USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 637 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 14 HIS : no HD1:sc= -9.67! C(o=-11!,f=-15!) USER MOD Set 1.2: A 16 SER OG : rot -153:sc= -1.24 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.756 K(o=-0.76,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -3.38! C(o=-3.4!,f=-1.6!) USER MOD Single : A 38 SER OG : rot 48:sc= 0.369 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 80:sc= -0.842 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -3.17! C(o=-3.2!,f=-2.5!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 68 LYS NZ :NH3+ -152:sc= -0.048 (180deg=-0.4) USER MOD Single : A 72 GLN : amide:sc=-0.00617 X(o=-0.0062,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 85:sc= -0.983 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0175 X(o=-0.017,f=-0.094) USER MOD Single : A 92 ASN : amide:sc= -2.31 K(o=-2.3,f=-0.76) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N HIS A 14 -4.290 -18.379 3.889 1.00 0.00 N ATOM 151 CA HIS A 14 -2.915 -18.170 3.469 1.00 0.00 C ATOM 152 C HIS A 14 -2.243 -17.160 4.402 1.00 0.00 C ATOM 153 O HIS A 14 -2.879 -16.212 4.859 1.00 0.00 O ATOM 154 CB HIS A 14 -2.853 -17.751 1.999 1.00 0.00 C ATOM 155 CG HIS A 14 -1.561 -18.119 1.310 1.00 0.00 C ATOM 156 ND1 HIS A 14 -0.507 -17.234 1.170 1.00 0.00 N ATOM 157 CD2 HIS A 14 -1.164 -19.286 0.724 1.00 0.00 C ATOM 158 CE1 HIS A 14 0.474 -17.849 0.527 1.00 0.00 C ATOM 159 NE2 HIS A 14 0.065 -19.121 0.251 1.00 0.00 N ATOM 0 HA HIS A 14 -2.362 -19.106 3.543 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.683 -18.214 1.465 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.994 -16.672 1.933 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.751 -20.190 0.657 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.430 -17.419 0.267 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.613 -19.828 -0.238 1.00 0.00 H new ATOM 167 N PRO A 15 -0.930 -17.405 4.663 1.00 0.00 N ATOM 168 CA PRO A 15 -0.164 -16.529 5.533 1.00 0.00 C ATOM 169 C PRO A 15 0.186 -15.220 4.822 1.00 0.00 C ATOM 170 O PRO A 15 0.577 -14.246 5.464 1.00 0.00 O ATOM 171 CB PRO A 15 1.061 -17.338 5.926 1.00 0.00 C ATOM 172 CG PRO A 15 1.170 -18.454 4.899 1.00 0.00 C ATOM 173 CD PRO A 15 -0.144 -18.518 4.139 1.00 0.00 C ATOM 0 HA PRO A 15 -0.722 -16.221 6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.957 -16.717 5.924 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.956 -17.742 6.933 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.997 -18.264 4.215 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.374 -19.406 5.390 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.015 -18.420 3.065 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.649 -19.470 4.301 1.00 0.00 H new ATOM 181 N SER A 16 0.032 -15.239 3.506 1.00 0.00 N ATOM 182 CA SER A 16 0.326 -14.066 2.701 1.00 0.00 C ATOM 183 C SER A 16 -0.911 -13.171 2.607 1.00 0.00 C ATOM 184 O SER A 16 -0.806 -11.949 2.696 1.00 0.00 O ATOM 185 CB SER A 16 0.802 -14.463 1.303 1.00 0.00 C ATOM 186 OG SER A 16 1.751 -15.525 1.343 1.00 0.00 O ATOM 0 H SER A 16 -0.293 -16.049 2.977 1.00 0.00 H new ATOM 0 HA SER A 16 1.130 -13.512 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.055 -14.765 0.701 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.247 -13.597 0.812 1.00 0.00 H new ATOM 0 HG SER A 16 2.336 -15.470 0.559 1.00 0.00 H new ATOM 192 N ILE A 17 -2.055 -13.815 2.429 1.00 0.00 N ATOM 193 CA ILE A 17 -3.312 -13.093 2.321 1.00 0.00 C ATOM 194 C ILE A 17 -3.626 -12.424 3.661 1.00 0.00 C ATOM 195 O ILE A 17 -3.943 -11.237 3.706 1.00 0.00 O ATOM 196 CB ILE A 17 -4.421 -14.020 1.821 1.00 0.00 C ATOM 197 CG1 ILE A 17 -4.103 -14.551 0.422 1.00 0.00 C ATOM 198 CG2 ILE A 17 -5.783 -13.324 1.874 1.00 0.00 C ATOM 199 CD1 ILE A 17 -4.232 -13.445 -0.627 1.00 0.00 C ATOM 0 H ILE A 17 -2.138 -14.829 2.357 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.234 -12.299 1.578 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.473 -14.881 2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.092 -14.957 0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.780 -15.370 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.554 -14.005 1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.005 -13.037 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.762 -12.434 1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.001 -13.849 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.251 -13.058 -0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.537 -12.639 -0.393 1.00 0.00 H new ATOM 211 N SER A 18 -3.528 -13.216 4.719 1.00 0.00 N ATOM 212 CA SER A 18 -3.798 -12.715 6.056 1.00 0.00 C ATOM 213 C SER A 18 -2.934 -11.484 6.338 1.00 0.00 C ATOM 214 O SER A 18 -3.261 -10.678 7.207 1.00 0.00 O ATOM 215 CB SER A 18 -3.546 -13.794 7.110 1.00 0.00 C ATOM 216 OG SER A 18 -3.678 -13.288 8.435 1.00 0.00 O ATOM 0 H SER A 18 -3.265 -14.201 4.677 1.00 0.00 H new ATOM 0 HA SER A 18 -4.849 -12.433 6.110 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.249 -14.614 6.964 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.545 -14.204 6.977 1.00 0.00 H new ATOM 0 HG SER A 18 -3.511 -14.008 9.078 1.00 0.00 H new ATOM 222 N ARG A 19 -1.847 -11.379 5.588 1.00 0.00 N ATOM 223 CA ARG A 19 -0.933 -10.261 5.746 1.00 0.00 C ATOM 224 C ARG A 19 -1.414 -9.062 4.927 1.00 0.00 C ATOM 225 O ARG A 19 -1.663 -7.990 5.477 1.00 0.00 O ATOM 226 CB ARG A 19 0.482 -10.639 5.303 1.00 0.00 C ATOM 227 CG ARG A 19 1.376 -9.400 5.208 1.00 0.00 C ATOM 228 CD ARG A 19 1.518 -8.721 6.571 1.00 0.00 C ATOM 229 NE ARG A 19 2.925 -8.783 7.024 1.00 0.00 N ATOM 230 CZ ARG A 19 3.454 -9.816 7.694 1.00 0.00 C ATOM 231 NH1 ARG A 19 2.696 -10.879 7.993 1.00 0.00 N ATOM 232 NH2 ARG A 19 4.742 -9.786 8.064 1.00 0.00 N ATOM 0 H ARG A 19 -1.579 -12.051 4.869 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.912 -9.997 6.803 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.911 -11.348 6.011 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.443 -11.139 4.335 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.360 -9.685 4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.954 -8.697 4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.194 -7.682 6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.871 -9.210 7.299 1.00 0.00 H new ATOM 0 HE ARG A 19 3.530 -7.990 6.813 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.716 -10.902 7.711 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.099 -11.665 8.503 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.320 -8.977 7.836 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.145 -10.572 8.574 1.00 0.00 H new ATOM 246 N LEU A 20 -1.531 -9.283 3.626 1.00 0.00 N ATOM 247 CA LEU A 20 -1.978 -8.234 2.726 1.00 0.00 C ATOM 248 C LEU A 20 -3.245 -7.589 3.290 1.00 0.00 C ATOM 249 O LEU A 20 -3.336 -6.366 3.381 1.00 0.00 O ATOM 250 CB LEU A 20 -2.146 -8.781 1.307 1.00 0.00 C ATOM 251 CG LEU A 20 -0.873 -8.854 0.461 1.00 0.00 C ATOM 252 CD1 LEU A 20 0.174 -9.751 1.123 1.00 0.00 C ATOM 253 CD2 LEU A 20 -1.189 -9.300 -0.968 1.00 0.00 C ATOM 0 H LEU A 20 -1.324 -10.173 3.174 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.226 -7.449 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.573 -9.782 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.872 -8.159 0.783 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.446 -7.853 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.069 -9.786 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.429 -9.350 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.228 -10.758 1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.267 -9.344 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.652 -10.287 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.874 -8.588 -1.428 1.00 0.00 H new ATOM 265 N GLN A 21 -4.192 -8.441 3.656 1.00 0.00 N ATOM 266 CA GLN A 21 -5.450 -7.969 4.209 1.00 0.00 C ATOM 267 C GLN A 21 -5.194 -6.900 5.273 1.00 0.00 C ATOM 268 O GLN A 21 -5.985 -5.970 5.426 1.00 0.00 O ATOM 269 CB GLN A 21 -6.266 -9.130 4.783 1.00 0.00 C ATOM 270 CG GLN A 21 -7.397 -9.528 3.832 1.00 0.00 C ATOM 271 CD GLN A 21 -8.369 -10.494 4.511 1.00 0.00 C ATOM 272 OE1 GLN A 21 -9.247 -10.106 5.265 1.00 0.00 O ATOM 273 NE2 GLN A 21 -8.165 -11.772 4.204 1.00 0.00 N ATOM 0 H GLN A 21 -4.113 -9.455 3.580 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.033 -7.521 3.405 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.614 -9.986 4.957 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.682 -8.844 5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.933 -8.637 3.505 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.980 -9.994 2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.412 -12.029 3.566 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.761 -12.495 4.607 1.00 0.00 H new ATOM 282 N GLU A 22 -4.087 -7.067 5.980 1.00 0.00 N ATOM 283 CA GLU A 22 -3.717 -6.128 7.026 1.00 0.00 C ATOM 284 C GLU A 22 -3.007 -4.914 6.422 1.00 0.00 C ATOM 285 O GLU A 22 -3.125 -3.803 6.935 1.00 0.00 O ATOM 286 CB GLU A 22 -2.844 -6.803 8.085 1.00 0.00 C ATOM 287 CG GLU A 22 -3.597 -6.942 9.409 1.00 0.00 C ATOM 288 CD GLU A 22 -3.053 -5.966 10.455 1.00 0.00 C ATOM 289 OE1 GLU A 22 -3.288 -4.752 10.274 1.00 0.00 O ATOM 290 OE2 GLU A 22 -2.415 -6.457 11.411 1.00 0.00 O ATOM 0 H GLU A 22 -3.433 -7.839 5.849 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.627 -5.785 7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.535 -7.787 7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.936 -6.220 8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.659 -6.754 9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.506 -7.964 9.778 1.00 0.00 H new ATOM 297 N ILE A 23 -2.286 -5.169 5.340 1.00 0.00 N ATOM 298 CA ILE A 23 -1.558 -4.111 4.660 1.00 0.00 C ATOM 299 C ILE A 23 -2.545 -3.229 3.893 1.00 0.00 C ATOM 300 O ILE A 23 -2.407 -2.007 3.876 1.00 0.00 O ATOM 301 CB ILE A 23 -0.450 -4.700 3.785 1.00 0.00 C ATOM 302 CG1 ILE A 23 0.730 -5.172 4.637 1.00 0.00 C ATOM 303 CG2 ILE A 23 -0.016 -3.705 2.706 1.00 0.00 C ATOM 304 CD1 ILE A 23 1.429 -6.370 3.990 1.00 0.00 C ATOM 0 H ILE A 23 -2.190 -6.092 4.918 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.054 -3.470 5.383 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.849 -5.576 3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.441 -4.356 4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.379 -5.445 5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.772 -4.149 2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.869 -3.460 2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.358 -2.796 3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.264 -6.686 4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.721 -7.192 3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.801 -6.086 3.005 1.00 0.00 H new ATOM 316 N GLN A 24 -3.518 -3.883 3.277 1.00 0.00 N ATOM 317 CA GLN A 24 -4.528 -3.174 2.510 1.00 0.00 C ATOM 318 C GLN A 24 -5.285 -2.193 3.407 1.00 0.00 C ATOM 319 O GLN A 24 -5.267 -0.987 3.169 1.00 0.00 O ATOM 320 CB GLN A 24 -5.490 -4.153 1.833 1.00 0.00 C ATOM 321 CG GLN A 24 -4.843 -4.797 0.605 1.00 0.00 C ATOM 322 CD GLN A 24 -5.687 -5.965 0.090 1.00 0.00 C ATOM 323 OE1 GLN A 24 -5.383 -7.126 0.308 1.00 0.00 O ATOM 324 NE2 GLN A 24 -6.760 -5.594 -0.602 1.00 0.00 N ATOM 0 H GLN A 24 -3.629 -4.897 3.293 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.028 -2.606 1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.785 -4.927 2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.399 -3.629 1.537 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.727 -4.052 -0.182 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.844 -5.150 0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.956 -4.604 -0.747 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.387 -6.300 -0.987 1.00 0.00 H new ATOM 333 N ARG A 25 -5.933 -2.748 4.421 1.00 0.00 N ATOM 334 CA ARG A 25 -6.695 -1.937 5.356 1.00 0.00 C ATOM 335 C ARG A 25 -5.861 -0.743 5.824 1.00 0.00 C ATOM 336 O ARG A 25 -6.405 0.319 6.123 1.00 0.00 O ATOM 337 CB ARG A 25 -7.126 -2.758 6.573 1.00 0.00 C ATOM 338 CG ARG A 25 -5.911 -3.215 7.384 1.00 0.00 C ATOM 339 CD ARG A 25 -6.344 -3.877 8.694 1.00 0.00 C ATOM 340 NE ARG A 25 -6.132 -2.946 9.825 1.00 0.00 N ATOM 341 CZ ARG A 25 -6.406 -3.242 11.103 1.00 0.00 C ATOM 342 NH1 ARG A 25 -6.906 -4.444 11.420 1.00 0.00 N ATOM 343 NH2 ARG A 25 -6.182 -2.335 12.063 1.00 0.00 N ATOM 0 H ARG A 25 -5.946 -3.749 4.616 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.586 -1.582 4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.785 -2.162 7.204 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.697 -3.627 6.246 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.320 -3.917 6.796 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.270 -2.360 7.599 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.395 -4.161 8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.775 -4.793 8.854 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.754 -2.021 9.619 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.078 -5.134 10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.115 -4.669 12.393 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.803 -1.419 11.821 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.390 -2.560 13.036 1.00 0.00 H new ATOM 357 N GLU A 26 -4.555 -0.956 5.873 1.00 0.00 N ATOM 358 CA GLU A 26 -3.641 0.090 6.300 1.00 0.00 C ATOM 359 C GLU A 26 -3.537 1.174 5.226 1.00 0.00 C ATOM 360 O GLU A 26 -4.058 2.275 5.397 1.00 0.00 O ATOM 361 CB GLU A 26 -2.263 -0.487 6.632 1.00 0.00 C ATOM 362 CG GLU A 26 -2.242 -1.078 8.043 1.00 0.00 C ATOM 363 CD GLU A 26 -1.702 -0.063 9.054 1.00 0.00 C ATOM 364 OE1 GLU A 26 -1.993 1.137 8.863 1.00 0.00 O ATOM 365 OE2 GLU A 26 -1.012 -0.512 9.994 1.00 0.00 O ATOM 0 H GLU A 26 -4.107 -1.838 5.624 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.037 0.543 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.003 -1.258 5.907 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.508 0.295 6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.249 -1.381 8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.623 -1.975 8.056 1.00 0.00 H new ATOM 372 N VAL A 27 -2.859 0.826 4.142 1.00 0.00 N ATOM 373 CA VAL A 27 -2.680 1.756 3.040 1.00 0.00 C ATOM 374 C VAL A 27 -4.017 2.429 2.724 1.00 0.00 C ATOM 375 O VAL A 27 -4.048 3.566 2.255 1.00 0.00 O ATOM 376 CB VAL A 27 -2.078 1.030 1.835 1.00 0.00 C ATOM 377 CG1 VAL A 27 -0.825 0.248 2.236 1.00 0.00 C ATOM 378 CG2 VAL A 27 -3.109 0.112 1.176 1.00 0.00 C ATOM 0 H VAL A 27 -2.427 -0.088 4.003 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.977 2.542 3.315 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.784 1.783 1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.417 -0.259 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.080 0.935 2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.084 -0.490 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.655 -0.392 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.448 -0.631 1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.960 0.704 0.838 1.00 0.00 H new ATOM 388 N LYS A 28 -5.090 1.700 2.994 1.00 0.00 N ATOM 389 CA LYS A 28 -6.426 2.213 2.745 1.00 0.00 C ATOM 390 C LYS A 28 -6.827 3.154 3.882 1.00 0.00 C ATOM 391 O LYS A 28 -7.421 4.204 3.644 1.00 0.00 O ATOM 392 CB LYS A 28 -7.409 1.061 2.524 1.00 0.00 C ATOM 393 CG LYS A 28 -8.659 1.542 1.783 1.00 0.00 C ATOM 394 CD LYS A 28 -8.423 1.574 0.272 1.00 0.00 C ATOM 395 CE LYS A 28 -8.613 0.186 -0.342 1.00 0.00 C ATOM 396 NZ LYS A 28 -10.051 -0.092 -0.557 1.00 0.00 N ATOM 0 H LYS A 28 -5.061 0.758 3.383 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.444 2.798 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.925 0.269 1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.694 0.632 3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.497 0.883 2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.933 2.537 2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.113 2.279 -0.193 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.414 1.932 0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.079 0.125 -1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.184 -0.571 0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.163 -1.038 -0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.552 -0.054 0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.450 0.620 -1.202 1.00 0.00 H new ATOM 410 N ALA A 29 -6.485 2.743 5.095 1.00 0.00 N ATOM 411 CA ALA A 29 -6.802 3.537 6.270 1.00 0.00 C ATOM 412 C ALA A 29 -5.950 4.807 6.267 1.00 0.00 C ATOM 413 O ALA A 29 -6.221 5.743 7.019 1.00 0.00 O ATOM 414 CB ALA A 29 -6.588 2.694 7.529 1.00 0.00 C ATOM 0 H ALA A 29 -5.992 1.871 5.289 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.848 3.842 6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.826 3.290 8.410 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.238 1.819 7.496 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.548 2.372 7.579 1.00 0.00 H new ATOM 420 N ILE A 30 -4.937 4.800 5.414 1.00 0.00 N ATOM 421 CA ILE A 30 -4.043 5.940 5.303 1.00 0.00 C ATOM 422 C ILE A 30 -4.216 6.587 3.927 1.00 0.00 C ATOM 423 O ILE A 30 -3.595 7.608 3.635 1.00 0.00 O ATOM 424 CB ILE A 30 -2.603 5.524 5.611 1.00 0.00 C ATOM 425 CG1 ILE A 30 -2.079 4.544 4.560 1.00 0.00 C ATOM 426 CG2 ILE A 30 -2.486 4.962 7.029 1.00 0.00 C ATOM 427 CD1 ILE A 30 -1.120 5.238 3.592 1.00 0.00 C ATOM 0 H ILE A 30 -4.715 4.022 4.792 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.297 6.697 6.045 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.973 6.412 5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.568 3.716 5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.915 4.118 4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.453 4.674 7.222 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.791 5.722 7.748 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.131 4.089 7.129 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.763 4.518 2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.640 6.050 3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.272 5.641 4.146 1.00 0.00 H new ATOM 439 N GLU A 31 -5.061 5.965 3.119 1.00 0.00 N ATOM 440 CA GLU A 31 -5.323 6.467 1.780 1.00 0.00 C ATOM 441 C GLU A 31 -5.798 7.920 1.842 1.00 0.00 C ATOM 442 O GLU A 31 -5.351 8.757 1.059 1.00 0.00 O ATOM 443 CB GLU A 31 -6.343 5.587 1.055 1.00 0.00 C ATOM 444 CG GLU A 31 -6.974 6.335 -0.122 1.00 0.00 C ATOM 445 CD GLU A 31 -8.080 5.501 -0.771 1.00 0.00 C ATOM 446 OE1 GLU A 31 -8.958 5.034 -0.014 1.00 0.00 O ATOM 447 OE2 GLU A 31 -8.024 5.351 -2.011 1.00 0.00 O ATOM 0 H GLU A 31 -5.573 5.118 3.365 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.394 6.433 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.856 4.680 0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.121 5.276 1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.384 7.284 0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.208 6.569 -0.862 1.00 0.00 H new ATOM 454 N PRO A 32 -6.722 8.182 2.805 1.00 0.00 N ATOM 455 CA PRO A 32 -7.263 9.520 2.979 1.00 0.00 C ATOM 456 C PRO A 32 -6.245 10.439 3.657 1.00 0.00 C ATOM 457 O PRO A 32 -6.263 11.651 3.451 1.00 0.00 O ATOM 458 CB PRO A 32 -8.529 9.329 3.799 1.00 0.00 C ATOM 459 CG PRO A 32 -8.404 7.959 4.446 1.00 0.00 C ATOM 460 CD PRO A 32 -7.275 7.216 3.750 1.00 0.00 C ATOM 0 HA PRO A 32 -7.488 10.009 2.031 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.627 10.110 4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.415 9.383 3.167 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.196 8.058 5.511 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.339 7.406 4.353 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.521 6.884 4.463 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.643 6.327 3.238 1.00 0.00 H new ATOM 468 N GLN A 33 -5.380 9.826 4.452 1.00 0.00 N ATOM 469 CA GLN A 33 -4.356 10.574 5.162 1.00 0.00 C ATOM 470 C GLN A 33 -3.414 11.257 4.168 1.00 0.00 C ATOM 471 O GLN A 33 -2.737 12.225 4.514 1.00 0.00 O ATOM 472 CB GLN A 33 -3.579 9.668 6.119 1.00 0.00 C ATOM 473 CG GLN A 33 -4.462 9.218 7.285 1.00 0.00 C ATOM 474 CD GLN A 33 -3.612 8.717 8.454 1.00 0.00 C ATOM 475 OE1 GLN A 33 -3.781 9.118 9.594 1.00 0.00 O ATOM 476 NE2 GLN A 33 -2.693 7.820 8.110 1.00 0.00 N ATOM 0 H GLN A 33 -5.367 8.820 4.620 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.844 11.344 5.759 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.209 8.796 5.580 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.708 10.199 6.502 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.087 10.048 7.614 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.133 8.426 6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.605 7.528 7.137 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.076 7.424 8.819 1.00 0.00 H new ATOM 485 N VAL A 34 -3.399 10.727 2.954 1.00 0.00 N ATOM 486 CA VAL A 34 -2.551 11.274 1.909 1.00 0.00 C ATOM 487 C VAL A 34 -3.375 12.218 1.032 1.00 0.00 C ATOM 488 O VAL A 34 -2.945 13.333 0.739 1.00 0.00 O ATOM 489 CB VAL A 34 -1.899 10.139 1.117 1.00 0.00 C ATOM 490 CG1 VAL A 34 -1.219 10.671 -0.146 1.00 0.00 C ATOM 491 CG2 VAL A 34 -0.909 9.361 1.986 1.00 0.00 C ATOM 0 H VAL A 34 -3.961 9.924 2.671 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.739 11.858 2.342 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.687 9.451 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.764 9.844 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.960 11.159 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.449 11.391 0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.460 8.560 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.128 10.034 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.433 8.934 2.841 1.00 0.00 H new ATOM 501 N VAL A 35 -4.545 11.738 0.636 1.00 0.00 N ATOM 502 CA VAL A 35 -5.433 12.526 -0.202 1.00 0.00 C ATOM 503 C VAL A 35 -5.841 13.796 0.548 1.00 0.00 C ATOM 504 O VAL A 35 -5.954 14.864 -0.051 1.00 0.00 O ATOM 505 CB VAL A 35 -6.630 11.678 -0.637 1.00 0.00 C ATOM 506 CG1 VAL A 35 -7.593 12.493 -1.503 1.00 0.00 C ATOM 507 CG2 VAL A 35 -6.171 10.415 -1.368 1.00 0.00 C ATOM 0 H VAL A 35 -4.899 10.813 0.880 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.923 12.837 -1.114 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.166 11.369 0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.435 11.867 -1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.959 13.348 -0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.072 12.845 -2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.041 9.831 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.601 10.694 -2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.543 9.819 -0.706 1.00 0.00 H new ATOM 517 N GLY A 36 -6.051 13.637 1.846 1.00 0.00 N ATOM 518 CA GLY A 36 -6.444 14.757 2.684 1.00 0.00 C ATOM 519 C GLY A 36 -5.245 15.309 3.458 1.00 0.00 C ATOM 520 O GLY A 36 -5.409 15.886 4.533 1.00 0.00 O ATOM 0 H GLY A 36 -5.956 12.749 2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.876 15.544 2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.218 14.439 3.383 1.00 0.00 H new ATOM 524 N PHE A 37 -4.068 15.113 2.883 1.00 0.00 N ATOM 525 CA PHE A 37 -2.843 15.584 3.506 1.00 0.00 C ATOM 526 C PHE A 37 -2.671 17.092 3.306 1.00 0.00 C ATOM 527 O PHE A 37 -3.450 17.720 2.591 1.00 0.00 O ATOM 528 CB PHE A 37 -1.685 14.856 2.822 1.00 0.00 C ATOM 529 CG PHE A 37 -0.319 15.123 3.458 1.00 0.00 C ATOM 530 CD1 PHE A 37 -0.111 14.831 4.770 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.687 15.652 2.712 1.00 0.00 C ATOM 532 CE1 PHE A 37 1.156 15.079 5.361 1.00 0.00 C ATOM 533 CE2 PHE A 37 1.955 15.900 3.302 1.00 0.00 C ATOM 534 CZ PHE A 37 2.162 15.608 4.614 1.00 0.00 C ATOM 0 H PHE A 37 -3.937 14.634 1.992 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.871 15.387 4.578 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.881 13.784 2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.651 15.154 1.774 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.910 14.410 5.363 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.522 15.884 1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.321 14.848 6.403 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.754 16.320 2.709 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.126 15.796 5.063 1.00 0.00 H new ATOM 544 N SER A 38 -1.646 17.628 3.952 1.00 0.00 N ATOM 545 CA SER A 38 -1.361 19.050 3.854 1.00 0.00 C ATOM 546 C SER A 38 -0.058 19.374 4.587 1.00 0.00 C ATOM 547 O SER A 38 -0.082 19.870 5.712 1.00 0.00 O ATOM 548 CB SER A 38 -2.512 19.882 4.423 1.00 0.00 C ATOM 549 OG SER A 38 -2.830 19.509 5.761 1.00 0.00 O ATOM 0 H SER A 38 -1.003 17.104 4.545 1.00 0.00 H new ATOM 0 HA SER A 38 -1.250 19.305 2.800 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.244 20.938 4.395 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.393 19.760 3.793 1.00 0.00 H new ATOM 0 HG SER A 38 -2.008 19.463 6.292 1.00 0.00 H new ATOM 555 N GLY A 39 1.048 19.082 3.919 1.00 0.00 N ATOM 556 CA GLY A 39 2.358 19.336 4.493 1.00 0.00 C ATOM 557 C GLY A 39 3.383 19.651 3.401 1.00 0.00 C ATOM 558 O GLY A 39 3.103 20.423 2.485 1.00 0.00 O ATOM 0 H GLY A 39 1.064 18.672 2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.297 20.170 5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.684 18.466 5.063 1.00 0.00 H new ATOM 562 N LEU A 40 4.550 19.036 3.535 1.00 0.00 N ATOM 563 CA LEU A 40 5.618 19.241 2.571 1.00 0.00 C ATOM 564 C LEU A 40 6.040 17.890 1.990 1.00 0.00 C ATOM 565 O LEU A 40 5.823 16.849 2.609 1.00 0.00 O ATOM 566 CB LEU A 40 6.769 20.025 3.205 1.00 0.00 C ATOM 567 CG LEU A 40 6.731 21.542 3.015 1.00 0.00 C ATOM 568 CD1 LEU A 40 7.738 22.235 3.935 1.00 0.00 C ATOM 569 CD2 LEU A 40 6.945 21.917 1.547 1.00 0.00 C ATOM 0 H LEU A 40 4.779 18.396 4.296 1.00 0.00 H new ATOM 0 HA LEU A 40 5.268 19.851 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.782 19.813 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.707 19.651 2.795 1.00 0.00 H new ATOM 0 HG LEU A 40 5.739 21.896 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.691 23.313 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.499 22.007 4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.743 21.880 3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.913 23.001 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.915 21.548 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.159 21.469 0.939 1.00 0.00 H new ATOM 581 N SER A 41 6.636 17.951 0.808 1.00 0.00 N ATOM 582 CA SER A 41 7.091 16.745 0.137 1.00 0.00 C ATOM 583 C SER A 41 7.764 15.808 1.143 1.00 0.00 C ATOM 584 O SER A 41 7.428 14.627 1.218 1.00 0.00 O ATOM 585 CB SER A 41 8.055 17.079 -1.003 1.00 0.00 C ATOM 586 OG SER A 41 8.994 18.084 -0.631 1.00 0.00 O ATOM 0 H SER A 41 6.814 18.816 0.298 1.00 0.00 H new ATOM 0 HA SER A 41 6.223 16.245 -0.292 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.589 16.177 -1.302 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.488 17.416 -1.870 1.00 0.00 H new ATOM 0 HG SER A 41 9.592 18.268 -1.385 1.00 0.00 H new ATOM 652 N TYR A 46 4.368 14.133 6.470 1.00 0.00 N ATOM 653 CA TYR A 46 4.676 13.339 5.293 1.00 0.00 C ATOM 654 C TYR A 46 5.538 12.129 5.657 1.00 0.00 C ATOM 655 O TYR A 46 5.177 10.992 5.355 1.00 0.00 O ATOM 656 CB TYR A 46 5.473 14.256 4.363 1.00 0.00 C ATOM 657 CG TYR A 46 5.612 13.724 2.935 1.00 0.00 C ATOM 658 CD1 TYR A 46 6.388 12.610 2.686 1.00 0.00 C ATOM 659 CD2 TYR A 46 4.963 14.359 1.895 1.00 0.00 C ATOM 660 CE1 TYR A 46 6.519 12.110 1.342 1.00 0.00 C ATOM 661 CE2 TYR A 46 5.094 13.859 0.552 1.00 0.00 C ATOM 662 CZ TYR A 46 5.866 12.759 0.341 1.00 0.00 C ATOM 663 OH TYR A 46 5.990 12.286 -0.928 1.00 0.00 O ATOM 0 HA TYR A 46 3.761 12.967 4.831 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.990 15.233 4.331 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.468 14.406 4.782 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.897 12.113 3.499 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.357 15.231 2.089 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.122 11.239 1.134 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.591 14.346 -0.270 1.00 0.00 H new ATOM 0 HH TYR A 46 5.390 11.521 -1.052 1.00 0.00 H new ATOM 673 N LYS A 47 6.660 12.414 6.302 1.00 0.00 N ATOM 674 CA LYS A 47 7.576 11.363 6.710 1.00 0.00 C ATOM 675 C LYS A 47 6.774 10.155 7.199 1.00 0.00 C ATOM 676 O LYS A 47 6.836 9.081 6.602 1.00 0.00 O ATOM 677 CB LYS A 47 8.576 11.894 7.739 1.00 0.00 C ATOM 678 CG LYS A 47 9.560 12.872 7.094 1.00 0.00 C ATOM 679 CD LYS A 47 10.284 12.222 5.913 1.00 0.00 C ATOM 680 CE LYS A 47 11.672 12.835 5.717 1.00 0.00 C ATOM 681 NZ LYS A 47 12.483 11.999 4.804 1.00 0.00 N ATOM 0 H LYS A 47 6.955 13.358 6.552 1.00 0.00 H new ATOM 0 HA LYS A 47 8.173 11.028 5.862 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.041 12.391 8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.123 11.062 8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.026 13.759 6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.288 13.202 7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.377 11.150 6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.694 12.350 5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.577 13.842 5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.175 12.926 6.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.422 12.429 4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.588 11.046 5.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.009 11.933 3.880 1.00 0.00 H new ATOM 695 N ARG A 48 6.039 10.371 8.280 1.00 0.00 N ATOM 696 CA ARG A 48 5.226 9.313 8.855 1.00 0.00 C ATOM 697 C ARG A 48 4.401 8.625 7.766 1.00 0.00 C ATOM 698 O ARG A 48 4.504 7.414 7.575 1.00 0.00 O ATOM 699 CB ARG A 48 4.283 9.865 9.927 1.00 0.00 C ATOM 700 CG ARG A 48 3.614 8.730 10.705 1.00 0.00 C ATOM 701 CD ARG A 48 3.926 8.832 12.200 1.00 0.00 C ATOM 702 NE ARG A 48 2.755 8.393 12.992 1.00 0.00 N ATOM 703 CZ ARG A 48 2.638 8.562 14.316 1.00 0.00 C ATOM 704 NH1 ARG A 48 3.619 9.161 15.004 1.00 0.00 N ATOM 705 NH2 ARG A 48 1.540 8.132 14.952 1.00 0.00 N ATOM 0 H ARG A 48 5.990 11.263 8.773 1.00 0.00 H new ATOM 0 HA ARG A 48 5.900 8.590 9.316 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.840 10.502 10.614 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.521 10.489 9.460 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.535 8.765 10.552 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.959 7.769 10.323 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.791 8.215 12.442 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.185 9.859 12.457 1.00 0.00 H new ATOM 0 HE ARG A 48 1.989 7.933 12.499 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.455 9.488 14.520 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.530 9.290 16.012 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.793 7.676 14.428 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.451 8.261 15.960 1.00 0.00 H new ATOM 719 N LEU A 49 3.601 9.427 7.079 1.00 0.00 N ATOM 720 CA LEU A 49 2.759 8.911 6.013 1.00 0.00 C ATOM 721 C LEU A 49 3.611 8.077 5.054 1.00 0.00 C ATOM 722 O LEU A 49 3.406 6.871 4.923 1.00 0.00 O ATOM 723 CB LEU A 49 2.000 10.050 5.329 1.00 0.00 C ATOM 724 CG LEU A 49 0.915 10.730 6.166 1.00 0.00 C ATOM 725 CD1 LEU A 49 -0.075 11.481 5.274 1.00 0.00 C ATOM 726 CD2 LEU A 49 0.213 9.721 7.078 1.00 0.00 C ATOM 0 H LEU A 49 3.518 10.431 7.240 1.00 0.00 H new ATOM 0 HA LEU A 49 1.994 8.249 6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.721 10.807 5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.540 9.660 4.421 1.00 0.00 H new ATOM 0 HG LEU A 49 1.393 11.468 6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.836 11.955 5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.455 12.243 4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.551 10.780 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.554 10.230 7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.250 8.943 6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.942 9.270 7.751 1.00 0.00 H new ATOM 738 N GLU A 50 4.550 8.753 4.408 1.00 0.00 N ATOM 739 CA GLU A 50 5.435 8.089 3.465 1.00 0.00 C ATOM 740 C GLU A 50 5.954 6.778 4.057 1.00 0.00 C ATOM 741 O GLU A 50 5.849 5.725 3.430 1.00 0.00 O ATOM 742 CB GLU A 50 6.592 9.005 3.061 1.00 0.00 C ATOM 743 CG GLU A 50 7.699 8.214 2.361 1.00 0.00 C ATOM 744 CD GLU A 50 8.566 9.132 1.498 1.00 0.00 C ATOM 745 OE1 GLU A 50 9.501 9.733 2.070 1.00 0.00 O ATOM 746 OE2 GLU A 50 8.275 9.212 0.285 1.00 0.00 O ATOM 0 H GLU A 50 4.717 9.753 4.519 1.00 0.00 H new ATOM 0 HA GLU A 50 4.867 7.858 2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.226 9.789 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.996 9.498 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.320 7.715 3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.257 7.435 1.740 1.00 0.00 H new ATOM 753 N ARG A 51 6.505 6.884 5.258 1.00 0.00 N ATOM 754 CA ARG A 51 7.041 5.720 5.941 1.00 0.00 C ATOM 755 C ARG A 51 6.011 4.588 5.949 1.00 0.00 C ATOM 756 O ARG A 51 6.329 3.453 5.596 1.00 0.00 O ATOM 757 CB ARG A 51 7.428 6.057 7.383 1.00 0.00 C ATOM 758 CG ARG A 51 8.828 5.533 7.711 1.00 0.00 C ATOM 759 CD ARG A 51 9.881 6.627 7.522 1.00 0.00 C ATOM 760 NE ARG A 51 11.190 6.019 7.194 1.00 0.00 N ATOM 761 CZ ARG A 51 11.577 5.693 5.954 1.00 0.00 C ATOM 762 NH1 ARG A 51 10.758 5.914 4.916 1.00 0.00 N ATOM 763 NH2 ARG A 51 12.783 5.145 5.751 1.00 0.00 N ATOM 0 H ARG A 51 6.591 7.759 5.775 1.00 0.00 H new ATOM 0 HA ARG A 51 7.933 5.401 5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.396 7.137 7.529 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.702 5.621 8.070 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.854 5.172 8.739 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.062 4.683 7.069 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.575 7.304 6.724 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.965 7.223 8.431 1.00 0.00 H new ATOM 0 HE ARG A 51 11.838 5.837 7.960 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.840 6.331 5.070 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.053 5.666 3.972 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.406 4.976 6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.078 4.897 4.807 1.00 0.00 H new ATOM 777 N ILE A 52 4.799 4.936 6.355 1.00 0.00 N ATOM 778 CA ILE A 52 3.721 3.963 6.413 1.00 0.00 C ATOM 779 C ILE A 52 3.659 3.198 5.090 1.00 0.00 C ATOM 780 O ILE A 52 3.766 1.973 5.071 1.00 0.00 O ATOM 781 CB ILE A 52 2.405 4.645 6.792 1.00 0.00 C ATOM 782 CG1 ILE A 52 2.514 5.327 8.157 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.240 3.654 6.738 1.00 0.00 C ATOM 784 CD1 ILE A 52 1.660 6.596 8.206 1.00 0.00 C ATOM 0 H ILE A 52 4.539 5.878 6.647 1.00 0.00 H new ATOM 0 HA ILE A 52 3.911 3.229 7.197 1.00 0.00 H new ATOM 0 HB ILE A 52 2.200 5.425 6.058 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.193 4.638 8.938 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.555 5.577 8.360 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.316 4.163 7.012 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.149 3.254 5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.424 2.837 7.436 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.756 7.061 9.187 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.999 7.293 7.439 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.616 6.339 8.026 1.00 0.00 H new ATOM 796 N LEU A 53 3.486 3.953 4.014 1.00 0.00 N ATOM 797 CA LEU A 53 3.407 3.361 2.690 1.00 0.00 C ATOM 798 C LEU A 53 4.704 2.603 2.397 1.00 0.00 C ATOM 799 O LEU A 53 4.672 1.429 2.032 1.00 0.00 O ATOM 800 CB LEU A 53 3.069 4.427 1.646 1.00 0.00 C ATOM 801 CG LEU A 53 1.599 4.843 1.564 1.00 0.00 C ATOM 802 CD1 LEU A 53 1.446 6.176 0.830 1.00 0.00 C ATOM 803 CD2 LEU A 53 0.751 3.739 0.929 1.00 0.00 C ATOM 0 H LEU A 53 3.398 4.969 4.033 1.00 0.00 H new ATOM 0 HA LEU A 53 2.595 2.635 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.666 5.315 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.377 4.059 0.667 1.00 0.00 H new ATOM 0 HG LEU A 53 1.229 4.990 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.391 6.448 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.999 6.950 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.839 6.081 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.289 4.061 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.113 3.536 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.824 2.833 1.530 1.00 0.00 H new ATOM 815 N THR A 54 5.814 3.306 2.568 1.00 0.00 N ATOM 816 CA THR A 54 7.119 2.714 2.327 1.00 0.00 C ATOM 817 C THR A 54 7.239 1.373 3.053 1.00 0.00 C ATOM 818 O THR A 54 7.602 0.366 2.448 1.00 0.00 O ATOM 819 CB THR A 54 8.183 3.730 2.747 1.00 0.00 C ATOM 820 OG1 THR A 54 9.115 3.722 1.669 1.00 0.00 O ATOM 821 CG2 THR A 54 9.002 3.257 3.950 1.00 0.00 C ATOM 0 H THR A 54 5.837 4.280 2.870 1.00 0.00 H new ATOM 0 HA THR A 54 7.262 2.489 1.270 1.00 0.00 H new ATOM 0 HB THR A 54 7.704 4.680 2.985 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.839 4.355 1.858 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.742 4.015 4.207 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.339 3.094 4.800 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.508 2.324 3.701 1.00 0.00 H new ATOM 829 N LYS A 55 6.927 1.403 4.340 1.00 0.00 N ATOM 830 CA LYS A 55 6.995 0.202 5.155 1.00 0.00 C ATOM 831 C LYS A 55 6.048 -0.853 4.580 1.00 0.00 C ATOM 832 O LYS A 55 6.487 -1.925 4.164 1.00 0.00 O ATOM 833 CB LYS A 55 6.725 0.535 6.624 1.00 0.00 C ATOM 834 CG LYS A 55 7.975 0.307 7.477 1.00 0.00 C ATOM 835 CD LYS A 55 8.931 1.498 7.377 1.00 0.00 C ATOM 836 CE LYS A 55 10.376 1.063 7.630 1.00 0.00 C ATOM 837 NZ LYS A 55 11.197 1.262 6.415 1.00 0.00 N ATOM 0 H LYS A 55 6.626 2.240 4.839 1.00 0.00 H new ATOM 0 HA LYS A 55 7.999 -0.221 5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.405 1.573 6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.908 -0.083 6.997 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.687 0.153 8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.483 -0.600 7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.851 1.951 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.645 2.261 8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.795 1.636 8.457 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.400 0.014 7.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.175 0.962 6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.806 0.696 5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.188 2.268 6.151 1.00 0.00 H new ATOM 851 N GLN A 56 4.767 -0.514 4.576 1.00 0.00 N ATOM 852 CA GLN A 56 3.755 -1.420 4.059 1.00 0.00 C ATOM 853 C GLN A 56 4.180 -1.968 2.695 1.00 0.00 C ATOM 854 O GLN A 56 4.103 -3.172 2.454 1.00 0.00 O ATOM 855 CB GLN A 56 2.394 -0.727 3.971 1.00 0.00 C ATOM 856 CG GLN A 56 1.852 -0.405 5.365 1.00 0.00 C ATOM 857 CD GLN A 56 1.820 -1.657 6.244 1.00 0.00 C ATOM 858 OE1 GLN A 56 2.815 -2.074 6.813 1.00 0.00 O ATOM 859 NE2 GLN A 56 0.623 -2.232 6.323 1.00 0.00 N ATOM 0 H GLN A 56 4.407 0.375 4.922 1.00 0.00 H new ATOM 0 HA GLN A 56 3.657 -2.257 4.750 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.486 0.192 3.392 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.689 -1.368 3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.475 0.357 5.834 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.848 0.011 5.282 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.169 -1.831 5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.498 -3.074 6.885 1.00 0.00 H new ATOM 868 N LEU A 57 4.620 -1.058 1.838 1.00 0.00 N ATOM 869 CA LEU A 57 5.057 -1.435 0.505 1.00 0.00 C ATOM 870 C LEU A 57 6.134 -2.516 0.613 1.00 0.00 C ATOM 871 O LEU A 57 5.991 -3.599 0.048 1.00 0.00 O ATOM 872 CB LEU A 57 5.501 -0.201 -0.283 1.00 0.00 C ATOM 873 CG LEU A 57 6.207 -0.472 -1.613 1.00 0.00 C ATOM 874 CD1 LEU A 57 7.684 -0.807 -1.391 1.00 0.00 C ATOM 875 CD2 LEU A 57 5.485 -1.563 -2.405 1.00 0.00 C ATOM 0 H LEU A 57 4.683 -0.060 2.041 1.00 0.00 H new ATOM 0 HA LEU A 57 4.229 -1.864 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.624 0.415 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.169 0.387 0.347 1.00 0.00 H new ATOM 0 HG LEU A 57 6.169 0.438 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.163 -0.995 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.177 0.031 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.765 -1.695 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.008 -1.736 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.470 -2.485 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.462 -1.247 -2.611 1.00 0.00 H new ATOM 887 N PHE A 58 7.189 -2.184 1.342 1.00 0.00 N ATOM 888 CA PHE A 58 8.290 -3.113 1.532 1.00 0.00 C ATOM 889 C PHE A 58 7.777 -4.499 1.926 1.00 0.00 C ATOM 890 O PHE A 58 8.426 -5.507 1.652 1.00 0.00 O ATOM 891 CB PHE A 58 9.152 -2.559 2.668 1.00 0.00 C ATOM 892 CG PHE A 58 10.621 -2.984 2.599 1.00 0.00 C ATOM 893 CD1 PHE A 58 10.987 -4.232 2.994 1.00 0.00 C ATOM 894 CD2 PHE A 58 11.560 -2.112 2.142 1.00 0.00 C ATOM 895 CE1 PHE A 58 12.350 -4.627 2.929 1.00 0.00 C ATOM 896 CE2 PHE A 58 12.922 -2.506 2.078 1.00 0.00 C ATOM 897 CZ PHE A 58 13.289 -3.755 2.473 1.00 0.00 C ATOM 0 H PHE A 58 7.305 -1.284 1.808 1.00 0.00 H new ATOM 0 HA PHE A 58 8.855 -3.215 0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.098 -1.470 2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.734 -2.886 3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.241 -4.924 3.357 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.269 -1.120 1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.640 -5.619 3.241 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.668 -1.814 1.715 1.00 0.00 H new ATOM 0 HZ PHE A 58 14.326 -4.054 2.425 1.00 0.00 H new ATOM 907 N GLU A 59 6.615 -4.505 2.564 1.00 0.00 N ATOM 908 CA GLU A 59 6.007 -5.751 2.999 1.00 0.00 C ATOM 909 C GLU A 59 5.318 -6.445 1.822 1.00 0.00 C ATOM 910 O GLU A 59 5.252 -7.672 1.773 1.00 0.00 O ATOM 911 CB GLU A 59 5.023 -5.510 4.145 1.00 0.00 C ATOM 912 CG GLU A 59 5.693 -5.739 5.501 1.00 0.00 C ATOM 913 CD GLU A 59 5.664 -7.220 5.884 1.00 0.00 C ATOM 914 OE1 GLU A 59 5.822 -8.048 4.962 1.00 0.00 O ATOM 915 OE2 GLU A 59 5.483 -7.490 7.091 1.00 0.00 O ATOM 0 H GLU A 59 6.079 -3.667 2.790 1.00 0.00 H new ATOM 0 HA GLU A 59 6.795 -6.406 3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.640 -4.491 4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.168 -6.177 4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.725 -5.389 5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.184 -5.152 6.266 1.00 0.00 H new ATOM 922 N ILE A 60 4.822 -5.629 0.903 1.00 0.00 N ATOM 923 CA ILE A 60 4.141 -6.149 -0.270 1.00 0.00 C ATOM 924 C ILE A 60 5.122 -6.983 -1.097 1.00 0.00 C ATOM 925 O ILE A 60 4.772 -8.056 -1.586 1.00 0.00 O ATOM 926 CB ILE A 60 3.485 -5.012 -1.057 1.00 0.00 C ATOM 927 CG1 ILE A 60 2.504 -4.232 -0.179 1.00 0.00 C ATOM 928 CG2 ILE A 60 2.821 -5.539 -2.330 1.00 0.00 C ATOM 929 CD1 ILE A 60 1.891 -3.061 -0.949 1.00 0.00 C ATOM 0 H ILE A 60 4.878 -4.612 0.947 1.00 0.00 H new ATOM 0 HA ILE A 60 3.328 -6.812 0.025 1.00 0.00 H new ATOM 0 HB ILE A 60 4.265 -4.315 -1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.713 -4.897 0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.019 -3.860 0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.362 -4.711 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.571 -6.014 -2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.055 -6.268 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.198 -2.523 -0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.682 -2.385 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.356 -3.439 -1.820 1.00 0.00 H new ATOM 941 N ASP A 61 6.332 -6.457 -1.228 1.00 0.00 N ATOM 942 CA ASP A 61 7.366 -7.139 -1.987 1.00 0.00 C ATOM 943 C ASP A 61 7.878 -8.336 -1.182 1.00 0.00 C ATOM 944 O ASP A 61 8.390 -9.298 -1.752 1.00 0.00 O ATOM 945 CB ASP A 61 8.551 -6.211 -2.260 1.00 0.00 C ATOM 946 CG ASP A 61 9.425 -6.612 -3.450 1.00 0.00 C ATOM 947 OD1 ASP A 61 9.701 -7.825 -3.569 1.00 0.00 O ATOM 948 OD2 ASP A 61 9.797 -5.696 -4.215 1.00 0.00 O ATOM 0 H ASP A 61 6.619 -5.567 -0.821 1.00 0.00 H new ATOM 0 HA ASP A 61 6.933 -7.459 -2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.172 -5.203 -2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.175 -6.171 -1.367 1.00 0.00 H new ATOM 953 N SER A 62 7.721 -8.236 0.130 1.00 0.00 N ATOM 954 CA SER A 62 8.161 -9.298 1.019 1.00 0.00 C ATOM 955 C SER A 62 7.184 -10.474 0.953 1.00 0.00 C ATOM 956 O SER A 62 7.570 -11.620 1.177 1.00 0.00 O ATOM 957 CB SER A 62 8.290 -8.794 2.457 1.00 0.00 C ATOM 958 OG SER A 62 9.551 -9.131 3.030 1.00 0.00 O ATOM 0 H SER A 62 7.295 -7.436 0.599 1.00 0.00 H new ATOM 0 HA SER A 62 9.145 -9.633 0.691 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.161 -7.712 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.491 -9.220 3.064 1.00 0.00 H new ATOM 0 HG SER A 62 9.595 -8.790 3.948 1.00 0.00 H new ATOM 964 N VAL A 63 5.937 -10.148 0.646 1.00 0.00 N ATOM 965 CA VAL A 63 4.901 -11.163 0.548 1.00 0.00 C ATOM 966 C VAL A 63 5.115 -11.983 -0.726 1.00 0.00 C ATOM 967 O VAL A 63 5.032 -11.451 -1.832 1.00 0.00 O ATOM 968 CB VAL A 63 3.520 -10.509 0.614 1.00 0.00 C ATOM 969 CG1 VAL A 63 2.430 -11.483 0.163 1.00 0.00 C ATOM 970 CG2 VAL A 63 3.232 -9.975 2.018 1.00 0.00 C ATOM 0 H VAL A 63 5.620 -9.196 0.462 1.00 0.00 H new ATOM 0 HA VAL A 63 4.960 -11.852 1.391 1.00 0.00 H new ATOM 0 HB VAL A 63 3.518 -9.662 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.458 -10.993 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.621 -11.793 -0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.433 -12.359 0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.244 -9.515 2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.263 -10.797 2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.983 -9.232 2.286 1.00 0.00 H new ATOM 980 N ASP A 64 5.385 -13.265 -0.528 1.00 0.00 N ATOM 981 CA ASP A 64 5.611 -14.163 -1.647 1.00 0.00 C ATOM 982 C ASP A 64 4.270 -14.727 -2.122 1.00 0.00 C ATOM 983 O ASP A 64 3.422 -15.088 -1.309 1.00 0.00 O ATOM 984 CB ASP A 64 6.500 -15.339 -1.239 1.00 0.00 C ATOM 985 CG ASP A 64 6.498 -16.520 -2.211 1.00 0.00 C ATOM 986 OD1 ASP A 64 5.440 -17.181 -2.299 1.00 0.00 O ATOM 987 OD2 ASP A 64 7.553 -16.736 -2.845 1.00 0.00 O ATOM 0 H ASP A 64 5.452 -13.703 0.391 1.00 0.00 H new ATOM 0 HA ASP A 64 6.102 -13.597 -2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.523 -14.980 -1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.180 -15.694 -0.259 1.00 0.00 H new ATOM 992 N THR A 65 4.122 -14.784 -3.438 1.00 0.00 N ATOM 993 CA THR A 65 2.898 -15.297 -4.030 1.00 0.00 C ATOM 994 C THR A 65 3.038 -16.791 -4.332 1.00 0.00 C ATOM 995 O THR A 65 2.138 -17.575 -4.032 1.00 0.00 O ATOM 996 CB THR A 65 2.583 -14.455 -5.268 1.00 0.00 C ATOM 997 OG1 THR A 65 3.800 -14.458 -6.010 1.00 0.00 O ATOM 998 CG2 THR A 65 2.357 -12.980 -4.930 1.00 0.00 C ATOM 0 H THR A 65 4.828 -14.484 -4.110 1.00 0.00 H new ATOM 0 HA THR A 65 2.059 -15.213 -3.339 1.00 0.00 H new ATOM 0 HB THR A 65 1.698 -14.855 -5.763 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.684 -13.935 -6.831 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.137 -12.427 -5.843 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.518 -12.889 -4.240 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.255 -12.571 -4.466 1.00 0.00 H new ATOM 1006 N GLU A 66 4.172 -17.140 -4.921 1.00 0.00 N ATOM 1007 CA GLU A 66 4.441 -18.526 -5.265 1.00 0.00 C ATOM 1008 C GLU A 66 3.551 -18.965 -6.430 1.00 0.00 C ATOM 1009 O GLU A 66 3.019 -20.074 -6.425 1.00 0.00 O ATOM 1010 CB GLU A 66 4.248 -19.440 -4.054 1.00 0.00 C ATOM 1011 CG GLU A 66 5.505 -20.271 -3.789 1.00 0.00 C ATOM 1012 CD GLU A 66 5.141 -21.683 -3.326 1.00 0.00 C ATOM 1013 OE1 GLU A 66 4.672 -21.799 -2.174 1.00 0.00 O ATOM 1014 OE2 GLU A 66 5.340 -22.615 -4.136 1.00 0.00 O ATOM 0 H GLU A 66 4.915 -16.487 -5.169 1.00 0.00 H new ATOM 0 HA GLU A 66 5.482 -18.607 -5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.012 -18.840 -3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.399 -20.102 -4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.107 -20.326 -4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.116 -19.782 -3.030 1.00 0.00 H new ATOM 1021 N GLY A 67 3.417 -18.072 -7.400 1.00 0.00 N ATOM 1022 CA GLY A 67 2.601 -18.354 -8.569 1.00 0.00 C ATOM 1023 C GLY A 67 1.288 -19.031 -8.170 1.00 0.00 C ATOM 1024 O GLY A 67 1.009 -20.151 -8.596 1.00 0.00 O ATOM 0 H GLY A 67 3.860 -17.153 -7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.389 -17.427 -9.101 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.152 -18.997 -9.255 1.00 0.00 H new ATOM 1028 N LYS A 68 0.517 -18.324 -7.358 1.00 0.00 N ATOM 1029 CA LYS A 68 -0.760 -18.843 -6.898 1.00 0.00 C ATOM 1030 C LYS A 68 -1.894 -18.045 -7.546 1.00 0.00 C ATOM 1031 O LYS A 68 -2.995 -18.561 -7.727 1.00 0.00 O ATOM 1032 CB LYS A 68 -0.813 -18.856 -5.369 1.00 0.00 C ATOM 1033 CG LYS A 68 0.310 -19.717 -4.788 1.00 0.00 C ATOM 1034 CD LYS A 68 0.233 -19.763 -3.261 1.00 0.00 C ATOM 1035 CE LYS A 68 0.180 -21.206 -2.757 1.00 0.00 C ATOM 1036 NZ LYS A 68 -1.040 -21.882 -3.250 1.00 0.00 N ATOM 0 H LYS A 68 0.752 -17.396 -7.006 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.883 -19.881 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.728 -17.837 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.778 -19.240 -5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.242 -20.728 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.276 -19.316 -5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.099 -19.257 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.651 -19.223 -2.922 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.064 -21.748 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.194 -21.218 -1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.320 -22.625 -2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.809 -21.188 -3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.849 -22.308 -4.179 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.584 -16.800 -7.876 1.00 0.00 N ATOM 1051 CA GLY A 69 -2.563 -15.926 -8.500 1.00 0.00 C ATOM 1052 C GLY A 69 -3.304 -15.095 -7.450 1.00 0.00 C ATOM 1053 O GLY A 69 -3.228 -13.868 -7.458 1.00 0.00 O ATOM 0 H GLY A 69 -0.669 -16.376 -7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.065 -15.264 -9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.278 -16.521 -9.068 1.00 0.00 H new ATOM 1057 N ASP A 70 -4.004 -15.798 -6.572 1.00 0.00 N ATOM 1058 CA ASP A 70 -4.758 -15.141 -5.518 1.00 0.00 C ATOM 1059 C ASP A 70 -3.931 -13.987 -4.948 1.00 0.00 C ATOM 1060 O ASP A 70 -4.369 -12.838 -4.961 1.00 0.00 O ATOM 1061 CB ASP A 70 -5.068 -16.110 -4.376 1.00 0.00 C ATOM 1062 CG ASP A 70 -6.087 -17.202 -4.712 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -6.875 -16.971 -5.655 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -6.054 -18.241 -4.019 1.00 0.00 O ATOM 0 H ASP A 70 -4.065 -16.816 -6.569 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.692 -14.780 -5.947 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.139 -16.585 -4.061 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.438 -15.538 -3.525 1.00 0.00 H new ATOM 1069 N ILE A 71 -2.748 -14.334 -4.461 1.00 0.00 N ATOM 1070 CA ILE A 71 -1.855 -13.342 -3.887 1.00 0.00 C ATOM 1071 C ILE A 71 -1.273 -12.478 -5.007 1.00 0.00 C ATOM 1072 O ILE A 71 -1.376 -11.253 -4.968 1.00 0.00 O ATOM 1073 CB ILE A 71 -0.794 -14.017 -3.015 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -1.434 -15.006 -2.039 1.00 0.00 C ATOM 1075 CG2 ILE A 71 0.067 -12.977 -2.295 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -0.440 -16.097 -1.634 1.00 0.00 C ATOM 0 H ILE A 71 -2.388 -15.288 -4.452 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.403 -12.675 -3.222 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.132 -14.589 -3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.779 -14.475 -1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.311 -15.461 -2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.813 -13.483 -1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.568 -12.348 -3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.566 -12.358 -1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.920 -16.787 -0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.116 -16.641 -2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.425 -15.641 -1.152 1.00 0.00 H new ATOM 1088 N GLN A 72 -0.674 -13.150 -5.979 1.00 0.00 N ATOM 1089 CA GLN A 72 -0.075 -12.459 -7.108 1.00 0.00 C ATOM 1090 C GLN A 72 -0.962 -11.292 -7.548 1.00 0.00 C ATOM 1091 O GLN A 72 -0.470 -10.193 -7.798 1.00 0.00 O ATOM 1092 CB GLN A 72 0.179 -13.422 -8.269 1.00 0.00 C ATOM 1093 CG GLN A 72 1.639 -13.360 -8.724 1.00 0.00 C ATOM 1094 CD GLN A 72 1.735 -13.033 -10.215 1.00 0.00 C ATOM 1095 OE1 GLN A 72 1.498 -11.917 -10.649 1.00 0.00 O ATOM 1096 NE2 GLN A 72 2.093 -14.065 -10.974 1.00 0.00 N ATOM 0 H GLN A 72 -0.591 -14.166 -6.008 1.00 0.00 H new ATOM 0 HA GLN A 72 0.889 -12.059 -6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.067 -14.439 -7.963 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.477 -13.172 -9.103 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.172 -12.604 -8.147 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.126 -14.314 -8.525 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.277 -14.973 -10.547 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.184 -13.949 -11.983 1.00 0.00 H new ATOM 1105 N GLN A 73 -2.255 -11.572 -7.628 1.00 0.00 N ATOM 1106 CA GLN A 73 -3.215 -10.559 -8.033 1.00 0.00 C ATOM 1107 C GLN A 73 -3.305 -9.459 -6.974 1.00 0.00 C ATOM 1108 O GLN A 73 -3.089 -8.285 -7.273 1.00 0.00 O ATOM 1109 CB GLN A 73 -4.588 -11.181 -8.296 1.00 0.00 C ATOM 1110 CG GLN A 73 -4.925 -11.154 -9.789 1.00 0.00 C ATOM 1111 CD GLN A 73 -6.434 -11.276 -10.012 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -7.082 -12.204 -9.558 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -6.955 -10.289 -10.736 1.00 0.00 N ATOM 0 H GLN A 73 -2.660 -12.485 -7.419 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.870 -10.111 -8.965 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.601 -12.209 -7.935 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.350 -10.638 -7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.562 -10.226 -10.231 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.411 -11.971 -10.296 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.355 -9.542 -11.086 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.954 -10.279 -10.941 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.625 -9.877 -5.758 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.746 -8.942 -4.653 1.00 0.00 C ATOM 1124 C ALA A 74 -2.446 -8.145 -4.519 1.00 0.00 C ATOM 1125 O ALA A 74 -2.419 -6.946 -4.790 1.00 0.00 O ATOM 1126 CB ALA A 74 -4.096 -9.705 -3.374 1.00 0.00 C ATOM 0 H ALA A 74 -3.804 -10.851 -5.514 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.551 -8.231 -4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.187 -9.003 -2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.042 -10.230 -3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.309 -10.427 -3.154 1.00 0.00 H new ATOM 1132 N ARG A 75 -1.401 -8.845 -4.103 1.00 0.00 N ATOM 1133 CA ARG A 75 -0.101 -8.218 -3.930 1.00 0.00 C ATOM 1134 C ARG A 75 0.147 -7.198 -5.043 1.00 0.00 C ATOM 1135 O ARG A 75 0.264 -6.002 -4.779 1.00 0.00 O ATOM 1136 CB ARG A 75 1.019 -9.260 -3.943 1.00 0.00 C ATOM 1137 CG ARG A 75 2.293 -8.703 -3.306 1.00 0.00 C ATOM 1138 CD ARG A 75 3.537 -9.376 -3.889 1.00 0.00 C ATOM 1139 NE ARG A 75 4.508 -8.350 -4.330 1.00 0.00 N ATOM 1140 CZ ARG A 75 4.484 -7.760 -5.534 1.00 0.00 C ATOM 1141 NH1 ARG A 75 3.538 -8.091 -6.423 1.00 0.00 N ATOM 1142 NH2 ARG A 75 5.405 -6.839 -5.848 1.00 0.00 N ATOM 0 H ARG A 75 -1.428 -9.840 -3.881 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.101 -7.714 -2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.698 -10.151 -3.403 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.225 -9.565 -4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.346 -7.627 -3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.263 -8.859 -2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.994 -10.024 -3.141 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.257 -10.009 -4.731 1.00 0.00 H new ATOM 0 HE ARG A 75 5.242 -8.074 -3.677 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.836 -8.792 -6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.519 -7.642 -7.339 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.125 -6.586 -5.171 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.386 -6.391 -6.764 1.00 0.00 H new ATOM 1156 N LYS A 76 0.221 -7.707 -6.264 1.00 0.00 N ATOM 1157 CA LYS A 76 0.454 -6.855 -7.418 1.00 0.00 C ATOM 1158 C LYS A 76 -0.351 -5.564 -7.263 1.00 0.00 C ATOM 1159 O LYS A 76 0.217 -4.472 -7.246 1.00 0.00 O ATOM 1160 CB LYS A 76 0.157 -7.614 -8.713 1.00 0.00 C ATOM 1161 CG LYS A 76 0.051 -6.654 -9.899 1.00 0.00 C ATOM 1162 CD LYS A 76 0.274 -7.389 -11.222 1.00 0.00 C ATOM 1163 CE LYS A 76 -0.877 -7.127 -12.196 1.00 0.00 C ATOM 1164 NZ LYS A 76 -1.286 -8.382 -12.865 1.00 0.00 N ATOM 0 H LYS A 76 0.124 -8.699 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 76 1.505 -6.571 -7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.945 -8.343 -8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.774 -8.171 -8.607 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.931 -6.182 -9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.787 -5.857 -9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.214 -7.064 -11.668 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.362 -8.460 -11.037 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.725 -6.701 -11.660 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.570 -6.394 -12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.068 -8.186 -13.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.480 -8.773 -13.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.598 -9.070 -12.151 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.661 -5.730 -7.155 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.549 -4.590 -7.003 1.00 0.00 C ATOM 1180 C ARG A 77 -2.113 -3.732 -5.814 1.00 0.00 C ATOM 1181 O ARG A 77 -1.992 -2.514 -5.934 1.00 0.00 O ATOM 1182 CB ARG A 77 -3.995 -5.044 -6.792 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.566 -5.668 -8.068 1.00 0.00 C ATOM 1184 CD ARG A 77 -5.398 -4.650 -8.851 1.00 0.00 C ATOM 1185 NE ARG A 77 -5.531 -5.083 -10.260 1.00 0.00 N ATOM 1186 CZ ARG A 77 -6.443 -5.964 -10.692 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -7.308 -6.512 -9.828 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -6.490 -6.297 -11.989 1.00 0.00 N ATOM 0 H ARG A 77 -2.129 -6.636 -7.170 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.494 -4.002 -7.919 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.037 -5.768 -5.978 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.607 -4.193 -6.494 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.752 -6.036 -8.693 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.184 -6.528 -7.811 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.384 -4.549 -8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.924 -3.669 -8.806 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.888 -4.686 -10.945 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.272 -6.258 -8.841 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.002 -7.183 -10.158 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.832 -5.880 -12.647 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.184 -6.968 -12.318 1.00 0.00 H new ATOM 1202 N ALA A 78 -1.889 -4.401 -4.692 1.00 0.00 N ATOM 1203 CA ALA A 78 -1.469 -3.715 -3.482 1.00 0.00 C ATOM 1204 C ALA A 78 -0.233 -2.866 -3.786 1.00 0.00 C ATOM 1205 O ALA A 78 -0.204 -1.675 -3.481 1.00 0.00 O ATOM 1206 CB ALA A 78 -1.214 -4.741 -2.376 1.00 0.00 C ATOM 0 H ALA A 78 -1.991 -5.411 -4.596 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.252 -3.044 -3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.899 -4.227 -1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.130 -5.298 -2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.431 -5.430 -2.693 1.00 0.00 H new ATOM 1212 N ALA A 79 0.758 -3.512 -4.383 1.00 0.00 N ATOM 1213 CA ALA A 79 1.993 -2.831 -4.731 1.00 0.00 C ATOM 1214 C ALA A 79 1.665 -1.554 -5.508 1.00 0.00 C ATOM 1215 O ALA A 79 2.302 -0.521 -5.308 1.00 0.00 O ATOM 1216 CB ALA A 79 2.894 -3.781 -5.524 1.00 0.00 C ATOM 0 H ALA A 79 0.730 -4.500 -4.634 1.00 0.00 H new ATOM 0 HA ALA A 79 2.537 -2.540 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.821 -3.270 -5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.121 -4.658 -4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.382 -4.092 -6.435 1.00 0.00 H new ATOM 1222 N GLN A 80 0.671 -1.667 -6.377 1.00 0.00 N ATOM 1223 CA GLN A 80 0.251 -0.535 -7.184 1.00 0.00 C ATOM 1224 C GLN A 80 -0.545 0.457 -6.333 1.00 0.00 C ATOM 1225 O GLN A 80 -0.328 1.665 -6.417 1.00 0.00 O ATOM 1226 CB GLN A 80 -0.563 -0.996 -8.394 1.00 0.00 C ATOM 1227 CG GLN A 80 0.318 -1.748 -9.394 1.00 0.00 C ATOM 1228 CD GLN A 80 -0.429 -1.993 -10.707 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -0.827 -3.101 -11.027 1.00 0.00 O ATOM 1230 NE2 GLN A 80 -0.595 -0.901 -11.446 1.00 0.00 N ATOM 0 H GLN A 80 0.145 -2.525 -6.539 1.00 0.00 H new ATOM 0 HA GLN A 80 1.142 -0.030 -7.558 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.377 -1.641 -8.064 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -1.017 -0.133 -8.881 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.224 -1.175 -9.589 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.629 -2.701 -8.965 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.236 -0.004 -11.118 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.081 -0.960 -12.341 1.00 0.00 H new ATOM 1239 N GLU A 81 -1.449 -0.090 -5.534 1.00 0.00 N ATOM 1240 CA GLU A 81 -2.278 0.732 -4.669 1.00 0.00 C ATOM 1241 C GLU A 81 -1.404 1.548 -3.715 1.00 0.00 C ATOM 1242 O GLU A 81 -1.551 2.766 -3.621 1.00 0.00 O ATOM 1243 CB GLU A 81 -3.281 -0.125 -3.895 1.00 0.00 C ATOM 1244 CG GLU A 81 -4.664 0.528 -3.880 1.00 0.00 C ATOM 1245 CD GLU A 81 -5.266 0.506 -2.473 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.167 -0.561 -1.831 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.811 1.557 -2.073 1.00 0.00 O ATOM 0 H GLU A 81 -1.626 -1.092 -5.467 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.845 1.423 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.347 -1.114 -4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.931 -0.267 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.588 1.557 -4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.325 0.004 -4.570 1.00 0.00 H new ATOM 1254 N THR A 82 -0.513 0.845 -3.031 1.00 0.00 N ATOM 1255 CA THR A 82 0.385 1.489 -2.088 1.00 0.00 C ATOM 1256 C THR A 82 1.143 2.631 -2.768 1.00 0.00 C ATOM 1257 O THR A 82 1.100 3.771 -2.307 1.00 0.00 O ATOM 1258 CB THR A 82 1.303 0.416 -1.500 1.00 0.00 C ATOM 1259 OG1 THR A 82 0.413 -0.479 -0.840 1.00 0.00 O ATOM 1260 CG2 THR A 82 2.191 0.955 -0.377 1.00 0.00 C ATOM 0 H THR A 82 -0.394 -0.165 -3.111 1.00 0.00 H new ATOM 0 HA THR A 82 -0.167 1.949 -1.268 1.00 0.00 H new ATOM 0 HB THR A 82 1.929 0.002 -2.290 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.071 -1.134 -1.484 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.822 0.153 0.005 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.819 1.758 -0.763 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.566 1.339 0.429 1.00 0.00 H new ATOM 1268 N GLU A 83 1.819 2.286 -3.853 1.00 0.00 N ATOM 1269 CA GLU A 83 2.586 3.268 -4.601 1.00 0.00 C ATOM 1270 C GLU A 83 1.694 4.447 -4.998 1.00 0.00 C ATOM 1271 O GLU A 83 2.007 5.597 -4.693 1.00 0.00 O ATOM 1272 CB GLU A 83 3.236 2.634 -5.832 1.00 0.00 C ATOM 1273 CG GLU A 83 4.248 1.561 -5.426 1.00 0.00 C ATOM 1274 CD GLU A 83 5.654 2.153 -5.299 1.00 0.00 C ATOM 1275 OE1 GLU A 83 6.095 2.783 -6.284 1.00 0.00 O ATOM 1276 OE2 GLU A 83 6.255 1.961 -4.220 1.00 0.00 O ATOM 0 H GLU A 83 1.852 1.340 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 83 3.385 3.641 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.468 2.193 -6.467 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.734 3.404 -6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.950 1.116 -4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.252 0.761 -6.166 1.00 0.00 H new ATOM 1283 N ARG A 84 0.602 4.120 -5.672 1.00 0.00 N ATOM 1284 CA ARG A 84 -0.337 5.138 -6.114 1.00 0.00 C ATOM 1285 C ARG A 84 -0.493 6.218 -5.041 1.00 0.00 C ATOM 1286 O ARG A 84 -0.320 7.404 -5.320 1.00 0.00 O ATOM 1287 CB ARG A 84 -1.707 4.529 -6.417 1.00 0.00 C ATOM 1288 CG ARG A 84 -2.074 4.709 -7.891 1.00 0.00 C ATOM 1289 CD ARG A 84 -2.673 3.425 -8.469 1.00 0.00 C ATOM 1290 NE ARG A 84 -4.148 3.528 -8.510 1.00 0.00 N ATOM 1291 CZ ARG A 84 -4.967 2.497 -8.757 1.00 0.00 C ATOM 1292 NH1 ARG A 84 -4.459 1.278 -8.986 1.00 0.00 N ATOM 1293 NH2 ARG A 84 -6.294 2.684 -8.774 1.00 0.00 N ATOM 0 H ARG A 84 0.346 3.165 -5.923 1.00 0.00 H new ATOM 0 HA ARG A 84 0.061 5.582 -7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.700 3.468 -6.167 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.465 4.999 -5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.788 5.526 -7.994 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.186 4.988 -8.459 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.284 3.252 -9.473 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.377 2.570 -7.861 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.568 4.442 -8.339 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.449 1.136 -8.972 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.082 0.493 -9.174 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.681 3.612 -8.599 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.917 1.899 -8.962 1.00 0.00 H new ATOM 1307 N LEU A 85 -0.817 5.769 -3.838 1.00 0.00 N ATOM 1308 CA LEU A 85 -0.997 6.682 -2.722 1.00 0.00 C ATOM 1309 C LEU A 85 0.288 7.486 -2.513 1.00 0.00 C ATOM 1310 O LEU A 85 0.258 8.715 -2.482 1.00 0.00 O ATOM 1311 CB LEU A 85 -1.457 5.922 -1.476 1.00 0.00 C ATOM 1312 CG LEU A 85 -2.954 5.984 -1.168 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -3.374 7.399 -0.765 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -3.779 5.454 -2.343 1.00 0.00 C ATOM 0 H LEU A 85 -0.960 4.785 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.789 7.398 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.172 4.876 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.913 6.311 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.153 5.334 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.443 7.414 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.822 7.703 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.157 8.089 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.839 5.509 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.580 6.057 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.506 4.417 -2.541 1.00 0.00 H new ATOM 1326 N LEU A 86 1.387 6.758 -2.374 1.00 0.00 N ATOM 1327 CA LEU A 86 2.680 7.388 -2.169 1.00 0.00 C ATOM 1328 C LEU A 86 2.821 8.577 -3.121 1.00 0.00 C ATOM 1329 O LEU A 86 3.224 9.663 -2.708 1.00 0.00 O ATOM 1330 CB LEU A 86 3.804 6.358 -2.300 1.00 0.00 C ATOM 1331 CG LEU A 86 4.687 6.167 -1.065 1.00 0.00 C ATOM 1332 CD1 LEU A 86 5.608 4.957 -1.232 1.00 0.00 C ATOM 1333 CD2 LEU A 86 5.468 7.443 -0.747 1.00 0.00 C ATOM 0 H LEU A 86 1.408 5.739 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 86 2.756 7.781 -1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.360 5.396 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.441 6.649 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 86 4.041 5.964 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.225 4.844 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.007 4.059 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.250 5.105 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.087 7.280 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.103 7.701 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.770 8.258 -0.555 1.00 0.00 H new ATOM 1345 N LYS A 87 2.480 8.331 -4.378 1.00 0.00 N ATOM 1346 CA LYS A 87 2.563 9.368 -5.392 1.00 0.00 C ATOM 1347 C LYS A 87 1.764 10.590 -4.933 1.00 0.00 C ATOM 1348 O LYS A 87 2.326 11.668 -4.745 1.00 0.00 O ATOM 1349 CB LYS A 87 2.125 8.823 -6.753 1.00 0.00 C ATOM 1350 CG LYS A 87 3.144 7.820 -7.296 1.00 0.00 C ATOM 1351 CD LYS A 87 4.244 8.530 -8.088 1.00 0.00 C ATOM 1352 CE LYS A 87 5.267 7.527 -8.625 1.00 0.00 C ATOM 1353 NZ LYS A 87 5.087 7.333 -10.082 1.00 0.00 N ATOM 0 H LYS A 87 2.146 7.429 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 87 3.596 9.692 -5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.151 8.343 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 87 2.009 9.646 -7.458 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.587 7.263 -6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.641 7.095 -7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.801 9.083 -8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.744 9.259 -7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.277 7.884 -8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.156 6.573 -8.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.789 6.649 -10.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.130 6.972 -10.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.216 8.241 -10.572 1.00 0.00 H new ATOM 1367 N GLU A 88 0.467 10.380 -4.766 1.00 0.00 N ATOM 1368 CA GLU A 88 -0.414 11.451 -4.332 1.00 0.00 C ATOM 1369 C GLU A 88 0.262 12.288 -3.244 1.00 0.00 C ATOM 1370 O GLU A 88 0.221 13.516 -3.286 1.00 0.00 O ATOM 1371 CB GLU A 88 -1.753 10.895 -3.843 1.00 0.00 C ATOM 1372 CG GLU A 88 -2.543 10.273 -4.996 1.00 0.00 C ATOM 1373 CD GLU A 88 -3.437 11.315 -5.673 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -2.865 12.261 -6.255 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -4.672 11.140 -5.592 1.00 0.00 O ATOM 0 H GLU A 88 0.005 9.484 -4.923 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.616 12.097 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.579 10.146 -3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.337 11.694 -3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.854 9.850 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.155 9.452 -4.621 1.00 0.00 H new ATOM 1382 N LEU A 89 0.869 11.589 -2.296 1.00 0.00 N ATOM 1383 CA LEU A 89 1.553 12.252 -1.200 1.00 0.00 C ATOM 1384 C LEU A 89 2.453 13.356 -1.759 1.00 0.00 C ATOM 1385 O LEU A 89 2.332 14.517 -1.371 1.00 0.00 O ATOM 1386 CB LEU A 89 2.297 11.231 -0.336 1.00 0.00 C ATOM 1387 CG LEU A 89 2.533 11.630 1.122 1.00 0.00 C ATOM 1388 CD1 LEU A 89 1.271 12.243 1.733 1.00 0.00 C ATOM 1389 CD2 LEU A 89 3.048 10.444 1.939 1.00 0.00 C ATOM 0 H LEU A 89 0.901 10.570 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 89 0.833 12.732 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.737 10.296 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.264 11.030 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 89 3.308 12.397 1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.465 12.518 2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.988 13.132 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.459 11.517 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.207 10.755 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.315 9.638 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.989 10.093 1.517 1.00 0.00 H new ATOM 1401 N GLU A 90 3.337 12.954 -2.661 1.00 0.00 N ATOM 1402 CA GLU A 90 4.257 13.895 -3.277 1.00 0.00 C ATOM 1403 C GLU A 90 3.531 15.195 -3.628 1.00 0.00 C ATOM 1404 O GLU A 90 3.907 16.267 -3.155 1.00 0.00 O ATOM 1405 CB GLU A 90 4.918 13.285 -4.515 1.00 0.00 C ATOM 1406 CG GLU A 90 5.909 12.188 -4.123 1.00 0.00 C ATOM 1407 CD GLU A 90 7.009 12.040 -5.176 1.00 0.00 C ATOM 1408 OE1 GLU A 90 6.642 11.909 -6.364 1.00 0.00 O ATOM 1409 OE2 GLU A 90 8.190 12.060 -4.770 1.00 0.00 O ATOM 0 H GLU A 90 3.435 11.990 -2.980 1.00 0.00 H new ATOM 0 HA GLU A 90 5.045 14.124 -2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.154 12.871 -5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.435 14.063 -5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.355 12.424 -3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.382 11.241 -4.007 1.00 0.00 H new ATOM 1416 N GLN A 91 2.504 15.058 -4.453 1.00 0.00 N ATOM 1417 CA GLN A 91 1.722 16.209 -4.872 1.00 0.00 C ATOM 1418 C GLN A 91 0.984 16.814 -3.676 1.00 0.00 C ATOM 1419 O GLN A 91 1.203 17.973 -3.329 1.00 0.00 O ATOM 1420 CB GLN A 91 0.744 15.830 -5.986 1.00 0.00 C ATOM 1421 CG GLN A 91 1.292 16.230 -7.357 1.00 0.00 C ATOM 1422 CD GLN A 91 0.705 15.348 -8.461 1.00 0.00 C ATOM 1423 OE1 GLN A 91 0.786 14.131 -8.428 1.00 0.00 O ATOM 1424 NE2 GLN A 91 0.111 16.028 -9.438 1.00 0.00 N ATOM 0 H GLN A 91 2.195 14.168 -4.843 1.00 0.00 H new ATOM 0 HA GLN A 91 2.403 16.961 -5.271 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.560 14.756 -5.963 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.214 16.321 -5.816 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.055 17.275 -7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.379 16.144 -7.357 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.079 17.047 -9.404 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -0.312 15.530 -10.221 1.00 0.00 H new ATOM 1433 N ASN A 92 0.125 16.001 -3.079 1.00 0.00 N ATOM 1434 CA ASN A 92 -0.647 16.441 -1.930 1.00 0.00 C ATOM 1435 C ASN A 92 0.245 17.284 -1.015 1.00 0.00 C ATOM 1436 O ASN A 92 -0.184 18.318 -0.506 1.00 0.00 O ATOM 1437 CB ASN A 92 -1.160 15.248 -1.121 1.00 0.00 C ATOM 1438 CG ASN A 92 -2.672 15.083 -1.286 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -3.469 15.712 -0.610 1.00 0.00 O ATOM 1440 ND2 ASN A 92 -3.021 14.204 -2.221 1.00 0.00 N ATOM 0 H ASN A 92 -0.053 15.040 -3.370 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.495 17.020 -2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.654 14.339 -1.446 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.919 15.388 -0.067 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.007 14.023 -2.408 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.302 13.711 -2.751 1.00 0.00 H new ATOM 1447 N ALA A 93 1.469 16.811 -0.836 1.00 0.00 N ATOM 1448 CA ALA A 93 2.424 17.508 0.008 1.00 0.00 C ATOM 1449 C ALA A 93 2.293 19.015 -0.218 1.00 0.00 C ATOM 1450 O ALA A 93 1.687 19.718 0.590 1.00 0.00 O ATOM 1451 CB ALA A 93 3.835 16.995 -0.286 1.00 0.00 C ATOM 0 H ALA A 93 1.822 15.953 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 93 2.219 17.313 1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.552 17.518 0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.883 15.925 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 93 4.077 17.176 -1.333 1.00 0.00 H new ATOM 1457 N SER A 94 2.872 19.468 -1.321 1.00 0.00 N ATOM 1458 CA SER A 94 2.827 20.880 -1.664 1.00 0.00 C ATOM 1459 C SER A 94 3.559 21.120 -2.986 1.00 0.00 C ATOM 1460 O SER A 94 3.109 21.912 -3.813 1.00 0.00 O ATOM 1461 CB SER A 94 3.441 21.736 -0.554 1.00 0.00 C ATOM 1462 OG SER A 94 2.883 23.046 -0.520 1.00 0.00 O ATOM 0 H SER A 94 3.374 18.883 -1.988 1.00 0.00 H new ATOM 0 HA SER A 94 1.783 21.172 -1.776 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.283 21.249 0.408 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.519 21.805 -0.703 1.00 0.00 H new ATOM 0 HG SER A 94 3.300 23.560 0.203 1.00 0.00 H new