USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 488 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 Single : A 22 GLN : amide:sc= 0.00974 K(o=0.0097,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0198) USER MOD Single : A 36 LYS NZ :NH3+ -125:sc= -1.2! (180deg=-2.59!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.477 USER MOD Single : A 52 THR OG1 : rot -77:sc= 0.422 USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= -0.124 (180deg=-0.583) USER MOD Single : A 54 MET CE :methyl -179:sc= -0.185 (180deg=-0.195) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 60 LYS NZ :NH3+ 150:sc= -0.244 (180deg=-0.834) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.9!) USER MOD Single : A 70 THR OG1 : rot -63:sc= 0.717 USER MOD Single : A 73 LYS NZ :NH3+ -138:sc= -0.394 (180deg=-1.73!) USER MOD Single : A 75 THR OG1 : rot -26:sc= 0.00943 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -129:sc= -1.01 (180deg=-3.18!) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 12 -6.112 6.480 -9.757 1.00 0.00 N ATOM 133 CA GLU A 12 -4.913 6.938 -9.065 1.00 0.00 C ATOM 134 C GLU A 12 -4.862 6.389 -7.642 1.00 0.00 C ATOM 135 O GLU A 12 -4.358 7.045 -6.730 1.00 0.00 O ATOM 136 CB GLU A 12 -4.867 8.467 -9.035 1.00 0.00 C ATOM 137 CG GLU A 12 -4.831 9.102 -10.414 1.00 0.00 C ATOM 138 CD GLU A 12 -3.447 9.078 -11.032 1.00 0.00 C ATOM 139 OE1 GLU A 12 -2.919 7.970 -11.263 1.00 0.00 O ATOM 140 OE2 GLU A 12 -2.892 10.168 -11.285 1.00 0.00 O ATOM 0 HA GLU A 12 -4.046 6.566 -9.611 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.739 8.838 -8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.987 8.785 -8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.526 8.578 -11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.175 10.134 -10.344 1.00 0.00 H new ATOM 147 N ILE A 13 -5.389 5.183 -7.461 1.00 0.00 N ATOM 148 CA ILE A 13 -5.404 4.545 -6.150 1.00 0.00 C ATOM 149 C ILE A 13 -5.205 3.038 -6.270 1.00 0.00 C ATOM 150 O ILE A 13 -5.739 2.401 -7.178 1.00 0.00 O ATOM 151 CB ILE A 13 -6.724 4.820 -5.405 1.00 0.00 C ATOM 152 CG1 ILE A 13 -6.964 6.326 -5.288 1.00 0.00 C ATOM 153 CG2 ILE A 13 -6.699 4.173 -4.028 1.00 0.00 C ATOM 154 CD1 ILE A 13 -8.216 6.680 -4.516 1.00 0.00 C ATOM 0 H ILE A 13 -5.811 4.628 -8.205 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.579 4.974 -5.581 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.544 4.384 -5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.104 6.786 -4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.030 6.754 -6.288 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.638 4.376 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.569 3.096 -4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.872 4.583 -3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.323 7.764 -4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.085 6.249 -5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.144 6.282 -3.504 1.00 0.00 H new ATOM 166 N ILE A 14 -4.435 2.473 -5.346 1.00 0.00 N ATOM 167 CA ILE A 14 -4.168 1.040 -5.346 1.00 0.00 C ATOM 168 C ILE A 14 -4.240 0.467 -3.935 1.00 0.00 C ATOM 169 O ILE A 14 -3.684 1.034 -2.996 1.00 0.00 O ATOM 170 CB ILE A 14 -2.785 0.725 -5.946 1.00 0.00 C ATOM 171 CG1 ILE A 14 -2.437 1.736 -7.040 1.00 0.00 C ATOM 172 CG2 ILE A 14 -2.758 -0.692 -6.499 1.00 0.00 C ATOM 173 CD1 ILE A 14 -0.983 1.701 -7.456 1.00 0.00 C ATOM 0 H ILE A 14 -3.985 2.986 -4.588 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.937 0.576 -5.963 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.037 0.801 -5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.061 1.543 -7.913 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.682 2.738 -6.688 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.774 -0.900 -6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.966 -1.400 -5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.514 -0.793 -7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.809 2.444 -8.235 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.353 1.924 -6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.738 0.710 -7.839 1.00 0.00 H new ATOM 185 N GLU A 15 -4.929 -0.662 -3.795 1.00 0.00 N ATOM 186 CA GLU A 15 -5.072 -1.312 -2.498 1.00 0.00 C ATOM 187 C GLU A 15 -4.368 -2.665 -2.487 1.00 0.00 C ATOM 188 O GLU A 15 -4.322 -3.362 -3.500 1.00 0.00 O ATOM 189 CB GLU A 15 -6.552 -1.492 -2.154 1.00 0.00 C ATOM 190 CG GLU A 15 -6.790 -2.321 -0.903 1.00 0.00 C ATOM 191 CD GLU A 15 -8.263 -2.494 -0.589 1.00 0.00 C ATOM 192 OE1 GLU A 15 -9.093 -1.833 -1.248 1.00 0.00 O ATOM 193 OE2 GLU A 15 -8.587 -3.291 0.317 1.00 0.00 O ATOM 0 H GLU A 15 -5.396 -1.144 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.606 -0.674 -1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.007 -0.511 -2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.057 -1.966 -2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.332 -3.302 -1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.295 -1.845 -0.057 1.00 0.00 H new ATOM 200 N GLY A 16 -3.819 -3.031 -1.332 1.00 0.00 N ATOM 201 CA GLY A 16 -3.123 -4.299 -1.210 1.00 0.00 C ATOM 202 C GLY A 16 -2.817 -4.655 0.231 1.00 0.00 C ATOM 203 O GLY A 16 -2.804 -3.786 1.103 1.00 0.00 O ATOM 0 H GLY A 16 -3.844 -2.472 -0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.730 -5.088 -1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.192 -4.255 -1.776 1.00 0.00 H new ATOM 207 N GLU A 17 -2.571 -5.937 0.483 1.00 0.00 N ATOM 208 CA GLU A 17 -2.266 -6.406 1.830 1.00 0.00 C ATOM 209 C GLU A 17 -0.802 -6.150 2.176 1.00 0.00 C ATOM 210 O GLU A 17 0.097 -6.791 1.633 1.00 0.00 O ATOM 211 CB GLU A 17 -2.578 -7.899 1.957 1.00 0.00 C ATOM 212 CG GLU A 17 -2.179 -8.492 3.298 1.00 0.00 C ATOM 213 CD GLU A 17 -2.357 -9.997 3.346 1.00 0.00 C ATOM 214 OE1 GLU A 17 -2.104 -10.657 2.317 1.00 0.00 O ATOM 215 OE2 GLU A 17 -2.750 -10.514 4.413 1.00 0.00 O ATOM 0 H GLU A 17 -2.577 -6.669 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.890 -5.851 2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.646 -8.053 1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.062 -8.438 1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.137 -8.246 3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.777 -8.034 4.086 1.00 0.00 H new ATOM 222 N VAL A 18 -0.572 -5.207 3.085 1.00 0.00 N ATOM 223 CA VAL A 18 0.782 -4.865 3.505 1.00 0.00 C ATOM 224 C VAL A 18 1.557 -6.109 3.925 1.00 0.00 C ATOM 225 O VAL A 18 1.120 -6.862 4.795 1.00 0.00 O ATOM 226 CB VAL A 18 0.770 -3.862 4.674 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.189 -3.472 5.058 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.050 -2.633 4.312 1.00 0.00 C ATOM 0 H VAL A 18 -1.305 -4.667 3.544 1.00 0.00 H new ATOM 0 HA VAL A 18 1.274 -4.406 2.647 1.00 0.00 H new ATOM 0 HB VAL A 18 0.305 -4.340 5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.160 -2.763 5.885 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.741 -4.361 5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.684 -3.012 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.048 -1.935 5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.384 -2.151 3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.075 -2.931 4.091 1.00 0.00 H new ATOM 238 N VAL A 19 2.712 -6.318 3.301 1.00 0.00 N ATOM 239 CA VAL A 19 3.551 -7.470 3.611 1.00 0.00 C ATOM 240 C VAL A 19 4.812 -7.047 4.357 1.00 0.00 C ATOM 241 O VAL A 19 5.172 -7.641 5.372 1.00 0.00 O ATOM 242 CB VAL A 19 3.954 -8.230 2.334 1.00 0.00 C ATOM 243 CG1 VAL A 19 4.916 -9.360 2.666 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.721 -8.761 1.619 1.00 0.00 C ATOM 0 H VAL A 19 3.088 -5.705 2.578 1.00 0.00 H new ATOM 0 HA VAL A 19 2.961 -8.130 4.247 1.00 0.00 H new ATOM 0 HB VAL A 19 4.463 -7.537 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.190 -9.886 1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.813 -8.950 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.436 -10.056 3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.024 -9.295 0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.182 -9.440 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.072 -7.929 1.346 1.00 0.00 H new ATOM 254 N GLU A 20 5.478 -6.016 3.846 1.00 0.00 N ATOM 255 CA GLU A 20 6.699 -5.514 4.464 1.00 0.00 C ATOM 256 C GLU A 20 6.787 -3.996 4.341 1.00 0.00 C ATOM 257 O GLU A 20 6.483 -3.429 3.291 1.00 0.00 O ATOM 258 CB GLU A 20 7.927 -6.161 3.819 1.00 0.00 C ATOM 259 CG GLU A 20 9.244 -5.564 4.285 1.00 0.00 C ATOM 260 CD GLU A 20 10.446 -6.334 3.774 1.00 0.00 C ATOM 261 OE1 GLU A 20 10.583 -7.524 4.130 1.00 0.00 O ATOM 262 OE2 GLU A 20 11.251 -5.748 3.020 1.00 0.00 O ATOM 0 H GLU A 20 5.192 -5.513 3.006 1.00 0.00 H new ATOM 0 HA GLU A 20 6.673 -5.774 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.923 -7.228 4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.854 -6.059 2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.309 -4.530 3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.265 -5.546 5.375 1.00 0.00 H new ATOM 269 N ILE A 21 7.203 -3.344 5.421 1.00 0.00 N ATOM 270 CA ILE A 21 7.331 -1.892 5.435 1.00 0.00 C ATOM 271 C ILE A 21 8.707 -1.466 5.937 1.00 0.00 C ATOM 272 O ILE A 21 8.937 -1.376 7.142 1.00 0.00 O ATOM 273 CB ILE A 21 6.251 -1.239 6.317 1.00 0.00 C ATOM 274 CG1 ILE A 21 4.857 -1.672 5.858 1.00 0.00 C ATOM 275 CG2 ILE A 21 6.380 0.276 6.279 1.00 0.00 C ATOM 276 CD1 ILE A 21 3.753 -1.259 6.806 1.00 0.00 C ATOM 0 H ILE A 21 7.457 -3.798 6.298 1.00 0.00 H new ATOM 0 HA ILE A 21 7.201 -1.555 4.407 1.00 0.00 H new ATOM 0 HB ILE A 21 6.394 -1.570 7.346 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.659 -1.246 4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.841 -2.756 5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.609 0.723 6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.363 0.567 6.649 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.260 0.626 5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.793 -1.599 6.417 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.927 -1.707 7.784 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.742 -0.173 6.901 1.00 0.00 H new ATOM 288 N GLN A 22 9.616 -1.204 5.003 1.00 0.00 N ATOM 289 CA GLN A 22 10.969 -0.786 5.352 1.00 0.00 C ATOM 290 C GLN A 22 11.058 0.733 5.462 1.00 0.00 C ATOM 291 O GLN A 22 10.467 1.458 4.662 1.00 0.00 O ATOM 292 CB GLN A 22 11.967 -1.293 4.309 1.00 0.00 C ATOM 293 CG GLN A 22 13.398 -0.851 4.571 1.00 0.00 C ATOM 294 CD GLN A 22 13.988 -1.491 5.812 1.00 0.00 C ATOM 295 OE1 GLN A 22 14.082 -0.859 6.865 1.00 0.00 O ATOM 296 NE2 GLN A 22 14.389 -2.751 5.695 1.00 0.00 N ATOM 0 H GLN A 22 9.441 -1.274 4.001 1.00 0.00 H new ATOM 0 HA GLN A 22 11.217 -1.217 6.322 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.931 -2.382 4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.661 -0.940 3.324 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.016 -1.102 3.709 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.426 0.233 4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.292 -3.236 4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.794 -3.234 6.497 1.00 0.00 H new ATOM 305 N ILE A 23 11.800 1.206 6.457 1.00 0.00 N ATOM 306 CA ILE A 23 11.967 2.638 6.671 1.00 0.00 C ATOM 307 C ILE A 23 13.432 2.992 6.906 1.00 0.00 C ATOM 308 O ILE A 23 13.939 2.871 8.022 1.00 0.00 O ATOM 309 CB ILE A 23 11.133 3.130 7.868 1.00 0.00 C ATOM 310 CG1 ILE A 23 9.640 2.954 7.584 1.00 0.00 C ATOM 311 CG2 ILE A 23 11.451 4.586 8.174 1.00 0.00 C ATOM 312 CD1 ILE A 23 9.129 3.834 6.465 1.00 0.00 C ATOM 0 H ILE A 23 12.295 0.619 7.128 1.00 0.00 H new ATOM 0 HA ILE A 23 11.616 3.135 5.766 1.00 0.00 H new ATOM 0 HB ILE A 23 11.391 2.531 8.741 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.447 1.911 7.332 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.078 3.172 8.492 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.853 4.918 9.023 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.509 4.684 8.415 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.219 5.200 7.304 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.064 3.656 6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.290 4.881 6.723 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.665 3.601 5.545 1.00 0.00 H new ATOM 437 N LYS A 33 12.950 11.802 4.081 1.00 0.00 N ATOM 438 CA LYS A 33 12.835 10.411 4.504 1.00 0.00 C ATOM 439 C LYS A 33 12.516 9.507 3.318 1.00 0.00 C ATOM 440 O LYS A 33 12.038 9.969 2.282 1.00 0.00 O ATOM 441 CB LYS A 33 11.749 10.270 5.573 1.00 0.00 C ATOM 442 CG LYS A 33 12.241 10.555 6.981 1.00 0.00 C ATOM 443 CD LYS A 33 11.223 10.128 8.025 1.00 0.00 C ATOM 444 CE LYS A 33 11.862 9.972 9.396 1.00 0.00 C ATOM 445 NZ LYS A 33 12.640 8.707 9.504 1.00 0.00 N ATOM 0 HA LYS A 33 13.793 10.105 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.930 10.950 5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.344 9.259 5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.181 10.030 7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.447 11.620 7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.423 10.866 8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.767 9.184 7.725 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.519 10.820 9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.087 9.988 10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.975 8.588 10.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.033 7.903 9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.456 8.746 8.861 1.00 0.00 H new ATOM 459 N VAL A 34 12.784 8.214 3.476 1.00 0.00 N ATOM 460 CA VAL A 34 12.523 7.244 2.420 1.00 0.00 C ATOM 461 C VAL A 34 12.175 5.878 3.001 1.00 0.00 C ATOM 462 O VAL A 34 12.575 5.547 4.116 1.00 0.00 O ATOM 463 CB VAL A 34 13.735 7.097 1.481 1.00 0.00 C ATOM 464 CG1 VAL A 34 14.212 8.461 1.007 1.00 0.00 C ATOM 465 CG2 VAL A 34 14.859 6.343 2.177 1.00 0.00 C ATOM 0 H VAL A 34 13.182 7.815 4.326 1.00 0.00 H new ATOM 0 HA VAL A 34 11.674 7.619 1.849 1.00 0.00 H new ATOM 0 HB VAL A 34 13.428 6.522 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.069 8.337 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.407 8.961 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.503 9.064 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.708 6.248 1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.166 6.889 3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.509 5.351 2.462 1.00 0.00 H new ATOM 475 N GLY A 35 11.428 5.088 2.236 1.00 0.00 N ATOM 476 CA GLY A 35 11.039 3.766 2.692 1.00 0.00 C ATOM 477 C GLY A 35 10.593 2.869 1.554 1.00 0.00 C ATOM 478 O GLY A 35 10.405 3.328 0.428 1.00 0.00 O ATOM 0 H GLY A 35 11.085 5.340 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.879 3.302 3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.230 3.858 3.417 1.00 0.00 H new ATOM 482 N LYS A 36 10.423 1.584 1.848 1.00 0.00 N ATOM 483 CA LYS A 36 9.996 0.619 0.843 1.00 0.00 C ATOM 484 C LYS A 36 8.816 -0.206 1.346 1.00 0.00 C ATOM 485 O LYS A 36 8.922 -0.912 2.350 1.00 0.00 O ATOM 486 CB LYS A 36 11.156 -0.307 0.469 1.00 0.00 C ATOM 487 CG LYS A 36 11.998 0.209 -0.685 1.00 0.00 C ATOM 488 CD LYS A 36 12.676 -0.928 -1.431 1.00 0.00 C ATOM 489 CE LYS A 36 11.714 -1.623 -2.381 1.00 0.00 C ATOM 490 NZ LYS A 36 12.424 -2.248 -3.531 1.00 0.00 N ATOM 0 H LYS A 36 10.575 1.187 2.775 1.00 0.00 H new ATOM 0 HA LYS A 36 9.680 1.171 -0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.795 -0.445 1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.758 -1.287 0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.368 0.773 -1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.753 0.898 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.526 -0.540 -1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.069 -1.651 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.157 -2.388 -1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.986 -0.902 -2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.020 -1.895 -4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.434 -2.005 -3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.314 -3.281 -3.487 1.00 0.00 H new ATOM 504 N LEU A 37 7.692 -0.113 0.644 1.00 0.00 N ATOM 505 CA LEU A 37 6.492 -0.852 1.019 1.00 0.00 C ATOM 506 C LEU A 37 6.180 -1.939 -0.004 1.00 0.00 C ATOM 507 O LEU A 37 6.305 -1.727 -1.211 1.00 0.00 O ATOM 508 CB LEU A 37 5.302 0.101 1.147 1.00 0.00 C ATOM 509 CG LEU A 37 3.918 -0.550 1.148 1.00 0.00 C ATOM 510 CD1 LEU A 37 3.492 -0.895 2.567 1.00 0.00 C ATOM 511 CD2 LEU A 37 2.897 0.366 0.490 1.00 0.00 C ATOM 0 H LEU A 37 7.587 0.467 -0.188 1.00 0.00 H new ATOM 0 HA LEU A 37 6.674 -1.328 1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.415 0.669 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.345 0.816 0.325 1.00 0.00 H new ATOM 0 HG LEU A 37 3.971 -1.474 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.505 -1.357 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.210 -1.589 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.456 0.014 3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.918 -0.114 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.846 1.307 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.195 0.562 -0.540 1.00 0.00 H new ATOM 523 N THR A 38 5.771 -3.106 0.485 1.00 0.00 N ATOM 524 CA THR A 38 5.440 -4.226 -0.385 1.00 0.00 C ATOM 525 C THR A 38 4.061 -4.788 -0.058 1.00 0.00 C ATOM 526 O THR A 38 3.800 -5.203 1.072 1.00 0.00 O ATOM 527 CB THR A 38 6.482 -5.355 -0.270 1.00 0.00 C ATOM 528 OG1 THR A 38 7.793 -4.839 -0.525 1.00 0.00 O ATOM 529 CG2 THR A 38 6.174 -6.478 -1.249 1.00 0.00 C ATOM 0 H THR A 38 5.661 -3.299 1.481 1.00 0.00 H new ATOM 0 HA THR A 38 5.441 -3.843 -1.406 1.00 0.00 H new ATOM 0 HB THR A 38 6.440 -5.756 0.743 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.450 -5.562 -0.448 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.923 -7.263 -1.149 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.187 -6.888 -1.033 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.190 -6.088 -2.267 1.00 0.00 H new ATOM 537 N LEU A 39 3.181 -4.800 -1.053 1.00 0.00 N ATOM 538 CA LEU A 39 1.827 -5.312 -0.871 1.00 0.00 C ATOM 539 C LEU A 39 1.606 -6.573 -1.701 1.00 0.00 C ATOM 540 O LEU A 39 2.029 -6.652 -2.855 1.00 0.00 O ATOM 541 CB LEU A 39 0.801 -4.246 -1.258 1.00 0.00 C ATOM 542 CG LEU A 39 0.320 -3.336 -0.128 1.00 0.00 C ATOM 543 CD1 LEU A 39 1.504 -2.725 0.605 1.00 0.00 C ATOM 544 CD2 LEU A 39 -0.592 -2.246 -0.672 1.00 0.00 C ATOM 0 H LEU A 39 3.381 -4.461 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 39 1.699 -5.565 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.232 -3.622 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.066 -4.745 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.249 -3.938 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.143 -2.080 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.119 -3.519 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.100 -2.137 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.925 -1.608 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.047 -1.646 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.458 -2.702 -1.152 1.00 0.00 H new ATOM 556 N LYS A 40 0.938 -7.556 -1.108 1.00 0.00 N ATOM 557 CA LYS A 40 0.656 -8.813 -1.792 1.00 0.00 C ATOM 558 C LYS A 40 -0.677 -8.743 -2.530 1.00 0.00 C ATOM 559 O LYS A 40 -1.741 -8.885 -1.927 1.00 0.00 O ATOM 560 CB LYS A 40 0.637 -9.970 -0.791 1.00 0.00 C ATOM 561 CG LYS A 40 0.455 -11.331 -1.438 1.00 0.00 C ATOM 562 CD LYS A 40 0.715 -12.457 -0.451 1.00 0.00 C ATOM 563 CE LYS A 40 2.200 -12.613 -0.162 1.00 0.00 C ATOM 564 NZ LYS A 40 2.503 -13.909 0.506 1.00 0.00 N ATOM 0 H LYS A 40 0.581 -7.507 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 40 1.447 -8.986 -2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.570 -9.967 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.169 -9.807 -0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.559 -11.416 -1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.133 -11.425 -2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.181 -12.258 0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.321 -13.391 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.760 -12.546 -1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.535 -11.791 0.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.525 -13.976 0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.989 -13.963 1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.207 -14.694 -0.109 1.00 0.00 H new ATOM 621 N MET A 44 0.129 -11.857 -7.075 1.00 0.00 N ATOM 622 CA MET A 44 1.153 -10.925 -7.532 1.00 0.00 C ATOM 623 C MET A 44 1.592 -10.001 -6.400 1.00 0.00 C ATOM 624 O MET A 44 0.784 -9.609 -5.559 1.00 0.00 O ATOM 625 CB MET A 44 0.632 -10.097 -8.708 1.00 0.00 C ATOM 626 CG MET A 44 1.295 -8.735 -8.834 1.00 0.00 C ATOM 627 SD MET A 44 3.008 -8.845 -9.385 1.00 0.00 S ATOM 628 CE MET A 44 3.167 -7.317 -10.305 1.00 0.00 C ATOM 0 HA MET A 44 2.016 -11.505 -7.859 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.788 -10.655 -9.632 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.444 -9.959 -8.596 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.730 -8.124 -9.537 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.259 -8.227 -7.870 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.176 -7.239 -10.710 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.446 -7.308 -11.123 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.976 -6.472 -9.643 1.00 0.00 H new ATOM 638 N GLU A 45 2.876 -9.659 -6.385 1.00 0.00 N ATOM 639 CA GLU A 45 3.421 -8.783 -5.355 1.00 0.00 C ATOM 640 C GLU A 45 3.945 -7.486 -5.965 1.00 0.00 C ATOM 641 O GLU A 45 4.587 -7.495 -7.016 1.00 0.00 O ATOM 642 CB GLU A 45 4.543 -9.491 -4.593 1.00 0.00 C ATOM 643 CG GLU A 45 4.054 -10.611 -3.691 1.00 0.00 C ATOM 644 CD GLU A 45 3.706 -11.870 -4.460 1.00 0.00 C ATOM 645 OE1 GLU A 45 4.598 -12.411 -5.146 1.00 0.00 O ATOM 646 OE2 GLU A 45 2.541 -12.314 -4.378 1.00 0.00 O ATOM 0 H GLU A 45 3.558 -9.975 -7.074 1.00 0.00 H new ATOM 0 HA GLU A 45 2.618 -8.539 -4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.256 -9.898 -5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.080 -8.758 -3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.824 -10.841 -2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.177 -10.272 -3.140 1.00 0.00 H new ATOM 653 N THR A 46 3.666 -6.370 -5.298 1.00 0.00 N ATOM 654 CA THR A 46 4.107 -5.065 -5.774 1.00 0.00 C ATOM 655 C THR A 46 4.986 -4.371 -4.740 1.00 0.00 C ATOM 656 O THR A 46 4.850 -4.605 -3.539 1.00 0.00 O ATOM 657 CB THR A 46 2.910 -4.155 -6.108 1.00 0.00 C ATOM 658 OG1 THR A 46 2.013 -4.831 -6.996 1.00 0.00 O ATOM 659 CG2 THR A 46 3.379 -2.855 -6.745 1.00 0.00 C ATOM 0 H THR A 46 3.137 -6.344 -4.427 1.00 0.00 H new ATOM 0 HA THR A 46 4.686 -5.238 -6.681 1.00 0.00 H new ATOM 0 HB THR A 46 2.391 -3.919 -5.179 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.254 -4.246 -7.202 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.516 -2.229 -6.972 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.038 -2.328 -6.054 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.920 -3.075 -7.666 1.00 0.00 H new ATOM 667 N ILE A 47 5.887 -3.516 -5.214 1.00 0.00 N ATOM 668 CA ILE A 47 6.787 -2.787 -4.330 1.00 0.00 C ATOM 669 C ILE A 47 6.659 -1.281 -4.536 1.00 0.00 C ATOM 670 O ILE A 47 7.156 -0.735 -5.521 1.00 0.00 O ATOM 671 CB ILE A 47 8.253 -3.202 -4.551 1.00 0.00 C ATOM 672 CG1 ILE A 47 8.428 -4.699 -4.287 1.00 0.00 C ATOM 673 CG2 ILE A 47 9.175 -2.389 -3.655 1.00 0.00 C ATOM 674 CD1 ILE A 47 8.178 -5.561 -5.505 1.00 0.00 C ATOM 0 H ILE A 47 6.012 -3.312 -6.205 1.00 0.00 H new ATOM 0 HA ILE A 47 6.498 -3.038 -3.309 1.00 0.00 H new ATOM 0 HB ILE A 47 8.519 -3.002 -5.589 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.440 -4.880 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.747 -5.002 -3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.208 -2.694 -3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.067 -1.330 -3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.912 -2.560 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.320 -6.610 -5.244 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.157 -5.409 -5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.877 -5.286 -6.295 1.00 0.00 H new ATOM 686 N TYR A 48 5.993 -0.616 -3.599 1.00 0.00 N ATOM 687 CA TYR A 48 5.800 0.827 -3.678 1.00 0.00 C ATOM 688 C TYR A 48 6.907 1.566 -2.933 1.00 0.00 C ATOM 689 O TYR A 48 7.318 1.160 -1.846 1.00 0.00 O ATOM 690 CB TYR A 48 4.437 1.212 -3.101 1.00 0.00 C ATOM 691 CG TYR A 48 3.276 0.509 -3.767 1.00 0.00 C ATOM 692 CD1 TYR A 48 2.827 0.903 -5.022 1.00 0.00 C ATOM 693 CD2 TYR A 48 2.628 -0.550 -3.143 1.00 0.00 C ATOM 694 CE1 TYR A 48 1.766 0.264 -5.634 1.00 0.00 C ATOM 695 CE2 TYR A 48 1.568 -1.196 -3.748 1.00 0.00 C ATOM 696 CZ TYR A 48 1.141 -0.786 -4.994 1.00 0.00 C ATOM 697 OH TYR A 48 0.084 -1.426 -5.600 1.00 0.00 O ATOM 0 H TYR A 48 5.578 -1.053 -2.776 1.00 0.00 H new ATOM 0 HA TYR A 48 5.838 1.116 -4.728 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.426 0.984 -2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.302 2.289 -3.198 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.316 1.723 -5.527 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.959 -0.874 -2.167 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.428 0.585 -6.608 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.076 -2.018 -3.249 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.242 -2.143 -5.017 1.00 0.00 H new ATOM 707 N ASP A 49 7.385 2.655 -3.526 1.00 0.00 N ATOM 708 CA ASP A 49 8.444 3.454 -2.920 1.00 0.00 C ATOM 709 C ASP A 49 7.861 4.501 -1.976 1.00 0.00 C ATOM 710 O ASP A 49 7.076 5.356 -2.389 1.00 0.00 O ATOM 711 CB ASP A 49 9.283 4.134 -4.003 1.00 0.00 C ATOM 712 CG ASP A 49 8.454 5.040 -4.892 1.00 0.00 C ATOM 713 OD1 ASP A 49 7.332 4.640 -5.267 1.00 0.00 O ATOM 714 OD2 ASP A 49 8.928 6.150 -5.213 1.00 0.00 O ATOM 0 H ASP A 49 7.056 3.005 -4.426 1.00 0.00 H new ATOM 0 HA ASP A 49 9.084 2.787 -2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.075 4.717 -3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.767 3.373 -4.615 1.00 0.00 H new ATOM 719 N LEU A 50 8.250 4.429 -0.708 1.00 0.00 N ATOM 720 CA LEU A 50 7.766 5.371 0.295 1.00 0.00 C ATOM 721 C LEU A 50 8.667 6.600 0.368 1.00 0.00 C ATOM 722 O LEU A 50 9.841 6.544 0.005 1.00 0.00 O ATOM 723 CB LEU A 50 7.694 4.695 1.665 1.00 0.00 C ATOM 724 CG LEU A 50 6.901 3.389 1.729 1.00 0.00 C ATOM 725 CD1 LEU A 50 6.863 2.857 3.153 1.00 0.00 C ATOM 726 CD2 LEU A 50 5.491 3.596 1.196 1.00 0.00 C ATOM 0 H LEU A 50 8.899 3.728 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 50 6.767 5.693 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.711 4.496 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.255 5.398 2.372 1.00 0.00 H new ATOM 0 HG LEU A 50 7.400 2.651 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.295 1.927 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.880 2.670 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.388 3.591 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.941 2.657 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.982 4.349 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.539 3.931 0.160 1.00 0.00 H new ATOM 738 N GLY A 51 8.109 7.709 0.843 1.00 0.00 N ATOM 739 CA GLY A 51 8.876 8.936 0.958 1.00 0.00 C ATOM 740 C GLY A 51 8.817 9.529 2.351 1.00 0.00 C ATOM 741 O GLY A 51 9.086 8.844 3.339 1.00 0.00 O ATOM 0 H GLY A 51 7.139 7.780 1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.915 8.737 0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.499 9.665 0.240 1.00 0.00 H new ATOM 745 N THR A 52 8.465 10.808 2.434 1.00 0.00 N ATOM 746 CA THR A 52 8.374 11.495 3.716 1.00 0.00 C ATOM 747 C THR A 52 6.925 11.621 4.171 1.00 0.00 C ATOM 748 O THR A 52 6.614 11.441 5.349 1.00 0.00 O ATOM 749 CB THR A 52 9.002 12.900 3.647 1.00 0.00 C ATOM 750 OG1 THR A 52 10.231 12.851 2.913 1.00 0.00 O ATOM 751 CG2 THR A 52 9.261 13.446 5.043 1.00 0.00 C ATOM 0 H THR A 52 8.238 11.390 1.627 1.00 0.00 H new ATOM 0 HA THR A 52 8.927 10.893 4.436 1.00 0.00 H new ATOM 0 HB THR A 52 8.302 13.563 3.139 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.936 12.474 3.480 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.705 14.439 4.969 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.320 13.509 5.589 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.944 12.782 5.572 1.00 0.00 H new ATOM 759 N LYS A 53 6.039 11.929 3.230 1.00 0.00 N ATOM 760 CA LYS A 53 4.620 12.077 3.533 1.00 0.00 C ATOM 761 C LYS A 53 3.963 10.716 3.738 1.00 0.00 C ATOM 762 O LYS A 53 3.189 10.526 4.676 1.00 0.00 O ATOM 763 CB LYS A 53 3.913 12.832 2.405 1.00 0.00 C ATOM 764 CG LYS A 53 3.945 14.342 2.569 1.00 0.00 C ATOM 765 CD LYS A 53 3.824 15.051 1.231 1.00 0.00 C ATOM 766 CE LYS A 53 2.380 15.106 0.758 1.00 0.00 C ATOM 767 NZ LYS A 53 1.527 15.916 1.671 1.00 0.00 N ATOM 0 H LYS A 53 6.279 12.081 2.250 1.00 0.00 H new ATOM 0 HA LYS A 53 4.529 12.648 4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.379 12.568 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.875 12.503 2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.131 14.655 3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.875 14.636 3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.218 16.063 1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.432 14.535 0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.343 15.530 -0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.981 14.094 0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.691 16.257 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.222 15.329 2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.071 16.729 2.024 1.00 0.00 H new ATOM 781 N MET A 54 4.277 9.773 2.857 1.00 0.00 N ATOM 782 CA MET A 54 3.719 8.429 2.944 1.00 0.00 C ATOM 783 C MET A 54 3.962 7.828 4.324 1.00 0.00 C ATOM 784 O MET A 54 3.070 7.214 4.910 1.00 0.00 O ATOM 785 CB MET A 54 4.329 7.529 1.868 1.00 0.00 C ATOM 786 CG MET A 54 3.844 7.847 0.463 1.00 0.00 C ATOM 787 SD MET A 54 3.867 6.408 -0.623 1.00 0.00 S ATOM 788 CE MET A 54 2.590 6.849 -1.798 1.00 0.00 C ATOM 0 H MET A 54 4.915 9.915 2.074 1.00 0.00 H new ATOM 0 HA MET A 54 2.643 8.498 2.782 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.414 7.624 1.899 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.093 6.490 2.098 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.830 8.242 0.514 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.470 8.630 0.035 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.473 6.047 -2.526 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.648 7.001 -1.271 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.871 7.768 -2.313 1.00 0.00 H new ATOM 798 N ILE A 55 5.175 8.008 4.838 1.00 0.00 N ATOM 799 CA ILE A 55 5.534 7.484 6.150 1.00 0.00 C ATOM 800 C ILE A 55 4.682 8.115 7.246 1.00 0.00 C ATOM 801 O ILE A 55 4.123 7.415 8.090 1.00 0.00 O ATOM 802 CB ILE A 55 7.021 7.729 6.466 1.00 0.00 C ATOM 803 CG1 ILE A 55 7.907 7.003 5.451 1.00 0.00 C ATOM 804 CG2 ILE A 55 7.344 7.272 7.881 1.00 0.00 C ATOM 805 CD1 ILE A 55 9.384 7.273 5.636 1.00 0.00 C ATOM 0 H ILE A 55 5.925 8.513 4.366 1.00 0.00 H new ATOM 0 HA ILE A 55 5.349 6.410 6.122 1.00 0.00 H new ATOM 0 HB ILE A 55 7.221 8.798 6.396 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.730 5.930 5.528 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.614 7.303 4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.399 7.452 8.090 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.734 7.829 8.592 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.131 6.207 7.977 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.951 6.726 4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.575 8.341 5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.692 6.947 6.629 1.00 0.00 H new ATOM 817 N GLU A 56 4.587 9.440 7.225 1.00 0.00 N ATOM 818 CA GLU A 56 3.801 10.165 8.217 1.00 0.00 C ATOM 819 C GLU A 56 2.470 9.465 8.474 1.00 0.00 C ATOM 820 O GLU A 56 1.909 9.557 9.566 1.00 0.00 O ATOM 821 CB GLU A 56 3.554 11.602 7.753 1.00 0.00 C ATOM 822 CG GLU A 56 4.723 12.536 8.015 1.00 0.00 C ATOM 823 CD GLU A 56 4.296 13.987 8.133 1.00 0.00 C ATOM 824 OE1 GLU A 56 3.955 14.591 7.095 1.00 0.00 O ATOM 825 OE2 GLU A 56 4.303 14.517 9.263 1.00 0.00 O ATOM 0 H GLU A 56 5.044 10.034 6.533 1.00 0.00 H new ATOM 0 HA GLU A 56 4.367 10.184 9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.336 11.597 6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.669 11.991 8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.226 12.233 8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.449 12.439 7.207 1.00 0.00 H new ATOM 832 N SER A 57 1.970 8.766 7.460 1.00 0.00 N ATOM 833 CA SER A 57 0.702 8.054 7.573 1.00 0.00 C ATOM 834 C SER A 57 0.908 6.674 8.190 1.00 0.00 C ATOM 835 O SER A 57 0.086 6.204 8.978 1.00 0.00 O ATOM 836 CB SER A 57 0.045 7.919 6.199 1.00 0.00 C ATOM 837 OG SER A 57 -0.509 9.152 5.774 1.00 0.00 O ATOM 0 H SER A 57 2.424 8.677 6.551 1.00 0.00 H new ATOM 0 HA SER A 57 0.046 8.630 8.226 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.782 7.578 5.472 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.737 7.160 6.239 1.00 0.00 H new ATOM 0 HG SER A 57 -0.921 9.039 4.892 1.00 0.00 H new ATOM 843 N LEU A 58 2.011 6.029 7.826 1.00 0.00 N ATOM 844 CA LEU A 58 2.327 4.702 8.342 1.00 0.00 C ATOM 845 C LEU A 58 2.740 4.772 9.809 1.00 0.00 C ATOM 846 O LEU A 58 2.656 3.782 10.537 1.00 0.00 O ATOM 847 CB LEU A 58 3.445 4.064 7.516 1.00 0.00 C ATOM 848 CG LEU A 58 3.158 3.883 6.025 1.00 0.00 C ATOM 849 CD1 LEU A 58 3.926 2.692 5.474 1.00 0.00 C ATOM 850 CD2 LEU A 58 1.665 3.714 5.786 1.00 0.00 C ATOM 0 H LEU A 58 2.701 6.404 7.175 1.00 0.00 H new ATOM 0 HA LEU A 58 1.430 4.087 8.265 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.341 4.675 7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.673 3.087 7.943 1.00 0.00 H new ATOM 0 HG LEU A 58 3.491 4.778 5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.709 2.579 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.995 2.854 5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.625 1.788 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.479 3.586 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.307 2.836 6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.137 4.598 6.143 1.00 0.00 H new ATOM 862 N THR A 59 3.183 5.950 10.238 1.00 0.00 N ATOM 863 CA THR A 59 3.608 6.150 11.617 1.00 0.00 C ATOM 864 C THR A 59 2.445 6.611 12.489 1.00 0.00 C ATOM 865 O THR A 59 2.209 6.065 13.567 1.00 0.00 O ATOM 866 CB THR A 59 4.745 7.184 11.710 1.00 0.00 C ATOM 867 OG1 THR A 59 4.458 8.306 10.868 1.00 0.00 O ATOM 868 CG2 THR A 59 6.074 6.565 11.303 1.00 0.00 C ATOM 0 H THR A 59 3.257 6.780 9.649 1.00 0.00 H new ATOM 0 HA THR A 59 3.971 5.188 11.978 1.00 0.00 H new ATOM 0 HB THR A 59 4.819 7.517 12.745 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.185 8.959 10.934 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.862 7.314 11.377 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.304 5.730 11.965 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.009 6.207 10.276 1.00 0.00 H new ATOM 876 N LYS A 60 1.720 7.618 12.016 1.00 0.00 N ATOM 877 CA LYS A 60 0.579 8.152 12.751 1.00 0.00 C ATOM 878 C LYS A 60 -0.377 7.036 13.157 1.00 0.00 C ATOM 879 O LYS A 60 -1.058 7.130 14.178 1.00 0.00 O ATOM 880 CB LYS A 60 -0.161 9.188 11.902 1.00 0.00 C ATOM 881 CG LYS A 60 -1.555 9.509 12.412 1.00 0.00 C ATOM 882 CD LYS A 60 -2.585 8.532 11.871 1.00 0.00 C ATOM 883 CE LYS A 60 -3.957 9.177 11.751 1.00 0.00 C ATOM 884 NZ LYS A 60 -3.947 10.329 10.807 1.00 0.00 N ATOM 0 H LYS A 60 1.902 8.082 11.126 1.00 0.00 H new ATOM 0 HA LYS A 60 0.954 8.632 13.655 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.426 10.106 11.871 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.233 8.821 10.878 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.561 9.479 13.502 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.826 10.524 12.120 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.266 8.169 10.894 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.646 7.665 12.529 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.679 8.435 11.411 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.287 9.515 12.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.882 10.420 10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.725 11.202 11.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.227 10.171 10.073 1.00 0.00 H new ATOM 898 N ASP A 61 -0.422 5.979 12.352 1.00 0.00 N ATOM 899 CA ASP A 61 -1.293 4.843 12.630 1.00 0.00 C ATOM 900 C ASP A 61 -0.475 3.603 12.974 1.00 0.00 C ATOM 901 O ASP A 61 -1.014 2.601 13.444 1.00 0.00 O ATOM 902 CB ASP A 61 -2.193 4.558 11.427 1.00 0.00 C ATOM 903 CG ASP A 61 -3.473 5.371 11.455 1.00 0.00 C ATOM 904 OD1 ASP A 61 -3.953 5.682 12.565 1.00 0.00 O ATOM 905 OD2 ASP A 61 -3.994 5.696 10.368 1.00 0.00 O ATOM 0 H ASP A 61 0.134 5.886 11.502 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.916 5.095 13.488 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.647 4.777 10.509 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.441 3.497 11.406 1.00 0.00 H new ATOM 910 N LYS A 62 0.830 3.676 12.735 1.00 0.00 N ATOM 911 CA LYS A 62 1.724 2.560 13.020 1.00 0.00 C ATOM 912 C LYS A 62 1.378 1.351 12.156 1.00 0.00 C ATOM 913 O LYS A 62 1.435 0.210 12.615 1.00 0.00 O ATOM 914 CB LYS A 62 1.645 2.181 14.500 1.00 0.00 C ATOM 915 CG LYS A 62 1.845 3.357 15.441 1.00 0.00 C ATOM 916 CD LYS A 62 0.530 4.057 15.744 1.00 0.00 C ATOM 917 CE LYS A 62 0.591 4.809 17.064 1.00 0.00 C ATOM 918 NZ LYS A 62 -0.758 5.252 17.514 1.00 0.00 N ATOM 0 H LYS A 62 1.292 4.497 12.344 1.00 0.00 H new ATOM 0 HA LYS A 62 2.741 2.873 12.785 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.674 1.728 14.699 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.399 1.424 14.713 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.296 3.008 16.370 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.542 4.067 14.995 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.292 4.752 14.939 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.275 3.323 15.779 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.036 4.169 17.826 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.241 5.677 16.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.673 5.761 18.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.173 5.883 16.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.372 4.422 17.641 1.00 0.00 H new ATOM 932 N VAL A 63 1.020 1.609 10.902 1.00 0.00 N ATOM 933 CA VAL A 63 0.667 0.542 9.973 1.00 0.00 C ATOM 934 C VAL A 63 1.687 -0.590 10.023 1.00 0.00 C ATOM 935 O VAL A 63 2.892 -0.349 10.085 1.00 0.00 O ATOM 936 CB VAL A 63 0.567 1.066 8.528 1.00 0.00 C ATOM 937 CG1 VAL A 63 0.287 -0.076 7.564 1.00 0.00 C ATOM 938 CG2 VAL A 63 -0.506 2.139 8.423 1.00 0.00 C ATOM 0 H VAL A 63 0.967 2.548 10.506 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.307 0.163 10.282 1.00 0.00 H new ATOM 0 HB VAL A 63 1.523 1.513 8.256 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.220 0.314 6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.095 -0.806 7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.654 -0.556 7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.563 2.498 7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.469 1.720 8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.256 2.969 9.084 1.00 0.00 H new ATOM 948 N GLN A 64 1.195 -1.824 9.994 1.00 0.00 N ATOM 949 CA GLN A 64 2.065 -2.994 10.036 1.00 0.00 C ATOM 950 C GLN A 64 1.548 -4.090 9.110 1.00 0.00 C ATOM 951 O GLN A 64 0.394 -4.062 8.683 1.00 0.00 O ATOM 952 CB GLN A 64 2.170 -3.526 11.466 1.00 0.00 C ATOM 953 CG GLN A 64 2.959 -2.618 12.396 1.00 0.00 C ATOM 954 CD GLN A 64 4.450 -2.887 12.348 1.00 0.00 C ATOM 955 OE1 GLN A 64 4.885 -3.974 11.965 1.00 0.00 O ATOM 956 NE2 GLN A 64 5.244 -1.896 12.737 1.00 0.00 N ATOM 0 H GLN A 64 0.199 -2.040 9.942 1.00 0.00 H new ATOM 0 HA GLN A 64 3.055 -2.692 9.694 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.166 -3.662 11.869 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.641 -4.509 11.446 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.772 -1.578 12.127 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.602 -2.752 13.417 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.841 -1.012 13.047 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.256 -2.019 12.726 1.00 0.00 H new ATOM 965 N ALA A 65 2.410 -5.054 8.803 1.00 0.00 N ATOM 966 CA ALA A 65 2.040 -6.160 7.929 1.00 0.00 C ATOM 967 C ALA A 65 0.766 -6.842 8.416 1.00 0.00 C ATOM 968 O ALA A 65 0.580 -7.047 9.615 1.00 0.00 O ATOM 969 CB ALA A 65 3.179 -7.165 7.840 1.00 0.00 C ATOM 0 H ALA A 65 3.370 -5.091 9.147 1.00 0.00 H new ATOM 0 HA ALA A 65 1.847 -5.757 6.935 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.889 -7.986 7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.066 -6.675 7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.399 -7.555 8.834 1.00 0.00 H new ATOM 975 N GLY A 66 -0.108 -7.192 7.478 1.00 0.00 N ATOM 976 CA GLY A 66 -1.354 -7.847 7.832 1.00 0.00 C ATOM 977 C GLY A 66 -2.567 -6.992 7.523 1.00 0.00 C ATOM 978 O GLY A 66 -3.612 -7.506 7.125 1.00 0.00 O ATOM 0 H GLY A 66 0.024 -7.034 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.431 -8.790 7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.345 -8.088 8.895 1.00 0.00 H new ATOM 982 N ASP A 67 -2.429 -5.684 7.708 1.00 0.00 N ATOM 983 CA ASP A 67 -3.522 -4.755 7.447 1.00 0.00 C ATOM 984 C ASP A 67 -3.466 -4.239 6.013 1.00 0.00 C ATOM 985 O ASP A 67 -2.409 -3.835 5.528 1.00 0.00 O ATOM 986 CB ASP A 67 -3.469 -3.582 8.427 1.00 0.00 C ATOM 987 CG ASP A 67 -4.241 -3.857 9.702 1.00 0.00 C ATOM 988 OD1 ASP A 67 -3.694 -4.542 10.591 1.00 0.00 O ATOM 989 OD2 ASP A 67 -5.394 -3.388 9.811 1.00 0.00 O ATOM 0 H ASP A 67 -1.571 -5.243 8.038 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.461 -5.291 7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.430 -3.366 8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.874 -2.692 7.946 1.00 0.00 H new ATOM 994 N VAL A 68 -4.611 -4.256 5.338 1.00 0.00 N ATOM 995 CA VAL A 68 -4.692 -3.789 3.959 1.00 0.00 C ATOM 996 C VAL A 68 -4.768 -2.268 3.897 1.00 0.00 C ATOM 997 O VAL A 68 -5.756 -1.668 4.323 1.00 0.00 O ATOM 998 CB VAL A 68 -5.916 -4.383 3.236 1.00 0.00 C ATOM 999 CG1 VAL A 68 -6.059 -3.784 1.846 1.00 0.00 C ATOM 1000 CG2 VAL A 68 -5.808 -5.899 3.164 1.00 0.00 C ATOM 0 H VAL A 68 -5.495 -4.588 5.724 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.784 -4.125 3.458 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.810 -4.132 3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.929 -4.216 1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.186 -2.704 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.165 -4.001 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.681 -6.302 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.906 -6.174 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.760 -6.309 4.173 1.00 0.00 H new ATOM 1010 N ILE A 69 -3.720 -1.650 3.363 1.00 0.00 N ATOM 1011 CA ILE A 69 -3.669 -0.198 3.244 1.00 0.00 C ATOM 1012 C ILE A 69 -3.788 0.239 1.788 1.00 0.00 C ATOM 1013 O ILE A 69 -3.464 -0.518 0.872 1.00 0.00 O ATOM 1014 CB ILE A 69 -2.363 0.370 3.833 1.00 0.00 C ATOM 1015 CG1 ILE A 69 -1.155 -0.164 3.060 1.00 0.00 C ATOM 1016 CG2 ILE A 69 -2.252 0.019 5.309 1.00 0.00 C ATOM 1017 CD1 ILE A 69 -0.762 0.699 1.882 1.00 0.00 C ATOM 0 H ILE A 69 -2.895 -2.132 3.006 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.514 0.194 3.809 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.380 1.456 3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.306 -0.246 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.377 -1.170 2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.325 0.427 5.711 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.099 0.443 5.849 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.253 -1.065 5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.101 0.260 1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.595 0.761 1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.508 1.699 2.233 1.00 0.00 H new ATOM 1029 N THR A 70 -4.255 1.466 1.580 1.00 0.00 N ATOM 1030 CA THR A 70 -4.417 2.005 0.236 1.00 0.00 C ATOM 1031 C THR A 70 -3.344 3.042 -0.074 1.00 0.00 C ATOM 1032 O THR A 70 -2.665 3.534 0.828 1.00 0.00 O ATOM 1033 CB THR A 70 -5.805 2.647 0.052 1.00 0.00 C ATOM 1034 OG1 THR A 70 -6.071 3.555 1.127 1.00 0.00 O ATOM 1035 CG2 THR A 70 -6.891 1.584 -0.002 1.00 0.00 C ATOM 0 H THR A 70 -4.528 2.106 2.326 1.00 0.00 H new ATOM 0 HA THR A 70 -4.318 1.167 -0.454 1.00 0.00 H new ATOM 0 HB THR A 70 -5.806 3.192 -0.892 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.095 3.062 1.973 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.862 2.062 -0.132 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.702 0.913 -0.840 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.889 1.014 0.927 1.00 0.00 H new ATOM 1043 N ILE A 71 -3.198 3.371 -1.353 1.00 0.00 N ATOM 1044 CA ILE A 71 -2.208 4.352 -1.780 1.00 0.00 C ATOM 1045 C ILE A 71 -2.800 5.323 -2.796 1.00 0.00 C ATOM 1046 O ILE A 71 -3.075 4.953 -3.938 1.00 0.00 O ATOM 1047 CB ILE A 71 -0.971 3.672 -2.397 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -0.256 2.818 -1.348 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -0.025 4.715 -2.973 1.00 0.00 C ATOM 1050 CD1 ILE A 71 0.707 1.814 -1.942 1.00 0.00 C ATOM 0 H ILE A 71 -3.752 2.973 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.904 4.902 -0.889 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.299 3.021 -3.207 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.288 3.473 -0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.000 2.288 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.844 4.219 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.539 5.285 -3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.299 5.389 -2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.178 1.244 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.165 1.135 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.473 2.339 -2.513 1.00 0.00 H new ATOM 1062 N ASP A 72 -2.992 6.568 -2.374 1.00 0.00 N ATOM 1063 CA ASP A 72 -3.548 7.595 -3.247 1.00 0.00 C ATOM 1064 C ASP A 72 -2.439 8.362 -3.960 1.00 0.00 C ATOM 1065 O ASP A 72 -1.757 9.192 -3.358 1.00 0.00 O ATOM 1066 CB ASP A 72 -4.418 8.562 -2.443 1.00 0.00 C ATOM 1067 CG ASP A 72 -5.504 9.201 -3.287 1.00 0.00 C ATOM 1068 OD1 ASP A 72 -5.207 9.604 -4.431 1.00 0.00 O ATOM 1069 OD2 ASP A 72 -6.651 9.298 -2.802 1.00 0.00 O ATOM 0 H ASP A 72 -2.771 6.890 -1.432 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.165 7.102 -3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.876 8.028 -1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.789 9.342 -2.014 1.00 0.00 H new ATOM 1074 N LYS A 73 -2.262 8.077 -5.246 1.00 0.00 N ATOM 1075 CA LYS A 73 -1.235 8.740 -6.042 1.00 0.00 C ATOM 1076 C LYS A 73 -1.601 10.198 -6.298 1.00 0.00 C ATOM 1077 O LYS A 73 -0.729 11.062 -6.376 1.00 0.00 O ATOM 1078 CB LYS A 73 -1.044 8.010 -7.374 1.00 0.00 C ATOM 1079 CG LYS A 73 -0.470 6.612 -7.224 1.00 0.00 C ATOM 1080 CD LYS A 73 0.064 6.084 -8.545 1.00 0.00 C ATOM 1081 CE LYS A 73 1.503 6.519 -8.778 1.00 0.00 C ATOM 1082 NZ LYS A 73 1.579 7.871 -9.398 1.00 0.00 N ATOM 0 H LYS A 73 -2.816 7.392 -5.759 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.301 8.712 -5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.005 7.946 -7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.383 8.599 -8.010 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.331 6.624 -6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.241 5.940 -6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.006 4.996 -8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.563 6.443 -9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.039 6.524 -7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.002 5.795 -9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.310 7.873 -10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.659 8.112 -9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.821 8.574 -8.670 1.00 0.00 H new ATOM 1096 N ALA A 74 -2.897 10.465 -6.425 1.00 0.00 N ATOM 1097 CA ALA A 74 -3.378 11.819 -6.668 1.00 0.00 C ATOM 1098 C ALA A 74 -2.679 12.821 -5.756 1.00 0.00 C ATOM 1099 O ALA A 74 -2.118 13.814 -6.221 1.00 0.00 O ATOM 1100 CB ALA A 74 -4.886 11.886 -6.473 1.00 0.00 C ATOM 0 H ALA A 74 -3.632 9.761 -6.364 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.144 12.082 -7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.232 12.903 -6.658 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.374 11.205 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.134 11.598 -5.451 1.00 0.00 H new ATOM 1106 N THR A 75 -2.717 12.557 -4.453 1.00 0.00 N ATOM 1107 CA THR A 75 -2.090 13.437 -3.476 1.00 0.00 C ATOM 1108 C THR A 75 -0.826 12.807 -2.901 1.00 0.00 C ATOM 1109 O THR A 75 0.065 13.507 -2.422 1.00 0.00 O ATOM 1110 CB THR A 75 -3.053 13.772 -2.322 1.00 0.00 C ATOM 1111 OG1 THR A 75 -2.429 14.685 -1.412 1.00 0.00 O ATOM 1112 CG2 THR A 75 -3.467 12.511 -1.578 1.00 0.00 C ATOM 0 H THR A 75 -3.176 11.740 -4.051 1.00 0.00 H new ATOM 0 HA THR A 75 -1.829 14.356 -4.000 1.00 0.00 H new ATOM 0 HB THR A 75 -3.945 14.234 -2.746 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.456 14.582 -1.461 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.147 12.773 -0.768 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.968 11.830 -2.266 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.583 12.025 -1.166 1.00 0.00 H new ATOM 1120 N GLY A 76 -0.755 11.480 -2.953 1.00 0.00 N ATOM 1121 CA GLY A 76 0.405 10.779 -2.434 1.00 0.00 C ATOM 1122 C GLY A 76 0.250 10.402 -0.974 1.00 0.00 C ATOM 1123 O GLY A 76 1.237 10.275 -0.249 1.00 0.00 O ATOM 0 H GLY A 76 -1.480 10.879 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.574 9.877 -3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.288 11.407 -2.552 1.00 0.00 H new ATOM 1127 N LYS A 77 -0.993 10.223 -0.540 1.00 0.00 N ATOM 1128 CA LYS A 77 -1.276 9.859 0.843 1.00 0.00 C ATOM 1129 C LYS A 77 -1.756 8.414 0.938 1.00 0.00 C ATOM 1130 O LYS A 77 -2.295 7.865 -0.024 1.00 0.00 O ATOM 1131 CB LYS A 77 -2.331 10.798 1.434 1.00 0.00 C ATOM 1132 CG LYS A 77 -1.761 12.113 1.936 1.00 0.00 C ATOM 1133 CD LYS A 77 -2.623 12.710 3.036 1.00 0.00 C ATOM 1134 CE LYS A 77 -3.865 13.379 2.469 1.00 0.00 C ATOM 1135 NZ LYS A 77 -4.372 14.457 3.363 1.00 0.00 N ATOM 0 H LYS A 77 -1.821 10.324 -1.127 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.352 9.955 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.087 11.005 0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.835 10.292 2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.750 11.953 2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.686 12.818 1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.917 11.927 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.041 13.439 3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.637 13.798 1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.645 12.632 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.219 14.888 2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.614 14.054 4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.637 15.183 3.483 1.00 0.00 H new ATOM 1149 N ILE A 78 -1.558 7.805 2.102 1.00 0.00 N ATOM 1150 CA ILE A 78 -1.973 6.425 2.322 1.00 0.00 C ATOM 1151 C ILE A 78 -3.049 6.340 3.399 1.00 0.00 C ATOM 1152 O ILE A 78 -2.969 7.015 4.425 1.00 0.00 O ATOM 1153 CB ILE A 78 -0.783 5.537 2.729 1.00 0.00 C ATOM 1154 CG1 ILE A 78 0.165 5.341 1.544 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -1.276 4.195 3.247 1.00 0.00 C ATOM 1156 CD1 ILE A 78 1.591 5.044 1.953 1.00 0.00 C ATOM 0 H ILE A 78 -1.113 8.245 2.907 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.379 6.063 1.377 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.235 6.034 3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.205 4.523 0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.152 6.239 0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.423 3.579 3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.915 4.353 4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.845 3.690 2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.206 4.917 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.979 5.872 2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.617 4.129 2.545 1.00 0.00 H new ATOM 1168 N SER A 79 -4.054 5.504 3.159 1.00 0.00 N ATOM 1169 CA SER A 79 -5.148 5.331 4.108 1.00 0.00 C ATOM 1170 C SER A 79 -5.312 3.862 4.486 1.00 0.00 C ATOM 1171 O SER A 79 -5.329 2.984 3.623 1.00 0.00 O ATOM 1172 CB SER A 79 -6.453 5.866 3.517 1.00 0.00 C ATOM 1173 OG SER A 79 -6.431 7.280 3.427 1.00 0.00 O ATOM 0 H SER A 79 -4.134 4.936 2.316 1.00 0.00 H new ATOM 0 HA SER A 79 -4.907 5.895 5.009 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.610 5.438 2.527 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.292 5.551 4.137 1.00 0.00 H new ATOM 0 HG SER A 79 -7.276 7.597 3.045 1.00 0.00 H new ATOM 1179 N LYS A 80 -5.432 3.602 5.783 1.00 0.00 N ATOM 1180 CA LYS A 80 -5.596 2.240 6.279 1.00 0.00 C ATOM 1181 C LYS A 80 -7.072 1.867 6.365 1.00 0.00 C ATOM 1182 O LYS A 80 -7.903 2.670 6.792 1.00 0.00 O ATOM 1183 CB LYS A 80 -4.941 2.094 7.654 1.00 0.00 C ATOM 1184 CG LYS A 80 -4.824 0.653 8.122 1.00 0.00 C ATOM 1185 CD LYS A 80 -4.250 0.568 9.526 1.00 0.00 C ATOM 1186 CE LYS A 80 -5.294 0.915 10.577 1.00 0.00 C ATOM 1187 NZ LYS A 80 -5.429 2.387 10.759 1.00 0.00 N ATOM 0 H LYS A 80 -5.419 4.317 6.511 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.108 1.563 5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.946 2.539 7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.520 2.659 8.385 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.807 0.182 8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.188 0.096 7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.872 -0.439 9.705 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.402 1.247 9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.257 0.495 10.285 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.020 0.455 11.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.357 2.620 11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.672 2.872 10.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.353 2.698 10.397 1.00 0.00 H new ATOM 1201 N LEU A 81 -7.393 0.643 5.959 1.00 0.00 N ATOM 1202 CA LEU A 81 -8.770 0.162 5.992 1.00 0.00 C ATOM 1203 C LEU A 81 -8.919 -0.996 6.974 1.00 0.00 C ATOM 1204 O LEU A 81 -9.716 -0.931 7.909 1.00 0.00 O ATOM 1205 CB LEU A 81 -9.211 -0.279 4.595 1.00 0.00 C ATOM 1206 CG LEU A 81 -8.542 0.439 3.423 1.00 0.00 C ATOM 1207 CD1 LEU A 81 -8.927 -0.216 2.106 1.00 0.00 C ATOM 1208 CD2 LEU A 81 -8.917 1.914 3.417 1.00 0.00 C ATOM 0 H LEU A 81 -6.718 -0.034 5.603 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.407 0.981 6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.021 -1.348 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.289 -0.138 4.514 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.461 0.360 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.441 0.309 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.608 -1.258 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.008 -0.169 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.432 2.409 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.998 2.014 3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.590 2.376 4.348 1.00 0.00 H new