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 34 HIS : no HD1:sc= -0.827 X(o=-0.9,f=-1.3) USER MOD Set 1.2: A 36 SER OG : rot 180:sc= -0.0703 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0461 USER MOD Single : A 12 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0205) USER MOD Single : A 14 THR OG1 : rot -100:sc= -2.92! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0.018) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0404 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.641 K(o=-0.64,f=-0.091) USER MOD Single : A 52 MET CE :methyl -143:sc=-0.00791 (180deg=-1.95!) USER MOD Single : A 54 GLN : amide:sc= -2.29! C(o=-2.3!,f=-5.1!) 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+ 174:sc=-0.00288 (180deg=-0.0289) USER MOD ----------------------------------------------------------------- ATOM 109 N VAL A 8 10.696 -2.608 5.811 1.00 0.00 N ATOM 110 CA VAL A 8 9.238 -2.464 6.087 1.00 0.00 C ATOM 111 C VAL A 8 8.885 -0.977 6.181 1.00 0.00 C ATOM 112 O VAL A 8 9.524 -0.224 6.888 1.00 0.00 O ATOM 113 CB VAL A 8 8.905 -3.151 7.413 1.00 0.00 C ATOM 114 CG1 VAL A 8 7.447 -2.876 7.782 1.00 0.00 C ATOM 115 CG2 VAL A 8 9.118 -4.659 7.273 1.00 0.00 C ATOM 0 HA VAL A 8 8.664 -2.925 5.283 1.00 0.00 H new ATOM 0 HB VAL A 8 9.556 -2.761 8.195 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.212 -3.366 8.727 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.294 -1.802 7.883 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.794 -3.264 7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.881 -5.149 8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.467 -5.047 6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.158 -4.857 7.012 1.00 0.00 H new ATOM 125 N TYR A 9 7.874 -0.546 5.475 1.00 0.00 N ATOM 126 CA TYR A 9 7.493 0.895 5.533 1.00 0.00 C ATOM 127 C TYR A 9 6.210 1.060 6.348 1.00 0.00 C ATOM 128 O TYR A 9 5.683 0.120 6.908 1.00 0.00 O ATOM 129 CB TYR A 9 7.239 1.431 4.120 1.00 0.00 C ATOM 130 CG TYR A 9 8.527 1.935 3.516 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.720 1.227 3.702 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.523 3.114 2.763 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.910 1.702 3.134 1.00 0.00 C ATOM 134 CE2 TYR A 9 9.710 3.587 2.194 1.00 0.00 C ATOM 135 CZ TYR A 9 10.903 2.882 2.379 1.00 0.00 C ATOM 136 OH TYR A 9 12.070 3.350 1.814 1.00 0.00 O ATOM 0 H TYR A 9 7.298 -1.126 4.864 1.00 0.00 H new ATOM 0 HA TYR A 9 8.309 1.448 5.999 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.819 0.644 3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.505 2.236 4.155 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.724 0.316 4.282 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.602 3.660 2.621 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.832 1.159 3.278 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.705 4.497 1.612 1.00 0.00 H new ATOM 0 HH TYR A 9 11.887 4.178 1.323 1.00 0.00 H new ATOM 146 N THR A 10 5.702 2.257 6.391 1.00 0.00 N ATOM 147 CA THR A 10 4.443 2.531 7.134 1.00 0.00 C ATOM 148 C THR A 10 3.709 3.641 6.389 1.00 0.00 C ATOM 149 O THR A 10 4.161 4.768 6.349 1.00 0.00 O ATOM 150 CB THR A 10 4.771 2.990 8.555 1.00 0.00 C ATOM 151 OG1 THR A 10 5.739 2.115 9.120 1.00 0.00 O ATOM 152 CG2 THR A 10 3.501 2.967 9.406 1.00 0.00 C ATOM 0 H THR A 10 6.113 3.071 5.935 1.00 0.00 H new ATOM 0 HA THR A 10 3.827 1.634 7.196 1.00 0.00 H new ATOM 0 HB THR A 10 5.168 4.005 8.528 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.953 2.408 10.031 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.736 3.294 10.419 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.759 3.637 8.971 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.101 1.953 9.436 1.00 0.00 H new ATOM 160 N GLY A 11 2.602 3.341 5.770 1.00 0.00 N ATOM 161 CA GLY A 11 1.896 4.404 5.005 1.00 0.00 C ATOM 162 C GLY A 11 0.479 4.601 5.529 1.00 0.00 C ATOM 163 O GLY A 11 -0.204 3.665 5.892 1.00 0.00 O ATOM 0 H GLY A 11 2.161 2.421 5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.449 5.340 5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.864 4.137 3.949 1.00 0.00 H new ATOM 167 N LYS A 12 0.028 5.823 5.543 1.00 0.00 N ATOM 168 CA LYS A 12 -1.348 6.113 6.010 1.00 0.00 C ATOM 169 C LYS A 12 -2.278 6.049 4.805 1.00 0.00 C ATOM 170 O LYS A 12 -1.835 6.068 3.674 1.00 0.00 O ATOM 171 CB LYS A 12 -1.401 7.521 6.608 1.00 0.00 C ATOM 172 CG LYS A 12 -0.071 7.833 7.296 1.00 0.00 C ATOM 173 CD LYS A 12 -0.302 8.852 8.415 1.00 0.00 C ATOM 174 CE LYS A 12 0.981 9.652 8.650 1.00 0.00 C ATOM 175 NZ LYS A 12 1.094 10.720 7.616 1.00 0.00 N ATOM 0 H LYS A 12 0.563 6.640 5.247 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.649 5.390 6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.598 8.253 5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.219 7.593 7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.362 6.920 7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.642 8.228 6.572 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.118 9.523 8.147 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.597 8.341 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.970 10.094 9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.848 8.993 8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.096 10.953 7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.679 10.384 6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.586 11.569 7.937 1.00 0.00 H new ATOM 189 N VAL A 13 -3.554 5.989 5.023 1.00 0.00 N ATOM 190 CA VAL A 13 -4.478 5.939 3.864 1.00 0.00 C ATOM 191 C VAL A 13 -4.814 7.367 3.452 1.00 0.00 C ATOM 192 O VAL A 13 -5.600 8.041 4.088 1.00 0.00 O ATOM 193 CB VAL A 13 -5.762 5.213 4.251 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.641 5.059 3.011 1.00 0.00 C ATOM 195 CG2 VAL A 13 -5.422 3.832 4.819 1.00 0.00 C ATOM 0 H VAL A 13 -3.996 5.972 5.942 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.004 5.406 3.040 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.295 5.787 5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.561 4.541 3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.883 6.044 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.107 4.482 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.341 3.316 5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.890 3.250 4.066 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.792 3.946 5.701 1.00 0.00 H new ATOM 205 N THR A 14 -4.215 7.841 2.399 1.00 0.00 N ATOM 206 CA THR A 14 -4.490 9.233 1.955 1.00 0.00 C ATOM 207 C THR A 14 -5.454 9.209 0.767 1.00 0.00 C ATOM 208 O THR A 14 -5.929 10.235 0.322 1.00 0.00 O ATOM 209 CB THR A 14 -3.181 9.919 1.543 1.00 0.00 C ATOM 210 OG1 THR A 14 -3.050 9.876 0.130 1.00 0.00 O ATOM 211 CG2 THR A 14 -1.989 9.208 2.187 1.00 0.00 C ATOM 0 H THR A 14 -3.547 7.325 1.826 1.00 0.00 H new ATOM 0 HA THR A 14 -4.940 9.789 2.777 1.00 0.00 H new ATOM 0 HB THR A 14 -3.201 10.956 1.880 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.441 9.150 -0.120 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.065 9.703 1.888 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.086 9.245 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.966 8.168 1.860 1.00 0.00 H new ATOM 219 N ARG A 15 -5.743 8.046 0.242 1.00 0.00 N ATOM 220 CA ARG A 15 -6.673 7.965 -0.927 1.00 0.00 C ATOM 221 C ARG A 15 -7.088 6.505 -1.155 1.00 0.00 C ATOM 222 O ARG A 15 -6.322 5.593 -0.928 1.00 0.00 O ATOM 223 CB ARG A 15 -5.980 8.494 -2.200 1.00 0.00 C ATOM 224 CG ARG A 15 -4.573 9.012 -1.875 1.00 0.00 C ATOM 225 CD ARG A 15 -3.724 9.046 -3.147 1.00 0.00 C ATOM 226 NE ARG A 15 -4.198 10.150 -4.030 1.00 0.00 N ATOM 227 CZ ARG A 15 -3.461 10.551 -5.029 1.00 0.00 C ATOM 228 NH1 ARG A 15 -3.491 9.906 -6.164 1.00 0.00 N ATOM 229 NH2 ARG A 15 -2.692 11.595 -4.893 1.00 0.00 N ATOM 0 H ARG A 15 -5.378 7.152 0.570 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.552 8.574 -0.716 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.918 7.699 -2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.576 9.295 -2.638 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.635 10.010 -1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.103 8.370 -1.130 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.674 9.194 -2.893 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.794 8.092 -3.670 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.100 10.592 -3.853 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.091 9.088 -6.270 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.914 10.220 -6.945 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.667 12.098 -4.006 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.116 11.909 -5.674 1.00 0.00 H new ATOM 243 N ILE A 16 -8.294 6.287 -1.619 1.00 0.00 N ATOM 244 CA ILE A 16 -8.767 4.893 -1.890 1.00 0.00 C ATOM 245 C ILE A 16 -9.380 4.863 -3.292 1.00 0.00 C ATOM 246 O ILE A 16 -9.688 5.894 -3.856 1.00 0.00 O ATOM 247 CB ILE A 16 -9.824 4.481 -0.860 1.00 0.00 C ATOM 248 CG1 ILE A 16 -9.203 4.484 0.537 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.331 3.071 -1.176 1.00 0.00 C ATOM 250 CD1 ILE A 16 -10.255 4.054 1.559 1.00 0.00 C ATOM 0 H ILE A 16 -8.975 7.019 -1.823 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.930 4.198 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.654 5.186 -0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.350 3.807 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.830 5.479 0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.082 2.781 -0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.773 3.058 -2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.498 2.368 -1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.815 4.055 2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.094 4.749 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.607 3.051 1.319 1.00 0.00 H new ATOM 262 N VAL A 17 -9.558 3.706 -3.872 1.00 0.00 N ATOM 263 CA VAL A 17 -10.146 3.670 -5.243 1.00 0.00 C ATOM 264 C VAL A 17 -11.163 2.518 -5.362 1.00 0.00 C ATOM 265 O VAL A 17 -11.081 1.524 -4.670 1.00 0.00 O ATOM 266 CB VAL A 17 -9.020 3.513 -6.292 1.00 0.00 C ATOM 267 CG1 VAL A 17 -7.673 3.892 -5.689 1.00 0.00 C ATOM 268 CG2 VAL A 17 -8.927 2.075 -6.772 1.00 0.00 C ATOM 0 H VAL A 17 -9.327 2.800 -3.465 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.671 4.607 -5.429 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.260 4.171 -7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.892 3.776 -6.441 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.703 4.929 -5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.459 3.243 -4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.129 1.988 -7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.712 1.422 -5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.873 1.781 -7.226 1.00 0.00 H new ATOM 278 N ASP A 18 -12.109 2.637 -6.252 1.00 0.00 N ATOM 279 CA ASP A 18 -13.115 1.549 -6.419 1.00 0.00 C ATOM 280 C ASP A 18 -12.407 0.238 -6.789 1.00 0.00 C ATOM 281 O ASP A 18 -12.735 -0.817 -6.282 1.00 0.00 O ATOM 282 CB ASP A 18 -14.095 1.927 -7.533 1.00 0.00 C ATOM 283 CG ASP A 18 -15.409 2.410 -6.916 1.00 0.00 C ATOM 284 OD1 ASP A 18 -16.072 1.606 -6.281 1.00 0.00 O ATOM 285 OD2 ASP A 18 -15.729 3.574 -7.088 1.00 0.00 O ATOM 0 H ASP A 18 -12.230 3.439 -6.870 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.657 1.415 -5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.666 2.709 -8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.278 1.067 -8.178 1.00 0.00 H new ATOM 290 N PHE A 19 -11.449 0.295 -7.676 1.00 0.00 N ATOM 291 CA PHE A 19 -10.732 -0.951 -8.087 1.00 0.00 C ATOM 292 C PHE A 19 -9.488 -1.159 -7.217 1.00 0.00 C ATOM 293 O PHE A 19 -8.538 -1.790 -7.636 1.00 0.00 O ATOM 294 CB PHE A 19 -10.292 -0.823 -9.548 1.00 0.00 C ATOM 295 CG PHE A 19 -9.635 0.519 -9.743 1.00 0.00 C ATOM 296 CD1 PHE A 19 -8.381 0.772 -9.174 1.00 0.00 C ATOM 297 CD2 PHE A 19 -10.290 1.519 -10.471 1.00 0.00 C ATOM 298 CE1 PHE A 19 -7.781 2.028 -9.334 1.00 0.00 C ATOM 299 CE2 PHE A 19 -9.690 2.774 -10.629 1.00 0.00 C ATOM 300 CZ PHE A 19 -8.437 3.027 -10.056 1.00 0.00 C ATOM 0 H PHE A 19 -11.131 1.149 -8.134 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.405 -1.800 -7.966 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.598 -1.623 -9.804 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.152 -0.922 -10.211 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.877 -0.000 -8.612 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.257 1.323 -10.910 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.812 2.223 -8.899 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.193 3.546 -11.192 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.977 3.997 -10.173 1.00 0.00 H new ATOM 310 N GLY A 20 -9.469 -0.639 -6.020 1.00 0.00 N ATOM 311 CA GLY A 20 -8.259 -0.830 -5.166 1.00 0.00 C ATOM 312 C GLY A 20 -8.173 0.253 -4.087 1.00 0.00 C ATOM 313 O GLY A 20 -9.161 0.826 -3.679 1.00 0.00 O ATOM 0 H GLY A 20 -10.225 -0.098 -5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.292 -1.814 -4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.363 -0.802 -5.787 1.00 0.00 H new ATOM 317 N ALA A 21 -6.988 0.532 -3.614 1.00 0.00 N ATOM 318 CA ALA A 21 -6.821 1.567 -2.561 1.00 0.00 C ATOM 319 C ALA A 21 -5.454 2.220 -2.720 1.00 0.00 C ATOM 320 O ALA A 21 -4.497 1.588 -3.107 1.00 0.00 O ATOM 321 CB ALA A 21 -6.894 0.919 -1.177 1.00 0.00 C ATOM 0 H ALA A 21 -6.124 0.082 -3.916 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.613 2.310 -2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.771 1.684 -0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.862 0.434 -1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.101 0.177 -1.080 1.00 0.00 H new ATOM 327 N PHE A 22 -5.356 3.480 -2.426 1.00 0.00 N ATOM 328 CA PHE A 22 -4.053 4.183 -2.545 1.00 0.00 C ATOM 329 C PHE A 22 -3.504 4.443 -1.139 1.00 0.00 C ATOM 330 O PHE A 22 -4.240 4.454 -0.172 1.00 0.00 O ATOM 331 CB PHE A 22 -4.266 5.508 -3.277 1.00 0.00 C ATOM 332 CG PHE A 22 -4.479 5.253 -4.756 1.00 0.00 C ATOM 333 CD1 PHE A 22 -4.552 3.941 -5.250 1.00 0.00 C ATOM 334 CD2 PHE A 22 -4.596 6.336 -5.633 1.00 0.00 C ATOM 335 CE1 PHE A 22 -4.737 3.716 -6.617 1.00 0.00 C ATOM 336 CE2 PHE A 22 -4.783 6.110 -7.002 1.00 0.00 C ATOM 337 CZ PHE A 22 -4.852 4.800 -7.493 1.00 0.00 C ATOM 0 H PHE A 22 -6.131 4.061 -2.105 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.343 3.575 -3.105 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.129 6.028 -2.861 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.402 6.156 -3.132 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.465 3.104 -4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.542 7.346 -5.254 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.791 2.706 -6.996 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.874 6.946 -7.680 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.994 4.627 -8.550 1.00 0.00 H new ATOM 347 N VAL A 23 -2.221 4.643 -1.011 1.00 0.00 N ATOM 348 CA VAL A 23 -1.641 4.889 0.340 1.00 0.00 C ATOM 349 C VAL A 23 -0.431 5.818 0.222 1.00 0.00 C ATOM 350 O VAL A 23 0.083 6.053 -0.853 1.00 0.00 O ATOM 351 CB VAL A 23 -1.213 3.553 0.953 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.305 3.803 2.160 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.456 2.785 1.404 1.00 0.00 C ATOM 0 H VAL A 23 -1.551 4.647 -1.780 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.388 5.361 0.979 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.669 2.971 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.003 2.849 2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.580 4.353 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.845 4.385 2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.156 1.833 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.996 3.372 2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.102 2.603 0.546 1.00 0.00 H new ATOM 363 N ALA A 24 0.025 6.351 1.322 1.00 0.00 N ATOM 364 CA ALA A 24 1.198 7.269 1.274 1.00 0.00 C ATOM 365 C ALA A 24 2.143 6.955 2.440 1.00 0.00 C ATOM 366 O ALA A 24 1.707 6.619 3.520 1.00 0.00 O ATOM 367 CB ALA A 24 0.703 8.712 1.385 1.00 0.00 C ATOM 0 H ALA A 24 -0.364 6.191 2.251 1.00 0.00 H new ATOM 0 HA ALA A 24 1.735 7.136 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.554 9.392 1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.030 8.931 0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.172 8.843 2.328 1.00 0.00 H new ATOM 373 N ILE A 25 3.436 7.072 2.248 1.00 0.00 N ATOM 374 CA ILE A 25 4.370 6.786 3.379 1.00 0.00 C ATOM 375 C ILE A 25 4.889 8.114 3.929 1.00 0.00 C ATOM 376 O ILE A 25 5.341 8.201 5.054 1.00 0.00 O ATOM 377 CB ILE A 25 5.545 5.921 2.906 1.00 0.00 C ATOM 378 CG1 ILE A 25 6.040 6.419 1.548 1.00 0.00 C ATOM 379 CG2 ILE A 25 5.097 4.460 2.783 1.00 0.00 C ATOM 380 CD1 ILE A 25 7.247 5.588 1.109 1.00 0.00 C ATOM 0 H ILE A 25 3.878 7.349 1.371 1.00 0.00 H new ATOM 0 HA ILE A 25 3.839 6.238 4.158 1.00 0.00 H new ATOM 0 HB ILE A 25 6.354 5.991 3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.243 6.342 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.314 7.472 1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.935 3.850 2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.754 4.102 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.283 4.388 2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.600 5.943 0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.045 5.688 1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.957 4.540 1.028 1.00 0.00 H new ATOM 413 N LYS A 29 7.808 9.001 -0.310 1.00 0.00 N ATOM 414 CA LYS A 29 6.900 8.787 -1.475 1.00 0.00 C ATOM 415 C LYS A 29 5.538 8.276 -0.993 1.00 0.00 C ATOM 416 O LYS A 29 5.181 8.400 0.167 1.00 0.00 O ATOM 417 CB LYS A 29 7.528 7.755 -2.414 1.00 0.00 C ATOM 418 CG LYS A 29 7.847 8.412 -3.760 1.00 0.00 C ATOM 419 CD LYS A 29 8.002 7.329 -4.829 1.00 0.00 C ATOM 420 CE LYS A 29 6.762 7.314 -5.725 1.00 0.00 C ATOM 421 NZ LYS A 29 6.895 8.366 -6.771 1.00 0.00 N ATOM 0 HA LYS A 29 6.758 9.731 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.438 7.351 -1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.845 6.918 -2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.050 9.102 -4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.763 8.997 -3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.893 7.519 -5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.135 6.355 -4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.648 6.335 -6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.867 7.490 -5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.053 8.357 -7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.984 9.297 -6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.741 8.179 -7.346 1.00 0.00 H new ATOM 435 N GLU A 30 4.765 7.700 -1.873 1.00 0.00 N ATOM 436 CA GLU A 30 3.434 7.192 -1.454 1.00 0.00 C ATOM 437 C GLU A 30 3.314 5.701 -1.778 1.00 0.00 C ATOM 438 O GLU A 30 3.941 5.197 -2.689 1.00 0.00 O ATOM 439 CB GLU A 30 2.331 7.964 -2.183 1.00 0.00 C ATOM 440 CG GLU A 30 2.582 9.468 -2.048 1.00 0.00 C ATOM 441 CD GLU A 30 3.151 10.013 -3.358 1.00 0.00 C ATOM 442 OE1 GLU A 30 3.740 9.236 -4.093 1.00 0.00 O ATOM 443 OE2 GLU A 30 2.988 11.196 -3.607 1.00 0.00 O ATOM 0 H GLU A 30 4.998 7.561 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 30 3.326 7.334 -0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.310 7.682 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.357 7.709 -1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.652 9.981 -1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.277 9.659 -1.231 1.00 0.00 H new ATOM 450 N GLY A 31 2.500 4.995 -1.040 1.00 0.00 N ATOM 451 CA GLY A 31 2.318 3.539 -1.297 1.00 0.00 C ATOM 452 C GLY A 31 0.984 3.328 -2.008 1.00 0.00 C ATOM 453 O GLY A 31 0.300 4.273 -2.344 1.00 0.00 O ATOM 0 H GLY A 31 1.950 5.368 -0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.136 3.159 -1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.337 2.985 -0.359 1.00 0.00 H new ATOM 457 N LEU A 32 0.599 2.105 -2.241 1.00 0.00 N ATOM 458 CA LEU A 32 -0.701 1.868 -2.925 1.00 0.00 C ATOM 459 C LEU A 32 -1.304 0.539 -2.483 1.00 0.00 C ATOM 460 O LEU A 32 -0.736 -0.513 -2.699 1.00 0.00 O ATOM 461 CB LEU A 32 -0.510 1.820 -4.435 1.00 0.00 C ATOM 462 CG LEU A 32 -1.871 2.053 -5.083 1.00 0.00 C ATOM 463 CD1 LEU A 32 -1.862 3.394 -5.795 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.184 0.944 -6.085 1.00 0.00 C ATOM 0 H LEU A 32 1.123 1.267 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.367 2.689 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.201 2.582 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.102 0.856 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.638 2.048 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.833 3.566 -6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.659 4.187 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.087 3.394 -6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.159 1.127 -6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.420 0.930 -6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.197 -0.017 -5.571 1.00 0.00 H new ATOM 476 N VAL A 33 -2.471 0.567 -1.905 1.00 0.00 N ATOM 477 CA VAL A 33 -3.119 -0.703 -1.504 1.00 0.00 C ATOM 478 C VAL A 33 -4.103 -1.099 -2.607 1.00 0.00 C ATOM 479 O VAL A 33 -5.298 -1.152 -2.401 1.00 0.00 O ATOM 480 CB VAL A 33 -3.880 -0.520 -0.190 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.395 -1.878 0.286 1.00 0.00 C ATOM 482 CG2 VAL A 33 -2.949 0.070 0.870 1.00 0.00 C ATOM 0 H VAL A 33 -3.000 1.413 -1.695 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.363 -1.475 -1.362 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.718 0.158 -0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.938 -1.753 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.062 -2.299 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.553 -2.552 0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.496 0.198 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.108 -0.604 1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.578 1.037 0.531 1.00 0.00 H new ATOM 492 N HIS A 34 -3.618 -1.361 -3.789 1.00 0.00 N ATOM 493 CA HIS A 34 -4.552 -1.740 -4.881 1.00 0.00 C ATOM 494 C HIS A 34 -5.493 -2.829 -4.355 1.00 0.00 C ATOM 495 O HIS A 34 -5.228 -3.451 -3.349 1.00 0.00 O ATOM 496 CB HIS A 34 -3.772 -2.274 -6.083 1.00 0.00 C ATOM 497 CG HIS A 34 -4.647 -2.221 -7.308 1.00 0.00 C ATOM 498 ND1 HIS A 34 -4.934 -3.350 -8.061 1.00 0.00 N ATOM 499 CD2 HIS A 34 -5.309 -1.184 -7.921 1.00 0.00 C ATOM 500 CE1 HIS A 34 -5.735 -2.969 -9.073 1.00 0.00 C ATOM 501 NE2 HIS A 34 -5.995 -1.660 -9.035 1.00 0.00 N ATOM 0 H HIS A 34 -2.630 -1.330 -4.042 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.121 -0.866 -5.198 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.871 -1.680 -6.239 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.450 -3.298 -5.896 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.299 -0.156 -7.589 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.121 -3.641 -9.825 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.572 -1.124 -9.683 1.00 0.00 H new ATOM 509 N ILE A 35 -6.593 -3.057 -5.015 1.00 0.00 N ATOM 510 CA ILE A 35 -7.556 -4.097 -4.547 1.00 0.00 C ATOM 511 C ILE A 35 -6.856 -5.451 -4.403 1.00 0.00 C ATOM 512 O ILE A 35 -7.033 -6.150 -3.425 1.00 0.00 O ATOM 513 CB ILE A 35 -8.690 -4.220 -5.564 1.00 0.00 C ATOM 514 CG1 ILE A 35 -9.537 -5.449 -5.232 1.00 0.00 C ATOM 515 CG2 ILE A 35 -8.099 -4.375 -6.968 1.00 0.00 C ATOM 516 CD1 ILE A 35 -11.000 -5.033 -5.100 1.00 0.00 C ATOM 0 H ILE A 35 -6.870 -2.565 -5.865 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.952 -3.803 -3.575 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.312 -3.326 -5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.430 -6.201 -6.014 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.191 -5.903 -4.304 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.906 -4.463 -7.695 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.491 -3.502 -7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.479 -5.270 -7.005 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.607 -5.907 -4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.098 -4.296 -4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.341 -4.598 -6.040 1.00 0.00 H new ATOM 528 N SER A 36 -6.074 -5.834 -5.373 1.00 0.00 N ATOM 529 CA SER A 36 -5.376 -7.153 -5.294 1.00 0.00 C ATOM 530 C SER A 36 -4.127 -7.057 -4.403 1.00 0.00 C ATOM 531 O SER A 36 -3.210 -7.845 -4.528 1.00 0.00 O ATOM 532 CB SER A 36 -4.962 -7.587 -6.701 1.00 0.00 C ATOM 533 OG SER A 36 -5.757 -6.898 -7.658 1.00 0.00 O ATOM 0 H SER A 36 -5.886 -5.293 -6.217 1.00 0.00 H new ATOM 0 HA SER A 36 -6.057 -7.884 -4.859 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.906 -7.371 -6.865 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.088 -8.664 -6.814 1.00 0.00 H new ATOM 0 HG SER A 36 -5.493 -7.173 -8.561 1.00 0.00 H new ATOM 539 N GLN A 37 -4.081 -6.111 -3.501 1.00 0.00 N ATOM 540 CA GLN A 37 -2.893 -5.987 -2.608 1.00 0.00 C ATOM 541 C GLN A 37 -3.361 -5.671 -1.184 1.00 0.00 C ATOM 542 O GLN A 37 -3.080 -4.617 -0.652 1.00 0.00 O ATOM 543 CB GLN A 37 -1.990 -4.849 -3.099 1.00 0.00 C ATOM 544 CG GLN A 37 -1.642 -5.053 -4.577 1.00 0.00 C ATOM 545 CD GLN A 37 -0.246 -5.668 -4.694 1.00 0.00 C ATOM 546 OE1 GLN A 37 -0.100 -6.874 -4.698 1.00 0.00 O ATOM 547 NE2 GLN A 37 0.793 -4.884 -4.790 1.00 0.00 N ATOM 0 H GLN A 37 -4.815 -5.420 -3.345 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.337 -6.924 -2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.493 -3.891 -2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.077 -4.816 -2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.378 -5.704 -5.048 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.676 -4.100 -5.104 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.670 -3.871 -4.787 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.728 -5.284 -4.868 1.00 0.00 H new ATOM 556 N ILE A 38 -4.077 -6.570 -0.562 1.00 0.00 N ATOM 557 CA ILE A 38 -4.554 -6.301 0.827 1.00 0.00 C ATOM 558 C ILE A 38 -4.199 -7.482 1.732 1.00 0.00 C ATOM 559 O ILE A 38 -3.114 -7.559 2.277 1.00 0.00 O ATOM 560 CB ILE A 38 -6.075 -6.089 0.827 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.401 -4.698 0.283 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.613 -6.201 2.257 1.00 0.00 C ATOM 563 CD1 ILE A 38 -5.941 -4.595 -1.168 1.00 0.00 C ATOM 0 H ILE A 38 -4.351 -7.472 -0.951 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.068 -5.400 1.202 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.539 -6.849 0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.473 -4.513 0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.908 -3.936 0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.692 -6.050 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.387 -7.190 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.143 -5.442 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.174 -3.603 -1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.865 -4.761 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.455 -5.347 -1.767 1.00 0.00 H new ATOM 575 N ALA A 39 -5.111 -8.393 1.904 1.00 0.00 N ATOM 576 CA ALA A 39 -4.845 -9.566 2.783 1.00 0.00 C ATOM 577 C ALA A 39 -4.842 -10.851 1.949 1.00 0.00 C ATOM 578 O ALA A 39 -4.829 -10.816 0.735 1.00 0.00 O ATOM 579 CB ALA A 39 -5.941 -9.656 3.847 1.00 0.00 C ATOM 0 H ALA A 39 -6.035 -8.377 1.472 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.873 -9.446 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.751 -10.513 4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.944 -8.744 4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.910 -9.775 3.362 1.00 0.00 H new ATOM 643 N VAL A 43 -9.797 -9.081 -1.431 1.00 0.00 N ATOM 644 CA VAL A 43 -10.622 -8.031 -0.788 1.00 0.00 C ATOM 645 C VAL A 43 -11.533 -7.399 -1.839 1.00 0.00 C ATOM 646 O VAL A 43 -11.237 -6.355 -2.386 1.00 0.00 O ATOM 647 CB VAL A 43 -9.702 -6.970 -0.183 1.00 0.00 C ATOM 648 CG1 VAL A 43 -10.521 -5.742 0.209 1.00 0.00 C ATOM 649 CG2 VAL A 43 -9.013 -7.541 1.058 1.00 0.00 C ATOM 0 HA VAL A 43 -11.234 -8.465 0.003 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.950 -6.682 -0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.862 -4.988 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.011 -5.334 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.275 -6.027 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.357 -6.785 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.766 -7.830 1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.425 -8.415 0.778 1.00 0.00 H new ATOM 659 N GLU A 44 -12.641 -8.024 -2.124 1.00 0.00 N ATOM 660 CA GLU A 44 -13.578 -7.462 -3.136 1.00 0.00 C ATOM 661 C GLU A 44 -13.920 -6.022 -2.756 1.00 0.00 C ATOM 662 O GLU A 44 -14.386 -5.246 -3.568 1.00 0.00 O ATOM 663 CB GLU A 44 -14.862 -8.291 -3.155 1.00 0.00 C ATOM 664 CG GLU A 44 -14.578 -9.666 -3.765 1.00 0.00 C ATOM 665 CD GLU A 44 -15.891 -10.435 -3.926 1.00 0.00 C ATOM 666 OE1 GLU A 44 -16.893 -9.974 -3.405 1.00 0.00 O ATOM 667 OE2 GLU A 44 -15.871 -11.473 -4.568 1.00 0.00 O ATOM 0 H GLU A 44 -12.939 -8.902 -1.699 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.111 -7.486 -4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.248 -8.404 -2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -15.630 -7.777 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.090 -9.552 -4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.893 -10.224 -3.127 1.00 0.00 H new ATOM 674 N LYS A 45 -13.702 -5.665 -1.523 1.00 0.00 N ATOM 675 CA LYS A 45 -14.022 -4.277 -1.081 1.00 0.00 C ATOM 676 C LYS A 45 -12.761 -3.605 -0.534 1.00 0.00 C ATOM 677 O LYS A 45 -12.286 -3.927 0.535 1.00 0.00 O ATOM 678 CB LYS A 45 -15.092 -4.328 0.011 1.00 0.00 C ATOM 679 CG LYS A 45 -16.439 -3.899 -0.574 1.00 0.00 C ATOM 680 CD LYS A 45 -17.331 -5.127 -0.758 1.00 0.00 C ATOM 681 CE LYS A 45 -18.204 -4.943 -1.999 1.00 0.00 C ATOM 682 NZ LYS A 45 -18.216 -6.206 -2.790 1.00 0.00 N ATOM 0 H LYS A 45 -13.316 -6.273 -0.800 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.393 -3.702 -1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.165 -5.337 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.816 -3.671 0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.923 -3.181 0.088 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.289 -3.399 -1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.718 -6.022 -0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.958 -5.269 0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -19.219 -4.675 -1.706 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.821 -4.124 -2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.810 -6.081 -3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.246 -6.443 -3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.600 -6.977 -2.207 1.00 0.00 H new ATOM 696 N VAL A 46 -12.221 -2.666 -1.261 1.00 0.00 N ATOM 697 CA VAL A 46 -10.987 -1.970 -0.781 1.00 0.00 C ATOM 698 C VAL A 46 -11.366 -0.973 0.309 1.00 0.00 C ATOM 699 O VAL A 46 -10.562 -0.620 1.148 1.00 0.00 O ATOM 700 CB VAL A 46 -10.284 -1.213 -1.921 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.871 -1.766 -2.100 1.00 0.00 C ATOM 702 CG2 VAL A 46 -11.048 -1.368 -3.237 1.00 0.00 C ATOM 0 H VAL A 46 -12.577 -2.349 -2.163 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.302 -2.726 -0.396 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.249 -0.155 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.371 -1.231 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.309 -1.635 -1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.924 -2.827 -2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.529 -0.823 -4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.105 -2.424 -3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -12.055 -0.968 -3.122 1.00 0.00 H new ATOM 712 N THR A 47 -12.586 -0.517 0.305 1.00 0.00 N ATOM 713 CA THR A 47 -13.016 0.457 1.346 1.00 0.00 C ATOM 714 C THR A 47 -13.298 -0.285 2.657 1.00 0.00 C ATOM 715 O THR A 47 -13.756 0.295 3.621 1.00 0.00 O ATOM 716 CB THR A 47 -14.285 1.175 0.879 1.00 0.00 C ATOM 717 OG1 THR A 47 -15.167 0.234 0.282 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.915 2.253 -0.143 1.00 0.00 C ATOM 0 H THR A 47 -13.303 -0.776 -0.372 1.00 0.00 H new ATOM 0 HA THR A 47 -12.225 1.189 1.509 1.00 0.00 H new ATOM 0 HB THR A 47 -14.776 1.641 1.733 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.981 0.692 -0.016 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.818 2.764 -0.476 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.239 2.974 0.317 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.424 1.790 -0.999 1.00 0.00 H new ATOM 726 N ASP A 48 -13.018 -1.561 2.706 1.00 0.00 N ATOM 727 CA ASP A 48 -13.262 -2.331 3.958 1.00 0.00 C ATOM 728 C ASP A 48 -11.923 -2.580 4.649 1.00 0.00 C ATOM 729 O ASP A 48 -11.816 -2.535 5.859 1.00 0.00 O ATOM 730 CB ASP A 48 -13.919 -3.673 3.625 1.00 0.00 C ATOM 731 CG ASP A 48 -15.326 -3.429 3.075 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.601 -2.308 2.680 1.00 0.00 O ATOM 733 OD2 ASP A 48 -16.105 -4.368 3.058 1.00 0.00 O ATOM 0 H ASP A 48 -12.631 -2.102 1.933 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.924 -1.765 4.613 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.319 -4.212 2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.969 -4.297 4.517 1.00 0.00 H new ATOM 738 N TYR A 49 -10.897 -2.832 3.885 1.00 0.00 N ATOM 739 CA TYR A 49 -9.560 -3.074 4.488 1.00 0.00 C ATOM 740 C TYR A 49 -8.831 -1.741 4.614 1.00 0.00 C ATOM 741 O TYR A 49 -8.132 -1.488 5.575 1.00 0.00 O ATOM 742 CB TYR A 49 -8.752 -4.000 3.588 1.00 0.00 C ATOM 743 CG TYR A 49 -9.390 -5.363 3.567 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.657 -5.534 2.999 1.00 0.00 C ATOM 745 CD2 TYR A 49 -8.708 -6.463 4.102 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.245 -6.802 2.969 1.00 0.00 C ATOM 747 CE2 TYR A 49 -9.296 -7.732 4.070 1.00 0.00 C ATOM 748 CZ TYR A 49 -10.565 -7.902 3.504 1.00 0.00 C ATOM 749 OH TYR A 49 -11.145 -9.154 3.472 1.00 0.00 O ATOM 0 H TYR A 49 -10.928 -2.881 2.867 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.677 -3.535 5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.705 -3.593 2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.726 -4.072 3.950 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.181 -4.686 2.583 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.729 -6.332 4.539 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.224 -6.933 2.533 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.771 -8.581 4.482 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.540 -9.806 3.883 1.00 0.00 H new ATOM 759 N LEU A 50 -8.990 -0.883 3.643 1.00 0.00 N ATOM 760 CA LEU A 50 -8.309 0.437 3.696 1.00 0.00 C ATOM 761 C LEU A 50 -9.274 1.480 4.248 1.00 0.00 C ATOM 762 O LEU A 50 -10.432 1.530 3.885 1.00 0.00 O ATOM 763 CB LEU A 50 -7.859 0.839 2.283 1.00 0.00 C ATOM 764 CG LEU A 50 -6.334 0.675 2.107 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.643 2.006 2.399 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.781 -0.398 3.056 1.00 0.00 C ATOM 0 H LEU A 50 -9.564 -1.042 2.815 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.436 0.374 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.379 0.227 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.139 1.875 2.092 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.139 0.365 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.566 1.892 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.009 2.765 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.860 2.312 3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.705 -0.493 2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.984 -0.111 4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.261 -1.353 2.844 1.00 0.00 H new ATOM 778 N GLN A 51 -8.800 2.306 5.134 1.00 0.00 N ATOM 779 CA GLN A 51 -9.682 3.349 5.731 1.00 0.00 C ATOM 780 C GLN A 51 -8.993 4.710 5.637 1.00 0.00 C ATOM 781 O GLN A 51 -7.835 4.848 5.968 1.00 0.00 O ATOM 782 CB GLN A 51 -9.944 3.010 7.199 1.00 0.00 C ATOM 783 CG GLN A 51 -11.388 2.534 7.365 1.00 0.00 C ATOM 784 CD GLN A 51 -12.333 3.734 7.291 1.00 0.00 C ATOM 785 OE1 GLN A 51 -13.337 3.690 6.608 1.00 0.00 O ATOM 786 NE2 GLN A 51 -12.052 4.812 7.970 1.00 0.00 N ATOM 0 H GLN A 51 -7.838 2.306 5.473 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.628 3.382 5.190 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.254 2.235 7.533 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -9.765 3.886 7.823 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.636 1.814 6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.506 2.023 8.321 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -11.209 4.848 8.543 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.675 5.618 7.928 1.00 0.00 H new ATOM 795 N MET A 52 -9.694 5.714 5.189 1.00 0.00 N ATOM 796 CA MET A 52 -9.075 7.065 5.073 1.00 0.00 C ATOM 797 C MET A 52 -8.542 7.507 6.440 1.00 0.00 C ATOM 798 O MET A 52 -9.293 7.738 7.366 1.00 0.00 O ATOM 799 CB MET A 52 -10.124 8.067 4.585 1.00 0.00 C ATOM 800 CG MET A 52 -10.295 7.927 3.071 1.00 0.00 C ATOM 801 SD MET A 52 -11.970 8.432 2.603 1.00 0.00 S ATOM 802 CE MET A 52 -12.119 7.386 1.133 1.00 0.00 C ATOM 0 H MET A 52 -10.670 5.658 4.898 1.00 0.00 H new ATOM 0 HA MET A 52 -8.251 7.025 4.360 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.075 7.889 5.087 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.817 9.083 4.835 1.00 0.00 H new ATOM 0 HG2 MET A 52 -9.560 8.543 2.553 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.117 6.895 2.768 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.671 7.921 0.360 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.125 7.136 0.762 1.00 0.00 H new ATOM 0 HE3 MET A 52 -12.651 6.470 1.391 1.00 0.00 H new ATOM 812 N GLY A 53 -7.248 7.629 6.569 1.00 0.00 N ATOM 813 CA GLY A 53 -6.665 8.058 7.874 1.00 0.00 C ATOM 814 C GLY A 53 -6.011 6.859 8.564 1.00 0.00 C ATOM 815 O GLY A 53 -5.016 6.989 9.249 1.00 0.00 O ATOM 0 H GLY A 53 -6.570 7.450 5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.928 8.844 7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.444 8.477 8.511 1.00 0.00 H new ATOM 819 N GLN A 54 -6.569 5.692 8.393 1.00 0.00 N ATOM 820 CA GLN A 54 -5.991 4.478 9.040 1.00 0.00 C ATOM 821 C GLN A 54 -4.513 4.338 8.666 1.00 0.00 C ATOM 822 O GLN A 54 -4.112 4.618 7.554 1.00 0.00 O ATOM 823 CB GLN A 54 -6.751 3.239 8.560 1.00 0.00 C ATOM 824 CG GLN A 54 -7.829 2.873 9.581 1.00 0.00 C ATOM 825 CD GLN A 54 -8.175 1.389 9.446 1.00 0.00 C ATOM 826 OE1 GLN A 54 -7.519 0.663 8.727 1.00 0.00 O ATOM 827 NE2 GLN A 54 -9.187 0.904 10.113 1.00 0.00 N ATOM 0 H GLN A 54 -7.404 5.526 7.831 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.080 4.573 10.122 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.206 3.432 7.589 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.062 2.405 8.429 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.476 3.085 10.590 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.719 3.481 9.420 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.739 1.513 10.717 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.426 -0.084 10.030 1.00 0.00 H new ATOM 836 N GLU A 55 -3.701 3.892 9.589 1.00 0.00 N ATOM 837 CA GLU A 55 -2.251 3.716 9.294 1.00 0.00 C ATOM 838 C GLU A 55 -1.961 2.226 9.106 1.00 0.00 C ATOM 839 O GLU A 55 -2.332 1.408 9.924 1.00 0.00 O ATOM 840 CB GLU A 55 -1.422 4.250 10.464 1.00 0.00 C ATOM 841 CG GLU A 55 -1.240 5.762 10.318 1.00 0.00 C ATOM 842 CD GLU A 55 -0.574 6.319 11.578 1.00 0.00 C ATOM 843 OE1 GLU A 55 0.596 6.043 11.778 1.00 0.00 O ATOM 844 OE2 GLU A 55 -1.248 7.014 12.321 1.00 0.00 O ATOM 0 H GLU A 55 -3.982 3.642 10.537 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.990 4.263 8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.918 4.023 11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.450 3.757 10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.629 5.983 9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.206 6.242 10.162 1.00 0.00 H new ATOM 851 N VAL A 56 -1.308 1.859 8.037 1.00 0.00 N ATOM 852 CA VAL A 56 -1.014 0.417 7.814 1.00 0.00 C ATOM 853 C VAL A 56 0.459 0.234 7.418 1.00 0.00 C ATOM 854 O VAL A 56 0.971 0.955 6.578 1.00 0.00 O ATOM 855 CB VAL A 56 -1.908 -0.116 6.694 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.376 0.049 7.090 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.636 0.667 5.408 1.00 0.00 C ATOM 0 H VAL A 56 -0.968 2.492 7.313 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.208 -0.132 8.735 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.693 -1.172 6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.013 -0.331 6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.571 -0.509 8.006 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.592 1.105 7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.273 0.287 4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.851 1.723 5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.590 0.549 5.125 1.00 0.00 H new ATOM 867 N PRO A 57 1.096 -0.737 8.032 1.00 0.00 N ATOM 868 CA PRO A 57 2.505 -1.058 7.762 1.00 0.00 C ATOM 869 C PRO A 57 2.613 -1.928 6.507 1.00 0.00 C ATOM 870 O PRO A 57 1.778 -2.778 6.253 1.00 0.00 O ATOM 871 CB PRO A 57 2.936 -1.849 9.001 1.00 0.00 C ATOM 872 CG PRO A 57 1.641 -2.428 9.620 1.00 0.00 C ATOM 873 CD PRO A 57 0.472 -1.597 9.060 1.00 0.00 C ATOM 0 HA PRO A 57 3.122 -0.177 7.586 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.628 -2.647 8.731 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.453 -1.205 9.713 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.526 -3.481 9.362 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.672 -2.368 10.708 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.300 -2.235 8.630 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.004 -1.003 9.840 1.00 0.00 H new ATOM 881 N VAL A 58 3.633 -1.731 5.720 1.00 0.00 N ATOM 882 CA VAL A 58 3.784 -2.557 4.493 1.00 0.00 C ATOM 883 C VAL A 58 5.239 -3.019 4.369 1.00 0.00 C ATOM 884 O VAL A 58 6.064 -2.737 5.215 1.00 0.00 O ATOM 885 CB VAL A 58 3.372 -1.732 3.259 1.00 0.00 C ATOM 886 CG1 VAL A 58 2.280 -0.736 3.655 1.00 0.00 C ATOM 887 CG2 VAL A 58 4.576 -0.960 2.704 1.00 0.00 C ATOM 0 H VAL A 58 4.365 -1.037 5.873 1.00 0.00 H new ATOM 0 HA VAL A 58 3.139 -3.433 4.556 1.00 0.00 H new ATOM 0 HB VAL A 58 3.000 -2.412 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.987 -0.151 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.414 -1.278 4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.660 -0.068 4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.268 -0.382 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.960 -0.285 3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.357 -1.663 2.415 1.00 0.00 H new ATOM 897 N LYS A 59 5.559 -3.723 3.320 1.00 0.00 N ATOM 898 CA LYS A 59 6.958 -4.196 3.140 1.00 0.00 C ATOM 899 C LYS A 59 7.419 -3.874 1.718 1.00 0.00 C ATOM 900 O LYS A 59 6.949 -4.455 0.762 1.00 0.00 O ATOM 901 CB LYS A 59 7.020 -5.708 3.367 1.00 0.00 C ATOM 902 CG LYS A 59 7.177 -5.994 4.861 1.00 0.00 C ATOM 903 CD LYS A 59 5.880 -6.596 5.404 1.00 0.00 C ATOM 904 CE LYS A 59 6.181 -7.935 6.081 1.00 0.00 C ATOM 905 NZ LYS A 59 6.111 -9.030 5.071 1.00 0.00 N ATOM 0 H LYS A 59 4.911 -3.991 2.579 1.00 0.00 H new ATOM 0 HA LYS A 59 7.608 -3.696 3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.113 -6.181 2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.857 -6.135 2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.006 -6.682 5.025 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.415 -5.074 5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.420 -5.912 6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.166 -6.739 4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.171 -7.910 6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.465 -8.119 6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.316 -9.940 5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.158 -9.059 4.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.811 -8.856 4.321 1.00 0.00 H new ATOM 919 N VAL A 60 8.335 -2.955 1.572 1.00 0.00 N ATOM 920 CA VAL A 60 8.827 -2.600 0.209 1.00 0.00 C ATOM 921 C VAL A 60 9.197 -3.881 -0.539 1.00 0.00 C ATOM 922 O VAL A 60 10.315 -4.356 -0.466 1.00 0.00 O ATOM 923 CB VAL A 60 10.057 -1.701 0.328 1.00 0.00 C ATOM 924 CG1 VAL A 60 10.460 -1.200 -1.059 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.727 -0.506 1.225 1.00 0.00 C ATOM 0 H VAL A 60 8.764 -2.435 2.337 1.00 0.00 H new ATOM 0 HA VAL A 60 8.047 -2.070 -0.337 1.00 0.00 H new ATOM 0 HB VAL A 60 10.881 -2.267 0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.337 -0.559 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.693 -2.051 -1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.637 -0.633 -1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.603 0.137 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.903 0.060 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.439 -0.862 2.214 1.00 0.00 H new ATOM 1112 N LEU A 71 4.354 -2.418 -2.714 1.00 0.00 N ATOM 1113 CA LEU A 71 4.417 -2.500 -1.229 1.00 0.00 C ATOM 1114 C LEU A 71 3.691 -3.759 -0.757 1.00 0.00 C ATOM 1115 O LEU A 71 2.719 -4.186 -1.346 1.00 0.00 O ATOM 1116 CB LEU A 71 3.749 -1.266 -0.620 1.00 0.00 C ATOM 1117 CG LEU A 71 4.573 -0.022 -0.957 1.00 0.00 C ATOM 1118 CD1 LEU A 71 4.082 1.161 -0.121 1.00 0.00 C ATOM 1119 CD2 LEU A 71 6.047 -0.289 -0.645 1.00 0.00 C ATOM 0 HA LEU A 71 5.459 -2.541 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.735 -1.160 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.667 -1.380 0.461 1.00 0.00 H new ATOM 0 HG LEU A 71 4.460 0.212 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.670 2.046 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.032 1.352 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.193 0.929 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.636 0.596 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.158 -0.523 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.399 -1.131 -1.242 1.00 0.00 H new ATOM 1131 N SER A 72 4.156 -4.355 0.306 1.00 0.00 N ATOM 1132 CA SER A 72 3.497 -5.585 0.822 1.00 0.00 C ATOM 1133 C SER A 72 2.605 -5.227 2.011 1.00 0.00 C ATOM 1134 O SER A 72 3.080 -4.872 3.070 1.00 0.00 O ATOM 1135 CB SER A 72 4.564 -6.579 1.261 1.00 0.00 C ATOM 1136 OG SER A 72 4.439 -7.771 0.497 1.00 0.00 O ATOM 0 H SER A 72 4.966 -4.041 0.840 1.00 0.00 H new ATOM 0 HA SER A 72 2.886 -6.030 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.556 -6.149 1.125 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.456 -6.801 2.323 1.00 0.00 H new ATOM 0 HG SER A 72 5.126 -8.412 0.776 1.00 0.00 H new ATOM 1142 N ILE A 73 1.313 -5.316 1.838 1.00 0.00 N ATOM 1143 CA ILE A 73 0.376 -4.978 2.949 1.00 0.00 C ATOM 1144 C ILE A 73 0.597 -5.939 4.123 1.00 0.00 C ATOM 1145 O ILE A 73 0.571 -7.143 3.964 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.068 -5.100 2.437 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.430 -3.843 1.644 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.037 -5.251 3.614 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -0.797 -3.916 0.254 1.00 0.00 C ATOM 0 H ILE A 73 0.864 -5.610 0.970 1.00 0.00 H new ATOM 0 HA ILE A 73 0.559 -3.959 3.290 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.145 -5.980 1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.513 -3.754 1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.078 -2.955 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.056 -5.336 3.237 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.784 -6.147 4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.962 -4.378 4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.055 -3.020 -0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.287 -3.984 0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.171 -4.796 -0.270 1.00 0.00 H new ATOM 1161 N LYS A 74 0.810 -5.414 5.301 1.00 0.00 N ATOM 1162 CA LYS A 74 1.024 -6.300 6.481 1.00 0.00 C ATOM 1163 C LYS A 74 -0.237 -7.135 6.722 1.00 0.00 C ATOM 1164 O LYS A 74 -1.056 -7.302 5.840 1.00 0.00 O ATOM 1165 CB LYS A 74 1.316 -5.446 7.716 1.00 0.00 C ATOM 1166 CG LYS A 74 2.731 -5.742 8.218 1.00 0.00 C ATOM 1167 CD LYS A 74 2.666 -6.245 9.660 1.00 0.00 C ATOM 1168 CE LYS A 74 3.442 -7.556 9.780 1.00 0.00 C ATOM 1169 NZ LYS A 74 4.899 -7.286 9.614 1.00 0.00 N ATOM 0 H LYS A 74 0.845 -4.413 5.496 1.00 0.00 H new ATOM 0 HA LYS A 74 1.869 -6.962 6.292 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.219 -4.388 7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.589 -5.660 8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.205 -6.490 7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.344 -4.842 8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.085 -5.499 10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.628 -6.396 9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.254 -8.015 10.751 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.103 -8.263 9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.436 -8.158 9.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.084 -6.962 8.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.195 -6.550 10.287 1.00 0.00 H new