -1.985 1.353 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.293 -1.395 3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.545 -4.012 2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.495 -3.900 3.894 1.00 0.00 H new ATOM 738 N TYR A 49 -11.249 -2.624 3.600 1.00 0.00 N ATOM 739 CA TYR A 49 -10.023 -2.863 4.407 1.00 0.00 C ATOM 740 C TYR A 49 -9.252 -1.552 4.545 1.00 0.00 C ATOM 741 O TYR A 49 -8.619 -1.292 5.549 1.00 0.00 O ATOM 742 CB TYR A 49 -9.136 -3.886 3.704 1.00 0.00 C ATOM 743 CG TYR A 49 -9.810 -5.236 3.717 1.00 0.00 C ATOM 744 CD1 TYR A 49 -11.016 -5.417 3.031 1.00 0.00 C ATOM 745 CD2 TYR A 49 -9.231 -6.309 4.411 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.645 -6.665 3.038 1.00 0.00 C ATOM 747 CE2 TYR A 49 -9.861 -7.557 4.416 1.00 0.00 C ATOM 748 CZ TYR A 49 -11.070 -7.736 3.732 1.00 0.00 C ATOM 749 OH TYR A 49 -11.691 -8.969 3.738 1.00 0.00 O ATOM 0 H TYR A 49 -11.140 -2.758 2.595 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.305 -3.239 5.391 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.946 -3.573 2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.169 -3.947 4.202 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.461 -4.591 2.496 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.300 -6.171 4.941 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.576 -6.803 2.507 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.415 -8.384 4.948 1.00 0.00 H new ATOM 0 HH TYR A 49 -11.159 -9.601 4.265 1.00 0.00 H new ATOM 759 N LEU A 50 -9.300 -0.724 3.538 1.00 0.00 N ATOM 760 CA LEU A 50 -8.566 0.572 3.605 1.00 0.00 C ATOM 761 C LEU A 50 -9.536 1.686 3.990 1.00 0.00 C ATOM 762 O LEU A 50 -10.636 1.777 3.482 1.00 0.00 O ATOM 763 CB LEU A 50 -7.941 0.877 2.232 1.00 0.00 C ATOM 764 CG LEU A 50 -6.435 0.532 2.193 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.617 1.815 2.338 1.00 0.00 C ATOM 766 CD2 LEU A 50 -6.050 -0.437 3.320 1.00 0.00 C ATOM 0 H LEU A 50 -9.815 -0.888 2.673 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.777 0.508 4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.463 0.310 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.077 1.933 1.998 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.224 0.050 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.554 1.574 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.856 2.494 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.856 2.294 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.984 -0.658 3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.274 0.019 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.618 -1.361 3.215 1.00 0.00 H new ATOM 778 N GLN A 51 -9.129 2.534 4.891 1.00 0.00 N ATOM 779 CA GLN A 51 -10.018 3.648 5.324 1.00 0.00 C ATOM 780 C GLN A 51 -9.197 4.930 5.477 1.00 0.00 C ATOM 781 O GLN A 51 -8.243 4.981 6.226 1.00 0.00 O ATOM 782 CB GLN A 51 -10.664 3.292 6.665 1.00 0.00 C ATOM 783 CG GLN A 51 -12.118 2.872 6.437 1.00 0.00 C ATOM 784 CD GLN A 51 -12.333 1.463 6.993 1.00 0.00 C ATOM 785 OE1 GLN A 51 -11.553 0.988 7.795 1.00 0.00 O ATOM 786 NE2 GLN A 51 -13.366 0.769 6.598 1.00 0.00 N ATOM 0 H GLN A 51 -8.217 2.504 5.348 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.795 3.804 4.575 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.112 2.483 7.143 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -10.623 4.148 7.339 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.792 3.575 6.927 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.352 2.895 5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.021 1.167 5.925 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.518 -0.171 6.962 1.00 0.00 H new ATOM 795 N MET A 52 -9.562 5.965 4.773 1.00 0.00 N ATOM 796 CA MET A 52 -8.805 7.245 4.873 1.00 0.00 C ATOM 797 C MET A 52 -8.596 7.614 6.342 1.00 0.00 C ATOM 798 O MET A 52 -9.504 8.052 7.018 1.00 0.00 O ATOM 799 CB MET A 52 -9.597 8.353 4.177 1.00 0.00 C ATOM 800 CG MET A 52 -10.920 8.576 4.912 1.00 0.00 C ATOM 801 SD MET A 52 -12.219 8.949 3.709 1.00 0.00 S ATOM 802 CE MET A 52 -11.540 10.520 3.122 1.00 0.00 C ATOM 0 H MET A 52 -10.354 5.980 4.131 1.00 0.00 H new ATOM 0 HA MET A 52 -7.833 7.128 4.394 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.017 9.276 4.164 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.787 8.081 3.139 1.00 0.00 H new ATOM 0 HG2 MET A 52 -11.184 7.688 5.486 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.820 9.397 5.623 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.316 11.078 2.598 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.184 11.103 3.972 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.710 10.326 2.442 1.00 0.00 H new ATOM 812 N GLY A 53 -7.399 7.452 6.840 1.00 0.00 N ATOM 813 CA GLY A 53 -7.133 7.809 8.264 1.00 0.00 C ATOM 814 C GLY A 53 -6.338 6.698 8.955 1.00 0.00 C ATOM 815 O GLY A 53 -5.408 6.958 9.693 1.00 0.00 O ATOM 0 H GLY A 53 -6.597 7.089 6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.578 8.746 8.313 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.076 7.969 8.787 1.00 0.00 H new ATOM 819 N GLN A 54 -6.697 5.462 8.735 1.00 0.00 N ATOM 820 CA GLN A 54 -5.962 4.344 9.396 1.00 0.00 C ATOM 821 C GLN A 54 -4.551 4.225 8.814 1.00 0.00 C ATOM 822 O GLN A 54 -4.329 4.465 7.645 1.00 0.00 O ATOM 823 CB GLN A 54 -6.717 3.033 9.165 1.00 0.00 C ATOM 824 CG GLN A 54 -8.175 3.200 9.597 1.00 0.00 C ATOM 825 CD GLN A 54 -8.786 1.825 9.873 1.00 0.00 C ATOM 826 OE1 GLN A 54 -9.289 1.576 10.951 1.00 0.00 O ATOM 827 NE2 GLN A 54 -8.763 0.916 8.937 1.00 0.00 N ATOM 0 H GLN A 54 -7.466 5.178 8.128 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.892 4.547 10.465 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.668 2.754 8.113 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.249 2.227 9.731 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.232 3.821 10.491 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.740 3.711 8.818 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.341 1.126 8.033 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.167 -0.004 9.110 1.00 0.00 H new ATOM 836 N GLU A 55 -3.598 3.847 9.623 1.00 0.00 N ATOM 837 CA GLU A 55 -2.203 3.701 9.117 1.00 0.00 C ATOM 838 C GLU A 55 -1.724 2.273 9.375 1.00 0.00 C ATOM 839 O GLU A 55 -2.000 1.695 10.407 1.00 0.00 O ATOM 840 CB GLU A 55 -1.269 4.685 9.835 1.00 0.00 C ATOM 841 CG GLU A 55 -2.078 5.847 10.420 1.00 0.00 C ATOM 842 CD GLU A 55 -2.706 5.412 11.744 1.00 0.00 C ATOM 843 OE1 GLU A 55 -2.108 4.588 12.419 1.00 0.00 O ATOM 844 OE2 GLU A 55 -3.775 5.907 12.063 1.00 0.00 O ATOM 0 H GLU A 55 -3.725 3.633 10.612 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.188 3.915 8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.729 4.171 10.630 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.523 5.066 9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.433 6.711 10.577 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.855 6.153 9.719 1.00 0.00 H new ATOM 851 N VAL A 56 -1.015 1.694 8.446 1.00 0.00 N ATOM 852 CA VAL A 56 -0.534 0.301 8.648 1.00 0.00 C ATOM 853 C VAL A 56 0.830 0.112 7.971 1.00 0.00 C ATOM 854 O VAL A 56 1.172 0.826 7.044 1.00 0.00 O ATOM 855 CB VAL A 56 -1.543 -0.675 8.042 1.00 0.00 C ATOM 856 CG1 VAL A 56 -2.853 -0.612 8.833 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.810 -0.292 6.585 1.00 0.00 C ATOM 0 H VAL A 56 -0.749 2.124 7.560 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.430 0.109 9.716 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.140 -1.687 8.085 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.573 -1.308 8.401 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.664 -0.883 9.872 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.256 0.400 8.790 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.529 -0.987 6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.213 0.720 6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.878 -0.336 6.021 1.00 0.00 H new ATOM 867 N PRO A 57 1.566 -0.856 8.469 1.00 0.00 N ATOM 868 CA PRO A 57 2.903 -1.201 7.951 1.00 0.00 C ATOM 869 C PRO A 57 2.783 -2.128 6.733 1.00 0.00 C ATOM 870 O PRO A 57 1.888 -2.947 6.652 1.00 0.00 O ATOM 871 CB PRO A 57 3.553 -1.945 9.119 1.00 0.00 C ATOM 872 CG PRO A 57 2.394 -2.489 9.993 1.00 0.00 C ATOM 873 CD PRO A 57 1.136 -1.684 9.615 1.00 0.00 C ATOM 0 HA PRO A 57 3.472 -0.331 7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.182 -2.759 8.759 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.194 -1.278 9.696 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.241 -3.553 9.813 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.622 -2.375 11.053 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.310 -2.341 9.344 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.793 -1.067 10.446 1.00 0.00 H new ATOM 881 N VAL A 58 3.683 -2.015 5.794 1.00 0.00 N ATOM 882 CA VAL A 58 3.623 -2.900 4.595 1.00 0.00 C ATOM 883 C VAL A 58 5.046 -3.311 4.197 1.00 0.00 C ATOM 884 O VAL A 58 5.991 -3.099 4.931 1.00 0.00 O ATOM 885 CB VAL A 58 2.938 -2.156 3.438 1.00 0.00 C ATOM 886 CG1 VAL A 58 1.857 -1.232 4.000 1.00 0.00 C ATOM 887 CG2 VAL A 58 3.962 -1.319 2.663 1.00 0.00 C ATOM 0 H VAL A 58 4.456 -1.350 5.805 1.00 0.00 H new ATOM 0 HA VAL A 58 3.045 -3.795 4.826 1.00 0.00 H new ATOM 0 HB VAL A 58 2.492 -2.887 2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.369 -0.703 3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.118 -1.823 4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.312 -0.510 4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.462 -0.798 1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.419 -0.591 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.734 -1.973 2.257 1.00 0.00 H new ATOM 897 N LYS A 59 5.201 -3.895 3.043 1.00 0.00 N ATOM 898 CA LYS A 59 6.560 -4.318 2.599 1.00 0.00 C ATOM 899 C LYS A 59 6.782 -3.902 1.142 1.00 0.00 C ATOM 900 O LYS A 59 5.934 -4.101 0.294 1.00 0.00 O ATOM 901 CB LYS A 59 6.682 -5.839 2.717 1.00 0.00 C ATOM 902 CG LYS A 59 7.282 -6.202 4.077 1.00 0.00 C ATOM 903 CD LYS A 59 6.990 -7.672 4.390 1.00 0.00 C ATOM 904 CE LYS A 59 5.697 -7.774 5.201 1.00 0.00 C ATOM 905 NZ LYS A 59 5.303 -9.207 5.335 1.00 0.00 N ATOM 0 H LYS A 59 4.447 -4.098 2.387 1.00 0.00 H new ATOM 0 HA LYS A 59 7.310 -3.839 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.702 -6.302 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.311 -6.227 1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.358 -6.028 4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.861 -5.564 4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.897 -8.240 3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.818 -8.107 4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.838 -7.331 6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.902 -7.212 4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.424 -9.275 5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.152 -9.615 4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.058 -9.731 5.822 1.00 0.00 H new ATOM 919 N VAL A 60 7.920 -3.332 0.846 1.00 0.00 N ATOM 920 CA VAL A 60 8.210 -2.907 -0.556 1.00 0.00 C ATOM 921 C VAL A 60 8.247 -4.137 -1.455 1.00 0.00 C ATOM 922 O VAL A 60 9.287 -4.718 -1.691 1.00 0.00 O ATOM 923 CB VAL A 60 9.567 -2.202 -0.604 1.00 0.00 C ATOM 924 CG1 VAL A 60 10.004 -2.027 -2.059 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.449 -0.828 0.060 1.00 0.00 C ATOM 0 H VAL A 60 8.664 -3.142 1.517 1.00 0.00 H new ATOM 0 HA VAL A 60 7.433 -2.224 -0.900 1.00 0.00 H new ATOM 0 HB VAL A 60 10.306 -2.803 -0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.971 -1.525 -2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.087 -3.005 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.266 -1.427 -2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.415 -0.324 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.709 -0.230 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.139 -0.951 1.098 1.00 0.00 H new ATOM 1112 N LEU A 71 3.809 -1.750 -2.918 1.00 0.00 N ATOM 1113 CA LEU A 71 3.913 -2.104 -1.478 1.00 0.00 C ATOM 1114 C LEU A 71 3.005 -3.294 -1.176 1.00 0.00 C ATOM 1115 O LEU A 71 2.129 -3.635 -1.946 1.00 0.00 O ATOM 1116 CB LEU A 71 3.485 -0.908 -0.623 1.00 0.00 C ATOM 1117 CG LEU A 71 4.524 0.215 -0.734 1.00 0.00 C ATOM 1118 CD1 LEU A 71 4.320 1.204 0.414 1.00 0.00 C ATOM 1119 CD2 LEU A 71 5.937 -0.368 -0.646 1.00 0.00 C ATOM 0 HA LEU A 71 4.945 -2.366 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.510 -0.546 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.378 -1.214 0.418 1.00 0.00 H new ATOM 0 HG LEU A 71 4.402 0.722 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.056 2.004 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.317 1.627 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.441 0.687 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.668 0.436 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.061 -0.878 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.089 -1.078 -1.459 1.00 0.00 H new ATOM 1131 N SER A 72 3.216 -3.933 -0.061 1.00 0.00 N ATOM 1132 CA SER A 72 2.377 -5.107 0.297 1.00 0.00 C ATOM 1133 C SER A 72 1.921 -4.991 1.752 1.00 0.00 C ATOM 1134 O SER A 72 2.696 -5.161 2.672 1.00 0.00 O ATOM 1135 CB SER A 72 3.198 -6.378 0.121 1.00 0.00 C ATOM 1136 OG SER A 72 2.620 -7.172 -0.905 1.00 0.00 O ATOM 0 H SER A 72 3.936 -3.691 0.620 1.00 0.00 H new ATOM 0 HA SER A 72 1.501 -5.141 -0.351 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.228 -6.127 -0.134 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.228 -6.937 1.056 1.00 0.00 H new ATOM 0 HG SER A 72 3.147 -7.990 -1.022 1.00 0.00 H new ATOM 1142 N ILE A 73 0.666 -4.704 1.968 1.00 0.00 N ATOM 1143 CA ILE A 73 0.161 -4.584 3.364 1.00 0.00 C ATOM 1144 C ILE A 73 0.706 -5.758 4.189 1.00 0.00 C ATOM 1145 O ILE A 73 0.779 -6.876 3.719 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.384 -4.574 3.338 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.885 -3.248 3.917 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -1.972 -5.734 4.157 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.397 -3.323 4.139 1.00 0.00 C ATOM 0 H ILE A 73 -0.030 -4.548 1.239 1.00 0.00 H new ATOM 0 HA ILE A 73 0.499 -3.656 3.825 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.707 -4.691 2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.379 -3.037 4.859 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.647 -2.430 3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.060 -5.694 4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.628 -6.682 3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.645 -5.650 5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.752 -2.378 4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.895 -3.514 3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.623 -4.130 4.836 1.00 0.00 H new ATOM 1161 N LYS A 74 1.088 -5.514 5.412 1.00 0.00 N ATOM 1162 CA LYS A 74 1.625 -6.619 6.258 1.00 0.00 C ATOM 1163 C LYS A 74 0.660 -7.803 6.220 1.00 0.00 C ATOM 1164 O LYS A 74 -0.439 -7.703 5.711 1.00 0.00 O ATOM 1165 CB LYS A 74 1.783 -6.130 7.699 1.00 0.00 C ATOM 1166 CG LYS A 74 3.123 -6.614 8.258 1.00 0.00 C ATOM 1167 CD LYS A 74 3.970 -5.410 8.669 1.00 0.00 C ATOM 1168 CE LYS A 74 4.362 -5.540 10.142 1.00 0.00 C ATOM 1169 NZ LYS A 74 5.472 -4.594 10.447 1.00 0.00 N ATOM 0 H LYS A 74 1.052 -4.600 5.862 1.00 0.00 H new ATOM 0 HA LYS A 74 2.597 -6.931 5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.735 -5.042 7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.964 -6.504 8.313 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.957 -7.265 9.116 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.650 -7.204 7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.864 -5.352 8.048 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.411 -4.488 8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.503 -5.326 10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.672 -6.562 10.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.344 -5.130 10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.621 -3.960 9.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.227 -4.031 11.286 1.00 0.00 H new