USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=7 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= 0.957 K(o=0.96,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.0546 K(o=-0.055,f=-0.59) USER MOD Single : A 23 GLN : amide:sc= -0.0257 K(o=-0.026,f=-2.2!) USER MOD Single : A 24 SER OG : rot 80:sc= 0.277 USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0146) USER MOD Single : A 28 THR OG1 : rot -82:sc= 1.35 USER MOD Single : A 29 GLN : amide:sc= 0.937 K(o=0.94,f=-0.21) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 83:sc= 0.0895 USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0125) USER MOD Single : A 37 ASN : amide:sc= -0.123 K(o=-0.12,f=-0.87) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 1.02 K(o=1,f=-0.16) USER MOD Single : A 46 TYR OH : rot 130:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.151 K(o=0.15,f=-3.1!) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -9.083 1.973 -9.835 1.00 0.00 N ATOM 152 CA GLU A 13 -7.791 2.625 -9.606 1.00 0.00 C ATOM 153 C GLU A 13 -7.175 2.175 -8.278 1.00 0.00 C ATOM 154 O GLU A 13 -5.971 1.957 -8.212 1.00 0.00 O ATOM 155 CB GLU A 13 -7.916 4.157 -9.617 1.00 0.00 C ATOM 156 CG GLU A 13 -8.378 4.743 -10.957 1.00 0.00 C ATOM 157 CD GLU A 13 -8.354 6.277 -10.981 1.00 0.00 C ATOM 158 OE1 GLU A 13 -9.057 6.919 -10.155 1.00 0.00 O ATOM 159 OE2 GLU A 13 -7.694 6.867 -11.869 1.00 0.00 O ATOM 0 HA GLU A 13 -7.138 2.325 -10.425 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.619 4.458 -8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.950 4.591 -9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.738 4.363 -11.753 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.390 4.398 -11.169 1.00 0.00 H new ATOM 166 N VAL A 14 -7.991 1.992 -7.234 1.00 0.00 N ATOM 167 CA VAL A 14 -7.543 1.486 -5.940 1.00 0.00 C ATOM 168 C VAL A 14 -6.849 0.135 -6.133 1.00 0.00 C ATOM 169 O VAL A 14 -5.660 0.034 -5.846 1.00 0.00 O ATOM 170 CB VAL A 14 -8.725 1.479 -4.947 1.00 0.00 C ATOM 171 CG1 VAL A 14 -8.467 0.706 -3.655 1.00 0.00 C ATOM 172 CG2 VAL A 14 -9.024 2.914 -4.504 1.00 0.00 C ATOM 0 H VAL A 14 -8.990 2.194 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.794 2.140 -5.493 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.540 0.999 -5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.351 0.755 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.248 -0.335 -3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.618 1.146 -3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.858 2.912 -3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.144 3.336 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.283 3.517 -5.374 1.00 0.00 H new ATOM 182 N GLY A 15 -7.538 -0.893 -6.635 1.00 0.00 N ATOM 183 CA GLY A 15 -6.947 -2.204 -6.859 1.00 0.00 C ATOM 184 C GLY A 15 -5.728 -2.146 -7.765 1.00 0.00 C ATOM 185 O GLY A 15 -4.767 -2.867 -7.509 1.00 0.00 O ATOM 0 H GLY A 15 -8.522 -0.834 -6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.663 -2.639 -5.901 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.693 -2.865 -7.301 1.00 0.00 H new ATOM 189 N LYS A 16 -5.746 -1.297 -8.797 1.00 0.00 N ATOM 190 CA LYS A 16 -4.611 -1.127 -9.691 1.00 0.00 C ATOM 191 C LYS A 16 -3.407 -0.621 -8.908 1.00 0.00 C ATOM 192 O LYS A 16 -2.369 -1.277 -8.946 1.00 0.00 O ATOM 193 CB LYS A 16 -4.989 -0.185 -10.847 1.00 0.00 C ATOM 194 CG LYS A 16 -3.929 -0.092 -11.955 1.00 0.00 C ATOM 195 CD LYS A 16 -3.631 -1.414 -12.681 1.00 0.00 C ATOM 196 CE LYS A 16 -2.328 -2.062 -12.194 1.00 0.00 C ATOM 197 NZ LYS A 16 -2.058 -3.318 -12.917 1.00 0.00 N ATOM 0 H LYS A 16 -6.549 -0.712 -9.031 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.338 -2.087 -10.129 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.928 -0.524 -11.285 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.167 0.812 -10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.257 0.643 -12.690 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.003 0.283 -11.520 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.459 -2.106 -12.526 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.565 -1.231 -13.753 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.498 -1.370 -12.338 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.395 -2.261 -11.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.172 -3.735 -12.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.840 -3.985 -12.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.971 -3.121 -13.935 1.00 0.00 H new ATOM 211 N VAL A 17 -3.527 0.510 -8.206 1.00 0.00 N ATOM 212 CA VAL A 17 -2.445 1.097 -7.419 1.00 0.00 C ATOM 213 C VAL A 17 -1.988 0.122 -6.337 1.00 0.00 C ATOM 214 O VAL A 17 -0.790 0.046 -6.085 1.00 0.00 O ATOM 215 CB VAL A 17 -2.860 2.469 -6.836 1.00 0.00 C ATOM 216 CG1 VAL A 17 -1.802 3.020 -5.873 1.00 0.00 C ATOM 217 CG2 VAL A 17 -3.058 3.481 -7.979 1.00 0.00 C ATOM 0 H VAL A 17 -4.392 1.049 -8.170 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.594 1.282 -8.075 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.790 2.323 -6.286 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.130 3.984 -5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.665 2.324 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.857 3.144 -6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.350 4.446 -7.564 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.126 3.591 -8.533 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.839 3.123 -8.650 1.00 0.00 H new ATOM 227 N ILE A 18 -2.899 -0.626 -5.712 1.00 0.00 N ATOM 228 CA ILE A 18 -2.554 -1.634 -4.720 1.00 0.00 C ATOM 229 C ILE A 18 -1.652 -2.670 -5.383 1.00 0.00 C ATOM 230 O ILE A 18 -0.530 -2.865 -4.919 1.00 0.00 O ATOM 231 CB ILE A 18 -3.829 -2.232 -4.080 1.00 0.00 C ATOM 232 CG1 ILE A 18 -4.476 -1.160 -3.186 1.00 0.00 C ATOM 233 CG2 ILE A 18 -3.494 -3.468 -3.228 1.00 0.00 C ATOM 234 CD1 ILE A 18 -5.936 -1.416 -2.821 1.00 0.00 C ATOM 0 H ILE A 18 -3.901 -0.546 -5.884 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.000 -1.193 -3.891 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.512 -2.539 -4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.897 -1.078 -2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.408 -0.197 -3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.409 -3.867 -2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.030 -4.228 -3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.805 -3.185 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.301 -0.606 -2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.535 -1.465 -3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.016 -2.360 -2.282 1.00 0.00 H new ATOM 246 N GLN A 19 -2.117 -3.311 -6.460 1.00 0.00 N ATOM 247 CA GLN A 19 -1.383 -4.364 -7.134 1.00 0.00 C ATOM 248 C GLN A 19 -0.003 -3.861 -7.546 1.00 0.00 C ATOM 249 O GLN A 19 0.994 -4.515 -7.243 1.00 0.00 O ATOM 250 CB GLN A 19 -2.175 -4.866 -8.347 1.00 0.00 C ATOM 251 CG GLN A 19 -1.751 -6.302 -8.667 1.00 0.00 C ATOM 252 CD GLN A 19 -2.517 -6.846 -9.863 1.00 0.00 C ATOM 253 OE1 GLN A 19 -2.174 -6.574 -11.008 1.00 0.00 O ATOM 254 NE2 GLN A 19 -3.566 -7.614 -9.630 1.00 0.00 N ATOM 0 H GLN A 19 -3.021 -3.105 -6.885 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.247 -5.201 -6.449 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.244 -4.828 -8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.994 -4.221 -9.207 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.681 -6.331 -8.873 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.926 -6.938 -7.799 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.837 -7.830 -8.671 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.105 -7.991 -10.409 1.00 0.00 H new ATOM 263 N GLN A 20 0.050 -2.691 -8.189 1.00 0.00 N ATOM 264 CA GLN A 20 1.285 -2.051 -8.571 1.00 0.00 C ATOM 265 C GLN A 20 2.173 -1.832 -7.364 1.00 0.00 C ATOM 266 O GLN A 20 3.271 -2.355 -7.339 1.00 0.00 O ATOM 267 CB GLN A 20 0.976 -0.733 -9.286 1.00 0.00 C ATOM 268 CG GLN A 20 1.436 -0.796 -10.738 1.00 0.00 C ATOM 269 CD GLN A 20 2.888 -0.336 -10.913 1.00 0.00 C ATOM 270 OE1 GLN A 20 3.337 0.636 -10.303 1.00 0.00 O ATOM 271 NE2 GLN A 20 3.660 -1.003 -11.748 1.00 0.00 N ATOM 0 H GLN A 20 -0.782 -2.165 -8.457 1.00 0.00 H new ATOM 0 HA GLN A 20 1.829 -2.699 -9.258 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.095 -0.532 -9.245 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.475 0.091 -8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.335 -1.818 -11.104 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.784 -0.172 -11.350 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.289 -1.808 -12.253 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.628 -0.714 -11.889 1.00 0.00 H new ATOM 280 N GLY A 21 1.749 -1.074 -6.358 1.00 0.00 N ATOM 281 CA GLY A 21 2.642 -0.698 -5.277 1.00 0.00 C ATOM 282 C GLY A 21 3.116 -1.893 -4.464 1.00 0.00 C ATOM 283 O GLY A 21 4.252 -1.867 -3.985 1.00 0.00 O ATOM 0 H GLY A 21 0.799 -0.712 -6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.507 -0.179 -5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.132 0.005 -4.618 1.00 0.00 H new ATOM 287 N ARG A 22 2.295 -2.947 -4.346 1.00 0.00 N ATOM 288 CA ARG A 22 2.745 -4.234 -3.858 1.00 0.00 C ATOM 289 C ARG A 22 3.894 -4.743 -4.726 1.00 0.00 C ATOM 290 O ARG A 22 5.015 -4.901 -4.238 1.00 0.00 O ATOM 291 CB ARG A 22 1.597 -5.259 -3.885 1.00 0.00 C ATOM 292 CG ARG A 22 0.581 -5.137 -2.775 1.00 0.00 C ATOM 293 CD ARG A 22 -0.164 -6.452 -2.481 1.00 0.00 C ATOM 294 NE ARG A 22 -0.908 -7.059 -3.607 1.00 0.00 N ATOM 295 CZ ARG A 22 -0.460 -7.884 -4.565 1.00 0.00 C ATOM 296 NH1 ARG A 22 0.820 -8.219 -4.674 1.00 0.00 N ATOM 297 NH2 ARG A 22 -1.307 -8.410 -5.433 1.00 0.00 N ATOM 0 H ARG A 22 1.305 -2.919 -4.589 1.00 0.00 H new ATOM 0 HA ARG A 22 3.084 -4.111 -2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.077 -5.169 -4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.028 -6.260 -3.849 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.084 -4.802 -1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.145 -4.368 -3.040 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.561 -7.181 -2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.866 -6.271 -1.667 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.897 -6.817 -3.662 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.503 -7.846 -4.015 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.121 -8.850 -5.417 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.301 -8.188 -5.374 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.967 -9.037 -6.162 1.00 0.00 H new ATOM 311 N GLN A 23 3.619 -5.039 -5.995 1.00 0.00 N ATOM 312 CA GLN A 23 4.543 -5.664 -6.916 1.00 0.00 C ATOM 313 C GLN A 23 5.797 -4.807 -7.150 1.00 0.00 C ATOM 314 O GLN A 23 6.889 -5.356 -7.333 1.00 0.00 O ATOM 315 CB GLN A 23 3.773 -5.929 -8.217 1.00 0.00 C ATOM 316 CG GLN A 23 2.732 -7.054 -8.136 1.00 0.00 C ATOM 317 CD GLN A 23 3.369 -8.431 -8.297 1.00 0.00 C ATOM 318 OE1 GLN A 23 4.304 -8.793 -7.584 1.00 0.00 O ATOM 319 NE2 GLN A 23 2.891 -9.228 -9.233 1.00 0.00 N ATOM 0 H GLN A 23 2.712 -4.840 -6.417 1.00 0.00 H new ATOM 0 HA GLN A 23 4.915 -6.600 -6.500 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.270 -5.010 -8.518 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.489 -6.172 -9.002 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.216 -7.003 -7.177 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.980 -6.909 -8.911 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.116 -8.919 -9.819 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.297 -10.154 -9.371 1.00 0.00 H new ATOM 328 N SER A 24 5.696 -3.480 -7.060 1.00 0.00 N ATOM 329 CA SER A 24 6.803 -2.547 -7.208 1.00 0.00 C ATOM 330 C SER A 24 7.749 -2.571 -6.002 1.00 0.00 C ATOM 331 O SER A 24 8.785 -1.913 -6.012 1.00 0.00 O ATOM 332 CB SER A 24 6.252 -1.144 -7.469 1.00 0.00 C ATOM 333 OG SER A 24 5.592 -1.104 -8.726 1.00 0.00 O ATOM 0 H SER A 24 4.808 -3.014 -6.875 1.00 0.00 H new ATOM 0 HA SER A 24 7.403 -2.857 -8.063 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.558 -0.864 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.064 -0.417 -7.453 1.00 0.00 H new ATOM 0 HG SER A 24 4.693 -1.483 -8.636 1.00 0.00 H new ATOM 339 N LYS A 25 7.400 -3.337 -4.968 1.00 0.00 N ATOM 340 CA LYS A 25 8.179 -3.569 -3.763 1.00 0.00 C ATOM 341 C LYS A 25 8.326 -5.076 -3.510 1.00 0.00 C ATOM 342 O LYS A 25 8.715 -5.475 -2.410 1.00 0.00 O ATOM 343 CB LYS A 25 7.502 -2.822 -2.608 1.00 0.00 C ATOM 344 CG LYS A 25 7.473 -1.299 -2.821 1.00 0.00 C ATOM 345 CD LYS A 25 6.878 -0.579 -1.605 1.00 0.00 C ATOM 346 CE LYS A 25 7.835 -0.595 -0.408 1.00 0.00 C ATOM 347 NZ LYS A 25 8.964 0.342 -0.585 1.00 0.00 N ATOM 0 H LYS A 25 6.512 -3.839 -4.954 1.00 0.00 H new ATOM 0 HA LYS A 25 9.193 -3.184 -3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.482 -3.188 -2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.027 -3.045 -1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.484 -0.936 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.886 -1.065 -3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.646 0.452 -1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.938 -1.055 -1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.287 -0.334 0.497 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.221 -1.604 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.538 0.361 0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.552 0.030 -1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.597 1.296 -0.778 1.00 0.00 H new ATOM 361 N GLY A 26 7.980 -5.919 -4.493 1.00 0.00 N ATOM 362 CA GLY A 26 8.063 -7.370 -4.397 1.00 0.00 C ATOM 363 C GLY A 26 7.098 -7.976 -3.374 1.00 0.00 C ATOM 364 O GLY A 26 7.311 -9.109 -2.934 1.00 0.00 O ATOM 0 H GLY A 26 7.628 -5.596 -5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.858 -7.802 -5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.082 -7.650 -4.132 1.00 0.00 H new ATOM 368 N LEU A 27 6.069 -7.239 -2.950 1.00 0.00 N ATOM 369 CA LEU A 27 5.243 -7.619 -1.815 1.00 0.00 C ATOM 370 C LEU A 27 4.081 -8.501 -2.242 1.00 0.00 C ATOM 371 O LEU A 27 3.447 -8.286 -3.280 1.00 0.00 O ATOM 372 CB LEU A 27 4.673 -6.386 -1.112 1.00 0.00 C ATOM 373 CG LEU A 27 5.719 -5.421 -0.550 1.00 0.00 C ATOM 374 CD1 LEU A 27 5.072 -4.094 -0.141 1.00 0.00 C ATOM 375 CD2 LEU A 27 6.429 -6.060 0.642 1.00 0.00 C ATOM 0 H LEU A 27 5.789 -6.362 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 27 5.889 -8.172 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.042 -5.844 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.030 -6.716 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 27 6.453 -5.212 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.835 -3.424 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.603 -3.635 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.317 -4.278 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.172 -5.367 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.700 -6.291 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.922 -6.978 0.322 1.00 0.00 H new ATOM 387 N THR A 28 3.743 -9.440 -1.369 1.00 0.00 N ATOM 388 CA THR A 28 2.588 -10.306 -1.514 1.00 0.00 C ATOM 389 C THR A 28 1.325 -9.606 -0.980 1.00 0.00 C ATOM 390 O THR A 28 1.415 -8.591 -0.277 1.00 0.00 O ATOM 391 CB THR A 28 2.874 -11.638 -0.798 1.00 0.00 C ATOM 392 OG1 THR A 28 3.107 -11.442 0.583 1.00 0.00 O ATOM 393 CG2 THR A 28 4.095 -12.359 -1.379 1.00 0.00 C ATOM 0 H THR A 28 4.279 -9.623 -0.521 1.00 0.00 H new ATOM 0 HA THR A 28 2.402 -10.521 -2.566 1.00 0.00 H new ATOM 0 HB THR A 28 1.985 -12.250 -0.950 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.037 -11.164 0.722 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.256 -13.293 -0.841 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.923 -12.573 -2.434 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.975 -11.725 -1.276 1.00 0.00 H new ATOM 401 N GLN A 29 0.141 -10.165 -1.244 1.00 0.00 N ATOM 402 CA GLN A 29 -1.092 -9.758 -0.567 1.00 0.00 C ATOM 403 C GLN A 29 -0.954 -9.952 0.945 1.00 0.00 C ATOM 404 O GLN A 29 -1.327 -9.064 1.710 1.00 0.00 O ATOM 405 CB GLN A 29 -2.295 -10.556 -1.085 1.00 0.00 C ATOM 406 CG GLN A 29 -2.609 -10.242 -2.549 1.00 0.00 C ATOM 407 CD GLN A 29 -3.757 -11.091 -3.079 1.00 0.00 C ATOM 408 OE1 GLN A 29 -3.807 -12.302 -2.873 1.00 0.00 O ATOM 409 NE2 GLN A 29 -4.674 -10.486 -3.804 1.00 0.00 N ATOM 0 H GLN A 29 0.011 -10.909 -1.930 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.261 -8.703 -0.781 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.095 -11.622 -0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.168 -10.333 -0.472 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.863 -9.187 -2.647 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.720 -10.414 -3.156 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.616 -9.480 -3.964 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.443 -11.023 -4.206 1.00 0.00 H new ATOM 418 N LYS A 30 -0.387 -11.080 1.384 1.00 0.00 N ATOM 419 CA LYS A 30 -0.129 -11.342 2.798 1.00 0.00 C ATOM 420 C LYS A 30 0.741 -10.274 3.444 1.00 0.00 C ATOM 421 O LYS A 30 0.496 -9.902 4.588 1.00 0.00 O ATOM 422 CB LYS A 30 0.453 -12.751 2.974 1.00 0.00 C ATOM 423 CG LYS A 30 -0.616 -13.639 3.615 1.00 0.00 C ATOM 424 CD LYS A 30 -0.106 -15.055 3.850 1.00 0.00 C ATOM 425 CE LYS A 30 -1.150 -15.819 4.671 1.00 0.00 C ATOM 426 NZ LYS A 30 -0.975 -17.273 4.531 1.00 0.00 N ATOM 0 H LYS A 30 -0.095 -11.837 0.766 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.082 -11.297 3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.757 -13.159 2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.344 -12.718 3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.930 -13.203 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.496 -13.671 2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.069 -15.557 2.899 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.847 -15.031 4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.067 -15.539 5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.151 -15.537 4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.695 -17.765 5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.078 -17.540 3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.028 -17.542 4.865 1.00 0.00 H new ATOM 440 N ASP A 31 1.715 -9.730 2.717 1.00 0.00 N ATOM 441 CA ASP A 31 2.534 -8.645 3.245 1.00 0.00 C ATOM 442 C ASP A 31 1.676 -7.412 3.497 1.00 0.00 C ATOM 443 O ASP A 31 1.895 -6.716 4.482 1.00 0.00 O ATOM 444 CB ASP A 31 3.678 -8.279 2.293 1.00 0.00 C ATOM 445 CG ASP A 31 4.756 -9.349 2.250 1.00 0.00 C ATOM 446 OD1 ASP A 31 5.234 -9.773 3.320 1.00 0.00 O ATOM 447 OD2 ASP A 31 5.073 -9.822 1.131 1.00 0.00 O ATOM 0 H ASP A 31 1.954 -10.021 1.769 1.00 0.00 H new ATOM 0 HA ASP A 31 2.968 -8.994 4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.279 -8.128 1.290 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.120 -7.333 2.606 1.00 0.00 H new ATOM 452 N LEU A 32 0.706 -7.125 2.619 1.00 0.00 N ATOM 453 CA LEU A 32 -0.184 -5.976 2.754 1.00 0.00 C ATOM 454 C LEU A 32 -1.055 -6.157 3.994 1.00 0.00 C ATOM 455 O LEU A 32 -1.137 -5.255 4.821 1.00 0.00 O ATOM 456 CB LEU A 32 -1.062 -5.820 1.493 1.00 0.00 C ATOM 457 CG LEU A 32 -1.489 -4.374 1.166 1.00 0.00 C ATOM 458 CD1 LEU A 32 -1.954 -3.549 2.363 1.00 0.00 C ATOM 459 CD2 LEU A 32 -0.345 -3.603 0.512 1.00 0.00 C ATOM 0 H LEU A 32 0.520 -7.691 1.791 1.00 0.00 H new ATOM 0 HA LEU A 32 0.412 -5.070 2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.518 -6.223 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.958 -6.428 1.616 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.340 -4.502 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.232 -2.549 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.816 -4.031 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.146 -3.477 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.671 -2.587 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.507 -3.571 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.054 -4.100 -0.413 1.00 0.00 H new ATOM 471 N ALA A 33 -1.660 -7.339 4.127 1.00 0.00 N ATOM 472 CA ALA A 33 -2.502 -7.735 5.244 1.00 0.00 C ATOM 473 C ALA A 33 -1.762 -7.437 6.541 1.00 0.00 C ATOM 474 O ALA A 33 -2.241 -6.641 7.339 1.00 0.00 O ATOM 475 CB ALA A 33 -2.830 -9.218 5.092 1.00 0.00 C ATOM 0 H ALA A 33 -1.569 -8.074 3.426 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.440 -7.180 5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.462 -9.538 5.921 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.356 -9.380 4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.907 -9.797 5.096 1.00 0.00 H new ATOM 481 N THR A 34 -0.560 -7.983 6.708 1.00 0.00 N ATOM 482 CA THR A 34 0.280 -7.734 7.868 1.00 0.00 C ATOM 483 C THR A 34 0.626 -6.244 8.029 1.00 0.00 C ATOM 484 O THR A 34 0.545 -5.728 9.146 1.00 0.00 O ATOM 485 CB THR A 34 1.523 -8.616 7.730 1.00 0.00 C ATOM 486 OG1 THR A 34 1.114 -9.970 7.692 1.00 0.00 O ATOM 487 CG2 THR A 34 2.502 -8.437 8.890 1.00 0.00 C ATOM 0 H THR A 34 -0.140 -8.619 6.030 1.00 0.00 H new ATOM 0 HA THR A 34 -0.256 -7.992 8.782 1.00 0.00 H new ATOM 0 HB THR A 34 2.036 -8.323 6.814 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.839 -10.203 6.781 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.365 -9.086 8.741 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.831 -7.399 8.931 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.009 -8.698 9.826 1.00 0.00 H new ATOM 495 N LYS A 35 0.992 -5.530 6.956 1.00 0.00 N ATOM 496 CA LYS A 35 1.342 -4.113 7.002 1.00 0.00 C ATOM 497 C LYS A 35 0.199 -3.255 7.541 1.00 0.00 C ATOM 498 O LYS A 35 0.479 -2.259 8.207 1.00 0.00 O ATOM 499 CB LYS A 35 1.776 -3.650 5.604 1.00 0.00 C ATOM 500 CG LYS A 35 3.240 -4.007 5.315 1.00 0.00 C ATOM 501 CD LYS A 35 3.625 -3.735 3.857 1.00 0.00 C ATOM 502 CE LYS A 35 5.004 -4.311 3.502 1.00 0.00 C ATOM 503 NZ LYS A 35 6.096 -3.792 4.349 1.00 0.00 N ATOM 0 H LYS A 35 1.053 -5.931 6.020 1.00 0.00 H new ATOM 0 HA LYS A 35 2.173 -3.987 7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.134 -4.111 4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.641 -2.572 5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.890 -3.431 5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.407 -5.060 5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.872 -4.167 3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.626 -2.660 3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.970 -5.397 3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.225 -4.085 2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.001 -4.195 4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.133 -2.756 4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.924 -4.059 5.339 1.00 0.00 H new ATOM 517 N ILE A 36 -1.061 -3.619 7.290 1.00 0.00 N ATOM 518 CA ILE A 36 -2.227 -2.903 7.817 1.00 0.00 C ATOM 519 C ILE A 36 -2.876 -3.645 8.996 1.00 0.00 C ATOM 520 O ILE A 36 -3.845 -3.151 9.571 1.00 0.00 O ATOM 521 CB ILE A 36 -3.216 -2.545 6.689 1.00 0.00 C ATOM 522 CG1 ILE A 36 -4.002 -3.752 6.153 1.00 0.00 C ATOM 523 CG2 ILE A 36 -2.482 -1.798 5.567 1.00 0.00 C ATOM 524 CD1 ILE A 36 -5.108 -3.353 5.170 1.00 0.00 C ATOM 0 H ILE A 36 -1.303 -4.424 6.712 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.883 -1.956 8.232 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.970 -1.887 7.121 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.313 -4.438 5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.444 -4.292 6.990 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.187 -1.549 4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.045 -0.882 5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.692 -2.432 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.628 -4.247 4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.816 -2.690 5.668 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.668 -2.838 4.316 1.00 0.00 H new ATOM 536 N ASN A 37 -2.307 -4.782 9.397 1.00 0.00 N ATOM 537 CA ASN A 37 -2.773 -5.713 10.416 1.00 0.00 C ATOM 538 C ASN A 37 -4.215 -6.201 10.195 1.00 0.00 C ATOM 539 O ASN A 37 -5.001 -6.307 11.134 1.00 0.00 O ATOM 540 CB ASN A 37 -2.502 -5.131 11.808 1.00 0.00 C ATOM 541 CG ASN A 37 -2.627 -6.193 12.888 1.00 0.00 C ATOM 542 OD1 ASN A 37 -2.176 -7.323 12.729 1.00 0.00 O ATOM 543 ND2 ASN A 37 -3.168 -5.835 14.037 1.00 0.00 N ATOM 0 H ASN A 37 -1.433 -5.099 8.979 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.195 -6.633 10.331 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.502 -4.699 11.835 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.204 -4.322 12.009 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.215 -6.501 14.808 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.539 -4.892 14.154 1.00 0.00 H new ATOM 550 N GLU A 38 -4.560 -6.558 8.956 1.00 0.00 N ATOM 551 CA GLU A 38 -5.846 -7.125 8.530 1.00 0.00 C ATOM 552 C GLU A 38 -5.674 -8.569 8.048 1.00 0.00 C ATOM 553 O GLU A 38 -4.547 -9.069 8.028 1.00 0.00 O ATOM 554 CB GLU A 38 -6.424 -6.260 7.397 1.00 0.00 C ATOM 555 CG GLU A 38 -7.060 -4.960 7.919 1.00 0.00 C ATOM 556 CD GLU A 38 -8.230 -5.171 8.889 1.00 0.00 C ATOM 557 OE1 GLU A 38 -8.762 -6.298 8.994 1.00 0.00 O ATOM 558 OE2 GLU A 38 -8.667 -4.187 9.523 1.00 0.00 O ATOM 0 H GLU A 38 -3.912 -6.454 8.175 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.529 -7.132 9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.632 -6.015 6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.173 -6.834 6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.292 -4.369 8.418 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.410 -4.374 7.069 1.00 0.00 H new ATOM 565 N LYS A 39 -6.758 -9.259 7.661 1.00 0.00 N ATOM 566 CA LYS A 39 -6.643 -10.542 6.969 1.00 0.00 C ATOM 567 C LYS A 39 -6.238 -10.304 5.515 1.00 0.00 C ATOM 568 O LYS A 39 -6.733 -9.363 4.897 1.00 0.00 O ATOM 569 CB LYS A 39 -7.989 -11.280 6.973 1.00 0.00 C ATOM 570 CG LYS A 39 -8.417 -11.789 8.351 1.00 0.00 C ATOM 571 CD LYS A 39 -7.553 -12.960 8.827 1.00 0.00 C ATOM 572 CE LYS A 39 -8.140 -13.590 10.090 1.00 0.00 C ATOM 573 NZ LYS A 39 -7.182 -14.518 10.719 1.00 0.00 N ATOM 0 H LYS A 39 -7.717 -8.948 7.817 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.893 -11.142 7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.759 -10.611 6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.930 -12.125 6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.353 -10.975 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.461 -12.101 8.314 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.484 -13.710 8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.539 -12.612 9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.410 -12.807 10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.057 -14.124 9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.608 -14.930 11.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.944 -15.278 10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.317 -14.001 10.978 1.00 0.00 H new ATOM 587 N PRO A 40 -5.475 -11.226 4.903 1.00 0.00 N ATOM 588 CA PRO A 40 -5.205 -11.210 3.470 1.00 0.00 C ATOM 589 C PRO A 40 -6.444 -11.530 2.635 1.00 0.00 C ATOM 590 O PRO A 40 -6.410 -11.383 1.413 1.00 0.00 O ATOM 591 CB PRO A 40 -4.059 -12.201 3.264 1.00 0.00 C ATOM 592 CG PRO A 40 -4.177 -13.173 4.438 1.00 0.00 C ATOM 593 CD PRO A 40 -4.857 -12.373 5.544 1.00 0.00 C ATOM 0 HA PRO A 40 -4.923 -10.215 3.125 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.149 -12.719 2.309 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.093 -11.696 3.263 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.764 -14.050 4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.197 -13.531 4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.603 -12.979 6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.133 -12.055 6.294 1.00 0.00 H new ATOM 601 N GLN A 41 -7.549 -11.927 3.273 1.00 0.00 N ATOM 602 CA GLN A 41 -8.850 -11.988 2.644 1.00 0.00 C ATOM 603 C GLN A 41 -9.198 -10.622 2.056 1.00 0.00 C ATOM 604 O GLN A 41 -9.348 -10.516 0.842 1.00 0.00 O ATOM 605 CB GLN A 41 -9.899 -12.458 3.663 1.00 0.00 C ATOM 606 CG GLN A 41 -11.288 -12.553 3.024 1.00 0.00 C ATOM 607 CD GLN A 41 -11.339 -13.538 1.862 1.00 0.00 C ATOM 608 OE1 GLN A 41 -11.024 -14.721 2.012 1.00 0.00 O ATOM 609 NE2 GLN A 41 -11.712 -13.063 0.689 1.00 0.00 N ATOM 0 H GLN A 41 -7.554 -12.216 4.251 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.837 -12.710 1.827 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.612 -13.431 4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.929 -11.765 4.504 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -12.011 -12.855 3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.589 -11.566 2.671 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.967 -12.080 0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.745 -13.679 -0.123 1.00 0.00 H new ATOM 618 N VAL A 42 -9.335 -9.589 2.894 1.00 0.00 N ATOM 619 CA VAL A 42 -9.894 -8.332 2.414 1.00 0.00 C ATOM 620 C VAL A 42 -8.946 -7.652 1.428 1.00 0.00 C ATOM 621 O VAL A 42 -9.406 -6.891 0.589 1.00 0.00 O ATOM 622 CB VAL A 42 -10.345 -7.413 3.565 1.00 0.00 C ATOM 623 CG1 VAL A 42 -11.256 -8.188 4.531 1.00 0.00 C ATOM 624 CG2 VAL A 42 -9.191 -6.766 4.345 1.00 0.00 C ATOM 0 H VAL A 42 -9.073 -9.600 3.880 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.805 -8.561 1.862 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.890 -6.594 3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.570 -7.530 5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.134 -8.547 3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.711 -9.037 4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.595 -6.135 5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.567 -7.544 4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.590 -6.158 3.668 1.00 0.00 H new ATOM 634 N ILE A 43 -7.646 -7.958 1.472 1.00 0.00 N ATOM 635 CA ILE A 43 -6.672 -7.517 0.483 1.00 0.00 C ATOM 636 C ILE A 43 -7.033 -8.071 -0.905 1.00 0.00 C ATOM 637 O ILE A 43 -7.037 -7.337 -1.897 1.00 0.00 O ATOM 638 CB ILE A 43 -5.272 -7.969 0.947 1.00 0.00 C ATOM 639 CG1 ILE A 43 -4.902 -7.475 2.361 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.203 -7.544 -0.058 1.00 0.00 C ATOM 641 CD1 ILE A 43 -4.977 -5.963 2.589 1.00 0.00 C ATOM 0 H ILE A 43 -7.239 -8.530 2.212 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.677 -6.431 0.395 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.311 -9.057 0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.562 -7.963 3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.888 -7.806 2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.224 -7.874 0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.414 -7.996 -1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.207 -6.458 -0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.696 -5.736 3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.294 -5.458 1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.995 -5.618 2.407 1.00 0.00 H new ATOM 653 N ALA A 44 -7.345 -9.368 -0.976 1.00 0.00 N ATOM 654 CA ALA A 44 -7.756 -10.024 -2.209 1.00 0.00 C ATOM 655 C ALA A 44 -9.096 -9.491 -2.733 1.00 0.00 C ATOM 656 O ALA A 44 -9.351 -9.547 -3.943 1.00 0.00 O ATOM 657 CB ALA A 44 -7.822 -11.536 -1.971 1.00 0.00 C ATOM 0 H ALA A 44 -7.318 -9.993 -0.170 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.017 -9.804 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.129 -12.036 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.840 -11.900 -1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.544 -11.749 -1.183 1.00 0.00 H new ATOM 663 N ASP A 45 -9.952 -8.989 -1.842 1.00 0.00 N ATOM 664 CA ASP A 45 -11.228 -8.370 -2.188 1.00 0.00 C ATOM 665 C ASP A 45 -11.022 -6.927 -2.661 1.00 0.00 C ATOM 666 O ASP A 45 -11.670 -6.504 -3.623 1.00 0.00 O ATOM 667 CB ASP A 45 -12.182 -8.402 -0.988 1.00 0.00 C ATOM 668 CG ASP A 45 -12.712 -9.801 -0.698 1.00 0.00 C ATOM 669 OD1 ASP A 45 -13.496 -10.321 -1.524 1.00 0.00 O ATOM 670 OD2 ASP A 45 -12.418 -10.353 0.385 1.00 0.00 O ATOM 0 H ASP A 45 -9.772 -9.003 -0.838 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.672 -8.940 -3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.664 -8.024 -0.107 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -13.021 -7.732 -1.177 1.00 0.00 H new ATOM 675 N TYR A 46 -10.106 -6.179 -2.029 1.00 0.00 N ATOM 676 CA TYR A 46 -9.714 -4.819 -2.389 1.00 0.00 C ATOM 677 C TYR A 46 -9.267 -4.745 -3.845 1.00 0.00 C ATOM 678 O TYR A 46 -9.592 -3.779 -4.532 1.00 0.00 O ATOM 679 CB TYR A 46 -8.563 -4.348 -1.482 1.00 0.00 C ATOM 680 CG TYR A 46 -8.890 -3.221 -0.525 1.00 0.00 C ATOM 681 CD1 TYR A 46 -8.774 -1.888 -0.953 1.00 0.00 C ATOM 682 CD2 TYR A 46 -9.242 -3.495 0.809 1.00 0.00 C ATOM 683 CE1 TYR A 46 -8.974 -0.832 -0.050 1.00 0.00 C ATOM 684 CE2 TYR A 46 -9.478 -2.445 1.711 1.00 0.00 C ATOM 685 CZ TYR A 46 -9.342 -1.104 1.285 1.00 0.00 C ATOM 686 OH TYR A 46 -9.540 -0.062 2.139 1.00 0.00 O ATOM 0 H TYR A 46 -9.598 -6.527 -1.216 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.581 -4.172 -2.255 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.212 -5.201 -0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.734 -4.031 -2.115 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.529 -1.674 -1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.331 -4.519 1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.846 0.189 -0.377 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.763 -2.662 2.730 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.400 -0.172 2.595 1.00 0.00 H new ATOM 696 N GLU A 47 -8.526 -5.749 -4.322 1.00 0.00 N ATOM 697 CA GLU A 47 -7.998 -5.762 -5.681 1.00 0.00 C ATOM 698 C GLU A 47 -9.113 -5.732 -6.726 1.00 0.00 C ATOM 699 O GLU A 47 -8.981 -5.022 -7.726 1.00 0.00 O ATOM 700 CB GLU A 47 -7.077 -6.971 -5.885 1.00 0.00 C ATOM 701 CG GLU A 47 -5.616 -6.540 -5.729 1.00 0.00 C ATOM 702 CD GLU A 47 -4.672 -7.721 -5.931 1.00 0.00 C ATOM 703 OE1 GLU A 47 -4.586 -8.298 -7.038 1.00 0.00 O ATOM 704 OE2 GLU A 47 -4.000 -8.092 -4.944 1.00 0.00 O ATOM 0 H GLU A 47 -8.278 -6.573 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.411 -4.854 -5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.316 -7.749 -5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.236 -7.399 -6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.385 -5.758 -6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.463 -6.113 -4.738 1.00 0.00 H new ATOM 711 N SER A 48 -10.212 -6.454 -6.508 1.00 0.00 N ATOM 712 CA SER A 48 -11.383 -6.362 -7.376 1.00 0.00 C ATOM 713 C SER A 48 -12.265 -5.157 -7.060 1.00 0.00 C ATOM 714 O SER A 48 -13.024 -4.742 -7.932 1.00 0.00 O ATOM 715 CB SER A 48 -12.236 -7.615 -7.225 1.00 0.00 C ATOM 716 OG SER A 48 -11.693 -8.711 -7.941 1.00 0.00 O ATOM 0 H SER A 48 -10.315 -7.111 -5.735 1.00 0.00 H new ATOM 0 HA SER A 48 -11.004 -6.254 -8.392 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.317 -7.875 -6.169 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.246 -7.412 -7.582 1.00 0.00 H new ATOM 0 HG SER A 48 -12.266 -9.497 -7.819 1.00 0.00 H new ATOM 722 N GLY A 49 -12.209 -4.633 -5.833 1.00 0.00 N ATOM 723 CA GLY A 49 -13.139 -3.613 -5.376 1.00 0.00 C ATOM 724 C GLY A 49 -14.352 -4.198 -4.656 1.00 0.00 C ATOM 725 O GLY A 49 -15.284 -3.459 -4.352 1.00 0.00 O ATOM 0 H GLY A 49 -11.518 -4.907 -5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.620 -2.928 -4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.477 -3.027 -6.231 1.00 0.00 H new ATOM 729 N ARG A 50 -14.379 -5.512 -4.387 1.00 0.00 N ATOM 730 CA ARG A 50 -15.490 -6.118 -3.649 1.00 0.00 C ATOM 731 C ARG A 50 -15.495 -5.625 -2.208 1.00 0.00 C ATOM 732 O ARG A 50 -16.570 -5.418 -1.646 1.00 0.00 O ATOM 733 CB ARG A 50 -15.434 -7.649 -3.678 1.00 0.00 C ATOM 734 CG ARG A 50 -15.680 -8.221 -5.081 1.00 0.00 C ATOM 735 CD ARG A 50 -15.958 -9.726 -4.998 1.00 0.00 C ATOM 736 NE ARG A 50 -16.011 -10.340 -6.339 1.00 0.00 N ATOM 737 CZ ARG A 50 -16.991 -11.100 -6.847 1.00 0.00 C ATOM 738 NH1 ARG A 50 -18.118 -11.360 -6.196 1.00 0.00 N ATOM 739 NH2 ARG A 50 -16.861 -11.611 -8.064 1.00 0.00 N ATOM 0 H ARG A 50 -13.650 -6.168 -4.668 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.413 -5.813 -4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.459 -7.980 -3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -16.179 -8.049 -2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -16.525 -7.713 -5.546 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.811 -8.039 -5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.181 -10.209 -4.406 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.903 -9.895 -4.482 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.211 -10.166 -6.948 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.269 -10.975 -5.264 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -18.833 -11.945 -6.628 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.018 -11.425 -8.608 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.604 -12.190 -8.456 1.00 0.00 H new ATOM 753 N ALA A 51 -14.313 -5.450 -1.611 1.00 0.00 N ATOM 754 CA ALA A 51 -14.195 -4.742 -0.352 1.00 0.00 C ATOM 755 C ALA A 51 -14.520 -3.281 -0.647 1.00 0.00 C ATOM 756 O ALA A 51 -13.785 -2.643 -1.400 1.00 0.00 O ATOM 757 CB ALA A 51 -12.779 -4.881 0.224 1.00 0.00 C ATOM 0 H ALA A 51 -13.429 -5.792 -1.987 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.876 -5.153 0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.716 -4.341 1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.557 -5.935 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.058 -4.466 -0.480 1.00 0.00 H new ATOM 763 N ILE A 52 -15.610 -2.763 -0.082 1.00 0.00 N ATOM 764 CA ILE A 52 -15.892 -1.336 -0.127 1.00 0.00 C ATOM 765 C ILE A 52 -14.852 -0.675 0.784 1.00 0.00 C ATOM 766 O ILE A 52 -14.831 -0.982 1.981 1.00 0.00 O ATOM 767 CB ILE A 52 -17.336 -1.029 0.304 1.00 0.00 C ATOM 768 CG1 ILE A 52 -18.361 -1.711 -0.625 1.00 0.00 C ATOM 769 CG2 ILE A 52 -17.580 0.492 0.356 1.00 0.00 C ATOM 770 CD1 ILE A 52 -18.285 -1.302 -2.104 1.00 0.00 C ATOM 0 H ILE A 52 -16.311 -3.315 0.412 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.817 -0.944 -1.141 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.473 -1.436 1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -18.226 -2.790 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.363 -1.491 -0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.608 0.685 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -16.896 0.946 1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -17.409 0.922 -0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.047 -1.838 -2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.454 -0.229 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -17.300 -1.548 -2.499 1.00 0.00 H new ATOM 782 N PRO A 53 -13.978 0.191 0.256 1.00 0.00 N ATOM 783 CA PRO A 53 -12.883 0.744 1.022 1.00 0.00 C ATOM 784 C PRO A 53 -13.377 1.906 1.890 1.00 0.00 C ATOM 785 O PRO A 53 -14.330 2.607 1.532 1.00 0.00 O ATOM 786 CB PRO A 53 -11.897 1.196 -0.051 1.00 0.00 C ATOM 787 CG PRO A 53 -12.781 1.655 -1.205 1.00 0.00 C ATOM 788 CD PRO A 53 -13.964 0.695 -1.111 1.00 0.00 C ATOM 0 HA PRO A 53 -12.429 0.040 1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.261 2.005 0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.238 0.382 -0.354 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.091 2.694 -1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -12.270 1.578 -2.165 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -14.898 1.206 -1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.859 -0.122 -1.825 1.00 0.00 H new ATOM 796 N ASN A 54 -12.679 2.173 2.994 1.00 0.00 N ATOM 797 CA ASN A 54 -12.937 3.307 3.886 1.00 0.00 C ATOM 798 C ASN A 54 -11.634 4.074 4.083 1.00 0.00 C ATOM 799 O ASN A 54 -10.563 3.474 3.974 1.00 0.00 O ATOM 800 CB ASN A 54 -13.463 2.791 5.230 1.00 0.00 C ATOM 801 CG ASN A 54 -13.987 3.897 6.146 1.00 0.00 C ATOM 802 OD1 ASN A 54 -14.166 5.048 5.747 1.00 0.00 O ATOM 803 ND2 ASN A 54 -14.216 3.580 7.403 1.00 0.00 N ATOM 0 H ASN A 54 -11.899 1.593 3.302 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.687 3.969 3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.262 2.073 5.047 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.664 2.255 5.742 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.545 4.291 8.056 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.065 2.624 7.723 1.00 0.00 H new ATOM 810 N ASN A 55 -11.690 5.375 4.389 1.00 0.00 N ATOM 811 CA ASN A 55 -10.495 6.226 4.429 1.00 0.00 C ATOM 812 C ASN A 55 -9.498 5.770 5.478 1.00 0.00 C ATOM 813 O ASN A 55 -8.298 5.952 5.284 1.00 0.00 O ATOM 814 CB ASN A 55 -10.806 7.691 4.721 1.00 0.00 C ATOM 815 CG ASN A 55 -11.558 8.362 3.600 1.00 0.00 C ATOM 816 OD1 ASN A 55 -11.034 8.480 2.497 1.00 0.00 O ATOM 817 ND2 ASN A 55 -12.782 8.777 3.851 1.00 0.00 N ATOM 0 H ASN A 55 -12.556 5.864 4.614 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.073 6.133 3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.393 7.758 5.637 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.874 8.227 4.899 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.333 9.216 3.113 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -13.179 8.659 4.783 1.00 0.00 H new ATOM 824 N GLN A 56 -9.972 5.198 6.584 1.00 0.00 N ATOM 825 CA GLN A 56 -9.137 4.621 7.621 1.00 0.00 C ATOM 826 C GLN A 56 -8.230 3.554 7.007 1.00 0.00 C ATOM 827 O GLN A 56 -7.006 3.685 7.042 1.00 0.00 O ATOM 828 CB GLN A 56 -10.061 4.070 8.712 1.00 0.00 C ATOM 829 CG GLN A 56 -9.359 3.631 9.998 1.00 0.00 C ATOM 830 CD GLN A 56 -10.394 3.075 10.973 1.00 0.00 C ATOM 831 OE1 GLN A 56 -10.880 1.961 10.801 1.00 0.00 O ATOM 832 NE2 GLN A 56 -10.794 3.815 11.988 1.00 0.00 N ATOM 0 H GLN A 56 -10.970 5.124 6.782 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.479 5.362 8.075 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.798 4.833 8.962 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.608 3.219 8.307 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.608 2.873 9.775 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.836 4.475 10.447 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -10.392 4.741 12.134 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -11.505 3.461 12.628 1.00 0.00 H new ATOM 841 N VAL A 57 -8.826 2.509 6.436 1.00 0.00 N ATOM 842 CA VAL A 57 -8.115 1.369 5.879 1.00 0.00 C ATOM 843 C VAL A 57 -7.299 1.814 4.664 1.00 0.00 C ATOM 844 O VAL A 57 -6.107 1.534 4.636 1.00 0.00 O ATOM 845 CB VAL A 57 -9.123 0.262 5.508 1.00 0.00 C ATOM 846 CG1 VAL A 57 -8.335 -0.984 5.070 1.00 0.00 C ATOM 847 CG2 VAL A 57 -10.067 -0.044 6.686 1.00 0.00 C ATOM 0 H VAL A 57 -9.839 2.433 6.348 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.424 0.964 6.618 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.755 0.595 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.031 -1.779 4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.716 -0.738 4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.698 -1.319 5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.767 -0.828 6.397 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.483 -0.378 7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.620 0.857 6.952 1.00 0.00 H new ATOM 857 N LEU A 58 -7.888 2.553 3.710 1.00 0.00 N ATOM 858 CA LEU A 58 -7.167 3.193 2.608 1.00 0.00 C ATOM 859 C LEU A 58 -5.910 3.877 3.130 1.00 0.00 C ATOM 860 O LEU A 58 -4.845 3.651 2.578 1.00 0.00 O ATOM 861 CB LEU A 58 -8.036 4.229 1.873 1.00 0.00 C ATOM 862 CG LEU A 58 -9.131 3.619 0.984 1.00 0.00 C ATOM 863 CD1 LEU A 58 -10.170 4.688 0.624 1.00 0.00 C ATOM 864 CD2 LEU A 58 -8.555 3.041 -0.313 1.00 0.00 C ATOM 0 H LEU A 58 -8.894 2.723 3.686 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.901 2.408 1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.504 4.882 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.391 4.855 1.257 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.594 2.811 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.942 4.247 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.624 5.076 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.684 5.502 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.361 2.620 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.059 3.832 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.834 2.259 -0.074 1.00 0.00 H new ATOM 876 N GLY A 59 -6.019 4.666 4.202 1.00 0.00 N ATOM 877 CA GLY A 59 -4.910 5.328 4.874 1.00 0.00 C ATOM 878 C GLY A 59 -3.819 4.351 5.305 1.00 0.00 C ATOM 879 O GLY A 59 -2.637 4.587 5.052 1.00 0.00 O ATOM 0 H GLY A 59 -6.919 4.866 4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.480 6.076 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.285 5.858 5.750 1.00 0.00 H new ATOM 883 N LYS A 60 -4.193 3.236 5.942 1.00 0.00 N ATOM 884 CA LYS A 60 -3.237 2.202 6.309 1.00 0.00 C ATOM 885 C LYS A 60 -2.577 1.620 5.062 1.00 0.00 C ATOM 886 O LYS A 60 -1.368 1.409 5.059 1.00 0.00 O ATOM 887 CB LYS A 60 -3.914 1.103 7.134 1.00 0.00 C ATOM 888 CG LYS A 60 -4.531 1.595 8.443 1.00 0.00 C ATOM 889 CD LYS A 60 -4.848 0.378 9.317 1.00 0.00 C ATOM 890 CE LYS A 60 -6.289 0.297 9.799 1.00 0.00 C ATOM 891 NZ LYS A 60 -6.477 0.907 11.133 1.00 0.00 N ATOM 0 H LYS A 60 -5.155 3.032 6.212 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.461 2.654 6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.693 0.638 6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.181 0.329 7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.842 2.263 8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.438 2.165 8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.617 -0.526 8.754 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.189 0.390 10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.938 0.797 9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.598 -0.748 9.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.475 0.825 11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.880 0.414 11.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.209 1.911 11.097 1.00 0.00 H new ATOM 905 N ILE A 61 -3.332 1.373 3.994 1.00 0.00 N ATOM 906 CA ILE A 61 -2.786 0.879 2.737 1.00 0.00 C ATOM 907 C ILE A 61 -1.831 1.925 2.142 1.00 0.00 C ATOM 908 O ILE A 61 -0.798 1.552 1.584 1.00 0.00 O ATOM 909 CB ILE A 61 -3.933 0.456 1.795 1.00 0.00 C ATOM 910 CG1 ILE A 61 -4.713 -0.724 2.404 1.00 0.00 C ATOM 911 CG2 ILE A 61 -3.407 0.069 0.395 1.00 0.00 C ATOM 912 CD1 ILE A 61 -5.890 -1.113 1.524 1.00 0.00 C ATOM 0 H ILE A 61 -4.343 1.511 3.978 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.189 -0.018 2.899 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.598 1.312 1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.048 -1.579 2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.071 -0.454 3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.243 -0.223 -0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.894 0.922 -0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.712 -0.765 0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.423 -1.949 1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.565 -0.263 1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.527 -1.406 0.539 1.00 0.00 H new ATOM 924 N GLU A 62 -2.094 3.226 2.304 1.00 0.00 N ATOM 925 CA GLU A 62 -1.134 4.236 1.853 1.00 0.00 C ATOM 926 C GLU A 62 0.180 4.080 2.615 1.00 0.00 C ATOM 927 O GLU A 62 1.242 4.100 2.004 1.00 0.00 O ATOM 928 CB GLU A 62 -1.589 5.708 1.996 1.00 0.00 C ATOM 929 CG GLU A 62 -3.003 5.994 1.506 1.00 0.00 C ATOM 930 CD GLU A 62 -3.345 7.451 1.195 1.00 0.00 C ATOM 931 OE1 GLU A 62 -2.821 8.390 1.838 1.00 0.00 O ATOM 932 OE2 GLU A 62 -4.278 7.677 0.398 1.00 0.00 O ATOM 0 H GLU A 62 -2.942 3.597 2.733 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.028 4.047 0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.519 5.994 3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.894 6.343 1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.176 5.405 0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.703 5.635 2.261 1.00 0.00 H new ATOM 939 N ARG A 63 0.138 3.867 3.937 1.00 0.00 N ATOM 940 CA ARG A 63 1.340 3.561 4.724 1.00 0.00 C ATOM 941 C ARG A 63 2.020 2.291 4.214 1.00 0.00 C ATOM 942 O ARG A 63 3.250 2.237 4.174 1.00 0.00 O ATOM 943 CB ARG A 63 1.009 3.408 6.218 1.00 0.00 C ATOM 944 CG ARG A 63 0.479 4.703 6.836 1.00 0.00 C ATOM 945 CD ARG A 63 0.143 4.483 8.315 1.00 0.00 C ATOM 946 NE ARG A 63 -0.145 5.750 9.009 1.00 0.00 N ATOM 947 CZ ARG A 63 0.717 6.467 9.737 1.00 0.00 C ATOM 948 NH1 ARG A 63 1.982 6.095 9.883 1.00 0.00 N ATOM 949 NH2 ARG A 63 0.304 7.586 10.312 1.00 0.00 N ATOM 0 H ARG A 63 -0.721 3.901 4.486 1.00 0.00 H new ATOM 0 HA ARG A 63 2.024 4.401 4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.267 2.619 6.344 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.904 3.093 6.755 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.224 5.493 6.738 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.410 5.034 6.299 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.719 3.821 8.396 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.977 3.982 8.806 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.094 6.116 8.926 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.318 5.243 9.434 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.619 6.661 10.444 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.662 7.892 10.197 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.952 8.142 10.870 1.00 0.00 H new ATOM 963 N ALA A 64 1.225 1.291 3.835 1.00 0.00 N ATOM 964 CA ALA A 64 1.667 -0.028 3.409 1.00 0.00 C ATOM 965 C ALA A 64 2.537 0.052 2.154 1.00 0.00 C ATOM 966 O ALA A 64 3.660 -0.452 2.159 1.00 0.00 O ATOM 967 CB ALA A 64 0.455 -0.940 3.166 1.00 0.00 C ATOM 0 H ALA A 64 0.210 1.387 3.817 1.00 0.00 H new ATOM 0 HA ALA A 64 2.276 -0.453 4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.798 -1.924 2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.118 -1.036 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.176 -0.507 2.390 1.00 0.00 H new ATOM 973 N ILE A 65 2.046 0.663 1.071 1.00 0.00 N ATOM 974 CA ILE A 65 2.801 0.744 -0.186 1.00 0.00 C ATOM 975 C ILE A 65 3.650 2.023 -0.235 1.00 0.00 C ATOM 976 O ILE A 65 4.736 2.009 -0.809 1.00 0.00 O ATOM 977 CB ILE A 65 1.881 0.559 -1.414 1.00 0.00 C ATOM 978 CG1 ILE A 65 0.964 1.767 -1.680 1.00 0.00 C ATOM 979 CG2 ILE A 65 1.069 -0.743 -1.262 1.00 0.00 C ATOM 980 CD1 ILE A 65 0.102 1.608 -2.937 1.00 0.00 C ATOM 0 H ILE A 65 1.129 1.109 1.038 1.00 0.00 H new ATOM 0 HA ILE A 65 3.505 -0.088 -0.223 1.00 0.00 H new ATOM 0 HB ILE A 65 2.523 0.486 -2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.314 1.917 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.575 2.664 -1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.421 -0.871 -2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.751 -1.591 -1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.460 -0.689 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.520 2.494 -3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.747 1.488 -3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.535 0.729 -2.833 1.00 0.00 H new ATOM 992 N GLY A 66 3.253 3.086 0.469 1.00 0.00 N ATOM 993 CA GLY A 66 3.929 4.381 0.509 1.00 0.00 C ATOM 994 C GLY A 66 3.538 5.270 -0.661 1.00 0.00 C ATOM 995 O GLY A 66 4.327 6.139 -1.037 1.00 0.00 O ATOM 0 H GLY A 66 2.416 3.065 1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.687 4.886 1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.008 4.226 0.501 1.00 0.00 H new ATOM 999 N LEU A 67 2.325 5.088 -1.194 1.00 0.00 N ATOM 1000 CA LEU A 67 1.719 5.921 -2.223 1.00 0.00 C ATOM 1001 C LEU A 67 0.280 6.236 -1.810 1.00 0.00 C ATOM 1002 O LEU A 67 -0.250 5.594 -0.907 1.00 0.00 O ATOM 1003 CB LEU A 67 1.719 5.213 -3.598 1.00 0.00 C ATOM 1004 CG LEU A 67 3.028 4.556 -4.091 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.726 3.692 -5.321 1.00 0.00 C ATOM 1006 CD2 LEU A 67 4.120 5.574 -4.444 1.00 0.00 C ATOM 0 H LEU A 67 1.718 4.322 -0.903 1.00 0.00 H new ATOM 0 HA LEU A 67 2.302 6.837 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.950 4.441 -3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.413 5.944 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 67 3.411 3.951 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.646 3.226 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.006 2.918 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.310 4.317 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.012 5.048 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.763 6.231 -5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.362 6.168 -3.563 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.346 7.221 -2.451 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.733 7.635 -2.254 1.00 0.00 C ATOM 1020 C LYS A 68 -2.675 6.561 -2.779 1.00 0.00 C ATOM 1021 O LYS A 68 -2.442 6.032 -3.866 1.00 0.00 O ATOM 1022 CB LYS A 68 -1.985 8.924 -3.033 1.00 0.00 C ATOM 1023 CG LYS A 68 -1.327 10.139 -2.362 1.00 0.00 C ATOM 1024 CD LYS A 68 -1.266 11.242 -3.406 1.00 0.00 C ATOM 1025 CE LYS A 68 -0.521 12.503 -2.967 1.00 0.00 C ATOM 1026 NZ LYS A 68 -1.374 13.422 -2.187 1.00 0.00 N ATOM 0 H LYS A 68 0.127 7.782 -3.160 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.911 7.791 -1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.599 8.816 -4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.059 9.093 -3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.904 10.460 -1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.328 9.889 -2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.787 10.848 -4.302 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.284 11.517 -3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.344 12.220 -2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.143 13.023 -3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.822 14.260 -1.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.187 13.716 -2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.714 12.938 -1.332 1.00 0.00 H new ATOM 1040 N LEU A 69 -3.776 6.320 -2.069 1.00 0.00 N ATOM 1041 CA LEU A 69 -4.876 5.424 -2.444 1.00 0.00 C ATOM 1042 C LEU A 69 -6.184 6.220 -2.542 1.00 0.00 C ATOM 1043 O LEU A 69 -7.258 5.635 -2.665 1.00 0.00 O ATOM 1044 CB LEU A 69 -5.015 4.283 -1.420 1.00 0.00 C ATOM 1045 CG LEU A 69 -4.010 3.127 -1.532 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.305 2.219 -2.714 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.543 3.498 -1.677 1.00 0.00 C ATOM 0 H LEU A 69 -3.936 6.768 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.657 4.983 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.931 4.711 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.020 3.869 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.151 2.645 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.567 1.418 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.301 1.790 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.259 2.797 -3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.943 2.590 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.406 4.093 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.227 4.077 -0.809 1.00 0.00 H new ATOM 1059 N ARG A 70 -6.118 7.549 -2.451 1.00 0.00 N ATOM 1060 CA ARG A 70 -7.256 8.453 -2.434 1.00 0.00 C ATOM 1061 C ARG A 70 -6.969 9.591 -3.400 1.00 0.00 C ATOM 1062 O ARG A 70 -5.804 9.941 -3.614 1.00 0.00 O ATOM 1063 CB ARG A 70 -7.449 8.993 -1.008 1.00 0.00 C ATOM 1064 CG ARG A 70 -7.982 7.924 -0.042 1.00 0.00 C ATOM 1065 CD ARG A 70 -7.960 8.405 1.412 1.00 0.00 C ATOM 1066 NE ARG A 70 -6.589 8.478 1.945 1.00 0.00 N ATOM 1067 CZ ARG A 70 -6.244 8.943 3.152 1.00 0.00 C ATOM 1068 NH1 ARG A 70 -7.152 9.468 3.974 1.00 0.00 N ATOM 1069 NH2 ARG A 70 -4.979 8.879 3.542 1.00 0.00 N ATOM 0 H ARG A 70 -5.227 8.041 -2.384 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.168 7.938 -2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.498 9.374 -0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.142 9.834 -1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.002 7.659 -0.321 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.381 7.019 -0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.428 9.388 1.477 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.553 7.729 2.027 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.837 8.145 1.342 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.129 9.521 3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.870 9.817 4.890 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.274 8.477 2.924 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.710 9.232 4.461 1.00 0.00 H new ATOM 1083 N GLY A 71 -8.037 10.201 -3.902 1.00 0.00 N ATOM 1084 CA GLY A 71 -8.016 11.283 -4.868 1.00 0.00 C ATOM 1085 C GLY A 71 -7.460 10.849 -6.226 1.00 0.00 C ATOM 1086 O GLY A 71 -7.003 9.718 -6.395 1.00 0.00 O ATOM 0 H GLY A 71 -8.985 9.939 -3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.028 11.667 -5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.412 12.102 -4.477 1.00 0.00 H new ATOM 1090 N LYS A 72 -7.512 11.745 -7.217 1.00 0.00 N ATOM 1091 CA LYS A 72 -6.997 11.484 -8.562 1.00 0.00 C ATOM 1092 C LYS A 72 -5.471 11.389 -8.579 1.00 0.00 C ATOM 1093 O LYS A 72 -4.922 10.838 -9.531 1.00 0.00 O ATOM 1094 CB LYS A 72 -7.481 12.545 -9.570 1.00 0.00 C ATOM 1095 CG LYS A 72 -8.956 12.367 -9.980 1.00 0.00 C ATOM 1096 CD LYS A 72 -9.321 13.200 -11.219 1.00 0.00 C ATOM 1097 CE LYS A 72 -10.570 12.650 -11.923 1.00 0.00 C ATOM 1098 NZ LYS A 72 -11.025 13.501 -13.047 1.00 0.00 N ATOM 0 H LYS A 72 -7.915 12.676 -7.107 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.396 10.517 -8.867 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.349 13.536 -9.136 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.855 12.502 -10.461 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.150 11.314 -10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.599 12.655 -9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.495 14.235 -10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.482 13.204 -11.915 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.358 11.648 -12.296 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.377 12.555 -11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.870 13.079 -13.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.256 14.451 -12.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.269 13.572 -13.757 1.00 0.00 H new ATOM 1112 N ASP A 73 -4.773 11.866 -7.545 1.00 0.00 N ATOM 1113 CA ASP A 73 -3.313 11.753 -7.433 1.00 0.00 C ATOM 1114 C ASP A 73 -2.891 10.333 -7.016 1.00 0.00 C ATOM 1115 O ASP A 73 -1.780 10.134 -6.529 1.00 0.00 O ATOM 1116 CB ASP A 73 -2.742 12.784 -6.442 1.00 0.00 C ATOM 1117 CG ASP A 73 -3.092 14.235 -6.746 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -3.108 14.646 -7.929 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -3.360 14.983 -5.780 1.00 0.00 O ATOM 0 H ASP A 73 -5.206 12.345 -6.756 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.902 11.961 -8.421 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.102 12.542 -5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.657 12.684 -6.423 1.00 0.00 H new ATOM 1124 N ILE A 74 -3.775 9.340 -7.125 1.00 0.00 N ATOM 1125 CA ILE A 74 -3.531 7.975 -6.702 1.00 0.00 C ATOM 1126 C ILE A 74 -2.224 7.441 -7.310 1.00 0.00 C ATOM 1127 O ILE A 74 -1.896 7.693 -8.478 1.00 0.00 O ATOM 1128 CB ILE A 74 -4.773 7.130 -7.047 1.00 0.00 C ATOM 1129 CG1 ILE A 74 -4.948 6.023 -5.997 1.00 0.00 C ATOM 1130 CG2 ILE A 74 -4.835 6.744 -8.532 1.00 0.00 C ATOM 1131 CD1 ILE A 74 -6.128 5.088 -6.268 1.00 0.00 C ATOM 0 H ILE A 74 -4.705 9.475 -7.522 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.384 7.921 -5.623 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.684 7.723 -6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.033 5.432 -5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.080 6.483 -5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.730 6.150 -8.716 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.867 7.647 -9.142 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.952 6.161 -8.793 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.183 4.335 -5.482 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.053 5.665 -6.284 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.990 4.598 -7.232 1.00 0.00 H new ATOM 1143 N GLY A 75 -1.461 6.704 -6.510 1.00 0.00 N ATOM 1144 CA GLY A 75 -0.210 6.114 -6.936 1.00 0.00 C ATOM 1145 C GLY A 75 0.952 7.112 -6.972 1.00 0.00 C ATOM 1146 O GLY A 75 2.092 6.688 -7.162 1.00 0.00 O ATOM 0 H GLY A 75 -1.701 6.501 -5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.045 5.295 -6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.340 5.683 -7.929 1.00 0.00 H new ATOM 1150 N LYS A 76 0.732 8.419 -6.787 1.00 0.00 N ATOM 1151 CA LYS A 76 1.796 9.336 -6.424 1.00 0.00 C ATOM 1152 C LYS A 76 2.146 9.046 -4.964 1.00 0.00 C ATOM 1153 O LYS A 76 1.296 8.551 -4.224 1.00 0.00 O ATOM 1154 CB LYS A 76 1.343 10.792 -6.564 1.00 0.00 C ATOM 1155 CG LYS A 76 1.010 11.219 -7.999 1.00 0.00 C ATOM 1156 CD LYS A 76 2.069 12.176 -8.555 1.00 0.00 C ATOM 1157 CE LYS A 76 1.533 12.878 -9.804 1.00 0.00 C ATOM 1158 NZ LYS A 76 2.154 14.205 -10.012 1.00 0.00 N ATOM 0 H LYS A 76 -0.183 8.859 -6.886 1.00 0.00 H new ATOM 0 HA LYS A 76 2.654 9.198 -7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.464 10.947 -5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.128 11.442 -6.178 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.943 10.338 -8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.033 11.702 -8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.337 12.914 -7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.977 11.625 -8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.717 12.252 -10.677 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.453 12.994 -9.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.760 14.642 -10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.957 14.813 -9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.182 14.094 -10.122 1.00 0.00 H new ATOM 1172 N PRO A 77 3.372 9.343 -4.535 1.00 0.00 N ATOM 1173 CA PRO A 77 3.848 9.031 -3.202 1.00 0.00 C ATOM 1174 C PRO A 77 3.133 9.851 -2.126 1.00 0.00 C ATOM 1175 O PRO A 77 2.380 10.785 -2.412 1.00 0.00 O ATOM 1176 CB PRO A 77 5.366 9.214 -3.232 1.00 0.00 C ATOM 1177 CG PRO A 77 5.631 10.027 -4.495 1.00 0.00 C ATOM 1178 CD PRO A 77 4.409 9.853 -5.388 1.00 0.00 C ATOM 0 HA PRO A 77 3.616 8.003 -2.923 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.720 9.736 -2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.880 8.254 -3.264 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.788 11.078 -4.253 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.532 9.678 -4.999 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.115 10.801 -5.838 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.617 9.163 -6.206 1.00 0.00 H new ATOM 1186 N ILE A 78 3.379 9.481 -0.870 1.00 0.00 N ATOM 1187 CA ILE A 78 2.947 10.218 0.310 1.00 0.00 C ATOM 1188 C ILE A 78 4.176 10.857 0.967 1.00 0.00 C ATOM 1189 O ILE A 78 5.320 10.504 0.661 1.00 0.00 O ATOM 1190 CB ILE A 78 2.124 9.301 1.250 1.00 0.00 C ATOM 1191 CG1 ILE A 78 2.848 8.007 1.683 1.00 0.00 C ATOM 1192 CG2 ILE A 78 0.828 8.885 0.540 1.00 0.00 C ATOM 1193 CD1 ILE A 78 2.196 7.324 2.898 1.00 0.00 C ATOM 0 H ILE A 78 3.900 8.634 -0.642 1.00 0.00 H new ATOM 0 HA ILE A 78 2.271 11.030 0.042 1.00 0.00 H new ATOM 0 HB ILE A 78 1.947 9.891 2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.862 7.309 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.886 8.241 1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.245 8.240 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.246 9.774 0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.072 8.346 -0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.753 6.422 3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.206 8.006 3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.166 7.060 2.658 1.00 0.00 H new