USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 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 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.00746 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.726 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= -0.0149 (180deg=-0.184) USER MOD Single : A 54 MET CE :methyl -149:sc= 0 (180deg=-1.32) USER MOD Single : A 57 SER OG : rot -136:sc= 0.833 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 60 LYS NZ :NH3+ 155:sc= -0.613 (180deg=-1.21) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc=-0.00703 (180deg=-0.149) USER MOD Single : A 64 GLN : amide:sc= -0.0224 X(o=-0.022,f=-0.35) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= -0.027 (180deg=-0.519) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 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+ -146:sc= 0.893 (180deg=0.27) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 12 -5.729 6.348 -9.858 1.00 0.00 N ATOM 133 CA GLU A 12 -4.553 6.783 -9.114 1.00 0.00 C ATOM 134 C GLU A 12 -4.570 6.222 -7.694 1.00 0.00 C ATOM 135 O GLU A 12 -4.143 6.886 -6.749 1.00 0.00 O ATOM 136 CB GLU A 12 -4.487 8.311 -9.069 1.00 0.00 C ATOM 137 CG GLU A 12 -3.944 8.934 -10.344 1.00 0.00 C ATOM 138 CD GLU A 12 -4.636 8.413 -11.589 1.00 0.00 C ATOM 139 OE1 GLU A 12 -5.762 8.869 -11.877 1.00 0.00 O ATOM 140 OE2 GLU A 12 -4.051 7.549 -12.275 1.00 0.00 O ATOM 0 HA GLU A 12 -3.669 6.403 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.486 8.704 -8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.860 8.615 -8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.062 10.016 -10.294 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.875 8.733 -10.416 1.00 0.00 H new ATOM 147 N ILE A 13 -5.066 4.997 -7.554 1.00 0.00 N ATOM 148 CA ILE A 13 -5.138 4.347 -6.252 1.00 0.00 C ATOM 149 C ILE A 13 -4.895 2.847 -6.372 1.00 0.00 C ATOM 150 O ILE A 13 -5.299 2.219 -7.351 1.00 0.00 O ATOM 151 CB ILE A 13 -6.503 4.583 -5.580 1.00 0.00 C ATOM 152 CG1 ILE A 13 -6.783 6.082 -5.455 1.00 0.00 C ATOM 153 CG2 ILE A 13 -6.543 3.915 -4.213 1.00 0.00 C ATOM 154 CD1 ILE A 13 -8.097 6.397 -4.775 1.00 0.00 C ATOM 0 H ILE A 13 -5.424 4.435 -8.326 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.357 4.790 -5.634 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.279 4.139 -6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.973 6.549 -4.896 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.782 6.528 -6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.514 4.091 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.384 2.843 -4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.759 4.333 -3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.229 7.478 -4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.916 5.959 -5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.094 5.981 -3.767 1.00 0.00 H new ATOM 166 N ILE A 14 -4.234 2.277 -5.370 1.00 0.00 N ATOM 167 CA ILE A 14 -3.940 0.850 -5.362 1.00 0.00 C ATOM 168 C ILE A 14 -4.019 0.280 -3.950 1.00 0.00 C ATOM 169 O ILE A 14 -3.404 0.807 -3.023 1.00 0.00 O ATOM 170 CB ILE A 14 -2.544 0.559 -5.944 1.00 0.00 C ATOM 171 CG1 ILE A 14 -2.222 1.544 -7.070 1.00 0.00 C ATOM 172 CG2 ILE A 14 -2.469 -0.874 -6.450 1.00 0.00 C ATOM 173 CD1 ILE A 14 -0.765 1.539 -7.478 1.00 0.00 C ATOM 0 H ILE A 14 -3.892 2.782 -4.553 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.692 0.370 -5.988 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.804 0.684 -5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.835 1.304 -7.939 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.499 2.549 -6.753 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.476 -1.064 -6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.660 -1.561 -5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.217 -1.024 -7.229 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.609 2.260 -8.280 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.147 1.809 -6.622 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.488 0.544 -7.826 1.00 0.00 H new ATOM 185 N GLU A 15 -4.777 -0.801 -3.795 1.00 0.00 N ATOM 186 CA GLU A 15 -4.935 -1.443 -2.495 1.00 0.00 C ATOM 187 C GLU A 15 -4.240 -2.801 -2.472 1.00 0.00 C ATOM 188 O GLU A 15 -4.313 -3.565 -3.433 1.00 0.00 O ATOM 189 CB GLU A 15 -6.419 -1.610 -2.161 1.00 0.00 C ATOM 190 CG GLU A 15 -6.673 -2.470 -0.934 1.00 0.00 C ATOM 191 CD GLU A 15 -6.799 -3.943 -1.270 1.00 0.00 C ATOM 192 OE1 GLU A 15 -5.754 -4.601 -1.458 1.00 0.00 O ATOM 193 OE2 GLU A 15 -7.943 -4.439 -1.346 1.00 0.00 O ATOM 0 H GLU A 15 -5.291 -1.250 -4.553 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.471 -0.804 -1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.860 -0.626 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.928 -2.053 -3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.858 -2.332 -0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.586 -2.134 -0.442 1.00 0.00 H new ATOM 200 N GLY A 16 -3.565 -3.095 -1.364 1.00 0.00 N ATOM 201 CA GLY A 16 -2.866 -4.360 -1.236 1.00 0.00 C ATOM 202 C GLY A 16 -2.674 -4.772 0.210 1.00 0.00 C ATOM 203 O GLY A 16 -2.785 -3.947 1.117 1.00 0.00 O ATOM 0 H GLY A 16 -3.490 -2.480 -0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.425 -5.135 -1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.893 -4.285 -1.722 1.00 0.00 H new ATOM 207 N GLU A 17 -2.387 -6.052 0.427 1.00 0.00 N ATOM 208 CA GLU A 17 -2.182 -6.571 1.774 1.00 0.00 C ATOM 209 C GLU A 17 -0.761 -6.292 2.254 1.00 0.00 C ATOM 210 O GLU A 17 0.194 -6.925 1.803 1.00 0.00 O ATOM 211 CB GLU A 17 -2.459 -8.075 1.812 1.00 0.00 C ATOM 212 CG GLU A 17 -2.571 -8.638 3.219 1.00 0.00 C ATOM 213 CD GLU A 17 -2.971 -10.100 3.233 1.00 0.00 C ATOM 214 OE1 GLU A 17 -2.178 -10.937 2.752 1.00 0.00 O ATOM 215 OE2 GLU A 17 -4.077 -10.409 3.723 1.00 0.00 O ATOM 0 H GLU A 17 -2.291 -6.748 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.878 -6.064 2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.384 -8.279 1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.661 -8.596 1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.615 -8.522 3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.305 -8.059 3.780 1.00 0.00 H new ATOM 222 N VAL A 18 -0.629 -5.340 3.172 1.00 0.00 N ATOM 223 CA VAL A 18 0.674 -4.976 3.715 1.00 0.00 C ATOM 224 C VAL A 18 1.475 -6.216 4.098 1.00 0.00 C ATOM 225 O VAL A 18 1.165 -6.889 5.081 1.00 0.00 O ATOM 226 CB VAL A 18 0.534 -4.067 4.950 1.00 0.00 C ATOM 227 CG1 VAL A 18 1.902 -3.733 5.525 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.228 -2.799 4.595 1.00 0.00 C ATOM 0 H VAL A 18 -1.409 -4.807 3.555 1.00 0.00 H new ATOM 0 HA VAL A 18 1.203 -4.432 2.932 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.033 -4.603 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.783 -3.090 6.397 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.408 -4.653 5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.497 -3.217 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.317 -2.169 5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.309 -2.258 3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.223 -3.061 4.234 1.00 0.00 H new ATOM 238 N VAL A 19 2.508 -6.512 3.315 1.00 0.00 N ATOM 239 CA VAL A 19 3.355 -7.670 3.573 1.00 0.00 C ATOM 240 C VAL A 19 4.567 -7.288 4.414 1.00 0.00 C ATOM 241 O VAL A 19 4.831 -7.894 5.452 1.00 0.00 O ATOM 242 CB VAL A 19 3.838 -8.315 2.260 1.00 0.00 C ATOM 243 CG1 VAL A 19 4.986 -9.276 2.528 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.689 -9.027 1.562 1.00 0.00 C ATOM 0 H VAL A 19 2.778 -5.966 2.497 1.00 0.00 H new ATOM 0 HA VAL A 19 2.748 -8.390 4.122 1.00 0.00 H new ATOM 0 HB VAL A 19 4.201 -7.527 1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.314 -9.722 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.816 -8.734 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.652 -10.062 3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.048 -9.477 0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.294 -9.806 2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.901 -8.309 1.335 1.00 0.00 H new ATOM 254 N GLU A 20 5.302 -6.277 3.960 1.00 0.00 N ATOM 255 CA GLU A 20 6.487 -5.814 4.672 1.00 0.00 C ATOM 256 C GLU A 20 6.597 -4.293 4.613 1.00 0.00 C ATOM 257 O GLU A 20 6.190 -3.668 3.633 1.00 0.00 O ATOM 258 CB GLU A 20 7.746 -6.451 4.080 1.00 0.00 C ATOM 259 CG GLU A 20 8.960 -6.360 4.989 1.00 0.00 C ATOM 260 CD GLU A 20 9.921 -7.516 4.797 1.00 0.00 C ATOM 261 OE1 GLU A 20 10.345 -7.752 3.647 1.00 0.00 O ATOM 262 OE2 GLU A 20 10.250 -8.186 5.799 1.00 0.00 O ATOM 0 H GLU A 20 5.097 -5.763 3.103 1.00 0.00 H new ATOM 0 HA GLU A 20 6.393 -6.114 5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.544 -7.500 3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.976 -5.967 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.483 -5.423 4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.630 -6.335 6.028 1.00 0.00 H new ATOM 269 N ILE A 21 7.150 -3.705 5.668 1.00 0.00 N ATOM 270 CA ILE A 21 7.314 -2.258 5.737 1.00 0.00 C ATOM 271 C ILE A 21 8.712 -1.886 6.220 1.00 0.00 C ATOM 272 O ILE A 21 9.024 -2.016 7.404 1.00 0.00 O ATOM 273 CB ILE A 21 6.272 -1.617 6.672 1.00 0.00 C ATOM 274 CG1 ILE A 21 4.858 -1.867 6.144 1.00 0.00 C ATOM 275 CG2 ILE A 21 6.534 -0.125 6.813 1.00 0.00 C ATOM 276 CD1 ILE A 21 3.773 -1.552 7.150 1.00 0.00 C ATOM 0 H ILE A 21 7.492 -4.208 6.487 1.00 0.00 H new ATOM 0 HA ILE A 21 7.167 -1.875 4.727 1.00 0.00 H new ATOM 0 HB ILE A 21 6.358 -2.076 7.657 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.700 -1.263 5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.771 -2.911 5.842 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.789 0.314 7.477 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.529 0.032 7.230 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.472 0.349 5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.797 -1.753 6.708 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.905 -2.175 8.035 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.834 -0.501 7.434 1.00 0.00 H new ATOM 288 N GLN A 22 9.548 -1.422 5.297 1.00 0.00 N ATOM 289 CA GLN A 22 10.912 -1.030 5.630 1.00 0.00 C ATOM 290 C GLN A 22 11.044 0.489 5.684 1.00 0.00 C ATOM 291 O GLN A 22 10.461 1.201 4.866 1.00 0.00 O ATOM 292 CB GLN A 22 11.894 -1.603 4.606 1.00 0.00 C ATOM 293 CG GLN A 22 13.289 -1.832 5.164 1.00 0.00 C ATOM 294 CD GLN A 22 14.324 -2.050 4.077 1.00 0.00 C ATOM 295 OE1 GLN A 22 14.554 -3.177 3.640 1.00 0.00 O ATOM 296 NE2 GLN A 22 14.954 -0.968 3.635 1.00 0.00 N ATOM 0 H GLN A 22 9.305 -1.308 4.313 1.00 0.00 H new ATOM 0 HA GLN A 22 11.149 -1.432 6.615 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.503 -2.548 4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.958 -0.923 3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.579 -0.974 5.770 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.274 -2.698 5.825 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.731 -0.053 4.026 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.661 -1.052 2.904 1.00 0.00 H new ATOM 305 N ILE A 23 11.813 0.976 6.651 1.00 0.00 N ATOM 306 CA ILE A 23 12.021 2.410 6.811 1.00 0.00 C ATOM 307 C ILE A 23 13.506 2.742 6.914 1.00 0.00 C ATOM 308 O ILE A 23 14.155 2.429 7.912 1.00 0.00 O ATOM 309 CB ILE A 23 11.299 2.948 8.060 1.00 0.00 C ATOM 310 CG1 ILE A 23 9.826 2.534 8.043 1.00 0.00 C ATOM 311 CG2 ILE A 23 11.428 4.463 8.136 1.00 0.00 C ATOM 312 CD1 ILE A 23 8.994 3.302 7.040 1.00 0.00 C ATOM 0 H ILE A 23 12.302 0.399 7.335 1.00 0.00 H new ATOM 0 HA ILE A 23 11.604 2.890 5.925 1.00 0.00 H new ATOM 0 HB ILE A 23 11.768 2.518 8.945 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.759 1.469 7.819 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.405 2.678 9.038 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.912 4.828 9.024 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.482 4.736 8.190 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.982 4.911 7.248 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.961 2.956 7.083 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.031 4.366 7.275 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.390 3.138 6.038 1.00 0.00 H new ATOM 437 N LYS A 33 13.637 11.871 3.734 1.00 0.00 N ATOM 438 CA LYS A 33 13.213 10.585 4.273 1.00 0.00 C ATOM 439 C LYS A 33 12.793 9.638 3.154 1.00 0.00 C ATOM 440 O LYS A 33 12.127 10.044 2.201 1.00 0.00 O ATOM 441 CB LYS A 33 12.055 10.777 5.255 1.00 0.00 C ATOM 442 CG LYS A 33 12.494 11.257 6.627 1.00 0.00 C ATOM 443 CD LYS A 33 11.374 11.130 7.647 1.00 0.00 C ATOM 444 CE LYS A 33 11.862 11.446 9.052 1.00 0.00 C ATOM 445 NZ LYS A 33 12.044 12.910 9.260 1.00 0.00 N ATOM 0 HA LYS A 33 14.059 10.144 4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.350 11.495 4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.521 9.833 5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.356 10.677 6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.814 12.297 6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.561 11.806 7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.969 10.118 7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.147 11.062 9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.807 10.933 9.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.377 13.084 10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.745 13.272 8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.137 13.397 9.113 1.00 0.00 H new ATOM 459 N VAL A 34 13.184 8.374 3.276 1.00 0.00 N ATOM 460 CA VAL A 34 12.846 7.368 2.275 1.00 0.00 C ATOM 461 C VAL A 34 12.436 6.055 2.932 1.00 0.00 C ATOM 462 O VAL A 34 12.845 5.756 4.054 1.00 0.00 O ATOM 463 CB VAL A 34 14.026 7.106 1.321 1.00 0.00 C ATOM 464 CG1 VAL A 34 14.559 8.415 0.760 1.00 0.00 C ATOM 465 CG2 VAL A 34 15.126 6.335 2.035 1.00 0.00 C ATOM 0 H VAL A 34 13.735 8.021 4.058 1.00 0.00 H new ATOM 0 HA VAL A 34 12.007 7.762 1.702 1.00 0.00 H new ATOM 0 HB VAL A 34 13.670 6.500 0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.392 8.210 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.767 8.925 0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.900 9.049 1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.952 6.158 1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.482 6.914 2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.733 5.380 2.383 1.00 0.00 H new ATOM 475 N GLY A 35 11.626 5.273 2.225 1.00 0.00 N ATOM 476 CA GLY A 35 11.175 4.000 2.756 1.00 0.00 C ATOM 477 C GLY A 35 10.665 3.069 1.674 1.00 0.00 C ATOM 478 O GLY A 35 10.462 3.483 0.532 1.00 0.00 O ATOM 0 H GLY A 35 11.274 5.498 1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.997 3.520 3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.383 4.174 3.485 1.00 0.00 H new ATOM 482 N LYS A 36 10.458 1.806 2.031 1.00 0.00 N ATOM 483 CA LYS A 36 9.969 0.812 1.083 1.00 0.00 C ATOM 484 C LYS A 36 8.780 0.050 1.658 1.00 0.00 C ATOM 485 O LYS A 36 8.721 -0.214 2.860 1.00 0.00 O ATOM 486 CB LYS A 36 11.087 -0.167 0.717 1.00 0.00 C ATOM 487 CG LYS A 36 12.143 0.430 -0.197 1.00 0.00 C ATOM 488 CD LYS A 36 11.599 0.672 -1.595 1.00 0.00 C ATOM 489 CE LYS A 36 12.702 1.079 -2.560 1.00 0.00 C ATOM 490 NZ LYS A 36 13.043 2.523 -2.435 1.00 0.00 N ATOM 0 H LYS A 36 10.622 1.446 2.971 1.00 0.00 H new ATOM 0 HA LYS A 36 9.643 1.334 0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.566 -0.517 1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.650 -1.040 0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.500 1.370 0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.000 -0.241 -0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.112 -0.233 -1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.838 1.452 -1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.591 0.478 -2.370 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.387 0.867 -3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.798 2.761 -3.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.201 3.098 -2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.368 2.720 -1.467 1.00 0.00 H new ATOM 504 N LEU A 37 7.835 -0.303 0.794 1.00 0.00 N ATOM 505 CA LEU A 37 6.647 -1.037 1.217 1.00 0.00 C ATOM 506 C LEU A 37 6.294 -2.128 0.211 1.00 0.00 C ATOM 507 O LEU A 37 6.416 -1.935 -1.000 1.00 0.00 O ATOM 508 CB LEU A 37 5.465 -0.080 1.384 1.00 0.00 C ATOM 509 CG LEU A 37 4.074 -0.708 1.284 1.00 0.00 C ATOM 510 CD1 LEU A 37 3.827 -1.647 2.455 1.00 0.00 C ATOM 511 CD2 LEU A 37 3.004 0.373 1.230 1.00 0.00 C ATOM 0 H LEU A 37 7.868 -0.093 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 37 6.864 -1.509 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.553 0.408 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.545 0.700 0.627 1.00 0.00 H new ATOM 0 HG LEU A 37 4.023 -1.288 0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.833 -2.084 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.574 -2.440 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.897 -1.090 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.021 -0.092 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.054 0.980 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.170 1.006 0.358 1.00 0.00 H new ATOM 523 N THR A 38 5.854 -3.275 0.719 1.00 0.00 N ATOM 524 CA THR A 38 5.483 -4.396 -0.135 1.00 0.00 C ATOM 525 C THR A 38 4.041 -4.824 0.116 1.00 0.00 C ATOM 526 O THR A 38 3.631 -5.018 1.261 1.00 0.00 O ATOM 527 CB THR A 38 6.412 -5.604 0.090 1.00 0.00 C ATOM 528 OG1 THR A 38 7.774 -5.223 -0.132 1.00 0.00 O ATOM 529 CG2 THR A 38 6.043 -6.750 -0.840 1.00 0.00 C ATOM 0 H THR A 38 5.746 -3.452 1.718 1.00 0.00 H new ATOM 0 HA THR A 38 5.584 -4.056 -1.166 1.00 0.00 H new ATOM 0 HB THR A 38 6.293 -5.939 1.120 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.358 -5.996 0.015 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.712 -7.592 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.015 -7.057 -0.649 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.137 -6.423 -1.876 1.00 0.00 H new ATOM 537 N LEU A 39 3.277 -4.970 -0.960 1.00 0.00 N ATOM 538 CA LEU A 39 1.880 -5.377 -0.857 1.00 0.00 C ATOM 539 C LEU A 39 1.569 -6.510 -1.830 1.00 0.00 C ATOM 540 O LEU A 39 1.855 -6.414 -3.023 1.00 0.00 O ATOM 541 CB LEU A 39 0.960 -4.186 -1.133 1.00 0.00 C ATOM 542 CG LEU A 39 0.521 -3.380 0.090 1.00 0.00 C ATOM 543 CD1 LEU A 39 1.723 -2.739 0.767 1.00 0.00 C ATOM 544 CD2 LEU A 39 -0.498 -2.321 -0.306 1.00 0.00 C ATOM 0 H LEU A 39 3.601 -4.813 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 39 1.706 -5.736 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.468 -3.513 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.068 -4.552 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 39 0.051 -4.061 0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.391 -2.170 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.418 -3.516 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.223 -2.072 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.799 -1.757 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.054 -1.643 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.372 -2.803 -0.744 1.00 0.00 H new ATOM 556 N LYS A 40 0.979 -7.582 -1.312 1.00 0.00 N ATOM 557 CA LYS A 40 0.625 -8.733 -2.134 1.00 0.00 C ATOM 558 C LYS A 40 -0.779 -8.579 -2.710 1.00 0.00 C ATOM 559 O LYS A 40 -1.765 -8.553 -1.973 1.00 0.00 O ATOM 560 CB LYS A 40 0.712 -10.020 -1.310 1.00 0.00 C ATOM 561 CG LYS A 40 0.366 -11.271 -2.099 1.00 0.00 C ATOM 562 CD LYS A 40 0.084 -12.449 -1.181 1.00 0.00 C ATOM 563 CE LYS A 40 -1.238 -12.280 -0.448 1.00 0.00 C ATOM 564 NZ LYS A 40 -1.770 -13.581 0.044 1.00 0.00 N ATOM 0 H LYS A 40 0.736 -7.678 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 40 1.333 -8.790 -2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.722 -10.119 -0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.039 -9.941 -0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.506 -11.079 -2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.189 -11.519 -2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.063 -13.369 -1.764 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.893 -12.549 -0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.102 -11.601 0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.966 -11.819 -1.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.672 -13.423 0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.924 -14.220 -0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.086 -14.010 0.700 1.00 0.00 H new ATOM 621 N MET A 44 0.142 -11.125 -7.523 1.00 0.00 N ATOM 622 CA MET A 44 1.499 -11.029 -6.997 1.00 0.00 C ATOM 623 C MET A 44 1.681 -9.749 -6.189 1.00 0.00 C ATOM 624 O MET A 44 0.766 -8.930 -6.094 1.00 0.00 O ATOM 625 CB MET A 44 2.516 -11.074 -8.140 1.00 0.00 C ATOM 626 CG MET A 44 2.871 -9.703 -8.691 1.00 0.00 C ATOM 627 SD MET A 44 3.990 -9.790 -10.102 1.00 0.00 S ATOM 628 CE MET A 44 4.109 -8.059 -10.547 1.00 0.00 C ATOM 0 HA MET A 44 1.667 -11.880 -6.337 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.425 -11.562 -7.788 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.117 -11.689 -8.947 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.958 -9.187 -8.988 1.00 0.00 H new ATOM 0 HG3 MET A 44 3.332 -9.107 -7.903 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.769 -7.949 -11.407 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.119 -7.679 -10.799 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.511 -7.494 -9.706 1.00 0.00 H new ATOM 638 N GLU A 45 2.865 -9.582 -5.610 1.00 0.00 N ATOM 639 CA GLU A 45 3.164 -8.401 -4.809 1.00 0.00 C ATOM 640 C GLU A 45 3.942 -7.373 -5.626 1.00 0.00 C ATOM 641 O GLU A 45 4.500 -7.690 -6.677 1.00 0.00 O ATOM 642 CB GLU A 45 3.964 -8.790 -3.564 1.00 0.00 C ATOM 643 CG GLU A 45 4.982 -9.890 -3.814 1.00 0.00 C ATOM 644 CD GLU A 45 6.198 -9.774 -2.916 1.00 0.00 C ATOM 645 OE1 GLU A 45 6.045 -9.936 -1.687 1.00 0.00 O ATOM 646 OE2 GLU A 45 7.303 -9.522 -3.441 1.00 0.00 O ATOM 0 H GLU A 45 3.633 -10.249 -5.680 1.00 0.00 H new ATOM 0 HA GLU A 45 2.219 -7.955 -4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.480 -7.908 -3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.274 -9.115 -2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.510 -10.860 -3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.300 -9.856 -4.856 1.00 0.00 H new ATOM 653 N THR A 46 3.974 -6.137 -5.135 1.00 0.00 N ATOM 654 CA THR A 46 4.680 -5.062 -5.819 1.00 0.00 C ATOM 655 C THR A 46 5.199 -4.027 -4.827 1.00 0.00 C ATOM 656 O THR A 46 4.505 -3.661 -3.878 1.00 0.00 O ATOM 657 CB THR A 46 3.775 -4.360 -6.849 1.00 0.00 C ATOM 658 OG1 THR A 46 3.306 -5.307 -7.815 1.00 0.00 O ATOM 659 CG2 THR A 46 4.523 -3.238 -7.552 1.00 0.00 C ATOM 0 H THR A 46 3.519 -5.857 -4.266 1.00 0.00 H new ATOM 0 HA THR A 46 5.522 -5.519 -6.339 1.00 0.00 H new ATOM 0 HB THR A 46 2.925 -3.931 -6.319 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.730 -4.853 -8.465 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.863 -2.758 -8.274 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.852 -2.504 -6.817 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.391 -3.647 -8.069 1.00 0.00 H new ATOM 667 N ILE A 47 6.422 -3.558 -5.053 1.00 0.00 N ATOM 668 CA ILE A 47 7.032 -2.564 -4.179 1.00 0.00 C ATOM 669 C ILE A 47 6.574 -1.156 -4.544 1.00 0.00 C ATOM 670 O ILE A 47 6.423 -0.827 -5.721 1.00 0.00 O ATOM 671 CB ILE A 47 8.569 -2.625 -4.245 1.00 0.00 C ATOM 672 CG1 ILE A 47 9.061 -4.034 -3.907 1.00 0.00 C ATOM 673 CG2 ILE A 47 9.181 -1.603 -3.298 1.00 0.00 C ATOM 674 CD1 ILE A 47 10.515 -4.266 -4.253 1.00 0.00 C ATOM 0 H ILE A 47 7.009 -3.851 -5.834 1.00 0.00 H new ATOM 0 HA ILE A 47 6.710 -2.796 -3.164 1.00 0.00 H new ATOM 0 HB ILE A 47 8.884 -2.385 -5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.916 -4.215 -2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.449 -4.761 -4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.268 -1.658 -3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.853 -0.603 -3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.861 -1.815 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.794 -5.285 -3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.663 -4.118 -5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.137 -3.563 -3.700 1.00 0.00 H new ATOM 686 N TYR A 48 6.356 -0.329 -3.528 1.00 0.00 N ATOM 687 CA TYR A 48 5.915 1.045 -3.742 1.00 0.00 C ATOM 688 C TYR A 48 6.914 2.036 -3.153 1.00 0.00 C ATOM 689 O TYR A 48 7.137 2.064 -1.942 1.00 0.00 O ATOM 690 CB TYR A 48 4.535 1.262 -3.118 1.00 0.00 C ATOM 691 CG TYR A 48 3.432 0.488 -3.804 1.00 0.00 C ATOM 692 CD1 TYR A 48 2.900 0.922 -5.012 1.00 0.00 C ATOM 693 CD2 TYR A 48 2.921 -0.676 -3.243 1.00 0.00 C ATOM 694 CE1 TYR A 48 1.891 0.218 -5.641 1.00 0.00 C ATOM 695 CE2 TYR A 48 1.914 -1.387 -3.867 1.00 0.00 C ATOM 696 CZ TYR A 48 1.402 -0.936 -5.065 1.00 0.00 C ATOM 697 OH TYR A 48 0.398 -1.640 -5.689 1.00 0.00 O ATOM 0 H TYR A 48 6.477 -0.585 -2.548 1.00 0.00 H new ATOM 0 HA TYR A 48 5.852 1.217 -4.817 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.571 0.973 -2.068 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.295 2.325 -3.148 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.281 1.824 -5.467 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.318 -1.031 -2.303 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.487 0.570 -6.579 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.530 -2.291 -3.419 1.00 0.00 H new ATOM 0 HH TYR A 48 0.169 -2.428 -5.153 1.00 0.00 H new ATOM 707 N ASP A 49 7.511 2.848 -4.017 1.00 0.00 N ATOM 708 CA ASP A 49 8.485 3.843 -3.584 1.00 0.00 C ATOM 709 C ASP A 49 7.844 4.857 -2.642 1.00 0.00 C ATOM 710 O ASP A 49 6.963 5.620 -3.041 1.00 0.00 O ATOM 711 CB ASP A 49 9.086 4.560 -4.794 1.00 0.00 C ATOM 712 CG ASP A 49 8.102 5.506 -5.453 1.00 0.00 C ATOM 713 OD1 ASP A 49 7.065 5.027 -5.958 1.00 0.00 O ATOM 714 OD2 ASP A 49 8.368 6.726 -5.464 1.00 0.00 O ATOM 0 H ASP A 49 7.338 2.837 -5.022 1.00 0.00 H new ATOM 0 HA ASP A 49 9.280 3.327 -3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.968 5.118 -4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.419 3.821 -5.523 1.00 0.00 H new ATOM 719 N LEU A 50 8.291 4.860 -1.391 1.00 0.00 N ATOM 720 CA LEU A 50 7.760 5.780 -0.391 1.00 0.00 C ATOM 721 C LEU A 50 8.663 7.001 -0.241 1.00 0.00 C ATOM 722 O LEU A 50 9.876 6.914 -0.424 1.00 0.00 O ATOM 723 CB LEU A 50 7.613 5.071 0.956 1.00 0.00 C ATOM 724 CG LEU A 50 6.735 3.820 0.963 1.00 0.00 C ATOM 725 CD1 LEU A 50 6.879 3.074 2.281 1.00 0.00 C ATOM 726 CD2 LEU A 50 5.279 4.188 0.713 1.00 0.00 C ATOM 0 H LEU A 50 9.020 4.236 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 50 6.779 6.116 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.607 4.795 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.205 5.781 1.675 1.00 0.00 H new ATOM 0 HG LEU A 50 7.066 3.163 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.247 2.186 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.919 2.777 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.575 3.724 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.669 3.285 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.935 4.865 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.189 4.678 -0.257 1.00 0.00 H new ATOM 738 N GLY A 51 8.061 8.137 0.097 1.00 0.00 N ATOM 739 CA GLY A 51 8.826 9.359 0.269 1.00 0.00 C ATOM 740 C GLY A 51 8.837 9.838 1.707 1.00 0.00 C ATOM 741 O GLY A 51 9.331 9.146 2.598 1.00 0.00 O ATOM 0 H GLY A 51 7.058 8.233 0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.851 9.192 -0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.407 10.139 -0.367 1.00 0.00 H new ATOM 745 N THR A 52 8.292 11.029 1.936 1.00 0.00 N ATOM 746 CA THR A 52 8.243 11.602 3.275 1.00 0.00 C ATOM 747 C THR A 52 6.815 11.629 3.810 1.00 0.00 C ATOM 748 O THR A 52 6.537 11.113 4.892 1.00 0.00 O ATOM 749 CB THR A 52 8.813 13.033 3.295 1.00 0.00 C ATOM 750 OG1 THR A 52 10.098 13.057 2.662 1.00 0.00 O ATOM 751 CG2 THR A 52 8.935 13.547 4.721 1.00 0.00 C ATOM 0 H THR A 52 7.878 11.615 1.211 1.00 0.00 H new ATOM 0 HA THR A 52 8.856 10.965 3.913 1.00 0.00 H new ATOM 0 HB THR A 52 8.127 13.681 2.750 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.453 13.970 2.677 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.340 14.559 4.710 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.951 13.555 5.190 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.602 12.896 5.287 1.00 0.00 H new ATOM 759 N LYS A 53 5.913 12.234 3.045 1.00 0.00 N ATOM 760 CA LYS A 53 4.513 12.327 3.440 1.00 0.00 C ATOM 761 C LYS A 53 3.898 10.939 3.596 1.00 0.00 C ATOM 762 O LYS A 53 3.113 10.698 4.512 1.00 0.00 O ATOM 763 CB LYS A 53 3.722 13.133 2.407 1.00 0.00 C ATOM 764 CG LYS A 53 3.691 14.624 2.693 1.00 0.00 C ATOM 765 CD LYS A 53 4.903 15.330 2.108 1.00 0.00 C ATOM 766 CE LYS A 53 4.777 16.841 2.223 1.00 0.00 C ATOM 767 NZ LYS A 53 3.706 17.378 1.339 1.00 0.00 N ATOM 0 H LYS A 53 6.127 12.668 2.147 1.00 0.00 H new ATOM 0 HA LYS A 53 4.467 12.837 4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.157 12.970 1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.699 12.757 2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.781 15.056 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.658 14.788 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.803 14.998 2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.017 15.052 1.060 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.563 17.110 3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.728 17.305 1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.814 18.408 1.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.779 16.939 0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.776 17.163 1.751 1.00 0.00 H new ATOM 781 N MET A 54 4.262 10.031 2.697 1.00 0.00 N ATOM 782 CA MET A 54 3.748 8.667 2.737 1.00 0.00 C ATOM 783 C MET A 54 3.998 8.032 4.101 1.00 0.00 C ATOM 784 O MET A 54 3.086 7.475 4.713 1.00 0.00 O ATOM 785 CB MET A 54 4.399 7.821 1.641 1.00 0.00 C ATOM 786 CG MET A 54 3.983 8.223 0.235 1.00 0.00 C ATOM 787 SD MET A 54 2.378 7.549 -0.233 1.00 0.00 S ATOM 788 CE MET A 54 2.682 7.106 -1.941 1.00 0.00 C ATOM 0 H MET A 54 4.911 10.215 1.932 1.00 0.00 H new ATOM 0 HA MET A 54 2.672 8.706 2.565 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.483 7.901 1.727 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.143 6.774 1.801 1.00 0.00 H new ATOM 0 HG2 MET A 54 3.950 9.310 0.167 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.737 7.882 -0.474 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.759 7.204 -2.512 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.440 7.768 -2.359 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.033 6.075 -1.993 1.00 0.00 H new ATOM 798 N ILE A 55 5.238 8.120 4.572 1.00 0.00 N ATOM 799 CA ILE A 55 5.606 7.555 5.864 1.00 0.00 C ATOM 800 C ILE A 55 4.852 8.240 6.999 1.00 0.00 C ATOM 801 O ILE A 55 4.343 7.582 7.905 1.00 0.00 O ATOM 802 CB ILE A 55 7.119 7.677 6.121 1.00 0.00 C ATOM 803 CG1 ILE A 55 7.905 6.955 5.024 1.00 0.00 C ATOM 804 CG2 ILE A 55 7.471 7.113 7.490 1.00 0.00 C ATOM 805 CD1 ILE A 55 9.372 7.323 4.989 1.00 0.00 C ATOM 0 H ILE A 55 6.004 8.577 4.078 1.00 0.00 H new ATOM 0 HA ILE A 55 5.334 6.500 5.836 1.00 0.00 H new ATOM 0 HB ILE A 55 7.391 8.732 6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.812 5.879 5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.458 7.185 4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.544 7.206 7.657 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.934 7.666 8.261 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.187 6.062 7.534 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.866 6.774 4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.474 8.394 4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.834 7.067 5.942 1.00 0.00 H new ATOM 817 N GLU A 56 4.784 9.567 6.941 1.00 0.00 N ATOM 818 CA GLU A 56 4.091 10.341 7.964 1.00 0.00 C ATOM 819 C GLU A 56 2.748 9.704 8.311 1.00 0.00 C ATOM 820 O GLU A 56 2.234 9.879 9.416 1.00 0.00 O ATOM 821 CB GLU A 56 3.878 11.780 7.489 1.00 0.00 C ATOM 822 CG GLU A 56 5.158 12.596 7.426 1.00 0.00 C ATOM 823 CD GLU A 56 4.897 14.089 7.395 1.00 0.00 C ATOM 824 OE1 GLU A 56 3.912 14.532 8.024 1.00 0.00 O ATOM 825 OE2 GLU A 56 5.676 14.815 6.743 1.00 0.00 O ATOM 0 H GLU A 56 5.200 10.127 6.197 1.00 0.00 H new ATOM 0 HA GLU A 56 4.712 10.350 8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.419 11.763 6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.175 12.274 8.159 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.779 12.357 8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.723 12.311 6.538 1.00 0.00 H new ATOM 832 N SER A 57 2.186 8.966 7.360 1.00 0.00 N ATOM 833 CA SER A 57 0.902 8.306 7.563 1.00 0.00 C ATOM 834 C SER A 57 1.092 6.927 8.186 1.00 0.00 C ATOM 835 O SER A 57 0.341 6.526 9.077 1.00 0.00 O ATOM 836 CB SER A 57 0.154 8.180 6.234 1.00 0.00 C ATOM 837 OG SER A 57 -1.248 8.157 6.438 1.00 0.00 O ATOM 0 H SER A 57 2.600 8.810 6.441 1.00 0.00 H new ATOM 0 HA SER A 57 0.312 8.916 8.247 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.416 9.015 5.585 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.465 7.269 5.723 1.00 0.00 H new ATOM 0 HG SER A 57 -1.648 7.454 5.885 1.00 0.00 H new ATOM 843 N LEU A 58 2.100 6.204 7.711 1.00 0.00 N ATOM 844 CA LEU A 58 2.390 4.868 8.221 1.00 0.00 C ATOM 845 C LEU A 58 2.846 4.927 9.675 1.00 0.00 C ATOM 846 O LEU A 58 2.880 3.910 10.369 1.00 0.00 O ATOM 847 CB LEU A 58 3.466 4.197 7.364 1.00 0.00 C ATOM 848 CG LEU A 58 3.193 4.148 5.861 1.00 0.00 C ATOM 849 CD1 LEU A 58 3.987 3.026 5.210 1.00 0.00 C ATOM 850 CD2 LEU A 58 1.705 3.975 5.594 1.00 0.00 C ATOM 0 H LEU A 58 2.730 6.520 6.974 1.00 0.00 H new ATOM 0 HA LEU A 58 1.474 4.280 8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.409 4.720 7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.603 3.176 7.722 1.00 0.00 H new ATOM 0 HG LEU A 58 3.513 5.093 5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.780 3.007 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.052 3.194 5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.699 2.072 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.530 3.942 4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.360 3.045 6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.158 4.813 6.025 1.00 0.00 H new ATOM 862 N THR A 59 3.194 6.126 10.133 1.00 0.00 N ATOM 863 CA THR A 59 3.647 6.319 11.505 1.00 0.00 C ATOM 864 C THR A 59 2.483 6.674 12.423 1.00 0.00 C ATOM 865 O THR A 59 2.359 6.136 13.523 1.00 0.00 O ATOM 866 CB THR A 59 4.713 7.426 11.594 1.00 0.00 C ATOM 867 OG1 THR A 59 4.358 8.519 10.739 1.00 0.00 O ATOM 868 CG2 THR A 59 6.082 6.892 11.201 1.00 0.00 C ATOM 0 H THR A 59 3.171 6.978 9.573 1.00 0.00 H new ATOM 0 HA THR A 59 4.087 5.376 11.829 1.00 0.00 H new ATOM 0 HB THR A 59 4.759 7.773 12.626 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.041 9.219 10.803 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.819 7.692 11.272 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.362 6.080 11.872 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.047 6.520 10.177 1.00 0.00 H new ATOM 876 N LYS A 60 1.630 7.584 11.963 1.00 0.00 N ATOM 877 CA LYS A 60 0.473 8.011 12.742 1.00 0.00 C ATOM 878 C LYS A 60 -0.495 6.852 12.957 1.00 0.00 C ATOM 879 O LYS A 60 -1.006 6.655 14.060 1.00 0.00 O ATOM 880 CB LYS A 60 -0.244 9.165 12.038 1.00 0.00 C ATOM 881 CG LYS A 60 -1.508 9.619 12.747 1.00 0.00 C ATOM 882 CD LYS A 60 -2.726 8.853 12.261 1.00 0.00 C ATOM 883 CE LYS A 60 -3.372 9.534 11.064 1.00 0.00 C ATOM 884 NZ LYS A 60 -2.588 9.322 9.815 1.00 0.00 N ATOM 0 H LYS A 60 1.718 8.040 11.055 1.00 0.00 H new ATOM 0 HA LYS A 60 0.827 8.351 13.715 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.440 10.010 11.955 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.497 8.859 11.023 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.394 9.478 13.822 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.657 10.686 12.579 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.435 7.838 11.990 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.452 8.771 13.070 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.382 9.148 10.928 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.462 10.603 11.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.217 9.408 8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.835 10.037 9.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.163 8.373 9.829 1.00 0.00 H new ATOM 898 N ASP A 61 -0.743 6.089 11.898 1.00 0.00 N ATOM 899 CA ASP A 61 -1.648 4.949 11.972 1.00 0.00 C ATOM 900 C ASP A 61 -0.886 3.670 12.305 1.00 0.00 C ATOM 901 O ASP A 61 -1.436 2.571 12.240 1.00 0.00 O ATOM 902 CB ASP A 61 -2.399 4.780 10.650 1.00 0.00 C ATOM 903 CG ASP A 61 -3.533 5.775 10.497 1.00 0.00 C ATOM 904 OD1 ASP A 61 -4.298 5.955 11.468 1.00 0.00 O ATOM 905 OD2 ASP A 61 -3.656 6.372 9.407 1.00 0.00 O ATOM 0 H ASP A 61 -0.329 6.240 10.978 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.368 5.139 12.768 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.701 4.899 9.821 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.797 3.767 10.589 1.00 0.00 H new ATOM 910 N LYS A 62 0.386 3.821 12.661 1.00 0.00 N ATOM 911 CA LYS A 62 1.225 2.680 13.005 1.00 0.00 C ATOM 912 C LYS A 62 0.894 1.477 12.127 1.00 0.00 C ATOM 913 O LYS A 62 0.655 0.378 12.627 1.00 0.00 O ATOM 914 CB LYS A 62 1.044 2.313 14.480 1.00 0.00 C ATOM 915 CG LYS A 62 1.037 3.515 15.409 1.00 0.00 C ATOM 916 CD LYS A 62 -0.368 4.061 15.603 1.00 0.00 C ATOM 917 CE LYS A 62 -1.163 3.216 16.586 1.00 0.00 C ATOM 918 NZ LYS A 62 -0.692 3.404 17.986 1.00 0.00 N ATOM 0 H LYS A 62 0.858 4.723 12.719 1.00 0.00 H new ATOM 0 HA LYS A 62 2.264 2.960 12.832 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.108 1.768 14.598 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.846 1.638 14.779 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.455 3.232 16.375 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.679 4.296 15.000 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.314 5.088 15.965 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.885 4.088 14.644 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.219 3.479 16.520 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.078 2.164 16.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.393 3.008 18.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.218 2.917 18.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.571 4.419 18.178 1.00 0.00 H new ATOM 932 N VAL A 63 0.883 1.693 10.815 1.00 0.00 N ATOM 933 CA VAL A 63 0.585 0.626 9.867 1.00 0.00 C ATOM 934 C VAL A 63 1.619 -0.491 9.954 1.00 0.00 C ATOM 935 O VAL A 63 2.803 -0.238 10.170 1.00 0.00 O ATOM 936 CB VAL A 63 0.537 1.156 8.422 1.00 0.00 C ATOM 937 CG1 VAL A 63 0.220 0.029 7.450 1.00 0.00 C ATOM 938 CG2 VAL A 63 -0.482 2.279 8.300 1.00 0.00 C ATOM 0 H VAL A 63 1.077 2.597 10.385 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.395 0.231 10.133 1.00 0.00 H new ATOM 0 HB VAL A 63 1.518 1.557 8.168 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.190 0.422 6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.991 -0.739 7.519 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.748 -0.405 7.699 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.503 2.642 7.272 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.469 1.906 8.573 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.205 3.095 8.967 1.00 0.00 H new ATOM 948 N GLN A 64 1.162 -1.728 9.782 1.00 0.00 N ATOM 949 CA GLN A 64 2.048 -2.884 9.840 1.00 0.00 C ATOM 950 C GLN A 64 1.536 -4.008 8.947 1.00 0.00 C ATOM 951 O GLN A 64 0.506 -3.870 8.287 1.00 0.00 O ATOM 952 CB GLN A 64 2.178 -3.381 11.281 1.00 0.00 C ATOM 953 CG GLN A 64 3.071 -2.507 12.148 1.00 0.00 C ATOM 954 CD GLN A 64 3.601 -3.240 13.365 1.00 0.00 C ATOM 955 OE1 GLN A 64 4.088 -4.366 13.262 1.00 0.00 O ATOM 956 NE2 GLN A 64 3.508 -2.604 14.526 1.00 0.00 N ATOM 0 H GLN A 64 0.184 -1.954 9.602 1.00 0.00 H new ATOM 0 HA GLN A 64 3.029 -2.576 9.479 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.186 -3.431 11.730 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.575 -4.396 11.272 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.909 -2.147 11.552 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.510 -1.630 12.472 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.097 -1.671 14.565 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.848 -3.048 15.379 1.00 0.00 H new ATOM 965 N ALA A 65 2.262 -5.121 8.929 1.00 0.00 N ATOM 966 CA ALA A 65 1.880 -6.270 8.117 1.00 0.00 C ATOM 967 C ALA A 65 0.600 -6.912 8.643 1.00 0.00 C ATOM 968 O ALA A 65 0.414 -7.050 9.851 1.00 0.00 O ATOM 969 CB ALA A 65 3.009 -7.290 8.082 1.00 0.00 C ATOM 0 H ALA A 65 3.118 -5.251 9.468 1.00 0.00 H new ATOM 0 HA ALA A 65 1.690 -5.920 7.102 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.710 -8.143 7.472 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.900 -6.832 7.653 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.226 -7.627 9.096 1.00 0.00 H new ATOM 975 N GLY A 66 -0.280 -7.303 7.726 1.00 0.00 N ATOM 976 CA GLY A 66 -1.531 -7.925 8.117 1.00 0.00 C ATOM 977 C GLY A 66 -2.735 -7.066 7.784 1.00 0.00 C ATOM 978 O GLY A 66 -3.816 -7.583 7.502 1.00 0.00 O ATOM 0 H GLY A 66 -0.149 -7.200 6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.626 -8.888 7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.515 -8.123 9.189 1.00 0.00 H new ATOM 982 N ASP A 67 -2.549 -5.752 7.818 1.00 0.00 N ATOM 983 CA ASP A 67 -3.629 -4.818 7.518 1.00 0.00 C ATOM 984 C ASP A 67 -3.542 -4.334 6.074 1.00 0.00 C ATOM 985 O ASP A 67 -2.481 -3.916 5.611 1.00 0.00 O ATOM 986 CB ASP A 67 -3.581 -3.625 8.474 1.00 0.00 C ATOM 987 CG ASP A 67 -4.361 -3.873 9.749 1.00 0.00 C ATOM 988 OD1 ASP A 67 -5.581 -3.605 9.760 1.00 0.00 O ATOM 989 OD2 ASP A 67 -3.753 -4.335 10.736 1.00 0.00 O ATOM 0 H ASP A 67 -1.660 -5.308 8.050 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.576 -5.341 7.651 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.543 -3.405 8.724 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.982 -2.744 7.972 1.00 0.00 H new ATOM 994 N VAL A 68 -4.667 -4.393 5.367 1.00 0.00 N ATOM 995 CA VAL A 68 -4.718 -3.961 3.976 1.00 0.00 C ATOM 996 C VAL A 68 -4.825 -2.443 3.876 1.00 0.00 C ATOM 997 O VAL A 68 -5.832 -1.854 4.269 1.00 0.00 O ATOM 998 CB VAL A 68 -5.908 -4.598 3.234 1.00 0.00 C ATOM 999 CG1 VAL A 68 -6.052 -4.000 1.842 1.00 0.00 C ATOM 1000 CG2 VAL A 68 -5.742 -6.108 3.160 1.00 0.00 C ATOM 0 H VAL A 68 -5.554 -4.736 5.735 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.790 -4.289 3.508 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.819 -4.382 3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.898 -4.462 1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.220 -2.926 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.141 -4.183 1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.591 -6.542 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.823 -6.347 2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.693 -6.518 4.169 1.00 0.00 H new ATOM 1010 N ILE A 69 -3.780 -1.816 3.347 1.00 0.00 N ATOM 1011 CA ILE A 69 -3.757 -0.366 3.193 1.00 0.00 C ATOM 1012 C ILE A 69 -3.822 0.032 1.723 1.00 0.00 C ATOM 1013 O ILE A 69 -3.546 -0.776 0.836 1.00 0.00 O ATOM 1014 CB ILE A 69 -2.493 0.247 3.824 1.00 0.00 C ATOM 1015 CG1 ILE A 69 -1.239 -0.300 3.140 1.00 0.00 C ATOM 1016 CG2 ILE A 69 -2.455 -0.039 5.318 1.00 0.00 C ATOM 1017 CD1 ILE A 69 -0.781 0.533 1.963 1.00 0.00 C ATOM 0 H ILE A 69 -2.938 -2.289 3.018 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.635 0.020 3.710 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.521 1.327 3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.432 -0.357 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.434 -1.317 2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.556 0.401 5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.335 0.394 5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.447 -1.117 5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.112 0.086 1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.571 0.569 1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.554 1.544 2.300 1.00 0.00 H new ATOM 1029 N THR A 70 -4.187 1.285 1.470 1.00 0.00 N ATOM 1030 CA THR A 70 -4.288 1.792 0.108 1.00 0.00 C ATOM 1031 C THR A 70 -3.223 2.848 -0.166 1.00 0.00 C ATOM 1032 O THR A 70 -2.546 3.313 0.751 1.00 0.00 O ATOM 1033 CB THR A 70 -5.677 2.399 -0.165 1.00 0.00 C ATOM 1034 OG1 THR A 70 -6.059 3.255 0.917 1.00 0.00 O ATOM 1035 CG2 THR A 70 -6.719 1.305 -0.345 1.00 0.00 C ATOM 0 H THR A 70 -4.418 1.968 2.192 1.00 0.00 H new ATOM 0 HA THR A 70 -4.134 0.942 -0.557 1.00 0.00 H new ATOM 0 HB THR A 70 -5.621 2.981 -1.085 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.942 3.638 0.735 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.692 1.757 -0.537 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.441 0.672 -1.188 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.772 0.700 0.560 1.00 0.00 H new ATOM 1043 N ILE A 71 -3.079 3.222 -1.433 1.00 0.00 N ATOM 1044 CA ILE A 71 -2.097 4.224 -1.826 1.00 0.00 C ATOM 1045 C ILE A 71 -2.668 5.171 -2.877 1.00 0.00 C ATOM 1046 O ILE A 71 -2.850 4.793 -4.034 1.00 0.00 O ATOM 1047 CB ILE A 71 -0.817 3.571 -2.381 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -0.099 2.789 -1.280 1.00 0.00 C ATOM 1049 CG2 ILE A 71 0.103 4.628 -2.974 1.00 0.00 C ATOM 1050 CD1 ILE A 71 0.805 1.696 -1.806 1.00 0.00 C ATOM 0 H ILE A 71 -3.630 2.846 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.847 4.789 -0.928 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.096 2.875 -3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.492 3.481 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.842 2.347 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.003 4.151 -3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.411 5.145 -3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.377 5.346 -2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.281 1.184 -0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.216 0.982 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.571 2.134 -2.446 1.00 0.00 H new ATOM 1062 N ASP A 72 -2.946 6.403 -2.466 1.00 0.00 N ATOM 1063 CA ASP A 72 -3.494 7.406 -3.372 1.00 0.00 C ATOM 1064 C ASP A 72 -2.390 8.306 -3.918 1.00 0.00 C ATOM 1065 O ASP A 72 -1.841 9.140 -3.198 1.00 0.00 O ATOM 1066 CB ASP A 72 -4.550 8.250 -2.656 1.00 0.00 C ATOM 1067 CG ASP A 72 -5.626 8.752 -3.598 1.00 0.00 C ATOM 1068 OD1 ASP A 72 -5.275 9.274 -4.676 1.00 0.00 O ATOM 1069 OD2 ASP A 72 -6.820 8.622 -3.256 1.00 0.00 O ATOM 0 H ASP A 72 -2.801 6.731 -1.511 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.962 6.887 -4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.011 7.657 -1.866 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.066 9.100 -2.175 1.00 0.00 H new ATOM 1074 N LYS A 73 -2.068 8.131 -5.195 1.00 0.00 N ATOM 1075 CA LYS A 73 -1.030 8.927 -5.839 1.00 0.00 C ATOM 1076 C LYS A 73 -1.434 10.396 -5.907 1.00 0.00 C ATOM 1077 O LYS A 73 -0.609 11.286 -5.702 1.00 0.00 O ATOM 1078 CB LYS A 73 -0.753 8.397 -7.248 1.00 0.00 C ATOM 1079 CG LYS A 73 0.156 7.180 -7.273 1.00 0.00 C ATOM 1080 CD LYS A 73 -0.631 5.893 -7.095 1.00 0.00 C ATOM 1081 CE LYS A 73 0.250 4.770 -6.568 1.00 0.00 C ATOM 1082 NZ LYS A 73 1.111 4.193 -7.638 1.00 0.00 N ATOM 0 H LYS A 73 -2.511 7.444 -5.805 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.122 8.846 -5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.700 8.142 -7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.300 9.190 -7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.698 7.149 -8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.901 7.265 -6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.457 6.063 -6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.068 5.597 -8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.878 5.149 -5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.376 3.986 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.474 3.268 -7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.552 4.074 -8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.909 4.834 -7.825 1.00 0.00 H new ATOM 1096 N ALA A 74 -2.708 10.642 -6.195 1.00 0.00 N ATOM 1097 CA ALA A 74 -3.221 12.003 -6.286 1.00 0.00 C ATOM 1098 C ALA A 74 -2.558 12.910 -5.255 1.00 0.00 C ATOM 1099 O ALA A 74 -1.921 13.904 -5.606 1.00 0.00 O ATOM 1100 CB ALA A 74 -4.732 12.010 -6.103 1.00 0.00 C ATOM 0 H ALA A 74 -3.403 9.916 -6.369 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.983 12.389 -7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.102 13.033 -6.173 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.195 11.402 -6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.982 11.600 -5.124 1.00 0.00 H new ATOM 1106 N THR A 75 -2.711 12.563 -3.981 1.00 0.00 N ATOM 1107 CA THR A 75 -2.128 13.347 -2.900 1.00 0.00 C ATOM 1108 C THR A 75 -0.915 12.643 -2.302 1.00 0.00 C ATOM 1109 O THR A 75 -0.085 13.268 -1.643 1.00 0.00 O ATOM 1110 CB THR A 75 -3.155 13.612 -1.782 1.00 0.00 C ATOM 1111 OG1 THR A 75 -2.532 14.316 -0.702 1.00 0.00 O ATOM 1112 CG2 THR A 75 -3.747 12.308 -1.270 1.00 0.00 C ATOM 0 H THR A 75 -3.234 11.743 -3.673 1.00 0.00 H new ATOM 0 HA THR A 75 -1.817 14.298 -3.332 1.00 0.00 H new ATOM 0 HB THR A 75 -3.960 14.220 -2.195 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.191 14.482 0.004 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.469 12.521 -0.482 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.246 11.789 -2.088 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.951 11.678 -0.873 1.00 0.00 H new ATOM 1120 N GLY A 76 -0.817 11.338 -2.539 1.00 0.00 N ATOM 1121 CA GLY A 76 0.299 10.571 -2.018 1.00 0.00 C ATOM 1122 C GLY A 76 0.088 10.144 -0.579 1.00 0.00 C ATOM 1123 O GLY A 76 1.046 9.980 0.176 1.00 0.00 O ATOM 0 H GLY A 76 -1.491 10.799 -3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.449 9.687 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.209 11.167 -2.087 1.00 0.00 H new ATOM 1127 N LYS A 77 -1.172 9.965 -0.196 1.00 0.00 N ATOM 1128 CA LYS A 77 -1.508 9.555 1.162 1.00 0.00 C ATOM 1129 C LYS A 77 -1.801 8.059 1.222 1.00 0.00 C ATOM 1130 O LYS A 77 -2.216 7.458 0.231 1.00 0.00 O ATOM 1131 CB LYS A 77 -2.718 10.342 1.670 1.00 0.00 C ATOM 1132 CG LYS A 77 -2.401 11.786 2.019 1.00 0.00 C ATOM 1133 CD LYS A 77 -1.941 11.923 3.461 1.00 0.00 C ATOM 1134 CE LYS A 77 -1.535 13.353 3.782 1.00 0.00 C ATOM 1135 NZ LYS A 77 -0.092 13.596 3.503 1.00 0.00 N ATOM 0 H LYS A 77 -1.977 10.098 -0.808 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.650 9.766 1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.498 10.324 0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.121 9.844 2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.625 12.161 1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.285 12.403 1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.743 11.612 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.098 11.255 3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.140 14.043 3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.742 13.563 4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.145 14.582 3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.486 12.955 4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.101 13.421 2.496 1.00 0.00 H new ATOM 1149 N ILE A 78 -1.582 7.464 2.390 1.00 0.00 N ATOM 1150 CA ILE A 78 -1.825 6.039 2.579 1.00 0.00 C ATOM 1151 C ILE A 78 -2.811 5.795 3.716 1.00 0.00 C ATOM 1152 O ILE A 78 -2.539 6.128 4.869 1.00 0.00 O ATOM 1153 CB ILE A 78 -0.518 5.280 2.876 1.00 0.00 C ATOM 1154 CG1 ILE A 78 0.368 5.238 1.629 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -0.823 3.872 3.364 1.00 0.00 C ATOM 1156 CD1 ILE A 78 1.839 5.075 1.938 1.00 0.00 C ATOM 0 H ILE A 78 -1.237 7.947 3.220 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.249 5.665 1.647 1.00 0.00 H new ATOM 0 HB ILE A 78 0.021 5.808 3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.046 4.415 0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.224 6.157 1.060 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.110 3.348 3.570 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.419 3.924 4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.380 3.334 2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.406 5.053 1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.177 5.911 2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.996 4.142 2.480 1.00 0.00 H new ATOM 1168 N SER A 79 -3.957 5.210 3.382 1.00 0.00 N ATOM 1169 CA SER A 79 -4.986 4.923 4.375 1.00 0.00 C ATOM 1170 C SER A 79 -5.045 3.429 4.679 1.00 0.00 C ATOM 1171 O SER A 79 -4.692 2.598 3.841 1.00 0.00 O ATOM 1172 CB SER A 79 -6.350 5.409 3.882 1.00 0.00 C ATOM 1173 OG SER A 79 -6.328 6.800 3.611 1.00 0.00 O ATOM 0 H SER A 79 -4.196 4.926 2.432 1.00 0.00 H new ATOM 0 HA SER A 79 -4.729 5.453 5.292 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.630 4.864 2.980 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.110 5.194 4.633 1.00 0.00 H new ATOM 0 HG SER A 79 -7.211 7.086 3.296 1.00 0.00 H new ATOM 1179 N LYS A 80 -5.495 3.094 5.883 1.00 0.00 N ATOM 1180 CA LYS A 80 -5.603 1.701 6.300 1.00 0.00 C ATOM 1181 C LYS A 80 -7.052 1.228 6.245 1.00 0.00 C ATOM 1182 O LYS A 80 -7.969 1.955 6.631 1.00 0.00 O ATOM 1183 CB LYS A 80 -5.052 1.527 7.717 1.00 0.00 C ATOM 1184 CG LYS A 80 -4.564 0.119 8.011 1.00 0.00 C ATOM 1185 CD LYS A 80 -4.391 -0.111 9.503 1.00 0.00 C ATOM 1186 CE LYS A 80 -3.071 0.455 10.005 1.00 0.00 C ATOM 1187 NZ LYS A 80 -2.860 0.172 11.452 1.00 0.00 N ATOM 0 H LYS A 80 -5.791 3.769 6.588 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.015 1.095 5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.229 2.226 7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.829 1.791 8.435 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.274 -0.604 7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.615 -0.052 7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.216 0.354 10.042 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.434 -1.179 9.715 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.250 0.029 9.428 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.051 1.532 9.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.348 0.964 11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.781 0.054 11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.304 -0.700 11.558 1.00 0.00 H new ATOM 1201 N LEU A 81 -7.253 0.005 5.765 1.00 0.00 N ATOM 1202 CA LEU A 81 -8.591 -0.566 5.662 1.00 0.00 C ATOM 1203 C LEU A 81 -8.705 -1.839 6.494 1.00 0.00 C ATOM 1204 O LEU A 81 -7.702 -2.472 6.821 1.00 0.00 O ATOM 1205 CB LEU A 81 -8.927 -0.867 4.200 1.00 0.00 C ATOM 1206 CG LEU A 81 -8.265 0.038 3.160 1.00 0.00 C ATOM 1207 CD1 LEU A 81 -8.608 -0.427 1.753 1.00 0.00 C ATOM 1208 CD2 LEU A 81 -8.691 1.485 3.363 1.00 0.00 C ATOM 0 H LEU A 81 -6.506 -0.610 5.441 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.302 0.164 6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.644 -1.898 3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.008 -0.801 4.075 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.184 -0.023 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.128 0.229 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.253 -1.448 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.688 -0.395 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.210 2.114 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.773 1.563 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.395 1.815 4.359 1.00 0.00 H new