USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 548 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.361 K(o=-0.36,f=-1.2) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 24 SER OG : rot 77:sc= 1.26 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.508 USER MOD Single : A 29 GLN : amide:sc= 0.509 K(o=0.51,f=-0.031) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc=-0.00663 (180deg=-0.0905) USER MOD Single : A 34 THR OG1 : rot 85:sc= 0.983 USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 0.758 (180deg=0.726) USER MOD Single : A 37 ASN : amide:sc=-0.000726 X(o=-0.00073,f=-0.048) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.28) USER MOD Single : A 46 TYR OH : rot 15:sc= 0.176 USER MOD Single : A 48 SER OG : rot 83:sc= 0.093 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 55 ASN : amide:sc= -0.355 K(o=-0.36,f=-4.2!) USER MOD Single : A 56 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.5!) USER MOD Single : A 60 LYS NZ :NH3+ 165:sc= 2.51 (180deg=2.27) USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= -0.0109 (180deg=-0.147) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 13 -9.241 1.723 -9.808 1.00 0.00 N ATOM 152 CA GLU A 13 -8.047 2.538 -9.614 1.00 0.00 C ATOM 153 C GLU A 13 -7.292 2.119 -8.349 1.00 0.00 C ATOM 154 O GLU A 13 -6.070 1.980 -8.377 1.00 0.00 O ATOM 155 CB GLU A 13 -8.424 4.023 -9.542 1.00 0.00 C ATOM 156 CG GLU A 13 -8.550 4.669 -10.924 1.00 0.00 C ATOM 157 CD GLU A 13 -8.481 6.191 -10.818 1.00 0.00 C ATOM 158 OE1 GLU A 13 -9.439 6.835 -10.329 1.00 0.00 O ATOM 159 OE2 GLU A 13 -7.454 6.777 -11.224 1.00 0.00 O ATOM 0 HA GLU A 13 -7.388 2.381 -10.468 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.369 4.128 -9.009 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.670 4.557 -8.963 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.752 4.308 -11.573 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.493 4.374 -11.384 1.00 0.00 H new ATOM 166 N VAL A 14 -8.019 1.889 -7.252 1.00 0.00 N ATOM 167 CA VAL A 14 -7.461 1.436 -5.981 1.00 0.00 C ATOM 168 C VAL A 14 -6.720 0.112 -6.202 1.00 0.00 C ATOM 169 O VAL A 14 -5.511 0.058 -5.972 1.00 0.00 O ATOM 170 CB VAL A 14 -8.591 1.412 -4.925 1.00 0.00 C ATOM 171 CG1 VAL A 14 -8.260 0.698 -3.616 1.00 0.00 C ATOM 172 CG2 VAL A 14 -8.924 2.846 -4.506 1.00 0.00 C ATOM 0 H VAL A 14 -9.031 2.016 -7.225 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.708 2.117 -5.584 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.399 0.875 -5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.122 0.742 -2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.013 -0.343 -3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.409 1.186 -3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.720 2.832 -3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.037 3.316 -4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.252 3.413 -5.377 1.00 0.00 H new ATOM 182 N GLY A 15 -7.402 -0.909 -6.729 1.00 0.00 N ATOM 183 CA GLY A 15 -6.816 -2.211 -7.008 1.00 0.00 C ATOM 184 C GLY A 15 -5.588 -2.124 -7.902 1.00 0.00 C ATOM 185 O GLY A 15 -4.615 -2.831 -7.647 1.00 0.00 O ATOM 0 H GLY A 15 -8.390 -0.847 -6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.543 -2.691 -6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.563 -2.846 -7.484 1.00 0.00 H new ATOM 189 N LYS A 16 -5.597 -1.259 -8.919 1.00 0.00 N ATOM 190 CA LYS A 16 -4.446 -1.058 -9.788 1.00 0.00 C ATOM 191 C LYS A 16 -3.258 -0.577 -8.965 1.00 0.00 C ATOM 192 O LYS A 16 -2.213 -1.223 -9.011 1.00 0.00 O ATOM 193 CB LYS A 16 -4.804 -0.076 -10.913 1.00 0.00 C ATOM 194 CG LYS A 16 -3.637 0.220 -11.864 1.00 0.00 C ATOM 195 CD LYS A 16 -3.284 -0.944 -12.792 1.00 0.00 C ATOM 196 CE LYS A 16 -2.363 -0.390 -13.884 1.00 0.00 C ATOM 197 NZ LYS A 16 -2.142 -1.362 -14.964 1.00 0.00 N ATOM 0 H LYS A 16 -6.403 -0.682 -9.159 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.165 -2.002 -10.255 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.636 -0.483 -11.488 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.148 0.859 -10.472 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.886 1.092 -12.469 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.758 0.482 -11.275 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.788 -1.741 -12.238 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.185 -1.374 -13.230 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.798 0.519 -14.298 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.405 -0.113 -13.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.514 -0.947 -15.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.703 -2.220 -14.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.053 -1.607 -15.402 1.00 0.00 H new ATOM 211 N VAL A 17 -3.386 0.545 -8.249 1.00 0.00 N ATOM 212 CA VAL A 17 -2.272 1.101 -7.481 1.00 0.00 C ATOM 213 C VAL A 17 -1.830 0.109 -6.408 1.00 0.00 C ATOM 214 O VAL A 17 -0.645 0.065 -6.099 1.00 0.00 O ATOM 215 CB VAL A 17 -2.647 2.467 -6.860 1.00 0.00 C ATOM 216 CG1 VAL A 17 -1.486 3.080 -6.063 1.00 0.00 C ATOM 217 CG2 VAL A 17 -3.042 3.500 -7.923 1.00 0.00 C ATOM 0 H VAL A 17 -4.250 1.084 -8.187 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.436 1.273 -8.159 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.491 2.251 -6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.797 4.038 -5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.204 2.406 -5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.632 3.231 -6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.297 4.442 -7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.207 3.657 -8.606 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.904 3.135 -8.482 1.00 0.00 H new ATOM 227 N ILE A 18 -2.726 -0.702 -5.846 1.00 0.00 N ATOM 228 CA ILE A 18 -2.349 -1.713 -4.870 1.00 0.00 C ATOM 229 C ILE A 18 -1.474 -2.763 -5.552 1.00 0.00 C ATOM 230 O ILE A 18 -0.342 -2.980 -5.117 1.00 0.00 O ATOM 231 CB ILE A 18 -3.610 -2.275 -4.180 1.00 0.00 C ATOM 232 CG1 ILE A 18 -4.088 -1.190 -3.195 1.00 0.00 C ATOM 233 CG2 ILE A 18 -3.308 -3.544 -3.388 1.00 0.00 C ATOM 234 CD1 ILE A 18 -5.564 -1.276 -2.858 1.00 0.00 C ATOM 0 H ILE A 18 -3.724 -0.674 -6.055 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.747 -1.286 -4.068 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.357 -2.526 -4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.510 -1.268 -2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.879 -0.209 -3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.223 -3.906 -2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.918 -4.308 -4.060 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.567 -3.325 -2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.825 -0.480 -2.160 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.152 -1.167 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.777 -2.243 -2.402 1.00 0.00 H new ATOM 246 N GLN A 19 -1.968 -3.387 -6.623 1.00 0.00 N ATOM 247 CA GLN A 19 -1.271 -4.418 -7.371 1.00 0.00 C ATOM 248 C GLN A 19 0.130 -3.937 -7.766 1.00 0.00 C ATOM 249 O GLN A 19 1.127 -4.618 -7.489 1.00 0.00 O ATOM 250 CB GLN A 19 -2.148 -4.794 -8.578 1.00 0.00 C ATOM 251 CG GLN A 19 -1.823 -6.183 -9.121 1.00 0.00 C ATOM 252 CD GLN A 19 -2.831 -6.617 -10.178 1.00 0.00 C ATOM 253 OE1 GLN A 19 -2.666 -6.377 -11.371 1.00 0.00 O ATOM 254 NE2 GLN A 19 -3.909 -7.259 -9.772 1.00 0.00 N ATOM 0 H GLN A 19 -2.892 -3.178 -7.000 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.115 -5.312 -6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.198 -4.757 -8.287 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.010 -4.056 -9.368 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.821 -6.182 -9.550 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.819 -6.903 -8.303 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.042 -7.456 -8.780 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.610 -7.558 -10.450 1.00 0.00 H new ATOM 263 N GLN A 20 0.189 -2.734 -8.338 1.00 0.00 N ATOM 264 CA GLN A 20 1.387 -2.068 -8.801 1.00 0.00 C ATOM 265 C GLN A 20 2.316 -1.701 -7.650 1.00 0.00 C ATOM 266 O GLN A 20 3.503 -2.029 -7.683 1.00 0.00 O ATOM 267 CB GLN A 20 0.953 -0.815 -9.570 1.00 0.00 C ATOM 268 CG GLN A 20 0.547 -1.139 -11.014 1.00 0.00 C ATOM 269 CD GLN A 20 1.109 -0.087 -11.953 1.00 0.00 C ATOM 270 OE1 GLN A 20 0.423 0.868 -12.306 1.00 0.00 O ATOM 271 NE2 GLN A 20 2.375 -0.199 -12.308 1.00 0.00 N ATOM 0 H GLN A 20 -0.649 -2.175 -8.495 1.00 0.00 H new ATOM 0 HA GLN A 20 1.951 -2.741 -9.447 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.115 -0.345 -9.055 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.769 -0.093 -9.576 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.918 -2.125 -11.294 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.539 -1.172 -11.098 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.922 -1.003 -12.000 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.807 0.519 -12.890 1.00 0.00 H new ATOM 280 N GLY A 21 1.813 -1.003 -6.638 1.00 0.00 N ATOM 281 CA GLY A 21 2.597 -0.476 -5.534 1.00 0.00 C ATOM 282 C GLY A 21 3.218 -1.592 -4.708 1.00 0.00 C ATOM 283 O GLY A 21 4.350 -1.437 -4.238 1.00 0.00 O ATOM 0 H GLY A 21 0.820 -0.783 -6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.383 0.172 -5.922 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.962 0.140 -4.897 1.00 0.00 H new ATOM 287 N ARG A 22 2.514 -2.722 -4.576 1.00 0.00 N ATOM 288 CA ARG A 22 3.065 -3.947 -4.032 1.00 0.00 C ATOM 289 C ARG A 22 4.165 -4.498 -4.920 1.00 0.00 C ATOM 290 O ARG A 22 5.245 -4.777 -4.410 1.00 0.00 O ATOM 291 CB ARG A 22 1.966 -4.999 -3.916 1.00 0.00 C ATOM 292 CG ARG A 22 1.084 -4.760 -2.706 1.00 0.00 C ATOM 293 CD ARG A 22 0.371 -6.042 -2.268 1.00 0.00 C ATOM 294 NE ARG A 22 -0.620 -6.518 -3.242 1.00 0.00 N ATOM 295 CZ ARG A 22 -0.412 -7.307 -4.298 1.00 0.00 C ATOM 296 NH1 ARG A 22 0.745 -7.943 -4.467 1.00 0.00 N ATOM 297 NH2 ARG A 22 -1.374 -7.476 -5.197 1.00 0.00 N ATOM 0 H ARG A 22 1.535 -2.802 -4.850 1.00 0.00 H new ATOM 0 HA ARG A 22 3.481 -3.717 -3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.355 -4.988 -4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.416 -5.989 -3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.689 -4.380 -1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.345 -3.993 -2.939 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.113 -6.824 -2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.124 -5.866 -1.313 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.581 -6.209 -3.094 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.493 -7.832 -3.782 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.884 -8.542 -5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.270 -7.003 -5.080 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.217 -8.079 -6.005 1.00 0.00 H new ATOM 311 N GLN A 23 3.917 -4.655 -6.223 1.00 0.00 N ATOM 312 CA GLN A 23 4.918 -5.108 -7.194 1.00 0.00 C ATOM 313 C GLN A 23 6.201 -4.274 -7.105 1.00 0.00 C ATOM 314 O GLN A 23 7.312 -4.783 -7.247 1.00 0.00 O ATOM 315 CB GLN A 23 4.350 -4.991 -8.624 1.00 0.00 C ATOM 316 CG GLN A 23 4.131 -6.342 -9.298 1.00 0.00 C ATOM 317 CD GLN A 23 4.073 -6.229 -10.824 1.00 0.00 C ATOM 318 OE1 GLN A 23 3.649 -5.215 -11.389 1.00 0.00 O ATOM 319 NE2 GLN A 23 4.541 -7.231 -11.541 1.00 0.00 N ATOM 0 H GLN A 23 3.004 -4.469 -6.639 1.00 0.00 H new ATOM 0 HA GLN A 23 5.157 -6.146 -6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.403 -4.453 -8.589 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.032 -4.396 -9.231 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.936 -7.020 -9.017 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.202 -6.781 -8.933 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.892 -8.069 -11.078 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.552 -7.168 -12.559 1.00 0.00 H new ATOM 328 N SER A 24 6.034 -2.977 -6.873 1.00 0.00 N ATOM 329 CA SER A 24 7.082 -1.972 -6.765 1.00 0.00 C ATOM 330 C SER A 24 7.863 -2.073 -5.436 1.00 0.00 C ATOM 331 O SER A 24 8.792 -1.298 -5.198 1.00 0.00 O ATOM 332 CB SER A 24 6.419 -0.598 -6.920 1.00 0.00 C ATOM 333 OG SER A 24 5.626 -0.509 -8.096 1.00 0.00 O ATOM 0 H SER A 24 5.105 -2.576 -6.748 1.00 0.00 H new ATOM 0 HA SER A 24 7.822 -2.133 -7.549 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.796 -0.398 -6.049 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.189 0.173 -6.945 1.00 0.00 H new ATOM 0 HG SER A 24 4.779 -0.982 -7.956 1.00 0.00 H new ATOM 339 N LYS A 25 7.477 -2.996 -4.549 1.00 0.00 N ATOM 340 CA LYS A 25 8.056 -3.261 -3.232 1.00 0.00 C ATOM 341 C LYS A 25 8.206 -4.770 -2.981 1.00 0.00 C ATOM 342 O LYS A 25 8.547 -5.139 -1.861 1.00 0.00 O ATOM 343 CB LYS A 25 7.180 -2.579 -2.162 1.00 0.00 C ATOM 344 CG LYS A 25 7.467 -1.074 -2.065 1.00 0.00 C ATOM 345 CD LYS A 25 6.528 -0.371 -1.079 1.00 0.00 C ATOM 346 CE LYS A 25 6.958 -0.546 0.383 1.00 0.00 C ATOM 347 NZ LYS A 25 7.914 0.494 0.823 1.00 0.00 N ATOM 0 H LYS A 25 6.696 -3.621 -4.749 1.00 0.00 H new ATOM 0 HA LYS A 25 9.062 -2.845 -3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.128 -2.734 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.359 -3.046 -1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.500 -0.922 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.362 -0.621 -3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.490 0.692 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.518 -0.762 -1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.076 -0.518 1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.412 -1.529 0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.172 0.330 1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.769 0.452 0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.474 1.432 0.730 1.00 0.00 H new ATOM 361 N GLY A 26 7.947 -5.628 -3.974 1.00 0.00 N ATOM 362 CA GLY A 26 8.065 -7.078 -3.863 1.00 0.00 C ATOM 363 C GLY A 26 7.062 -7.733 -2.901 1.00 0.00 C ATOM 364 O GLY A 26 7.334 -8.836 -2.424 1.00 0.00 O ATOM 0 H GLY A 26 7.642 -5.321 -4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.937 -7.516 -4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.075 -7.322 -3.535 1.00 0.00 H new ATOM 368 N LEU A 27 5.936 -7.079 -2.583 1.00 0.00 N ATOM 369 CA LEU A 27 5.035 -7.526 -1.512 1.00 0.00 C ATOM 370 C LEU A 27 3.924 -8.416 -2.068 1.00 0.00 C ATOM 371 O LEU A 27 3.260 -8.058 -3.046 1.00 0.00 O ATOM 372 CB LEU A 27 4.378 -6.336 -0.786 1.00 0.00 C ATOM 373 CG LEU A 27 5.354 -5.252 -0.294 1.00 0.00 C ATOM 374 CD1 LEU A 27 4.610 -3.972 0.101 1.00 0.00 C ATOM 375 CD2 LEU A 27 6.176 -5.754 0.892 1.00 0.00 C ATOM 0 H LEU A 27 5.626 -6.231 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 27 5.648 -8.087 -0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.655 -5.874 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.820 -6.716 0.070 1.00 0.00 H new ATOM 0 HG LEU A 27 6.027 -5.024 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.327 -3.226 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.068 -3.585 -0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.905 -4.193 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.858 -4.969 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.508 -6.021 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.750 -6.631 0.592 1.00 0.00 H new ATOM 387 N THR A 28 3.629 -9.529 -1.404 1.00 0.00 N ATOM 388 CA THR A 28 2.385 -10.260 -1.637 1.00 0.00 C ATOM 389 C THR A 28 1.215 -9.504 -0.985 1.00 0.00 C ATOM 390 O THR A 28 1.415 -8.594 -0.171 1.00 0.00 O ATOM 391 CB THR A 28 2.508 -11.683 -1.068 1.00 0.00 C ATOM 392 OG1 THR A 28 2.644 -11.586 0.335 1.00 0.00 O ATOM 393 CG2 THR A 28 3.679 -12.454 -1.691 1.00 0.00 C ATOM 0 H THR A 28 4.235 -9.947 -0.698 1.00 0.00 H new ATOM 0 HA THR A 28 2.194 -10.334 -2.707 1.00 0.00 H new ATOM 0 HB THR A 28 1.611 -12.249 -1.318 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.722 -12.484 0.719 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.727 -13.454 -1.259 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.532 -12.531 -2.768 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.611 -11.926 -1.489 1.00 0.00 H new ATOM 401 N GLN A 29 -0.023 -9.926 -1.263 1.00 0.00 N ATOM 402 CA GLN A 29 -1.188 -9.481 -0.496 1.00 0.00 C ATOM 403 C GLN A 29 -1.104 -9.931 0.971 1.00 0.00 C ATOM 404 O GLN A 29 -1.625 -9.251 1.853 1.00 0.00 O ATOM 405 CB GLN A 29 -2.465 -10.022 -1.152 1.00 0.00 C ATOM 406 CG GLN A 29 -2.739 -9.283 -2.467 1.00 0.00 C ATOM 407 CD GLN A 29 -3.875 -9.883 -3.254 1.00 0.00 C ATOM 408 OE1 GLN A 29 -3.743 -10.958 -3.835 1.00 0.00 O ATOM 409 NE2 GLN A 29 -4.978 -9.186 -3.369 1.00 0.00 N ATOM 0 H GLN A 29 -0.243 -10.577 -2.016 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.209 -8.391 -0.500 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.361 -11.090 -1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.310 -9.900 -0.475 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.966 -8.239 -2.250 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.836 -9.293 -3.078 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.072 -8.296 -2.880 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.743 -9.534 -3.947 1.00 0.00 H new ATOM 418 N LYS A 30 -0.439 -11.056 1.255 1.00 0.00 N ATOM 419 CA LYS A 30 -0.265 -11.579 2.609 1.00 0.00 C ATOM 420 C LYS A 30 0.692 -10.700 3.411 1.00 0.00 C ATOM 421 O LYS A 30 0.460 -10.450 4.601 1.00 0.00 O ATOM 422 CB LYS A 30 0.201 -13.045 2.521 1.00 0.00 C ATOM 423 CG LYS A 30 -0.654 -14.014 3.349 1.00 0.00 C ATOM 424 CD LYS A 30 -0.466 -13.853 4.864 1.00 0.00 C ATOM 425 CE LYS A 30 -0.645 -15.192 5.595 1.00 0.00 C ATOM 426 NZ LYS A 30 -1.996 -15.786 5.458 1.00 0.00 N ATOM 0 H LYS A 30 -0.001 -11.635 0.538 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.214 -11.558 3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.185 -13.360 1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.236 -13.109 2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.705 -13.861 3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.406 -15.037 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.528 -13.455 5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.185 -13.129 5.247 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.091 -15.901 5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.431 -15.046 6.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.005 -16.731 5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.692 -15.179 5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.240 -15.865 4.450 1.00 0.00 H new ATOM 440 N ASP A 31 1.726 -10.173 2.756 1.00 0.00 N ATOM 441 CA ASP A 31 2.599 -9.181 3.365 1.00 0.00 C ATOM 442 C ASP A 31 1.821 -7.905 3.614 1.00 0.00 C ATOM 443 O ASP A 31 2.046 -7.254 4.630 1.00 0.00 O ATOM 444 CB ASP A 31 3.825 -8.855 2.495 1.00 0.00 C ATOM 445 CG ASP A 31 5.133 -9.411 3.058 1.00 0.00 C ATOM 446 OD1 ASP A 31 5.150 -10.174 4.055 1.00 0.00 O ATOM 447 OD2 ASP A 31 6.192 -9.010 2.535 1.00 0.00 O ATOM 0 H ASP A 31 1.977 -10.421 1.799 1.00 0.00 H new ATOM 0 HA ASP A 31 2.960 -9.606 4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.669 -9.257 1.494 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.912 -7.773 2.394 1.00 0.00 H new ATOM 452 N LEU A 32 0.915 -7.533 2.710 1.00 0.00 N ATOM 453 CA LEU A 32 0.188 -6.278 2.801 1.00 0.00 C ATOM 454 C LEU A 32 -0.768 -6.279 3.983 1.00 0.00 C ATOM 455 O LEU A 32 -0.753 -5.356 4.793 1.00 0.00 O ATOM 456 CB LEU A 32 -0.561 -6.023 1.492 1.00 0.00 C ATOM 457 CG LEU A 32 -0.602 -4.539 1.112 1.00 0.00 C ATOM 458 CD1 LEU A 32 -1.300 -3.637 2.139 1.00 0.00 C ATOM 459 CD2 LEU A 32 0.820 -4.020 0.836 1.00 0.00 C ATOM 0 H LEU A 32 0.668 -8.096 1.896 1.00 0.00 H new ATOM 0 HA LEU A 32 0.903 -5.471 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.084 -6.586 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.580 -6.399 1.582 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.210 -4.486 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.282 -2.605 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.333 -3.960 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.781 -3.704 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.776 -2.965 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.432 -4.142 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.261 -4.586 0.015 1.00 0.00 H new ATOM 471 N ALA A 33 -1.547 -7.352 4.100 1.00 0.00 N ATOM 472 CA ALA A 33 -2.417 -7.643 5.228 1.00 0.00 C ATOM 473 C ALA A 33 -1.634 -7.460 6.527 1.00 0.00 C ATOM 474 O ALA A 33 -2.071 -6.752 7.429 1.00 0.00 O ATOM 475 CB ALA A 33 -2.895 -9.083 5.063 1.00 0.00 C ATOM 0 H ALA A 33 -1.588 -8.071 3.378 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.275 -6.972 5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.553 -9.345 5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.438 -9.181 4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.035 -9.753 5.057 1.00 0.00 H new ATOM 481 N THR A 34 -0.442 -8.050 6.594 1.00 0.00 N ATOM 482 CA THR A 34 0.470 -7.903 7.714 1.00 0.00 C ATOM 483 C THR A 34 0.891 -6.432 7.912 1.00 0.00 C ATOM 484 O THR A 34 0.766 -5.912 9.018 1.00 0.00 O ATOM 485 CB THR A 34 1.641 -8.871 7.484 1.00 0.00 C ATOM 486 OG1 THR A 34 1.154 -10.197 7.330 1.00 0.00 O ATOM 487 CG2 THR A 34 2.613 -8.845 8.656 1.00 0.00 C ATOM 0 H THR A 34 -0.081 -8.654 5.855 1.00 0.00 H new ATOM 0 HA THR A 34 -0.013 -8.167 8.655 1.00 0.00 H new ATOM 0 HB THR A 34 2.161 -8.552 6.581 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.894 -10.344 6.397 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.431 -9.540 8.466 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.012 -7.838 8.775 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.092 -9.139 9.567 1.00 0.00 H new ATOM 495 N LYS A 35 1.313 -5.733 6.850 1.00 0.00 N ATOM 496 CA LYS A 35 1.748 -4.336 6.827 1.00 0.00 C ATOM 497 C LYS A 35 0.693 -3.341 7.319 1.00 0.00 C ATOM 498 O LYS A 35 1.018 -2.164 7.486 1.00 0.00 O ATOM 499 CB LYS A 35 2.163 -3.965 5.384 1.00 0.00 C ATOM 500 CG LYS A 35 3.628 -3.538 5.313 1.00 0.00 C ATOM 501 CD LYS A 35 4.071 -3.158 3.892 1.00 0.00 C ATOM 502 CE LYS A 35 5.409 -2.402 3.876 1.00 0.00 C ATOM 503 NZ LYS A 35 5.267 -0.972 4.240 1.00 0.00 N ATOM 0 H LYS A 35 1.362 -6.159 5.925 1.00 0.00 H new ATOM 0 HA LYS A 35 2.585 -4.260 7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.000 -4.819 4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.530 -3.157 5.019 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.786 -2.688 5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.256 -4.350 5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.160 -4.061 3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.302 -2.540 3.428 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.100 -2.881 4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.851 -2.477 2.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.209 -0.541 4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.728 -0.477 3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.764 -0.893 5.147 1.00 0.00 H new ATOM 517 N ILE A 36 -0.562 -3.755 7.493 1.00 0.00 N ATOM 518 CA ILE A 36 -1.626 -2.904 8.016 1.00 0.00 C ATOM 519 C ILE A 36 -2.373 -3.559 9.183 1.00 0.00 C ATOM 520 O ILE A 36 -3.309 -2.954 9.713 1.00 0.00 O ATOM 521 CB ILE A 36 -2.574 -2.475 6.878 1.00 0.00 C ATOM 522 CG1 ILE A 36 -3.427 -3.620 6.301 1.00 0.00 C ATOM 523 CG2 ILE A 36 -1.804 -1.758 5.756 1.00 0.00 C ATOM 524 CD1 ILE A 36 -4.607 -3.066 5.499 1.00 0.00 C ATOM 0 H ILE A 36 -0.870 -4.702 7.272 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.168 -2.005 8.427 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.277 -1.779 7.336 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.811 -4.252 5.661 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.795 -4.249 7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.498 -1.467 4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.318 -0.869 6.159 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.049 -2.429 5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.196 -3.892 5.101 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.233 -2.454 6.148 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.233 -2.457 4.676 1.00 0.00 H new ATOM 536 N ASN A 37 -1.982 -4.775 9.570 1.00 0.00 N ATOM 537 CA ASN A 37 -2.728 -5.706 10.408 1.00 0.00 C ATOM 538 C ASN A 37 -4.207 -5.758 10.033 1.00 0.00 C ATOM 539 O ASN A 37 -5.074 -5.190 10.704 1.00 0.00 O ATOM 540 CB ASN A 37 -2.496 -5.406 11.882 1.00 0.00 C ATOM 541 CG ASN A 37 -3.170 -6.430 12.783 1.00 0.00 C ATOM 542 OD1 ASN A 37 -2.935 -7.630 12.657 1.00 0.00 O ATOM 543 ND2 ASN A 37 -3.933 -5.965 13.759 1.00 0.00 N ATOM 0 H ASN A 37 -1.079 -5.156 9.287 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.346 -6.710 10.223 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.425 -5.393 12.085 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.877 -4.412 12.114 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.345 -6.608 14.435 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.109 -4.963 13.836 1.00 0.00 H new ATOM 550 N GLU A 38 -4.476 -6.446 8.933 1.00 0.00 N ATOM 551 CA GLU A 38 -5.774 -6.867 8.436 1.00 0.00 C ATOM 552 C GLU A 38 -5.633 -8.304 7.938 1.00 0.00 C ATOM 553 O GLU A 38 -4.548 -8.890 8.020 1.00 0.00 O ATOM 554 CB GLU A 38 -6.224 -5.940 7.293 1.00 0.00 C ATOM 555 CG GLU A 38 -6.710 -4.563 7.770 1.00 0.00 C ATOM 556 CD GLU A 38 -7.766 -4.585 8.878 1.00 0.00 C ATOM 557 OE1 GLU A 38 -8.537 -5.566 9.001 1.00 0.00 O ATOM 558 OE2 GLU A 38 -7.800 -3.604 9.655 1.00 0.00 O ATOM 0 H GLU A 38 -3.725 -6.749 8.313 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.526 -6.814 9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.394 -5.803 6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.026 -6.426 6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.849 -3.996 8.124 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.117 -4.024 6.914 1.00 0.00 H new ATOM 565 N LYS A 39 -6.715 -8.893 7.424 1.00 0.00 N ATOM 566 CA LYS A 39 -6.678 -10.226 6.832 1.00 0.00 C ATOM 567 C LYS A 39 -6.322 -10.119 5.354 1.00 0.00 C ATOM 568 O LYS A 39 -6.873 -9.271 4.657 1.00 0.00 O ATOM 569 CB LYS A 39 -8.039 -10.919 6.975 1.00 0.00 C ATOM 570 CG LYS A 39 -8.452 -11.088 8.437 1.00 0.00 C ATOM 571 CD LYS A 39 -7.662 -12.171 9.183 1.00 0.00 C ATOM 572 CE LYS A 39 -8.148 -12.234 10.634 1.00 0.00 C ATOM 573 NZ LYS A 39 -7.302 -13.113 11.463 1.00 0.00 N ATOM 0 H LYS A 39 -7.638 -8.458 7.408 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.925 -10.816 7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.797 -10.338 6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.999 -11.897 6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.323 -10.137 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.513 -11.332 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.799 -13.138 8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.596 -11.947 9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.153 -11.230 11.059 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.176 -12.594 10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.666 -13.127 12.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.317 -14.077 11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.325 -12.755 11.463 1.00 0.00 H new ATOM 587 N PRO A 40 -5.517 -11.047 4.822 1.00 0.00 N ATOM 588 CA PRO A 40 -5.276 -11.148 3.390 1.00 0.00 C ATOM 589 C PRO A 40 -6.544 -11.507 2.620 1.00 0.00 C ATOM 590 O PRO A 40 -6.606 -11.262 1.415 1.00 0.00 O ATOM 591 CB PRO A 40 -4.183 -12.201 3.242 1.00 0.00 C ATOM 592 CG PRO A 40 -4.322 -13.066 4.488 1.00 0.00 C ATOM 593 CD PRO A 40 -4.858 -12.111 5.549 1.00 0.00 C ATOM 0 HA PRO A 40 -4.965 -10.194 2.964 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.317 -12.788 2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.195 -11.744 3.184 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.005 -13.899 4.320 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.364 -13.494 4.785 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.554 -12.619 6.217 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.050 -11.720 6.168 1.00 0.00 H new ATOM 601 N GLN A 41 -7.552 -12.046 3.310 1.00 0.00 N ATOM 602 CA GLN A 41 -8.872 -12.268 2.768 1.00 0.00 C ATOM 603 C GLN A 41 -9.517 -10.937 2.369 1.00 0.00 C ATOM 604 O GLN A 41 -9.971 -10.825 1.231 1.00 0.00 O ATOM 605 CB GLN A 41 -9.704 -13.052 3.799 1.00 0.00 C ATOM 606 CG GLN A 41 -10.896 -13.775 3.167 1.00 0.00 C ATOM 607 CD GLN A 41 -10.449 -14.856 2.184 1.00 0.00 C ATOM 608 OE1 GLN A 41 -9.740 -15.791 2.565 1.00 0.00 O ATOM 609 NE2 GLN A 41 -10.857 -14.744 0.931 1.00 0.00 N ATOM 0 H GLN A 41 -7.459 -12.343 4.281 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.817 -12.864 1.857 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.065 -13.781 4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.065 -12.367 4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.505 -14.226 3.951 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.527 -13.052 2.650 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.443 -13.956 0.654 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.586 -15.445 0.242 1.00 0.00 H new ATOM 618 N VAL A 42 -9.568 -9.938 3.261 1.00 0.00 N ATOM 619 CA VAL A 42 -10.197 -8.666 2.909 1.00 0.00 C ATOM 620 C VAL A 42 -9.340 -7.922 1.882 1.00 0.00 C ATOM 621 O VAL A 42 -9.882 -7.321 0.968 1.00 0.00 O ATOM 622 CB VAL A 42 -10.589 -7.809 4.133 1.00 0.00 C ATOM 623 CG1 VAL A 42 -11.499 -8.602 5.086 1.00 0.00 C ATOM 624 CG2 VAL A 42 -9.423 -7.217 4.934 1.00 0.00 C ATOM 0 H VAL A 42 -9.191 -9.986 4.207 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.155 -8.888 2.438 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.114 -6.958 3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.762 -7.979 5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.406 -8.899 4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.974 -9.492 5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.813 -6.635 5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.797 -8.024 5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.829 -6.571 4.288 1.00 0.00 H new ATOM 634 N ILE A 43 -8.009 -8.026 1.950 1.00 0.00 N ATOM 635 CA ILE A 43 -7.137 -7.449 0.929 1.00 0.00 C ATOM 636 C ILE A 43 -7.505 -8.000 -0.458 1.00 0.00 C ATOM 637 O ILE A 43 -7.679 -7.253 -1.419 1.00 0.00 O ATOM 638 CB ILE A 43 -5.664 -7.724 1.285 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.192 -7.055 2.590 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.767 -7.282 0.136 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.251 -5.523 2.604 1.00 0.00 C ATOM 0 H ILE A 43 -7.514 -8.505 2.703 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.277 -6.368 0.897 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.591 -8.799 1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.800 -7.432 3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.165 -7.364 2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.726 -7.478 0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.030 -7.836 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.902 -6.215 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.898 -5.154 3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.619 -5.127 1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.279 -5.197 2.446 1.00 0.00 H new ATOM 653 N ALA A 44 -7.636 -9.320 -0.572 1.00 0.00 N ATOM 654 CA ALA A 44 -8.016 -9.930 -1.834 1.00 0.00 C ATOM 655 C ALA A 44 -9.424 -9.552 -2.292 1.00 0.00 C ATOM 656 O ALA A 44 -9.725 -9.682 -3.476 1.00 0.00 O ATOM 657 CB ALA A 44 -7.872 -11.438 -1.724 1.00 0.00 C ATOM 0 H ALA A 44 -7.485 -9.980 0.191 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.343 -9.542 -2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.156 -11.901 -2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.836 -11.689 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.520 -11.808 -0.930 1.00 0.00 H new ATOM 663 N ASP A 45 -10.287 -9.107 -1.385 1.00 0.00 N ATOM 664 CA ASP A 45 -11.546 -8.475 -1.743 1.00 0.00 C ATOM 665 C ASP A 45 -11.295 -7.072 -2.342 1.00 0.00 C ATOM 666 O ASP A 45 -11.765 -6.806 -3.453 1.00 0.00 O ATOM 667 CB ASP A 45 -12.487 -8.476 -0.527 1.00 0.00 C ATOM 668 CG ASP A 45 -13.035 -7.126 -0.285 1.00 0.00 C ATOM 669 OD1 ASP A 45 -13.895 -6.832 -1.139 1.00 0.00 O ATOM 670 OD2 ASP A 45 -12.664 -6.465 0.710 1.00 0.00 O ATOM 0 H ASP A 45 -10.130 -9.176 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 45 -12.048 -9.044 -2.526 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -13.303 -9.180 -0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -11.947 -8.817 0.356 1.00 0.00 H new ATOM 675 N TYR A 46 -10.565 -6.190 -1.639 1.00 0.00 N ATOM 676 CA TYR A 46 -10.191 -4.862 -2.113 1.00 0.00 C ATOM 677 C TYR A 46 -9.738 -4.872 -3.576 1.00 0.00 C ATOM 678 O TYR A 46 -10.180 -4.007 -4.329 1.00 0.00 O ATOM 679 CB TYR A 46 -9.093 -4.230 -1.237 1.00 0.00 C ATOM 680 CG TYR A 46 -9.543 -3.353 -0.090 1.00 0.00 C ATOM 681 CD1 TYR A 46 -10.007 -3.900 1.120 1.00 0.00 C ATOM 682 CD2 TYR A 46 -9.452 -1.957 -0.232 1.00 0.00 C ATOM 683 CE1 TYR A 46 -10.377 -3.060 2.185 1.00 0.00 C ATOM 684 CE2 TYR A 46 -9.831 -1.109 0.821 1.00 0.00 C ATOM 685 CZ TYR A 46 -10.312 -1.654 2.029 1.00 0.00 C ATOM 686 OH TYR A 46 -10.768 -0.816 2.997 1.00 0.00 O ATOM 0 H TYR A 46 -10.214 -6.393 -0.703 1.00 0.00 H new ATOM 0 HA TYR A 46 -11.093 -4.255 -2.039 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.483 -5.035 -0.827 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.446 -3.636 -1.883 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.079 -4.972 1.232 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.088 -1.534 -1.157 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.710 -3.486 3.120 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.754 -0.038 0.705 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.891 -1.316 3.831 1.00 0.00 H new ATOM 696 N GLU A 47 -8.812 -5.737 -4.002 1.00 0.00 N ATOM 697 CA GLU A 47 -8.205 -5.667 -5.335 1.00 0.00 C ATOM 698 C GLU A 47 -9.184 -5.983 -6.458 1.00 0.00 C ATOM 699 O GLU A 47 -9.018 -5.532 -7.595 1.00 0.00 O ATOM 700 CB GLU A 47 -7.083 -6.686 -5.385 1.00 0.00 C ATOM 701 CG GLU A 47 -5.794 -6.084 -4.874 1.00 0.00 C ATOM 702 CD GLU A 47 -5.740 -5.729 -3.402 1.00 0.00 C ATOM 703 OE1 GLU A 47 -6.372 -4.738 -2.979 1.00 0.00 O ATOM 704 OE2 GLU A 47 -4.984 -6.443 -2.709 1.00 0.00 O ATOM 0 H GLU A 47 -8.462 -6.507 -3.431 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.856 -4.646 -5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.348 -7.556 -4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.947 -7.035 -6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.986 -6.784 -5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.590 -5.180 -5.449 1.00 0.00 H new ATOM 711 N SER A 48 -10.165 -6.816 -6.141 1.00 0.00 N ATOM 712 CA SER A 48 -11.347 -7.019 -6.963 1.00 0.00 C ATOM 713 C SER A 48 -12.244 -5.783 -6.941 1.00 0.00 C ATOM 714 O SER A 48 -12.891 -5.481 -7.948 1.00 0.00 O ATOM 715 CB SER A 48 -12.161 -8.179 -6.412 1.00 0.00 C ATOM 716 OG SER A 48 -11.352 -9.315 -6.180 1.00 0.00 O ATOM 0 H SER A 48 -10.161 -7.379 -5.290 1.00 0.00 H new ATOM 0 HA SER A 48 -11.012 -7.220 -7.981 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.642 -7.878 -5.482 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.955 -8.434 -7.114 1.00 0.00 H new ATOM 0 HG SER A 48 -10.909 -9.229 -5.310 1.00 0.00 H new ATOM 722 N GLY A 49 -12.352 -5.107 -5.793 1.00 0.00 N ATOM 723 CA GLY A 49 -13.207 -3.950 -5.644 1.00 0.00 C ATOM 724 C GLY A 49 -14.604 -4.345 -5.202 1.00 0.00 C ATOM 725 O GLY A 49 -15.574 -3.712 -5.613 1.00 0.00 O ATOM 0 H GLY A 49 -11.843 -5.356 -4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.773 -3.267 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.262 -3.412 -6.591 1.00 0.00 H new ATOM 729 N ARG A 50 -14.729 -5.458 -4.477 1.00 0.00 N ATOM 730 CA ARG A 50 -16.021 -6.009 -4.090 1.00 0.00 C ATOM 731 C ARG A 50 -16.568 -5.228 -2.898 1.00 0.00 C ATOM 732 O ARG A 50 -17.723 -4.794 -2.910 1.00 0.00 O ATOM 733 CB ARG A 50 -15.844 -7.511 -3.837 1.00 0.00 C ATOM 734 CG ARG A 50 -15.791 -8.217 -5.204 1.00 0.00 C ATOM 735 CD ARG A 50 -15.794 -9.724 -5.009 1.00 0.00 C ATOM 736 NE ARG A 50 -16.032 -10.458 -6.259 1.00 0.00 N ATOM 737 CZ ARG A 50 -16.209 -11.780 -6.338 1.00 0.00 C ATOM 738 NH1 ARG A 50 -16.061 -12.557 -5.268 1.00 0.00 N ATOM 739 NH2 ARG A 50 -16.558 -12.346 -7.482 1.00 0.00 N ATOM 0 H ARG A 50 -13.933 -6.001 -4.143 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.767 -5.905 -4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.929 -7.698 -3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -16.670 -7.897 -3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -16.646 -7.918 -5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.895 -7.913 -5.745 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.838 -10.033 -4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.563 -9.991 -4.284 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.064 -9.922 -7.126 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.809 -12.145 -4.370 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.200 -13.564 -5.346 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.694 -11.772 -8.314 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.691 -13.356 -7.532 1.00 0.00 H new ATOM 753 N ALA A 51 -15.749 -5.074 -1.871 1.00 0.00 N ATOM 754 CA ALA A 51 -15.947 -4.238 -0.709 1.00 0.00 C ATOM 755 C ALA A 51 -15.842 -2.757 -1.091 1.00 0.00 C ATOM 756 O ALA A 51 -15.377 -2.419 -2.180 1.00 0.00 O ATOM 757 CB ALA A 51 -14.859 -4.640 0.290 1.00 0.00 C ATOM 0 H ALA A 51 -14.860 -5.572 -1.830 1.00 0.00 H new ATOM 0 HA ALA A 51 -16.938 -4.373 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -14.956 -4.040 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -14.967 -5.695 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.878 -4.472 -0.153 1.00 0.00 H new ATOM 763 N ILE A 52 -16.258 -1.875 -0.182 1.00 0.00 N ATOM 764 CA ILE A 52 -16.115 -0.426 -0.331 1.00 0.00 C ATOM 765 C ILE A 52 -14.759 -0.057 0.278 1.00 0.00 C ATOM 766 O ILE A 52 -14.519 -0.439 1.428 1.00 0.00 O ATOM 767 CB ILE A 52 -17.258 0.320 0.378 1.00 0.00 C ATOM 768 CG1 ILE A 52 -18.641 -0.251 0.013 1.00 0.00 C ATOM 769 CG2 ILE A 52 -17.211 1.828 0.078 1.00 0.00 C ATOM 770 CD1 ILE A 52 -18.946 -0.381 -1.480 1.00 0.00 C ATOM 0 H ILE A 52 -16.710 -2.150 0.690 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.164 -0.137 -1.381 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.109 0.171 1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -18.736 -1.236 0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.404 0.384 0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.032 2.327 0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -16.262 2.238 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -17.306 1.988 -0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.946 -0.794 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.894 0.602 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.216 -1.044 -1.944 1.00 0.00 H new ATOM 782 N PRO A 53 -13.866 0.657 -0.423 1.00 0.00 N ATOM 783 CA PRO A 53 -12.576 1.012 0.140 1.00 0.00 C ATOM 784 C PRO A 53 -12.787 2.105 1.203 1.00 0.00 C ATOM 785 O PRO A 53 -13.230 3.214 0.891 1.00 0.00 O ATOM 786 CB PRO A 53 -11.735 1.415 -1.075 1.00 0.00 C ATOM 787 CG PRO A 53 -12.757 2.002 -2.049 1.00 0.00 C ATOM 788 CD PRO A 53 -14.016 1.179 -1.775 1.00 0.00 C ATOM 0 HA PRO A 53 -12.056 0.217 0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.971 2.146 -0.808 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.219 0.557 -1.506 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.923 3.064 -1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -12.429 1.904 -3.084 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -14.911 1.795 -1.859 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.118 0.369 -2.497 1.00 0.00 H new ATOM 796 N ASN A 54 -12.494 1.785 2.471 1.00 0.00 N ATOM 797 CA ASN A 54 -12.835 2.629 3.623 1.00 0.00 C ATOM 798 C ASN A 54 -11.630 3.450 4.068 1.00 0.00 C ATOM 799 O ASN A 54 -10.548 2.881 4.209 1.00 0.00 O ATOM 800 CB ASN A 54 -13.287 1.775 4.818 1.00 0.00 C ATOM 801 CG ASN A 54 -13.661 2.679 5.993 1.00 0.00 C ATOM 802 OD1 ASN A 54 -14.291 3.715 5.831 1.00 0.00 O ATOM 803 ND2 ASN A 54 -13.242 2.361 7.202 1.00 0.00 N ATOM 0 H ASN A 54 -12.009 0.925 2.727 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.644 3.287 3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.142 1.161 4.534 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.488 1.094 5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.444 2.976 7.990 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.716 1.500 7.349 1.00 0.00 H new ATOM 810 N ASN A 55 -11.818 4.743 4.363 1.00 0.00 N ATOM 811 CA ASN A 55 -10.733 5.703 4.616 1.00 0.00 C ATOM 812 C ASN A 55 -9.741 5.227 5.674 1.00 0.00 C ATOM 813 O ASN A 55 -8.544 5.497 5.543 1.00 0.00 O ATOM 814 CB ASN A 55 -11.242 7.094 5.024 1.00 0.00 C ATOM 815 CG ASN A 55 -12.099 7.747 3.957 1.00 0.00 C ATOM 816 OD1 ASN A 55 -11.779 7.666 2.781 1.00 0.00 O ATOM 817 ND2 ASN A 55 -13.198 8.377 4.329 1.00 0.00 N ATOM 0 H ASN A 55 -12.746 5.160 4.434 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.222 5.775 3.656 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.820 7.008 5.944 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.390 7.737 5.242 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.800 8.809 3.628 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -13.445 8.432 5.317 1.00 0.00 H new ATOM 824 N GLN A 56 -10.219 4.543 6.719 1.00 0.00 N ATOM 825 CA GLN A 56 -9.395 4.035 7.808 1.00 0.00 C ATOM 826 C GLN A 56 -8.316 3.109 7.235 1.00 0.00 C ATOM 827 O GLN A 56 -7.128 3.422 7.270 1.00 0.00 O ATOM 828 CB GLN A 56 -10.294 3.335 8.855 1.00 0.00 C ATOM 829 CG GLN A 56 -9.717 3.376 10.275 1.00 0.00 C ATOM 830 CD GLN A 56 -9.903 4.752 10.918 1.00 0.00 C ATOM 831 OE1 GLN A 56 -9.218 5.713 10.580 1.00 0.00 O ATOM 832 NE2 GLN A 56 -10.835 4.900 11.845 1.00 0.00 N ATOM 0 H GLN A 56 -11.210 4.326 6.829 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.885 4.851 8.320 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.276 3.809 8.855 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.442 2.296 8.560 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -10.204 2.618 10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.656 3.128 10.245 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -11.405 4.103 12.127 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.984 5.812 12.278 1.00 0.00 H new ATOM 841 N VAL A 57 -8.745 1.987 6.657 1.00 0.00 N ATOM 842 CA VAL A 57 -7.897 0.957 6.073 1.00 0.00 C ATOM 843 C VAL A 57 -7.118 1.535 4.889 1.00 0.00 C ATOM 844 O VAL A 57 -5.923 1.264 4.785 1.00 0.00 O ATOM 845 CB VAL A 57 -8.794 -0.235 5.672 1.00 0.00 C ATOM 846 CG1 VAL A 57 -8.004 -1.365 4.998 1.00 0.00 C ATOM 847 CG2 VAL A 57 -9.531 -0.819 6.892 1.00 0.00 C ATOM 0 H VAL A 57 -9.738 1.765 6.582 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.156 0.602 6.789 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.513 0.166 4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.682 -2.177 4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.526 -0.986 4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.242 -1.735 5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.153 -1.656 6.575 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.803 -1.166 7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.159 -0.049 7.340 1.00 0.00 H new ATOM 857 N LEU A 58 -7.747 2.371 4.056 1.00 0.00 N ATOM 858 CA LEU A 58 -7.104 3.064 2.943 1.00 0.00 C ATOM 859 C LEU A 58 -5.828 3.747 3.415 1.00 0.00 C ATOM 860 O LEU A 58 -4.773 3.489 2.851 1.00 0.00 O ATOM 861 CB LEU A 58 -8.055 4.094 2.311 1.00 0.00 C ATOM 862 CG LEU A 58 -8.934 3.518 1.189 1.00 0.00 C ATOM 863 CD1 LEU A 58 -10.126 4.438 0.919 1.00 0.00 C ATOM 864 CD2 LEU A 58 -8.121 3.429 -0.101 1.00 0.00 C ATOM 0 H LEU A 58 -8.740 2.587 4.142 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.851 2.324 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.698 4.506 3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.467 4.921 1.912 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.282 2.534 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.738 4.016 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.725 4.533 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.766 5.421 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.744 3.021 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.777 4.424 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.260 2.779 0.056 1.00 0.00 H new ATOM 876 N GLY A 59 -5.891 4.565 4.469 1.00 0.00 N ATOM 877 CA GLY A 59 -4.722 5.285 4.966 1.00 0.00 C ATOM 878 C GLY A 59 -3.612 4.344 5.441 1.00 0.00 C ATOM 879 O GLY A 59 -2.426 4.653 5.301 1.00 0.00 O ATOM 0 H GLY A 59 -6.746 4.744 4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.334 5.930 4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.022 5.933 5.790 1.00 0.00 H new ATOM 883 N LYS A 60 -3.968 3.165 5.962 1.00 0.00 N ATOM 884 CA LYS A 60 -2.986 2.149 6.316 1.00 0.00 C ATOM 885 C LYS A 60 -2.315 1.596 5.058 1.00 0.00 C ATOM 886 O LYS A 60 -1.103 1.380 5.062 1.00 0.00 O ATOM 887 CB LYS A 60 -3.632 1.021 7.123 1.00 0.00 C ATOM 888 CG LYS A 60 -4.384 1.506 8.366 1.00 0.00 C ATOM 889 CD LYS A 60 -4.608 0.362 9.357 1.00 0.00 C ATOM 890 CE LYS A 60 -5.648 -0.659 8.885 1.00 0.00 C ATOM 891 NZ LYS A 60 -5.803 -1.741 9.878 1.00 0.00 N ATOM 0 H LYS A 60 -4.934 2.895 6.146 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.223 2.615 6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.324 0.476 6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.859 0.316 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.819 2.303 8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.344 1.929 8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.661 -0.149 9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.926 0.777 10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.606 -0.164 8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.344 -1.079 7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.672 -2.276 9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.983 -2.379 9.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.863 -1.331 10.832 1.00 0.00 H new ATOM 905 N ILE A 61 -3.092 1.318 4.006 1.00 0.00 N ATOM 906 CA ILE A 61 -2.595 0.847 2.717 1.00 0.00 C ATOM 907 C ILE A 61 -1.709 1.916 2.081 1.00 0.00 C ATOM 908 O ILE A 61 -0.693 1.568 1.487 1.00 0.00 O ATOM 909 CB ILE A 61 -3.765 0.419 1.805 1.00 0.00 C ATOM 910 CG1 ILE A 61 -4.429 -0.828 2.417 1.00 0.00 C ATOM 911 CG2 ILE A 61 -3.287 0.105 0.378 1.00 0.00 C ATOM 912 CD1 ILE A 61 -5.628 -1.317 1.610 1.00 0.00 C ATOM 0 H ILE A 61 -4.107 1.418 4.032 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.979 -0.040 2.865 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.477 1.242 1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.693 -1.629 2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.750 -0.601 3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.139 -0.192 -0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.822 0.992 -0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.561 -0.707 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.055 -2.198 2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.380 -0.530 1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.307 -1.573 0.600 1.00 0.00 H new ATOM 924 N GLU A 62 -2.032 3.203 2.222 1.00 0.00 N ATOM 925 CA GLU A 62 -1.153 4.247 1.694 1.00 0.00 C ATOM 926 C GLU A 62 0.252 4.079 2.297 1.00 0.00 C ATOM 927 O GLU A 62 1.228 3.966 1.562 1.00 0.00 O ATOM 928 CB GLU A 62 -1.670 5.685 1.939 1.00 0.00 C ATOM 929 CG GLU A 62 -3.035 6.045 1.340 1.00 0.00 C ATOM 930 CD GLU A 62 -3.427 7.501 1.608 1.00 0.00 C ATOM 931 OE1 GLU A 62 -2.928 8.423 0.916 1.00 0.00 O ATOM 932 OE2 GLU A 62 -4.290 7.756 2.474 1.00 0.00 O ATOM 0 H GLU A 62 -2.875 3.542 2.686 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.128 4.120 0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.719 5.849 3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.932 6.383 1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.014 5.870 0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.796 5.385 1.756 1.00 0.00 H new ATOM 939 N ARG A 63 0.366 3.966 3.627 1.00 0.00 N ATOM 940 CA ARG A 63 1.648 3.702 4.307 1.00 0.00 C ATOM 941 C ARG A 63 2.249 2.336 3.979 1.00 0.00 C ATOM 942 O ARG A 63 3.445 2.123 4.166 1.00 0.00 O ATOM 943 CB ARG A 63 1.477 3.862 5.822 1.00 0.00 C ATOM 944 CG ARG A 63 1.225 5.335 6.139 1.00 0.00 C ATOM 945 CD ARG A 63 1.471 5.665 7.613 1.00 0.00 C ATOM 946 NE ARG A 63 0.241 5.593 8.415 1.00 0.00 N ATOM 947 CZ ARG A 63 0.142 5.278 9.711 1.00 0.00 C ATOM 948 NH1 ARG A 63 1.191 4.859 10.405 1.00 0.00 N ATOM 949 NH2 ARG A 63 -1.027 5.420 10.320 1.00 0.00 N ATOM 0 H ARG A 63 -0.425 4.054 4.264 1.00 0.00 H new ATOM 0 HA ARG A 63 2.357 4.439 3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.644 3.253 6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.369 3.512 6.341 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.873 5.953 5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.197 5.589 5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.208 4.973 8.020 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.896 6.666 7.693 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.631 5.806 7.931 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.100 4.771 9.951 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.089 4.625 11.393 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.834 5.765 9.800 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.119 5.184 11.308 1.00 0.00 H new ATOM 963 N ALA A 64 1.438 1.412 3.478 1.00 0.00 N ATOM 964 CA ALA A 64 1.896 0.095 3.075 1.00 0.00 C ATOM 965 C ALA A 64 2.794 0.174 1.835 1.00 0.00 C ATOM 966 O ALA A 64 3.821 -0.507 1.810 1.00 0.00 O ATOM 967 CB ALA A 64 0.709 -0.836 2.832 1.00 0.00 C ATOM 0 H ALA A 64 0.438 1.560 3.340 1.00 0.00 H new ATOM 0 HA ALA A 64 2.493 -0.317 3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.073 -1.818 2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.127 -0.930 3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.079 -0.425 2.043 1.00 0.00 H new ATOM 973 N ILE A 65 2.412 0.955 0.815 1.00 0.00 N ATOM 974 CA ILE A 65 3.116 1.011 -0.475 1.00 0.00 C ATOM 975 C ILE A 65 3.766 2.373 -0.758 1.00 0.00 C ATOM 976 O ILE A 65 4.538 2.498 -1.712 1.00 0.00 O ATOM 977 CB ILE A 65 2.183 0.582 -1.621 1.00 0.00 C ATOM 978 CG1 ILE A 65 0.918 1.461 -1.716 1.00 0.00 C ATOM 979 CG2 ILE A 65 1.816 -0.896 -1.430 1.00 0.00 C ATOM 980 CD1 ILE A 65 0.259 1.352 -3.089 1.00 0.00 C ATOM 0 H ILE A 65 1.600 1.570 0.862 1.00 0.00 H new ATOM 0 HA ILE A 65 3.940 0.301 -0.410 1.00 0.00 H new ATOM 0 HB ILE A 65 2.712 0.716 -2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.207 1.161 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.181 2.500 -1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.154 -1.214 -2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.723 -1.501 -1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.310 -1.025 -0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.628 1.985 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.961 1.677 -3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.027 0.317 -3.274 1.00 0.00 H new ATOM 992 N GLY A 66 3.448 3.371 0.064 1.00 0.00 N ATOM 993 CA GLY A 66 3.920 4.748 0.013 1.00 0.00 C ATOM 994 C GLY A 66 3.351 5.554 -1.140 1.00 0.00 C ATOM 995 O GLY A 66 3.929 6.576 -1.504 1.00 0.00 O ATOM 0 H GLY A 66 2.804 3.224 0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.665 5.243 0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.008 4.746 -0.061 1.00 0.00 H new ATOM 999 N LEU A 67 2.197 5.165 -1.677 1.00 0.00 N ATOM 1000 CA LEU A 67 1.479 5.939 -2.680 1.00 0.00 C ATOM 1001 C LEU A 67 0.081 6.250 -2.153 1.00 0.00 C ATOM 1002 O LEU A 67 -0.387 5.607 -1.215 1.00 0.00 O ATOM 1003 CB LEU A 67 1.432 5.193 -4.023 1.00 0.00 C ATOM 1004 CG LEU A 67 2.800 4.802 -4.622 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.581 4.019 -5.920 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.718 6.002 -4.902 1.00 0.00 C ATOM 0 H LEU A 67 1.731 4.294 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 67 2.002 6.877 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.841 4.286 -3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.905 5.816 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 67 3.304 4.191 -3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.546 3.742 -6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.005 3.118 -5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.036 4.639 -6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.660 5.649 -5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.234 6.673 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.912 6.536 -3.972 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.577 7.244 -2.744 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.938 7.645 -2.430 1.00 0.00 C ATOM 1020 C LYS A 68 -2.891 6.622 -3.005 1.00 0.00 C ATOM 1021 O LYS A 68 -2.711 6.182 -4.142 1.00 0.00 O ATOM 1022 CB LYS A 68 -2.243 9.024 -3.039 1.00 0.00 C ATOM 1023 CG LYS A 68 -1.608 10.131 -2.195 1.00 0.00 C ATOM 1024 CD LYS A 68 -2.047 11.524 -2.659 1.00 0.00 C ATOM 1025 CE LYS A 68 -1.444 12.590 -1.739 1.00 0.00 C ATOM 1026 NZ LYS A 68 -2.000 12.555 -0.366 1.00 0.00 N ATOM 0 H LYS A 68 -0.158 7.811 -3.481 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.056 7.706 -1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.861 9.071 -4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.321 9.174 -3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.882 9.993 -1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.522 10.054 -2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.726 11.693 -3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.135 11.595 -2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.364 12.451 -1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.620 13.575 -2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.727 13.421 0.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.037 12.494 -0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.627 11.726 0.139 1.00 0.00 H new ATOM 1040 N LEU A 69 -3.938 6.309 -2.246 1.00 0.00 N ATOM 1041 CA LEU A 69 -5.011 5.402 -2.632 1.00 0.00 C ATOM 1042 C LEU A 69 -6.364 6.116 -2.637 1.00 0.00 C ATOM 1043 O LEU A 69 -7.400 5.460 -2.745 1.00 0.00 O ATOM 1044 CB LEU A 69 -5.039 4.176 -1.702 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.970 3.096 -1.916 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.041 2.443 -3.291 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.523 3.525 -1.740 1.00 0.00 C ATOM 0 H LEU A 69 -4.065 6.696 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.816 5.059 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.956 4.532 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.017 3.704 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.229 2.405 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.258 1.689 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.015 1.971 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.901 3.201 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.867 2.673 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.289 4.318 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.373 3.892 -0.725 1.00 0.00 H new ATOM 1059 N ARG A 70 -6.401 7.444 -2.507 1.00 0.00 N ATOM 1060 CA ARG A 70 -7.630 8.221 -2.612 1.00 0.00 C ATOM 1061 C ARG A 70 -7.401 9.387 -3.566 1.00 0.00 C ATOM 1062 O ARG A 70 -6.252 9.724 -3.860 1.00 0.00 O ATOM 1063 CB ARG A 70 -8.091 8.753 -1.243 1.00 0.00 C ATOM 1064 CG ARG A 70 -8.125 7.769 -0.062 1.00 0.00 C ATOM 1065 CD ARG A 70 -9.330 8.005 0.867 1.00 0.00 C ATOM 1066 NE ARG A 70 -9.478 9.407 1.299 1.00 0.00 N ATOM 1067 CZ ARG A 70 -10.594 10.150 1.234 1.00 0.00 C ATOM 1068 NH1 ARG A 70 -11.745 9.623 0.828 1.00 0.00 N ATOM 1069 NH2 ARG A 70 -10.531 11.429 1.583 1.00 0.00 N ATOM 0 H ARG A 70 -5.572 8.010 -2.325 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.415 7.567 -2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.438 9.581 -0.969 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.093 9.164 -1.364 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.159 6.749 -0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.203 7.864 0.512 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.240 7.694 0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.228 7.371 1.748 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.649 9.858 1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.789 8.640 0.560 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.584 10.202 0.785 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.646 11.830 1.893 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.368 12.011 1.541 1.00 0.00 H new ATOM 1083 N GLY A 71 -8.495 10.023 -3.975 1.00 0.00 N ATOM 1084 CA GLY A 71 -8.489 11.169 -4.861 1.00 0.00 C ATOM 1085 C GLY A 71 -8.241 10.741 -6.300 1.00 0.00 C ATOM 1086 O GLY A 71 -8.015 9.569 -6.609 1.00 0.00 O ATOM 0 H GLY A 71 -9.433 9.743 -3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.443 11.692 -4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.717 11.872 -4.548 1.00 0.00 H new ATOM 1090 N LYS A 72 -8.281 11.721 -7.205 1.00 0.00 N ATOM 1091 CA LYS A 72 -7.890 11.549 -8.602 1.00 0.00 C ATOM 1092 C LYS A 72 -6.369 11.680 -8.771 1.00 0.00 C ATOM 1093 O LYS A 72 -5.888 11.843 -9.889 1.00 0.00 O ATOM 1094 CB LYS A 72 -8.734 12.470 -9.512 1.00 0.00 C ATOM 1095 CG LYS A 72 -10.195 11.979 -9.494 1.00 0.00 C ATOM 1096 CD LYS A 72 -11.123 12.706 -10.473 1.00 0.00 C ATOM 1097 CE LYS A 72 -12.536 12.127 -10.311 1.00 0.00 C ATOM 1098 NZ LYS A 72 -13.509 12.616 -11.313 1.00 0.00 N ATOM 0 H LYS A 72 -8.590 12.668 -6.984 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.114 10.534 -8.929 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.678 13.501 -9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.343 12.457 -10.530 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.209 10.913 -9.723 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.591 12.094 -8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.125 13.777 -10.271 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.773 12.575 -11.497 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.481 11.040 -10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.904 12.370 -9.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.437 12.180 -11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.592 13.650 -11.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.182 12.362 -12.267 1.00 0.00 H new ATOM 1112 N ASP A 73 -5.605 11.682 -7.673 1.00 0.00 N ATOM 1113 CA ASP A 73 -4.140 11.748 -7.658 1.00 0.00 C ATOM 1114 C ASP A 73 -3.546 10.362 -7.373 1.00 0.00 C ATOM 1115 O ASP A 73 -2.392 10.263 -6.956 1.00 0.00 O ATOM 1116 CB ASP A 73 -3.629 12.740 -6.594 1.00 0.00 C ATOM 1117 CG ASP A 73 -4.020 14.197 -6.800 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -4.831 14.516 -7.699 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -3.501 15.032 -6.022 1.00 0.00 O ATOM 0 H ASP A 73 -6.005 11.636 -6.736 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.821 12.094 -8.641 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.998 12.419 -5.620 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.541 12.677 -6.560 1.00 0.00 H new ATOM 1124 N ILE A 74 -4.329 9.285 -7.510 1.00 0.00 N ATOM 1125 CA ILE A 74 -3.950 7.963 -7.030 1.00 0.00 C ATOM 1126 C ILE A 74 -2.588 7.549 -7.609 1.00 0.00 C ATOM 1127 O ILE A 74 -2.288 7.859 -8.769 1.00 0.00 O ATOM 1128 CB ILE A 74 -5.100 6.971 -7.329 1.00 0.00 C ATOM 1129 CG1 ILE A 74 -5.252 6.008 -6.145 1.00 0.00 C ATOM 1130 CG2 ILE A 74 -5.015 6.336 -8.731 1.00 0.00 C ATOM 1131 CD1 ILE A 74 -6.399 5.009 -6.282 1.00 0.00 C ATOM 0 H ILE A 74 -5.244 9.313 -7.959 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.810 7.966 -5.949 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.044 7.510 -7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.320 5.457 -6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.402 6.591 -5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.852 5.652 -8.872 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.055 7.119 -9.488 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.078 5.787 -8.826 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.431 4.369 -5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.342 5.548 -6.374 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.244 4.396 -7.170 1.00 0.00 H new ATOM 1143 N GLY A 75 -1.762 6.861 -6.825 1.00 0.00 N ATOM 1144 CA GLY A 75 -0.428 6.434 -7.236 1.00 0.00 C ATOM 1145 C GLY A 75 0.634 7.543 -7.183 1.00 0.00 C ATOM 1146 O GLY A 75 1.815 7.259 -7.399 1.00 0.00 O ATOM 0 H GLY A 75 -2.004 6.581 -5.874 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.109 5.611 -6.596 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.481 6.046 -8.253 1.00 0.00 H new ATOM 1150 N LYS A 76 0.277 8.797 -6.870 1.00 0.00 N ATOM 1151 CA LYS A 76 1.261 9.792 -6.467 1.00 0.00 C ATOM 1152 C LYS A 76 1.751 9.430 -5.063 1.00 0.00 C ATOM 1153 O LYS A 76 0.987 8.862 -4.289 1.00 0.00 O ATOM 1154 CB LYS A 76 0.660 11.202 -6.485 1.00 0.00 C ATOM 1155 CG LYS A 76 0.407 11.669 -7.928 1.00 0.00 C ATOM 1156 CD LYS A 76 1.504 12.631 -8.394 1.00 0.00 C ATOM 1157 CE LYS A 76 1.484 12.798 -9.917 1.00 0.00 C ATOM 1158 NZ LYS A 76 2.431 13.827 -10.393 1.00 0.00 N ATOM 0 H LYS A 76 -0.684 9.138 -6.890 1.00 0.00 H new ATOM 0 HA LYS A 76 2.095 9.792 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.276 11.211 -5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.336 11.897 -5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.369 10.806 -8.592 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.564 12.161 -7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.367 13.602 -7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.478 12.256 -8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.726 11.844 -10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.476 13.063 -10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.375 13.897 -11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.187 14.745 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.398 13.564 -10.115 1.00 0.00 H new ATOM 1172 N PRO A 77 3.000 9.741 -4.720 1.00 0.00 N ATOM 1173 CA PRO A 77 3.635 9.301 -3.493 1.00 0.00 C ATOM 1174 C PRO A 77 3.183 10.094 -2.277 1.00 0.00 C ATOM 1175 O PRO A 77 2.913 11.297 -2.369 1.00 0.00 O ATOM 1176 CB PRO A 77 5.131 9.454 -3.733 1.00 0.00 C ATOM 1177 CG PRO A 77 5.251 10.483 -4.853 1.00 0.00 C ATOM 1178 CD PRO A 77 3.914 10.437 -5.586 1.00 0.00 C ATOM 0 HA PRO A 77 3.360 8.271 -3.266 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.642 9.791 -2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.583 8.505 -4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.447 11.478 -4.454 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.076 10.241 -5.523 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.555 11.443 -5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.012 9.922 -6.541 1.00 0.00 H new ATOM 1186 N ILE A 78 3.215 9.438 -1.118 1.00 0.00 N ATOM 1187 CA ILE A 78 2.912 10.048 0.167 1.00 0.00 C ATOM 1188 C ILE A 78 4.243 10.335 0.856 1.00 0.00 C ATOM 1189 O ILE A 78 5.084 9.443 0.952 1.00 0.00 O ATOM 1190 CB ILE A 78 1.957 9.169 1.007 1.00 0.00 C ATOM 1191 CG1 ILE A 78 2.457 7.759 1.370 1.00 0.00 C ATOM 1192 CG2 ILE A 78 0.629 8.999 0.261 1.00 0.00 C ATOM 1193 CD1 ILE A 78 1.890 7.247 2.695 1.00 0.00 C ATOM 0 H ILE A 78 3.457 8.450 -1.049 1.00 0.00 H new ATOM 0 HA ILE A 78 2.370 10.985 0.037 1.00 0.00 H new ATOM 0 HB ILE A 78 1.867 9.712 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.185 7.067 0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.545 7.769 1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.044 8.379 0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.175 9.977 0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.811 8.520 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.279 6.249 2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.184 7.920 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.802 7.207 2.634 1.00 0.00 H new