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 Set 1.1: A 16 LYS NZ :NH3+ -167:sc= 0.0336 (180deg=0) USER MOD Set 1.2: A 19 GLN : amide:sc= 0.0292 K(o=0.063,f=-1) USER MOD Single : A 20 GLN : amide:sc= -0.0834 K(o=-0.083,f=-1.5!) USER MOD Single : A 23 GLN : amide:sc= -0.688 K(o=-0.69,f=-1.3) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 167:sc=-0.00375 (180deg=-0.119) USER MOD Single : A 28 THR OG1 : rot -88:sc= 0.401 USER MOD Single : A 29 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.037) USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0044) USER MOD Single : A 34 THR OG1 : rot 96:sc= 1.2 USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 1.13 (180deg=1.07) USER MOD Single : A 37 ASN : amide:sc= -0.0328 K(o=-0.033,f=-1.9) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.42) USER MOD Single : A 46 TYR OH : rot 180:sc= 0.00214 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc=-0.00527 X(o=-0.0053,f=-0.27) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) 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 -9.098 1.809 -10.180 1.00 0.00 N ATOM 152 CA GLU A 13 -7.976 2.581 -9.674 1.00 0.00 C ATOM 153 C GLU A 13 -7.435 1.956 -8.393 1.00 0.00 C ATOM 154 O GLU A 13 -6.284 1.550 -8.387 1.00 0.00 O ATOM 155 CB GLU A 13 -8.376 4.045 -9.497 1.00 0.00 C ATOM 156 CG GLU A 13 -7.937 4.877 -10.708 1.00 0.00 C ATOM 157 CD GLU A 13 -8.653 6.224 -10.750 1.00 0.00 C ATOM 158 OE1 GLU A 13 -8.734 6.906 -9.703 1.00 0.00 O ATOM 159 OE2 GLU A 13 -9.151 6.607 -11.837 1.00 0.00 O ATOM 0 HA GLU A 13 -7.164 2.561 -10.401 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.456 4.119 -9.371 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.921 4.445 -8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.860 5.037 -10.669 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.144 4.325 -11.625 1.00 0.00 H new ATOM 166 N VAL A 14 -8.217 1.863 -7.310 1.00 0.00 N ATOM 167 CA VAL A 14 -7.711 1.402 -6.008 1.00 0.00 C ATOM 168 C VAL A 14 -7.026 0.036 -6.146 1.00 0.00 C ATOM 169 O VAL A 14 -5.843 -0.072 -5.834 1.00 0.00 O ATOM 170 CB VAL A 14 -8.836 1.453 -4.951 1.00 0.00 C ATOM 171 CG1 VAL A 14 -8.523 0.748 -3.631 1.00 0.00 C ATOM 172 CG2 VAL A 14 -9.106 2.905 -4.550 1.00 0.00 C ATOM 0 H VAL A 14 -9.209 2.102 -7.309 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.935 2.077 -5.647 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.672 0.951 -5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.375 0.841 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.324 -0.307 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.647 1.206 -3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.900 2.935 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.199 3.342 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.411 3.474 -5.428 1.00 0.00 H new ATOM 182 N GLY A 15 -7.721 -0.982 -6.659 1.00 0.00 N ATOM 183 CA GLY A 15 -7.148 -2.295 -6.911 1.00 0.00 C ATOM 184 C GLY A 15 -5.899 -2.244 -7.793 1.00 0.00 C ATOM 185 O GLY A 15 -4.921 -2.924 -7.486 1.00 0.00 O ATOM 0 H GLY A 15 -8.707 -0.911 -6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.895 -2.763 -5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.897 -2.927 -7.388 1.00 0.00 H new ATOM 189 N LYS A 16 -5.899 -1.432 -8.858 1.00 0.00 N ATOM 190 CA LYS A 16 -4.742 -1.277 -9.739 1.00 0.00 C ATOM 191 C LYS A 16 -3.561 -0.701 -8.961 1.00 0.00 C ATOM 192 O LYS A 16 -2.464 -1.245 -9.055 1.00 0.00 O ATOM 193 CB LYS A 16 -5.130 -0.405 -10.952 1.00 0.00 C ATOM 194 CG LYS A 16 -4.005 -0.106 -11.962 1.00 0.00 C ATOM 195 CD LYS A 16 -3.838 -1.136 -13.088 1.00 0.00 C ATOM 196 CE LYS A 16 -3.514 -2.552 -12.599 1.00 0.00 C ATOM 197 NZ LYS A 16 -3.509 -3.540 -13.695 1.00 0.00 N ATOM 0 H LYS A 16 -6.702 -0.866 -9.130 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.429 -2.250 -10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.944 -0.899 -11.482 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.519 0.543 -10.582 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.193 0.870 -12.410 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.063 -0.031 -11.419 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.755 -1.167 -13.676 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.043 -0.803 -13.755 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.539 -2.550 -12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.246 -2.850 -11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.505 -4.501 -13.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.358 -3.412 -14.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.660 -3.405 -14.280 1.00 0.00 H new ATOM 211 N VAL A 17 -3.767 0.370 -8.197 1.00 0.00 N ATOM 212 CA VAL A 17 -2.734 1.037 -7.412 1.00 0.00 C ATOM 213 C VAL A 17 -2.169 0.066 -6.380 1.00 0.00 C ATOM 214 O VAL A 17 -0.952 0.007 -6.205 1.00 0.00 O ATOM 215 CB VAL A 17 -3.309 2.316 -6.764 1.00 0.00 C ATOM 216 CG1 VAL A 17 -2.324 2.969 -5.788 1.00 0.00 C ATOM 217 CG2 VAL A 17 -3.703 3.335 -7.846 1.00 0.00 C ATOM 0 H VAL A 17 -4.683 0.809 -8.105 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.912 1.345 -8.058 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.190 2.013 -6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.776 3.864 -5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.083 2.267 -4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.412 3.242 -6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.106 4.230 -7.373 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.824 3.600 -8.434 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.458 2.898 -8.499 1.00 0.00 H new ATOM 227 N ILE A 18 -3.037 -0.701 -5.717 1.00 0.00 N ATOM 228 CA ILE A 18 -2.660 -1.708 -4.737 1.00 0.00 C ATOM 229 C ILE A 18 -1.759 -2.739 -5.418 1.00 0.00 C ATOM 230 O ILE A 18 -0.665 -2.998 -4.924 1.00 0.00 O ATOM 231 CB ILE A 18 -3.936 -2.308 -4.097 1.00 0.00 C ATOM 232 CG1 ILE A 18 -4.555 -1.252 -3.156 1.00 0.00 C ATOM 233 CG2 ILE A 18 -3.628 -3.588 -3.294 1.00 0.00 C ATOM 234 CD1 ILE A 18 -6.033 -1.473 -2.850 1.00 0.00 C ATOM 0 H ILE A 18 -4.045 -0.633 -5.854 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.086 -1.278 -3.916 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.629 -2.577 -4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.999 -1.247 -2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.432 -0.266 -3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.550 -3.977 -2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.193 -4.337 -3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.923 -3.356 -2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.388 -0.687 -2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.605 -1.447 -3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.164 -2.443 -2.370 1.00 0.00 H new ATOM 246 N GLN A 19 -2.203 -3.311 -6.539 1.00 0.00 N ATOM 247 CA GLN A 19 -1.477 -4.293 -7.323 1.00 0.00 C ATOM 248 C GLN A 19 -0.092 -3.749 -7.707 1.00 0.00 C ATOM 249 O GLN A 19 0.917 -4.413 -7.469 1.00 0.00 O ATOM 250 CB GLN A 19 -2.369 -4.659 -8.521 1.00 0.00 C ATOM 251 CG GLN A 19 -1.676 -5.544 -9.554 1.00 0.00 C ATOM 252 CD GLN A 19 -2.627 -6.000 -10.660 1.00 0.00 C ATOM 253 OE1 GLN A 19 -3.493 -5.253 -11.120 1.00 0.00 O ATOM 254 NE2 GLN A 19 -2.474 -7.228 -11.118 1.00 0.00 N ATOM 0 H GLN A 19 -3.116 -3.089 -6.935 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.271 -5.204 -6.761 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.260 -5.170 -8.157 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.704 -3.743 -9.007 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.843 -4.998 -9.997 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.255 -6.418 -9.057 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.752 -7.832 -10.726 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.078 -7.573 -11.864 1.00 0.00 H new ATOM 263 N GLN A 20 -0.030 -2.534 -8.258 1.00 0.00 N ATOM 264 CA GLN A 20 1.200 -1.856 -8.646 1.00 0.00 C ATOM 265 C GLN A 20 2.136 -1.679 -7.453 1.00 0.00 C ATOM 266 O GLN A 20 3.293 -2.084 -7.505 1.00 0.00 O ATOM 267 CB GLN A 20 0.849 -0.482 -9.255 1.00 0.00 C ATOM 268 CG GLN A 20 1.091 -0.404 -10.768 1.00 0.00 C ATOM 269 CD GLN A 20 2.505 0.061 -11.145 1.00 0.00 C ATOM 270 OE1 GLN A 20 3.275 0.563 -10.330 1.00 0.00 O ATOM 271 NE2 GLN A 20 2.911 -0.107 -12.389 1.00 0.00 N ATOM 0 H GLN A 20 -0.865 -1.981 -8.451 1.00 0.00 H new ATOM 0 HA GLN A 20 1.718 -2.468 -9.384 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.198 -0.260 -9.051 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.441 0.288 -8.760 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.912 -1.386 -11.206 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.364 0.279 -11.208 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.284 -0.522 -13.078 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.852 0.178 -12.661 1.00 0.00 H new ATOM 280 N GLY A 21 1.676 -1.042 -6.379 1.00 0.00 N ATOM 281 CA GLY A 21 2.569 -0.694 -5.290 1.00 0.00 C ATOM 282 C GLY A 21 2.952 -1.900 -4.447 1.00 0.00 C ATOM 283 O GLY A 21 4.008 -1.870 -3.821 1.00 0.00 O ATOM 0 H GLY A 21 0.704 -0.762 -6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.471 -0.236 -5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.091 0.052 -4.656 1.00 0.00 H new ATOM 287 N ARG A 22 2.150 -2.972 -4.439 1.00 0.00 N ATOM 288 CA ARG A 22 2.609 -4.251 -3.944 1.00 0.00 C ATOM 289 C ARG A 22 3.793 -4.707 -4.786 1.00 0.00 C ATOM 290 O ARG A 22 4.896 -4.831 -4.253 1.00 0.00 O ATOM 291 CB ARG A 22 1.500 -5.312 -4.033 1.00 0.00 C ATOM 292 CG ARG A 22 0.574 -5.330 -2.834 1.00 0.00 C ATOM 293 CD ARG A 22 -0.299 -6.586 -2.676 1.00 0.00 C ATOM 294 NE ARG A 22 -0.833 -7.157 -3.927 1.00 0.00 N ATOM 295 CZ ARG A 22 -0.267 -8.098 -4.695 1.00 0.00 C ATOM 296 NH1 ARG A 22 0.920 -8.620 -4.414 1.00 0.00 N ATOM 297 NH2 ARG A 22 -0.912 -8.528 -5.763 1.00 0.00 N ATOM 0 H ARG A 22 1.186 -2.967 -4.771 1.00 0.00 H new ATOM 0 HA ARG A 22 2.895 -4.136 -2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.911 -5.134 -4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.958 -6.295 -4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.176 -5.215 -1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.081 -4.461 -2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.288 -7.353 -2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.137 -6.343 -2.022 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.733 -6.795 -4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.433 -8.306 -3.590 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.320 -9.335 -5.022 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.828 -8.144 -5.994 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.494 -9.244 -6.357 1.00 0.00 H new ATOM 311 N GLN A 23 3.549 -4.959 -6.078 1.00 0.00 N ATOM 312 CA GLN A 23 4.512 -5.575 -6.979 1.00 0.00 C ATOM 313 C GLN A 23 5.806 -4.779 -7.024 1.00 0.00 C ATOM 314 O GLN A 23 6.887 -5.357 -7.026 1.00 0.00 O ATOM 315 CB GLN A 23 3.873 -5.828 -8.358 1.00 0.00 C ATOM 316 CG GLN A 23 4.075 -4.780 -9.471 1.00 0.00 C ATOM 317 CD GLN A 23 5.450 -4.791 -10.141 1.00 0.00 C ATOM 318 OE1 GLN A 23 6.116 -5.818 -10.230 1.00 0.00 O ATOM 319 NE2 GLN A 23 5.908 -3.661 -10.653 1.00 0.00 N ATOM 0 H GLN A 23 2.661 -4.735 -6.527 1.00 0.00 H new ATOM 0 HA GLN A 23 4.794 -6.556 -6.596 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.252 -6.781 -8.728 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.800 -5.948 -8.208 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.315 -4.937 -10.237 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.903 -3.790 -9.050 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.355 -2.807 -10.580 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.814 -3.644 -11.121 1.00 0.00 H new ATOM 328 N SER A 24 5.720 -3.447 -6.981 1.00 0.00 N ATOM 329 CA SER A 24 6.889 -2.597 -7.111 1.00 0.00 C ATOM 330 C SER A 24 7.848 -2.770 -5.920 1.00 0.00 C ATOM 331 O SER A 24 9.004 -2.351 -5.996 1.00 0.00 O ATOM 332 CB SER A 24 6.389 -1.158 -7.281 1.00 0.00 C ATOM 333 OG SER A 24 7.365 -0.297 -7.843 1.00 0.00 O ATOM 0 H SER A 24 4.844 -2.939 -6.856 1.00 0.00 H new ATOM 0 HA SER A 24 7.479 -2.876 -7.984 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.504 -1.159 -7.917 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.084 -0.768 -6.310 1.00 0.00 H new ATOM 0 HG SER A 24 6.994 0.606 -7.930 1.00 0.00 H new ATOM 339 N LYS A 25 7.392 -3.407 -4.837 1.00 0.00 N ATOM 340 CA LYS A 25 8.073 -3.567 -3.558 1.00 0.00 C ATOM 341 C LYS A 25 8.120 -5.050 -3.164 1.00 0.00 C ATOM 342 O LYS A 25 8.462 -5.364 -2.030 1.00 0.00 O ATOM 343 CB LYS A 25 7.341 -2.705 -2.514 1.00 0.00 C ATOM 344 CG LYS A 25 7.185 -1.244 -2.972 1.00 0.00 C ATOM 345 CD LYS A 25 6.305 -0.422 -2.036 1.00 0.00 C ATOM 346 CE LYS A 25 7.059 0.046 -0.795 1.00 0.00 C ATOM 347 NZ LYS A 25 8.049 1.097 -1.110 1.00 0.00 N ATOM 0 H LYS A 25 6.475 -3.853 -4.836 1.00 0.00 H new ATOM 0 HA LYS A 25 9.108 -3.231 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.356 -3.130 -2.320 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.891 -2.732 -1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.170 -0.781 -3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.757 -1.226 -3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.919 0.445 -2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.445 -1.019 -1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.348 0.426 -0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.566 -0.804 -0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.378 1.539 -0.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.858 0.674 -1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.608 1.819 -1.716 1.00 0.00 H new ATOM 361 N GLY A 26 7.720 -5.949 -4.070 1.00 0.00 N ATOM 362 CA GLY A 26 7.695 -7.390 -3.876 1.00 0.00 C ATOM 363 C GLY A 26 6.633 -7.871 -2.890 1.00 0.00 C ATOM 364 O GLY A 26 6.610 -9.068 -2.587 1.00 0.00 O ATOM 0 H GLY A 26 7.392 -5.673 -4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.525 -7.872 -4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.674 -7.715 -3.525 1.00 0.00 H new ATOM 368 N LEU A 27 5.769 -6.989 -2.379 1.00 0.00 N ATOM 369 CA LEU A 27 4.883 -7.287 -1.255 1.00 0.00 C ATOM 370 C LEU A 27 3.800 -8.247 -1.723 1.00 0.00 C ATOM 371 O LEU A 27 3.028 -7.928 -2.631 1.00 0.00 O ATOM 372 CB LEU A 27 4.232 -6.008 -0.700 1.00 0.00 C ATOM 373 CG LEU A 27 5.237 -4.995 -0.126 1.00 0.00 C ATOM 374 CD1 LEU A 27 4.644 -3.580 -0.096 1.00 0.00 C ATOM 375 CD2 LEU A 27 5.636 -5.407 1.291 1.00 0.00 C ATOM 0 H LEU A 27 5.666 -6.040 -2.739 1.00 0.00 H new ATOM 0 HA LEU A 27 5.473 -7.737 -0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.662 -5.528 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.522 -6.283 0.080 1.00 0.00 H new ATOM 0 HG LEU A 27 6.115 -4.988 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.378 -2.887 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.382 -3.274 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.750 -3.573 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.348 -4.686 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.750 -5.434 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.095 -6.395 1.267 1.00 0.00 H new ATOM 387 N THR A 28 3.711 -9.420 -1.115 1.00 0.00 N ATOM 388 CA THR A 28 2.595 -10.330 -1.330 1.00 0.00 C ATOM 389 C THR A 28 1.296 -9.702 -0.782 1.00 0.00 C ATOM 390 O THR A 28 1.312 -8.634 -0.157 1.00 0.00 O ATOM 391 CB THR A 28 2.931 -11.696 -0.713 1.00 0.00 C ATOM 392 OG1 THR A 28 3.068 -11.592 0.688 1.00 0.00 O ATOM 393 CG2 THR A 28 4.219 -12.303 -1.277 1.00 0.00 C ATOM 0 H THR A 28 4.410 -9.768 -0.459 1.00 0.00 H new ATOM 0 HA THR A 28 2.426 -10.498 -2.394 1.00 0.00 H new ATOM 0 HB THR A 28 2.099 -12.351 -0.970 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.995 -11.363 0.910 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.405 -13.267 -0.804 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.115 -12.441 -2.353 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.055 -11.633 -1.076 1.00 0.00 H new ATOM 401 N GLN A 29 0.144 -10.340 -0.991 1.00 0.00 N ATOM 402 CA GLN A 29 -1.103 -9.868 -0.395 1.00 0.00 C ATOM 403 C GLN A 29 -1.044 -10.024 1.121 1.00 0.00 C ATOM 404 O GLN A 29 -1.450 -9.116 1.847 1.00 0.00 O ATOM 405 CB GLN A 29 -2.295 -10.639 -0.960 1.00 0.00 C ATOM 406 CG GLN A 29 -2.494 -10.337 -2.445 1.00 0.00 C ATOM 407 CD GLN A 29 -3.594 -11.182 -3.051 1.00 0.00 C ATOM 408 OE1 GLN A 29 -3.576 -12.408 -2.995 1.00 0.00 O ATOM 409 NE2 GLN A 29 -4.534 -10.532 -3.703 1.00 0.00 N ATOM 0 H GLN A 29 0.050 -11.178 -1.564 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.230 -8.814 -0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.138 -11.709 -0.821 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.197 -10.375 -0.408 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.736 -9.282 -2.572 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.562 -10.517 -2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.523 -9.512 -3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.274 -11.048 -4.179 1.00 0.00 H new ATOM 418 N LYS A 30 -0.503 -11.144 1.608 1.00 0.00 N ATOM 419 CA LYS A 30 -0.337 -11.393 3.034 1.00 0.00 C ATOM 420 C LYS A 30 0.645 -10.400 3.670 1.00 0.00 C ATOM 421 O LYS A 30 0.525 -10.105 4.861 1.00 0.00 O ATOM 422 CB LYS A 30 0.028 -12.864 3.244 1.00 0.00 C ATOM 423 CG LYS A 30 -0.678 -13.436 4.485 1.00 0.00 C ATOM 424 CD LYS A 30 -0.288 -14.908 4.625 1.00 0.00 C ATOM 425 CE LYS A 30 -0.530 -15.514 6.015 1.00 0.00 C ATOM 426 NZ LYS A 30 -1.940 -15.440 6.451 1.00 0.00 N ATOM 0 H LYS A 30 -0.168 -11.905 1.017 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.276 -11.217 3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.253 -13.441 2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.108 -12.962 3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.388 -12.880 5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.759 -13.338 4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.847 -15.488 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.768 -15.014 4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.214 -16.557 6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.095 -14.996 6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.037 -15.881 7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.235 -14.444 6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.541 -15.943 5.768 1.00 0.00 H new ATOM 440 N ASP A 31 1.573 -9.832 2.895 1.00 0.00 N ATOM 441 CA ASP A 31 2.460 -8.756 3.352 1.00 0.00 C ATOM 442 C ASP A 31 1.674 -7.462 3.499 1.00 0.00 C ATOM 443 O ASP A 31 1.807 -6.783 4.515 1.00 0.00 O ATOM 444 CB ASP A 31 3.641 -8.532 2.394 1.00 0.00 C ATOM 445 CG ASP A 31 4.628 -9.695 2.395 1.00 0.00 C ATOM 446 OD1 ASP A 31 4.795 -10.373 3.431 1.00 0.00 O ATOM 447 OD2 ASP A 31 5.088 -10.063 1.292 1.00 0.00 O ATOM 0 H ASP A 31 1.732 -10.107 1.926 1.00 0.00 H new ATOM 0 HA ASP A 31 2.866 -9.059 4.317 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.261 -8.384 1.383 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.163 -7.617 2.675 1.00 0.00 H new ATOM 452 N LEU A 32 0.831 -7.115 2.519 1.00 0.00 N ATOM 453 CA LEU A 32 -0.016 -5.925 2.603 1.00 0.00 C ATOM 454 C LEU A 32 -0.949 -6.035 3.818 1.00 0.00 C ATOM 455 O LEU A 32 -1.045 -5.104 4.613 1.00 0.00 O ATOM 456 CB LEU A 32 -0.816 -5.736 1.300 1.00 0.00 C ATOM 457 CG LEU A 32 -1.165 -4.277 0.941 1.00 0.00 C ATOM 458 CD1 LEU A 32 -1.728 -3.427 2.084 1.00 0.00 C ATOM 459 CD2 LEU A 32 0.046 -3.538 0.370 1.00 0.00 C ATOM 0 H LEU A 32 0.719 -7.646 1.656 1.00 0.00 H new ATOM 0 HA LEU A 32 0.616 -5.046 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.245 -6.168 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.743 -6.304 1.377 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.959 -4.390 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.938 -2.421 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.649 -3.878 2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.999 -3.376 2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.234 -2.513 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.848 -3.530 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.388 -4.044 -0.533 1.00 0.00 H new ATOM 471 N ALA A 33 -1.592 -7.194 3.985 1.00 0.00 N ATOM 472 CA ALA A 33 -2.451 -7.524 5.116 1.00 0.00 C ATOM 473 C ALA A 33 -1.698 -7.290 6.422 1.00 0.00 C ATOM 474 O ALA A 33 -2.203 -6.588 7.290 1.00 0.00 O ATOM 475 CB ALA A 33 -2.893 -8.983 5.001 1.00 0.00 C ATOM 0 H ALA A 33 -1.523 -7.954 3.308 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.334 -6.885 5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.536 -9.236 5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.443 -9.124 4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.016 -9.630 5.006 1.00 0.00 H new ATOM 481 N THR A 34 -0.482 -7.830 6.545 1.00 0.00 N ATOM 482 CA THR A 34 0.399 -7.623 7.689 1.00 0.00 C ATOM 483 C THR A 34 0.651 -6.125 7.911 1.00 0.00 C ATOM 484 O THR A 34 0.463 -5.627 9.024 1.00 0.00 O ATOM 485 CB THR A 34 1.691 -8.432 7.469 1.00 0.00 C ATOM 486 OG1 THR A 34 1.365 -9.813 7.399 1.00 0.00 O ATOM 487 CG2 THR A 34 2.731 -8.212 8.572 1.00 0.00 C ATOM 0 H THR A 34 -0.077 -8.437 5.833 1.00 0.00 H new ATOM 0 HA THR A 34 -0.068 -7.984 8.605 1.00 0.00 H new ATOM 0 HB THR A 34 2.137 -8.085 6.537 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.273 -10.080 6.461 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.618 -8.809 8.360 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.004 -7.157 8.610 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.312 -8.513 9.532 1.00 0.00 H new ATOM 495 N LYS A 35 1.023 -5.385 6.863 1.00 0.00 N ATOM 496 CA LYS A 35 1.303 -3.951 6.908 1.00 0.00 C ATOM 497 C LYS A 35 0.125 -3.091 7.364 1.00 0.00 C ATOM 498 O LYS A 35 0.343 -1.925 7.686 1.00 0.00 O ATOM 499 CB LYS A 35 1.766 -3.483 5.524 1.00 0.00 C ATOM 500 CG LYS A 35 3.291 -3.535 5.386 1.00 0.00 C ATOM 501 CD LYS A 35 3.731 -3.160 3.964 1.00 0.00 C ATOM 502 CE LYS A 35 5.151 -2.581 3.941 1.00 0.00 C ATOM 503 NZ LYS A 35 5.176 -1.146 4.293 1.00 0.00 N ATOM 0 H LYS A 35 1.141 -5.782 5.931 1.00 0.00 H new ATOM 0 HA LYS A 35 2.083 -3.818 7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.310 -4.109 4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.420 -2.464 5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.747 -2.853 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.647 -4.536 5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.688 -4.042 3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.035 -2.432 3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.779 -3.135 4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.581 -2.717 2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.162 -0.831 4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.714 -0.596 3.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.670 -1.000 5.189 1.00 0.00 H new ATOM 517 N ILE A 36 -1.104 -3.602 7.370 1.00 0.00 N ATOM 518 CA ILE A 36 -2.268 -2.857 7.842 1.00 0.00 C ATOM 519 C ILE A 36 -3.037 -3.654 8.907 1.00 0.00 C ATOM 520 O ILE A 36 -4.129 -3.263 9.320 1.00 0.00 O ATOM 521 CB ILE A 36 -3.112 -2.395 6.638 1.00 0.00 C ATOM 522 CG1 ILE A 36 -3.882 -3.553 6.003 1.00 0.00 C ATOM 523 CG2 ILE A 36 -2.266 -1.674 5.576 1.00 0.00 C ATOM 524 CD1 ILE A 36 -4.794 -3.100 4.863 1.00 0.00 C ATOM 0 H ILE A 36 -1.321 -4.545 7.047 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.955 -1.948 8.355 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.834 -1.680 7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.174 -4.291 5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.481 -4.048 6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.905 -1.368 4.748 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.799 -0.794 6.019 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.493 -2.348 5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.316 -3.963 4.449 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.522 -2.383 5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.195 -2.630 4.083 1.00 0.00 H new ATOM 536 N ASN A 37 -2.459 -4.759 9.372 1.00 0.00 N ATOM 537 CA ASN A 37 -3.003 -5.648 10.395 1.00 0.00 C ATOM 538 C ASN A 37 -4.418 -6.152 10.040 1.00 0.00 C ATOM 539 O ASN A 37 -5.212 -6.401 10.944 1.00 0.00 O ATOM 540 CB ASN A 37 -2.956 -4.990 11.796 1.00 0.00 C ATOM 541 CG ASN A 37 -1.676 -4.225 12.130 1.00 0.00 C ATOM 542 OD1 ASN A 37 -1.383 -3.194 11.531 1.00 0.00 O ATOM 543 ND2 ASN A 37 -0.908 -4.672 13.108 1.00 0.00 N ATOM 0 H ASN A 37 -1.552 -5.074 9.028 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.362 -6.529 10.427 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.799 -4.305 11.883 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.098 -5.768 12.547 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.066 -4.160 13.370 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.158 -5.529 13.601 1.00 0.00 H new ATOM 550 N GLU A 38 -4.752 -6.308 8.755 1.00 0.00 N ATOM 551 CA GLU A 38 -6.077 -6.713 8.260 1.00 0.00 C ATOM 552 C GLU A 38 -6.064 -8.191 7.852 1.00 0.00 C ATOM 553 O GLU A 38 -5.034 -8.869 7.943 1.00 0.00 O ATOM 554 CB GLU A 38 -6.473 -5.842 7.050 1.00 0.00 C ATOM 555 CG GLU A 38 -7.092 -4.481 7.437 1.00 0.00 C ATOM 556 CD GLU A 38 -8.523 -4.576 7.985 1.00 0.00 C ATOM 557 OE1 GLU A 38 -9.377 -5.216 7.337 1.00 0.00 O ATOM 558 OE2 GLU A 38 -8.818 -3.976 9.048 1.00 0.00 O ATOM 0 H GLU A 38 -4.084 -6.150 8.001 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.806 -6.574 9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.590 -5.667 6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.185 -6.393 6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.458 -4.006 8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.092 -3.832 6.561 1.00 0.00 H new ATOM 565 N LYS A 39 -7.209 -8.717 7.400 1.00 0.00 N ATOM 566 CA LYS A 39 -7.288 -10.066 6.852 1.00 0.00 C ATOM 567 C LYS A 39 -6.723 -10.038 5.423 1.00 0.00 C ATOM 568 O LYS A 39 -7.059 -9.141 4.652 1.00 0.00 O ATOM 569 CB LYS A 39 -8.735 -10.572 6.868 1.00 0.00 C ATOM 570 CG LYS A 39 -9.397 -10.499 8.260 1.00 0.00 C ATOM 571 CD LYS A 39 -10.861 -10.946 8.192 1.00 0.00 C ATOM 572 CE LYS A 39 -11.540 -11.105 9.562 1.00 0.00 C ATOM 573 NZ LYS A 39 -11.615 -9.859 10.360 1.00 0.00 N ATOM 0 H LYS A 39 -8.099 -8.219 7.406 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.702 -10.754 7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.324 -9.986 6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.754 -11.604 6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.851 -11.131 8.960 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.341 -9.479 8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.423 -10.221 7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.914 -11.897 7.661 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.550 -11.486 9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.999 -11.857 10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.086 -10.055 11.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.654 -9.503 10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.157 -9.143 9.836 1.00 0.00 H new ATOM 587 N PRO A 40 -5.912 -11.017 5.008 1.00 0.00 N ATOM 588 CA PRO A 40 -5.403 -11.086 3.646 1.00 0.00 C ATOM 589 C PRO A 40 -6.513 -11.382 2.634 1.00 0.00 C ATOM 590 O PRO A 40 -6.396 -10.996 1.468 1.00 0.00 O ATOM 591 CB PRO A 40 -4.294 -12.138 3.694 1.00 0.00 C ATOM 592 CG PRO A 40 -4.653 -13.035 4.881 1.00 0.00 C ATOM 593 CD PRO A 40 -5.454 -12.126 5.811 1.00 0.00 C ATOM 0 HA PRO A 40 -5.004 -10.134 3.297 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.251 -12.709 2.766 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.316 -11.676 3.830 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.240 -13.897 4.565 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.760 -13.420 5.373 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.296 -12.663 6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.836 -11.777 6.638 1.00 0.00 H new ATOM 601 N GLN A 41 -7.629 -11.974 3.065 1.00 0.00 N ATOM 602 CA GLN A 41 -8.784 -12.158 2.204 1.00 0.00 C ATOM 603 C GLN A 41 -9.339 -10.806 1.735 1.00 0.00 C ATOM 604 O GLN A 41 -9.659 -10.666 0.556 1.00 0.00 O ATOM 605 CB GLN A 41 -9.849 -12.976 2.945 1.00 0.00 C ATOM 606 CG GLN A 41 -10.855 -13.609 1.974 1.00 0.00 C ATOM 607 CD GLN A 41 -10.253 -14.745 1.141 1.00 0.00 C ATOM 608 OE1 GLN A 41 -9.511 -15.579 1.652 1.00 0.00 O ATOM 609 NE2 GLN A 41 -10.555 -14.836 -0.142 1.00 0.00 N ATOM 0 H GLN A 41 -7.751 -12.334 4.012 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.482 -12.707 1.312 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.365 -13.759 3.530 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.378 -12.333 3.649 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.705 -13.992 2.539 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.238 -12.839 1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.171 -14.146 -0.571 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.172 -15.597 -0.703 1.00 0.00 H new ATOM 618 N VAL A 42 -9.446 -9.806 2.619 1.00 0.00 N ATOM 619 CA VAL A 42 -10.039 -8.533 2.218 1.00 0.00 C ATOM 620 C VAL A 42 -9.073 -7.740 1.329 1.00 0.00 C ATOM 621 O VAL A 42 -9.535 -7.029 0.442 1.00 0.00 O ATOM 622 CB VAL A 42 -10.618 -7.739 3.410 1.00 0.00 C ATOM 623 CG1 VAL A 42 -11.538 -8.615 4.277 1.00 0.00 C ATOM 624 CG2 VAL A 42 -9.586 -7.111 4.343 1.00 0.00 C ATOM 0 H VAL A 42 -9.138 -9.853 3.590 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.913 -8.744 1.601 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.163 -6.930 2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.927 -8.024 5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.367 -8.982 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.972 -9.461 4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.097 -6.578 5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.958 -7.893 4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.965 -6.413 3.781 1.00 0.00 H new ATOM 634 N ILE A 43 -7.751 -7.919 1.473 1.00 0.00 N ATOM 635 CA ILE A 43 -6.760 -7.380 0.535 1.00 0.00 C ATOM 636 C ILE A 43 -7.059 -7.883 -0.874 1.00 0.00 C ATOM 637 O ILE A 43 -7.093 -7.086 -1.817 1.00 0.00 O ATOM 638 CB ILE A 43 -5.327 -7.761 0.975 1.00 0.00 C ATOM 639 CG1 ILE A 43 -4.943 -7.103 2.307 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.257 -7.485 -0.099 1.00 0.00 C ATOM 641 CD1 ILE A 43 -4.942 -5.574 2.282 1.00 0.00 C ATOM 0 H ILE A 43 -7.340 -8.443 2.246 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.823 -6.292 0.535 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.350 -8.841 1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.636 -7.441 3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.951 -7.450 2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.277 -7.777 0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.485 -8.060 -0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.251 -6.422 -0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.660 -5.194 3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.227 -5.223 1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.938 -5.214 2.027 1.00 0.00 H new ATOM 653 N ALA A 44 -7.283 -9.192 -1.009 1.00 0.00 N ATOM 654 CA ALA A 44 -7.587 -9.793 -2.296 1.00 0.00 C ATOM 655 C ALA A 44 -8.822 -9.154 -2.925 1.00 0.00 C ATOM 656 O ALA A 44 -8.888 -9.005 -4.147 1.00 0.00 O ATOM 657 CB ALA A 44 -7.769 -11.306 -2.147 1.00 0.00 C ATOM 0 H ALA A 44 -7.258 -9.854 -0.233 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.746 -9.611 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.996 -11.743 -3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.851 -11.746 -1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.589 -11.508 -1.458 1.00 0.00 H new ATOM 663 N ASP A 45 -9.799 -8.781 -2.104 1.00 0.00 N ATOM 664 CA ASP A 45 -11.056 -8.202 -2.559 1.00 0.00 C ATOM 665 C ASP A 45 -10.952 -6.708 -2.815 1.00 0.00 C ATOM 666 O ASP A 45 -11.719 -6.191 -3.627 1.00 0.00 O ATOM 667 CB ASP A 45 -12.163 -8.509 -1.548 1.00 0.00 C ATOM 668 CG ASP A 45 -12.822 -9.842 -1.867 1.00 0.00 C ATOM 669 OD1 ASP A 45 -12.150 -10.751 -2.407 1.00 0.00 O ATOM 670 OD2 ASP A 45 -14.022 -10.004 -1.548 1.00 0.00 O ATOM 0 H ASP A 45 -9.738 -8.874 -1.090 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.303 -8.661 -3.516 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.747 -8.534 -0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.909 -7.715 -1.565 1.00 0.00 H new ATOM 675 N TYR A 46 -9.994 -6.014 -2.200 1.00 0.00 N ATOM 676 CA TYR A 46 -9.627 -4.662 -2.593 1.00 0.00 C ATOM 677 C TYR A 46 -9.097 -4.665 -4.034 1.00 0.00 C ATOM 678 O TYR A 46 -9.364 -3.710 -4.761 1.00 0.00 O ATOM 679 CB TYR A 46 -8.581 -4.073 -1.631 1.00 0.00 C ATOM 680 CG TYR A 46 -9.076 -3.112 -0.561 1.00 0.00 C ATOM 681 CD1 TYR A 46 -9.587 -3.599 0.656 1.00 0.00 C ATOM 682 CD2 TYR A 46 -8.932 -1.722 -0.738 1.00 0.00 C ATOM 683 CE1 TYR A 46 -9.921 -2.716 1.697 1.00 0.00 C ATOM 684 CE2 TYR A 46 -9.252 -0.828 0.299 1.00 0.00 C ATOM 685 CZ TYR A 46 -9.742 -1.325 1.524 1.00 0.00 C ATOM 686 OH TYR A 46 -10.006 -0.453 2.536 1.00 0.00 O ATOM 0 H TYR A 46 -9.453 -6.378 -1.415 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.515 -4.032 -2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.078 -4.901 -1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.829 -3.555 -2.227 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.724 -4.662 0.792 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.572 -1.339 -1.681 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.314 -3.100 2.627 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.123 0.235 0.158 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.825 0.462 2.235 1.00 0.00 H new ATOM 696 N GLU A 47 -8.371 -5.707 -4.464 1.00 0.00 N ATOM 697 CA GLU A 47 -7.915 -5.816 -5.852 1.00 0.00 C ATOM 698 C GLU A 47 -9.082 -6.099 -6.811 1.00 0.00 C ATOM 699 O GLU A 47 -9.082 -5.578 -7.929 1.00 0.00 O ATOM 700 CB GLU A 47 -6.809 -6.881 -6.002 1.00 0.00 C ATOM 701 CG GLU A 47 -5.416 -6.252 -5.847 1.00 0.00 C ATOM 702 CD GLU A 47 -4.262 -7.244 -6.058 1.00 0.00 C ATOM 703 OE1 GLU A 47 -4.325 -8.164 -6.909 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.291 -7.166 -5.272 1.00 0.00 O ATOM 0 H GLU A 47 -8.088 -6.485 -3.868 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.488 -4.851 -6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.946 -7.661 -5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.890 -7.359 -6.978 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.315 -5.434 -6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.332 -5.818 -4.851 1.00 0.00 H new ATOM 711 N SER A 48 -10.070 -6.902 -6.392 1.00 0.00 N ATOM 712 CA SER A 48 -11.293 -7.131 -7.169 1.00 0.00 C ATOM 713 C SER A 48 -12.149 -5.862 -7.275 1.00 0.00 C ATOM 714 O SER A 48 -12.883 -5.673 -8.245 1.00 0.00 O ATOM 715 CB SER A 48 -12.146 -8.214 -6.501 1.00 0.00 C ATOM 716 OG SER A 48 -11.387 -9.340 -6.103 1.00 0.00 O ATOM 0 H SER A 48 -10.043 -7.409 -5.507 1.00 0.00 H new ATOM 0 HA SER A 48 -10.980 -7.438 -8.167 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.645 -7.791 -5.629 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.927 -8.533 -7.192 1.00 0.00 H new ATOM 0 HG SER A 48 -11.977 -10.000 -5.682 1.00 0.00 H new ATOM 722 N GLY A 49 -12.110 -5.027 -6.235 1.00 0.00 N ATOM 723 CA GLY A 49 -12.963 -3.858 -6.075 1.00 0.00 C ATOM 724 C GLY A 49 -14.171 -4.134 -5.188 1.00 0.00 C ATOM 725 O GLY A 49 -15.069 -3.304 -5.094 1.00 0.00 O ATOM 0 H GLY A 49 -11.461 -5.154 -5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.380 -3.043 -5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.304 -3.525 -7.055 1.00 0.00 H new ATOM 729 N ARG A 50 -14.225 -5.309 -4.565 1.00 0.00 N ATOM 730 CA ARG A 50 -15.350 -5.810 -3.792 1.00 0.00 C ATOM 731 C ARG A 50 -15.383 -5.174 -2.411 1.00 0.00 C ATOM 732 O ARG A 50 -16.415 -4.608 -2.039 1.00 0.00 O ATOM 733 CB ARG A 50 -15.218 -7.338 -3.702 1.00 0.00 C ATOM 734 CG ARG A 50 -15.615 -8.010 -5.022 1.00 0.00 C ATOM 735 CD ARG A 50 -17.065 -8.498 -4.936 1.00 0.00 C ATOM 736 NE ARG A 50 -17.546 -9.017 -6.222 1.00 0.00 N ATOM 737 CZ ARG A 50 -18.604 -9.806 -6.411 1.00 0.00 C ATOM 738 NH1 ARG A 50 -19.324 -10.272 -5.392 1.00 0.00 N ATOM 739 NH2 ARG A 50 -18.922 -10.158 -7.646 1.00 0.00 N ATOM 0 H ARG A 50 -13.446 -5.967 -4.589 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.289 -5.550 -4.280 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.191 -7.602 -3.451 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -15.849 -7.713 -2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.506 -7.306 -5.847 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.950 -8.849 -5.229 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -17.141 -9.278 -4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -17.706 -7.677 -4.613 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.019 -8.748 -7.053 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -19.071 -10.027 -4.435 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -20.128 -10.874 -5.569 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.362 -9.826 -8.431 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.728 -10.761 -7.813 1.00 0.00 H new ATOM 753 N ALA A 51 -14.293 -5.318 -1.650 1.00 0.00 N ATOM 754 CA ALA A 51 -14.219 -4.852 -0.271 1.00 0.00 C ATOM 755 C ALA A 51 -14.441 -3.342 -0.242 1.00 0.00 C ATOM 756 O ALA A 51 -14.014 -2.642 -1.165 1.00 0.00 O ATOM 757 CB ALA A 51 -12.856 -5.211 0.332 1.00 0.00 C ATOM 0 H ALA A 51 -13.437 -5.764 -1.979 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.992 -5.338 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.810 -4.859 1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.723 -6.293 0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.065 -4.737 -0.249 1.00 0.00 H new ATOM 763 N ILE A 52 -15.064 -2.834 0.822 1.00 0.00 N ATOM 764 CA ILE A 52 -15.359 -1.412 0.931 1.00 0.00 C ATOM 765 C ILE A 52 -14.030 -0.677 1.102 1.00 0.00 C ATOM 766 O ILE A 52 -13.309 -0.957 2.067 1.00 0.00 O ATOM 767 CB ILE A 52 -16.312 -1.121 2.106 1.00 0.00 C ATOM 768 CG1 ILE A 52 -17.698 -1.755 1.871 1.00 0.00 C ATOM 769 CG2 ILE A 52 -16.449 0.395 2.356 1.00 0.00 C ATOM 770 CD1 ILE A 52 -18.516 -1.088 0.758 1.00 0.00 C ATOM 0 H ILE A 52 -15.373 -3.390 1.619 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.869 -1.067 0.032 1.00 0.00 H new ATOM 0 HB ILE A 52 -15.876 -1.574 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.566 -2.809 1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -18.267 -1.712 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -17.128 0.566 3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -15.471 0.815 2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -16.845 0.877 1.462 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.476 -1.595 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.683 -0.040 1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -17.971 -1.155 -0.184 1.00 0.00 H new ATOM 782 N PRO A 53 -13.685 0.271 0.219 1.00 0.00 N ATOM 783 CA PRO A 53 -12.537 1.116 0.450 1.00 0.00 C ATOM 784 C PRO A 53 -12.939 2.085 1.565 1.00 0.00 C ATOM 785 O PRO A 53 -13.777 2.963 1.360 1.00 0.00 O ATOM 786 CB PRO A 53 -12.287 1.782 -0.907 1.00 0.00 C ATOM 787 CG PRO A 53 -13.670 1.862 -1.557 1.00 0.00 C ATOM 788 CD PRO A 53 -14.463 0.724 -0.922 1.00 0.00 C ATOM 0 HA PRO A 53 -11.621 0.622 0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.847 2.772 -0.788 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.596 1.197 -1.515 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -14.141 2.827 -1.368 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.606 1.745 -2.639 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.450 1.065 -0.609 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.617 -0.087 -1.634 1.00 0.00 H new ATOM 796 N ASN A 54 -12.310 1.971 2.735 1.00 0.00 N ATOM 797 CA ASN A 54 -12.722 2.713 3.924 1.00 0.00 C ATOM 798 C ASN A 54 -11.542 3.490 4.477 1.00 0.00 C ATOM 799 O ASN A 54 -10.437 2.950 4.508 1.00 0.00 O ATOM 800 CB ASN A 54 -13.265 1.765 4.999 1.00 0.00 C ATOM 801 CG ASN A 54 -13.912 2.598 6.090 1.00 0.00 C ATOM 802 OD1 ASN A 54 -14.792 3.401 5.801 1.00 0.00 O ATOM 803 ND2 ASN A 54 -13.504 2.469 7.336 1.00 0.00 N ATOM 0 H ASN A 54 -11.504 1.364 2.884 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.516 3.404 3.641 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.991 1.077 4.566 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.459 1.159 5.412 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.921 3.040 8.071 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.771 1.798 7.566 1.00 0.00 H new ATOM 810 N ASN A 55 -11.758 4.733 4.911 1.00 0.00 N ATOM 811 CA ASN A 55 -10.711 5.717 5.197 1.00 0.00 C ATOM 812 C ASN A 55 -9.638 5.187 6.137 1.00 0.00 C ATOM 813 O ASN A 55 -8.453 5.384 5.863 1.00 0.00 O ATOM 814 CB ASN A 55 -11.306 7.007 5.788 1.00 0.00 C ATOM 815 CG ASN A 55 -11.510 8.070 4.722 1.00 0.00 C ATOM 816 OD1 ASN A 55 -10.751 9.032 4.658 1.00 0.00 O ATOM 817 ND2 ASN A 55 -12.504 7.923 3.867 1.00 0.00 N ATOM 0 H ASN A 55 -12.697 5.095 5.079 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.240 5.933 4.238 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.260 6.783 6.266 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.644 7.391 6.564 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -12.653 8.617 3.134 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -13.123 7.115 3.939 1.00 0.00 H new ATOM 824 N GLN A 56 -10.032 4.533 7.237 1.00 0.00 N ATOM 825 CA GLN A 56 -9.074 4.016 8.209 1.00 0.00 C ATOM 826 C GLN A 56 -8.071 3.097 7.503 1.00 0.00 C ATOM 827 O GLN A 56 -6.864 3.247 7.684 1.00 0.00 O ATOM 828 CB GLN A 56 -9.800 3.269 9.344 1.00 0.00 C ATOM 829 CG GLN A 56 -8.819 2.839 10.451 1.00 0.00 C ATOM 830 CD GLN A 56 -9.355 1.704 11.314 1.00 0.00 C ATOM 831 OE1 GLN A 56 -9.549 0.589 10.835 1.00 0.00 O ATOM 832 NE2 GLN A 56 -9.590 1.941 12.594 1.00 0.00 N ATOM 0 H GLN A 56 -11.008 4.352 7.472 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.533 4.851 8.655 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.572 3.911 9.769 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.303 2.390 8.940 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.879 2.528 9.995 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.597 3.697 11.086 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.425 2.871 12.979 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.936 1.194 13.196 1.00 0.00 H new ATOM 841 N VAL A 57 -8.574 2.135 6.731 1.00 0.00 N ATOM 842 CA VAL A 57 -7.788 1.108 6.068 1.00 0.00 C ATOM 843 C VAL A 57 -7.049 1.709 4.874 1.00 0.00 C ATOM 844 O VAL A 57 -5.849 1.490 4.764 1.00 0.00 O ATOM 845 CB VAL A 57 -8.716 -0.051 5.668 1.00 0.00 C ATOM 846 CG1 VAL A 57 -7.949 -1.151 4.935 1.00 0.00 C ATOM 847 CG2 VAL A 57 -9.370 -0.678 6.909 1.00 0.00 C ATOM 0 H VAL A 57 -9.574 2.051 6.547 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.029 0.710 6.741 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.477 0.368 5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.634 -1.955 4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.499 -0.740 4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.166 -1.543 5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.022 -1.496 6.603 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.596 -1.061 7.574 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.956 0.077 7.432 1.00 0.00 H new ATOM 857 N LEU A 58 -7.724 2.481 4.011 1.00 0.00 N ATOM 858 CA LEU A 58 -7.131 3.201 2.884 1.00 0.00 C ATOM 859 C LEU A 58 -5.855 3.908 3.319 1.00 0.00 C ATOM 860 O LEU A 58 -4.819 3.724 2.692 1.00 0.00 O ATOM 861 CB LEU A 58 -8.118 4.233 2.308 1.00 0.00 C ATOM 862 CG LEU A 58 -9.234 3.640 1.433 1.00 0.00 C ATOM 863 CD1 LEU A 58 -10.322 4.698 1.224 1.00 0.00 C ATOM 864 CD2 LEU A 58 -8.705 3.201 0.065 1.00 0.00 C ATOM 0 H LEU A 58 -8.731 2.624 4.084 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.895 2.471 2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.574 4.778 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.559 4.959 1.717 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.635 2.764 1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.117 4.284 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.732 4.994 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.892 5.569 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.522 2.787 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.281 4.061 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.934 2.442 0.199 1.00 0.00 H new ATOM 876 N GLY A 59 -5.907 4.658 4.422 1.00 0.00 N ATOM 877 CA GLY A 59 -4.751 5.334 4.993 1.00 0.00 C ATOM 878 C GLY A 59 -3.585 4.394 5.275 1.00 0.00 C ATOM 879 O GLY A 59 -2.431 4.703 4.984 1.00 0.00 O ATOM 0 H GLY A 59 -6.768 4.812 4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.421 6.116 4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.046 5.825 5.920 1.00 0.00 H new ATOM 883 N LYS A 60 -3.874 3.232 5.857 1.00 0.00 N ATOM 884 CA LYS A 60 -2.860 2.248 6.211 1.00 0.00 C ATOM 885 C LYS A 60 -2.275 1.656 4.939 1.00 0.00 C ATOM 886 O LYS A 60 -1.077 1.400 4.906 1.00 0.00 O ATOM 887 CB LYS A 60 -3.477 1.144 7.074 1.00 0.00 C ATOM 888 CG LYS A 60 -4.118 1.667 8.362 1.00 0.00 C ATOM 889 CD LYS A 60 -5.217 0.733 8.866 1.00 0.00 C ATOM 890 CE LYS A 60 -4.801 -0.516 9.601 1.00 0.00 C ATOM 891 NZ LYS A 60 -4.397 -0.303 11.006 1.00 0.00 N ATOM 0 H LYS A 60 -4.824 2.948 6.096 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.068 2.730 6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.231 0.615 6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.705 0.418 7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.353 1.777 9.131 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.536 2.658 8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.868 1.308 9.525 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.818 0.431 8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.628 -1.226 9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.971 -0.977 9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.128 -1.213 11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.587 0.348 11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.192 0.106 11.538 1.00 0.00 H new ATOM 905 N ILE A 61 -3.096 1.424 3.912 1.00 0.00 N ATOM 906 CA ILE A 61 -2.645 0.970 2.597 1.00 0.00 C ATOM 907 C ILE A 61 -1.730 2.026 1.980 1.00 0.00 C ATOM 908 O ILE A 61 -0.717 1.657 1.387 1.00 0.00 O ATOM 909 CB ILE A 61 -3.824 0.611 1.665 1.00 0.00 C ATOM 910 CG1 ILE A 61 -4.610 -0.581 2.240 1.00 0.00 C ATOM 911 CG2 ILE A 61 -3.341 0.262 0.239 1.00 0.00 C ATOM 912 CD1 ILE A 61 -5.784 -0.978 1.349 1.00 0.00 C ATOM 0 H ILE A 61 -4.107 1.548 3.973 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.079 0.048 2.726 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.469 1.488 1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.941 -1.433 2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.979 -0.326 3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.199 0.015 -0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.816 1.117 -0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.666 -0.593 0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.309 -1.823 1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.469 -0.135 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.414 -1.260 0.363 1.00 0.00 H new ATOM 924 N GLU A 62 -2.025 3.321 2.123 1.00 0.00 N ATOM 925 CA GLU A 62 -1.100 4.324 1.600 1.00 0.00 C ATOM 926 C GLU A 62 0.257 4.153 2.267 1.00 0.00 C ATOM 927 O GLU A 62 1.274 4.052 1.593 1.00 0.00 O ATOM 928 CB GLU A 62 -1.530 5.784 1.816 1.00 0.00 C ATOM 929 CG GLU A 62 -2.949 6.122 1.386 1.00 0.00 C ATOM 930 CD GLU A 62 -3.153 7.620 1.205 1.00 0.00 C ATOM 931 OE1 GLU A 62 -2.691 8.386 2.074 1.00 0.00 O ATOM 932 OE2 GLU A 62 -3.807 8.049 0.225 1.00 0.00 O ATOM 0 H GLU A 62 -2.862 3.687 2.577 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.076 4.151 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.424 6.022 2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.841 6.431 1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.175 5.610 0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.651 5.749 2.131 1.00 0.00 H new ATOM 939 N ARG A 63 0.268 4.054 3.599 1.00 0.00 N ATOM 940 CA ARG A 63 1.481 3.812 4.377 1.00 0.00 C ATOM 941 C ARG A 63 2.106 2.445 4.075 1.00 0.00 C ATOM 942 O ARG A 63 3.286 2.246 4.363 1.00 0.00 O ATOM 943 CB ARG A 63 1.167 4.008 5.869 1.00 0.00 C ATOM 944 CG ARG A 63 0.795 5.473 6.107 1.00 0.00 C ATOM 945 CD ARG A 63 0.884 5.882 7.576 1.00 0.00 C ATOM 946 NE ARG A 63 -0.360 5.649 8.334 1.00 0.00 N ATOM 947 CZ ARG A 63 -0.578 4.682 9.238 1.00 0.00 C ATOM 948 NH1 ARG A 63 0.287 3.686 9.390 1.00 0.00 N ATOM 949 NH2 ARG A 63 -1.674 4.724 9.992 1.00 0.00 N ATOM 0 H ARG A 63 -0.573 4.141 4.170 1.00 0.00 H new ATOM 0 HA ARG A 63 2.240 4.537 4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.347 3.357 6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.031 3.735 6.475 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.455 6.110 5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.219 5.647 5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.696 5.330 8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.142 6.939 7.634 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.134 6.289 8.152 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.129 3.650 8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.109 2.957 10.081 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.341 5.488 9.880 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.847 3.993 10.682 1.00 0.00 H new ATOM 963 N ALA A 64 1.347 1.516 3.491 1.00 0.00 N ATOM 964 CA ALA A 64 1.795 0.178 3.147 1.00 0.00 C ATOM 965 C ALA A 64 2.710 0.233 1.924 1.00 0.00 C ATOM 966 O ALA A 64 3.837 -0.261 1.993 1.00 0.00 O ATOM 967 CB ALA A 64 0.599 -0.758 2.892 1.00 0.00 C ATOM 0 H ALA A 64 0.373 1.686 3.239 1.00 0.00 H new ATOM 0 HA ALA A 64 2.357 -0.226 3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.964 -1.753 2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.015 -0.816 3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.001 -0.368 2.068 1.00 0.00 H new ATOM 973 N ILE A 65 2.234 0.807 0.816 1.00 0.00 N ATOM 974 CA ILE A 65 2.980 0.853 -0.447 1.00 0.00 C ATOM 975 C ILE A 65 3.817 2.147 -0.541 1.00 0.00 C ATOM 976 O ILE A 65 4.839 2.172 -1.216 1.00 0.00 O ATOM 977 CB ILE A 65 2.031 0.655 -1.653 1.00 0.00 C ATOM 978 CG1 ILE A 65 1.006 1.797 -1.828 1.00 0.00 C ATOM 979 CG2 ILE A 65 1.332 -0.712 -1.529 1.00 0.00 C ATOM 980 CD1 ILE A 65 -0.021 1.559 -2.942 1.00 0.00 C ATOM 0 H ILE A 65 1.319 1.254 0.768 1.00 0.00 H new ATOM 0 HA ILE A 65 3.688 0.024 -0.472 1.00 0.00 H new ATOM 0 HB ILE A 65 2.641 0.679 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.476 1.941 -0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.543 2.722 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.662 -0.856 -2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.081 -1.504 -1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.758 -0.744 -0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.702 2.408 -2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.496 1.446 -3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.588 0.653 -2.727 1.00 0.00 H new ATOM 992 N GLY A 66 3.435 3.211 0.168 1.00 0.00 N ATOM 993 CA GLY A 66 4.054 4.531 0.107 1.00 0.00 C ATOM 994 C GLY A 66 3.582 5.344 -1.092 1.00 0.00 C ATOM 995 O GLY A 66 4.341 6.181 -1.589 1.00 0.00 O ATOM 0 H GLY A 66 2.656 3.172 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.828 5.077 1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.137 4.419 0.062 1.00 0.00 H new ATOM 999 N LEU A 67 2.323 5.156 -1.510 1.00 0.00 N ATOM 1000 CA LEU A 67 1.648 5.902 -2.571 1.00 0.00 C ATOM 1001 C LEU A 67 0.230 6.267 -2.107 1.00 0.00 C ATOM 1002 O LEU A 67 -0.264 5.678 -1.149 1.00 0.00 O ATOM 1003 CB LEU A 67 1.540 5.070 -3.866 1.00 0.00 C ATOM 1004 CG LEU A 67 2.804 4.362 -4.394 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.380 3.451 -5.550 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.890 5.327 -4.886 1.00 0.00 C ATOM 0 H LEU A 67 1.722 4.444 -1.095 1.00 0.00 H new ATOM 0 HA LEU A 67 2.234 6.797 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.776 4.309 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.176 5.729 -4.654 1.00 0.00 H new ATOM 0 HG LEU A 67 3.243 3.805 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.255 2.935 -5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.658 2.718 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.925 4.051 -6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.748 4.758 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.495 5.935 -5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.200 5.975 -4.066 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.430 7.221 -2.770 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.784 7.682 -2.463 1.00 0.00 C ATOM 1020 C LYS A 68 -2.817 6.664 -2.920 1.00 0.00 C ATOM 1021 O LYS A 68 -2.678 6.092 -4.001 1.00 0.00 O ATOM 1022 CB LYS A 68 -2.068 9.028 -3.159 1.00 0.00 C ATOM 1023 CG LYS A 68 -1.564 10.208 -2.320 1.00 0.00 C ATOM 1024 CD LYS A 68 -2.122 11.552 -2.810 1.00 0.00 C ATOM 1025 CE LYS A 68 -1.860 12.603 -1.727 1.00 0.00 C ATOM 1026 NZ LYS A 68 -2.397 13.935 -2.062 1.00 0.00 N ATOM 0 H LYS A 68 -0.019 7.711 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.854 7.807 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.586 9.043 -4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.139 9.132 -3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.847 10.058 -1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.475 10.236 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.645 11.843 -3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.190 11.470 -3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.303 12.266 -0.790 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.786 12.684 -1.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.186 14.599 -1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.957 14.276 -2.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.427 13.871 -2.193 1.00 0.00 H new ATOM 1040 N LEU A 69 -3.900 6.527 -2.151 1.00 0.00 N ATOM 1041 CA LEU A 69 -5.084 5.702 -2.420 1.00 0.00 C ATOM 1042 C LEU A 69 -6.335 6.608 -2.510 1.00 0.00 C ATOM 1043 O LEU A 69 -7.470 6.133 -2.400 1.00 0.00 O ATOM 1044 CB LEU A 69 -5.238 4.591 -1.358 1.00 0.00 C ATOM 1045 CG LEU A 69 -4.293 3.372 -1.465 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.752 2.396 -2.545 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.820 3.632 -1.778 1.00 0.00 C ATOM 0 H LEU A 69 -3.980 7.023 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.964 5.197 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.097 5.042 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.265 4.227 -1.397 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.356 2.987 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.063 1.553 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.753 2.035 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.769 2.903 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.284 2.684 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.736 4.140 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.387 4.258 -0.998 1.00 0.00 H new ATOM 1059 N ARG A 70 -6.144 7.922 -2.689 1.00 0.00 N ATOM 1060 CA ARG A 70 -7.178 8.953 -2.760 1.00 0.00 C ATOM 1061 C ARG A 70 -6.867 9.906 -3.910 1.00 0.00 C ATOM 1062 O ARG A 70 -5.724 9.990 -4.361 1.00 0.00 O ATOM 1063 CB ARG A 70 -7.181 9.762 -1.448 1.00 0.00 C ATOM 1064 CG ARG A 70 -7.819 9.046 -0.253 1.00 0.00 C ATOM 1065 CD ARG A 70 -9.352 8.956 -0.319 1.00 0.00 C ATOM 1066 NE ARG A 70 -10.001 10.279 -0.262 1.00 0.00 N ATOM 1067 CZ ARG A 70 -11.233 10.545 0.188 1.00 0.00 C ATOM 1068 NH1 ARG A 70 -12.076 9.576 0.535 1.00 0.00 N ATOM 1069 NH2 ARG A 70 -11.627 11.807 0.283 1.00 0.00 N ATOM 0 H ARG A 70 -5.208 8.312 -2.794 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.147 8.479 -2.916 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.153 10.018 -1.193 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.711 10.700 -1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.409 8.038 -0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.536 9.566 0.662 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.643 8.452 -1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.712 8.343 0.507 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.455 11.072 -0.600 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.789 8.600 0.461 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.009 9.809 0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.994 12.560 0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.563 12.025 0.624 1.00 0.00 H new ATOM 1083 N GLY A 71 -7.879 10.683 -4.302 1.00 0.00 N ATOM 1084 CA GLY A 71 -7.793 11.708 -5.329 1.00 0.00 C ATOM 1085 C GLY A 71 -7.540 11.115 -6.713 1.00 0.00 C ATOM 1086 O GLY A 71 -7.367 9.908 -6.880 1.00 0.00 O ATOM 0 H GLY A 71 -8.811 10.608 -3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.719 12.283 -5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.991 12.403 -5.081 1.00 0.00 H new ATOM 1090 N LYS A 72 -7.504 11.971 -7.735 1.00 0.00 N ATOM 1091 CA LYS A 72 -7.026 11.579 -9.064 1.00 0.00 C ATOM 1092 C LYS A 72 -5.500 11.405 -9.075 1.00 0.00 C ATOM 1093 O LYS A 72 -4.964 10.881 -10.049 1.00 0.00 O ATOM 1094 CB LYS A 72 -7.475 12.621 -10.105 1.00 0.00 C ATOM 1095 CG LYS A 72 -8.223 12.040 -11.308 1.00 0.00 C ATOM 1096 CD LYS A 72 -9.602 11.468 -10.950 1.00 0.00 C ATOM 1097 CE LYS A 72 -10.457 11.392 -12.222 1.00 0.00 C ATOM 1098 NZ LYS A 72 -11.833 10.925 -11.973 1.00 0.00 N ATOM 0 H LYS A 72 -7.801 12.944 -7.668 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.462 10.614 -9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.117 13.353 -9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.597 13.158 -10.465 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.345 12.818 -12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.617 11.253 -11.758 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.495 10.477 -10.508 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.089 12.098 -10.206 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.494 12.378 -12.686 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.977 10.722 -12.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.358 10.896 -12.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.806 9.972 -11.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.307 11.577 -11.316 1.00 0.00 H new ATOM 1112 N ASP A 73 -4.812 11.817 -8.004 1.00 0.00 N ATOM 1113 CA ASP A 73 -3.384 11.594 -7.766 1.00 0.00 C ATOM 1114 C ASP A 73 -3.111 10.173 -7.260 1.00 0.00 C ATOM 1115 O ASP A 73 -2.015 9.909 -6.765 1.00 0.00 O ATOM 1116 CB ASP A 73 -2.834 12.617 -6.748 1.00 0.00 C ATOM 1117 CG ASP A 73 -2.607 13.994 -7.347 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -1.932 14.105 -8.397 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -3.039 15.000 -6.747 1.00 0.00 O ATOM 0 H ASP A 73 -5.256 12.337 -7.247 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.875 11.724 -8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.531 12.701 -5.914 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.894 12.245 -6.341 1.00 0.00 H new ATOM 1124 N ILE A 74 -4.078 9.251 -7.318 1.00 0.00 N ATOM 1125 CA ILE A 74 -3.864 7.900 -6.841 1.00 0.00 C ATOM 1126 C ILE A 74 -2.623 7.282 -7.500 1.00 0.00 C ATOM 1127 O ILE A 74 -2.385 7.485 -8.695 1.00 0.00 O ATOM 1128 CB ILE A 74 -5.156 7.087 -7.037 1.00 0.00 C ATOM 1129 CG1 ILE A 74 -5.234 6.068 -5.905 1.00 0.00 C ATOM 1130 CG2 ILE A 74 -5.316 6.547 -8.463 1.00 0.00 C ATOM 1131 CD1 ILE A 74 -6.527 5.262 -5.840 1.00 0.00 C ATOM 0 H ILE A 74 -5.011 9.425 -7.691 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.648 7.898 -5.773 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.039 7.722 -6.959 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.398 5.375 -6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.104 6.591 -4.958 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.246 5.983 -8.536 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.340 7.379 -9.167 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.476 5.894 -8.701 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.481 4.567 -5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.371 5.938 -5.705 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.655 4.703 -6.767 1.00 0.00 H new ATOM 1143 N GLY A 75 -1.835 6.540 -6.727 1.00 0.00 N ATOM 1144 CA GLY A 75 -0.595 5.958 -7.203 1.00 0.00 C ATOM 1145 C GLY A 75 0.585 6.936 -7.230 1.00 0.00 C ATOM 1146 O GLY A 75 1.716 6.467 -7.376 1.00 0.00 O ATOM 0 H GLY A 75 -2.044 6.328 -5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.336 5.111 -6.568 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.752 5.567 -8.208 1.00 0.00 H new ATOM 1150 N LYS A 76 0.387 8.253 -7.045 1.00 0.00 N ATOM 1151 CA LYS A 76 1.486 9.174 -6.772 1.00 0.00 C ATOM 1152 C LYS A 76 2.062 8.820 -5.398 1.00 0.00 C ATOM 1153 O LYS A 76 1.319 8.357 -4.537 1.00 0.00 O ATOM 1154 CB LYS A 76 1.016 10.639 -6.739 1.00 0.00 C ATOM 1155 CG LYS A 76 0.484 11.160 -8.078 1.00 0.00 C ATOM 1156 CD LYS A 76 1.517 11.895 -8.925 1.00 0.00 C ATOM 1157 CE LYS A 76 0.959 12.091 -10.340 1.00 0.00 C ATOM 1158 NZ LYS A 76 1.972 12.595 -11.289 1.00 0.00 N ATOM 0 H LYS A 76 -0.530 8.697 -7.081 1.00 0.00 H new ATOM 0 HA LYS A 76 2.226 9.077 -7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.234 10.741 -5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.848 11.268 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.094 10.319 -8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.354 11.831 -7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.753 12.860 -8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.446 11.326 -8.963 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.566 11.142 -10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.123 12.790 -10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.541 12.709 -12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.330 13.514 -10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.759 11.918 -11.349 1.00 0.00 H new ATOM 1172 N PRO A 77 3.349 9.075 -5.144 1.00 0.00 N ATOM 1173 CA PRO A 77 3.977 8.860 -3.845 1.00 0.00 C ATOM 1174 C PRO A 77 3.291 9.649 -2.722 1.00 0.00 C ATOM 1175 O PRO A 77 2.676 10.690 -2.986 1.00 0.00 O ATOM 1176 CB PRO A 77 5.439 9.281 -4.021 1.00 0.00 C ATOM 1177 CG PRO A 77 5.664 9.422 -5.531 1.00 0.00 C ATOM 1178 CD PRO A 77 4.270 9.552 -6.145 1.00 0.00 C ATOM 0 HA PRO A 77 3.891 7.817 -3.540 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.638 10.222 -3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.112 8.537 -3.595 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.274 10.297 -5.756 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.189 8.555 -5.932 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.056 10.587 -6.411 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.190 8.965 -7.060 1.00 0.00 H new ATOM 1186 N ILE A 78 3.467 9.235 -1.465 1.00 0.00 N ATOM 1187 CA ILE A 78 3.130 10.048 -0.293 1.00 0.00 C ATOM 1188 C ILE A 78 4.423 10.644 0.270 1.00 0.00 C ATOM 1189 O ILE A 78 5.456 9.974 0.269 1.00 0.00 O ATOM 1190 CB ILE A 78 2.305 9.260 0.758 1.00 0.00 C ATOM 1191 CG1 ILE A 78 2.929 7.926 1.209 1.00 0.00 C ATOM 1192 CG2 ILE A 78 0.922 8.957 0.170 1.00 0.00 C ATOM 1193 CD1 ILE A 78 2.298 7.316 2.472 1.00 0.00 C ATOM 0 H ILE A 78 3.850 8.319 -1.230 1.00 0.00 H new ATOM 0 HA ILE A 78 2.472 10.864 -0.591 1.00 0.00 H new ATOM 0 HB ILE A 78 2.265 9.898 1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.845 7.207 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.993 8.081 1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.330 8.403 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.417 9.892 -0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.034 8.360 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.801 6.380 2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.406 8.011 3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.240 7.124 2.294 1.00 0.00 H new