USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 761 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 97 TYR OH : rot 73:sc= 1.58 USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= 0.953 USER MOD Set 2.1: A 18 MET CE :methyl 169:sc= -1.85 (180deg=-2.5) USER MOD Set 2.2: A 93 TYR OH : rot 150:sc= 0 USER MOD Single : A 14 THR OG1 : rot -153:sc= -0.0189 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.247 USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.18) USER MOD Single : A 26 LYS NZ :NH3+ -134:sc= 1.01 (180deg=0.126) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.683 F(o=-1.6,f=-0.68) USER MOD Single : A 32 TYR OH : rot 123:sc= 0.204 USER MOD Single : A 35 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.27) USER MOD Single : A 37 TYR OH : rot 148:sc= 0.139 USER MOD Single : A 38 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.17) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= 2.09 (180deg=2.03) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.15) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 179:sc= -0.476 (180deg=-0.484) USER MOD Single : A 95 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.579) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 53:sc= 0.0688 USER MOD Single : A 114 ASN : amide:sc= -0.407 K(o=-0.41,f=-1.5) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 14 9.147 -8.112 -1.918 1.00 0.00 N ATOM 181 CA THR A 14 7.846 -8.519 -1.415 1.00 0.00 C ATOM 182 C THR A 14 7.123 -9.316 -2.510 1.00 0.00 C ATOM 183 O THR A 14 6.416 -10.276 -2.198 1.00 0.00 O ATOM 184 CB THR A 14 7.045 -7.320 -0.874 1.00 0.00 C ATOM 185 OG1 THR A 14 6.018 -7.894 -0.106 1.00 0.00 O ATOM 186 CG2 THR A 14 6.480 -6.370 -1.935 1.00 0.00 C ATOM 0 HA THR A 14 7.962 -9.176 -0.553 1.00 0.00 H new ATOM 0 HB THR A 14 7.709 -6.670 -0.304 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.245 -7.291 -0.090 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.935 -5.562 -1.447 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.298 -5.953 -2.522 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.805 -6.918 -2.592 1.00 0.00 H new ATOM 194 N SER A 15 7.332 -8.926 -3.775 1.00 0.00 N ATOM 195 CA SER A 15 6.758 -9.519 -4.980 1.00 0.00 C ATOM 196 C SER A 15 5.243 -9.754 -4.869 1.00 0.00 C ATOM 197 O SER A 15 4.686 -10.676 -5.473 1.00 0.00 O ATOM 198 CB SER A 15 7.621 -10.705 -5.453 1.00 0.00 C ATOM 199 OG SER A 15 7.880 -11.657 -4.434 1.00 0.00 O ATOM 0 H SER A 15 7.944 -8.140 -3.992 1.00 0.00 H new ATOM 0 HA SER A 15 6.803 -8.802 -5.800 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.119 -11.201 -6.284 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.569 -10.325 -5.834 1.00 0.00 H new ATOM 0 HG SER A 15 8.429 -12.383 -4.797 1.00 0.00 H new ATOM 205 N GLU A 16 4.569 -8.910 -4.084 1.00 0.00 N ATOM 206 CA GLU A 16 3.139 -8.912 -3.817 1.00 0.00 C ATOM 207 C GLU A 16 2.533 -7.662 -4.455 1.00 0.00 C ATOM 208 O GLU A 16 3.262 -6.759 -4.870 1.00 0.00 O ATOM 209 CB GLU A 16 2.884 -9.073 -2.304 1.00 0.00 C ATOM 210 CG GLU A 16 2.840 -7.824 -1.419 1.00 0.00 C ATOM 211 CD GLU A 16 2.774 -8.197 0.073 1.00 0.00 C ATOM 212 OE1 GLU A 16 1.890 -8.978 0.500 1.00 0.00 O ATOM 213 OE2 GLU A 16 3.554 -7.637 0.878 1.00 0.00 O ATOM 0 H GLU A 16 5.046 -8.158 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 16 2.636 -9.766 -4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.934 -9.594 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.659 -9.729 -1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.723 -7.213 -1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.973 -7.219 -1.683 1.00 0.00 H new ATOM 220 N THR A 17 1.209 -7.605 -4.533 1.00 0.00 N ATOM 221 CA THR A 17 0.466 -6.501 -5.122 1.00 0.00 C ATOM 222 C THR A 17 -0.366 -5.822 -4.028 1.00 0.00 C ATOM 223 O THR A 17 -0.518 -6.356 -2.923 1.00 0.00 O ATOM 224 CB THR A 17 -0.357 -7.082 -6.292 1.00 0.00 C ATOM 225 OG1 THR A 17 -1.007 -6.093 -7.069 1.00 0.00 O ATOM 226 CG2 THR A 17 -1.404 -8.080 -5.796 1.00 0.00 C ATOM 0 H THR A 17 0.607 -8.348 -4.178 1.00 0.00 H new ATOM 0 HA THR A 17 1.105 -5.718 -5.530 1.00 0.00 H new ATOM 0 HB THR A 17 0.371 -7.585 -6.928 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.509 -6.523 -7.793 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.966 -8.470 -6.645 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.908 -8.902 -5.281 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.086 -7.580 -5.108 1.00 0.00 H new ATOM 234 N MET A 18 -0.944 -4.655 -4.331 1.00 0.00 N ATOM 235 CA MET A 18 -1.779 -3.916 -3.393 1.00 0.00 C ATOM 236 C MET A 18 -2.949 -4.779 -2.917 1.00 0.00 C ATOM 237 O MET A 18 -3.319 -4.698 -1.745 1.00 0.00 O ATOM 238 CB MET A 18 -2.275 -2.625 -4.060 1.00 0.00 C ATOM 239 CG MET A 18 -1.192 -1.541 -3.990 1.00 0.00 C ATOM 240 SD MET A 18 -1.496 -0.204 -2.809 1.00 0.00 S ATOM 241 CE MET A 18 -1.942 -1.147 -1.331 1.00 0.00 C ATOM 0 H MET A 18 -0.842 -4.199 -5.238 1.00 0.00 H new ATOM 0 HA MET A 18 -1.190 -3.652 -2.515 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.536 -2.822 -5.100 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.181 -2.276 -3.565 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.244 -2.016 -3.737 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.075 -1.105 -4.982 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.968 -0.481 -0.469 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.924 -1.599 -1.470 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.203 -1.930 -1.162 1.00 0.00 H new ATOM 251 N GLU A 19 -3.516 -5.618 -3.792 1.00 0.00 N ATOM 252 CA GLU A 19 -4.623 -6.483 -3.411 1.00 0.00 C ATOM 253 C GLU A 19 -4.193 -7.472 -2.329 1.00 0.00 C ATOM 254 O GLU A 19 -4.960 -7.664 -1.393 1.00 0.00 O ATOM 255 CB GLU A 19 -5.220 -7.242 -4.606 1.00 0.00 C ATOM 256 CG GLU A 19 -6.213 -6.366 -5.379 1.00 0.00 C ATOM 257 CD GLU A 19 -7.205 -7.180 -6.220 1.00 0.00 C ATOM 258 OE1 GLU A 19 -7.925 -8.032 -5.646 1.00 0.00 O ATOM 259 OE2 GLU A 19 -7.376 -6.877 -7.422 1.00 0.00 O ATOM 0 H GLU A 19 -3.223 -5.711 -4.764 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.402 -5.831 -3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.420 -7.564 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.723 -8.143 -4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.767 -5.746 -4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.661 -5.691 -6.032 1.00 0.00 H new ATOM 266 N SER A 20 -2.995 -8.064 -2.406 1.00 0.00 N ATOM 267 CA SER A 20 -2.526 -9.024 -1.412 1.00 0.00 C ATOM 268 C SER A 20 -2.451 -8.383 -0.030 1.00 0.00 C ATOM 269 O SER A 20 -2.680 -9.046 0.983 1.00 0.00 O ATOM 270 CB SER A 20 -1.143 -9.564 -1.792 1.00 0.00 C ATOM 271 OG SER A 20 -1.095 -9.975 -3.142 1.00 0.00 O ATOM 0 H SER A 20 -2.329 -7.889 -3.158 1.00 0.00 H new ATOM 0 HA SER A 20 -3.240 -9.847 -1.386 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.392 -8.793 -1.619 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.891 -10.405 -1.146 1.00 0.00 H new ATOM 0 HG SER A 20 -0.198 -10.312 -3.350 1.00 0.00 H new ATOM 277 N LEU A 21 -2.134 -7.086 0.021 1.00 0.00 N ATOM 278 CA LEU A 21 -2.040 -6.395 1.290 1.00 0.00 C ATOM 279 C LEU A 21 -3.424 -6.264 1.892 1.00 0.00 C ATOM 280 O LEU A 21 -3.684 -6.726 3.000 1.00 0.00 O ATOM 281 CB LEU A 21 -1.466 -4.977 1.110 1.00 0.00 C ATOM 282 CG LEU A 21 -0.106 -4.869 0.424 1.00 0.00 C ATOM 283 CD1 LEU A 21 0.479 -3.513 0.770 1.00 0.00 C ATOM 284 CD2 LEU A 21 0.862 -5.945 0.863 1.00 0.00 C ATOM 0 H LEU A 21 -1.942 -6.507 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.381 -6.972 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.184 -4.390 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.388 -4.514 2.094 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.256 -4.993 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.453 -3.405 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.188 -2.728 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.593 -3.431 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.810 -5.816 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.026 -5.870 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.448 -6.925 0.626 1.00 0.00 H new ATOM 296 N ILE A 22 -4.341 -5.687 1.131 1.00 0.00 N ATOM 297 CA ILE A 22 -5.702 -5.454 1.558 1.00 0.00 C ATOM 298 C ILE A 22 -6.381 -6.772 1.926 1.00 0.00 C ATOM 299 O ILE A 22 -7.040 -6.840 2.962 1.00 0.00 O ATOM 300 CB ILE A 22 -6.442 -4.762 0.405 1.00 0.00 C ATOM 301 CG1 ILE A 22 -5.827 -3.396 0.051 1.00 0.00 C ATOM 302 CG2 ILE A 22 -7.909 -4.610 0.793 1.00 0.00 C ATOM 303 CD1 ILE A 22 -6.273 -2.955 -1.340 1.00 0.00 C ATOM 0 H ILE A 22 -4.151 -5.363 0.182 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.719 -4.822 2.446 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.350 -5.380 -0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.128 -2.652 0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.739 -3.459 0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.450 -4.119 -0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.341 -5.594 0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.985 -4.008 1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.829 -1.987 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.949 -3.691 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.360 -2.871 -1.364 1.00 0.00 H new ATOM 315 N ASP A 23 -6.210 -7.797 1.095 1.00 0.00 N ATOM 316 CA ASP A 23 -6.771 -9.134 1.244 1.00 0.00 C ATOM 317 C ASP A 23 -6.429 -9.735 2.605 1.00 0.00 C ATOM 318 O ASP A 23 -7.251 -10.450 3.186 1.00 0.00 O ATOM 319 CB ASP A 23 -6.252 -10.008 0.093 1.00 0.00 C ATOM 320 CG ASP A 23 -6.667 -11.469 0.190 1.00 0.00 C ATOM 321 OD1 ASP A 23 -7.876 -11.766 0.308 1.00 0.00 O ATOM 322 OD2 ASP A 23 -5.791 -12.353 0.095 1.00 0.00 O ATOM 0 H ASP A 23 -5.643 -7.710 0.251 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.859 -9.082 1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.614 -9.600 -0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.164 -9.951 0.069 1.00 0.00 H new ATOM 327 N LYS A 24 -5.241 -9.430 3.140 1.00 0.00 N ATOM 328 CA LYS A 24 -4.834 -9.941 4.450 1.00 0.00 C ATOM 329 C LYS A 24 -5.126 -8.927 5.554 1.00 0.00 C ATOM 330 O LYS A 24 -5.122 -9.297 6.723 1.00 0.00 O ATOM 331 CB LYS A 24 -3.334 -10.319 4.404 1.00 0.00 C ATOM 332 CG LYS A 24 -2.358 -9.306 5.037 1.00 0.00 C ATOM 333 CD LYS A 24 -2.097 -9.568 6.546 1.00 0.00 C ATOM 334 CE LYS A 24 -2.305 -8.337 7.454 1.00 0.00 C ATOM 335 NZ LYS A 24 -3.255 -8.561 8.560 1.00 0.00 N ATOM 0 H LYS A 24 -4.548 -8.834 2.687 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.414 -10.833 4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.207 -11.278 4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.049 -10.465 3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.410 -9.340 4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.758 -8.300 4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.757 -10.368 6.883 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.075 -9.926 6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.343 -8.038 7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.661 -7.506 6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.394 -7.673 9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.166 -8.882 8.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.876 -9.286 9.202 1.00 0.00 H new ATOM 349 N GLY A 25 -5.429 -7.676 5.211 1.00 0.00 N ATOM 350 CA GLY A 25 -5.702 -6.615 6.159 1.00 0.00 C ATOM 351 C GLY A 25 -4.453 -5.789 6.467 1.00 0.00 C ATOM 352 O GLY A 25 -4.204 -5.450 7.619 1.00 0.00 O ATOM 0 H GLY A 25 -5.491 -7.372 4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.479 -5.963 5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.090 -7.045 7.083 1.00 0.00 H new ATOM 356 N LYS A 26 -3.611 -5.515 5.465 1.00 0.00 N ATOM 357 CA LYS A 26 -2.395 -4.709 5.597 1.00 0.00 C ATOM 358 C LYS A 26 -2.765 -3.304 5.117 1.00 0.00 C ATOM 359 O LYS A 26 -2.410 -2.915 4.004 1.00 0.00 O ATOM 360 CB LYS A 26 -1.200 -5.292 4.805 1.00 0.00 C ATOM 361 CG LYS A 26 -0.340 -6.284 5.587 1.00 0.00 C ATOM 362 CD LYS A 26 0.935 -6.714 4.849 1.00 0.00 C ATOM 363 CE LYS A 26 0.715 -7.944 3.955 1.00 0.00 C ATOM 364 NZ LYS A 26 1.938 -8.412 3.276 1.00 0.00 N ATOM 0 H LYS A 26 -3.761 -5.857 4.516 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.056 -4.699 6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.580 -5.787 3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.568 -4.470 4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.063 -5.837 6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.935 -7.169 5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.294 -5.885 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.715 -6.934 5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.314 -8.756 4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.038 -7.706 3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.729 -8.600 2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.674 -7.681 3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.274 -9.286 3.729 1.00 0.00 H new ATOM 378 N LEU A 27 -3.508 -2.543 5.919 1.00 0.00 N ATOM 379 CA LEU A 27 -3.943 -1.178 5.590 1.00 0.00 C ATOM 380 C LEU A 27 -2.988 -0.104 6.145 1.00 0.00 C ATOM 381 O LEU A 27 -3.298 1.092 6.104 1.00 0.00 O ATOM 382 CB LEU A 27 -5.406 -0.927 6.011 1.00 0.00 C ATOM 383 CG LEU A 27 -6.504 -1.797 5.370 1.00 0.00 C ATOM 384 CD1 LEU A 27 -6.359 -1.940 3.851 1.00 0.00 C ATOM 385 CD2 LEU A 27 -6.544 -3.200 5.959 1.00 0.00 C ATOM 0 H LEU A 27 -3.833 -2.859 6.833 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.902 -1.091 4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.469 -1.054 7.092 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.640 0.116 5.798 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.428 -1.264 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.165 -2.565 3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.410 -0.955 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.399 -2.402 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.334 -3.775 5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.585 -3.691 5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.742 -3.140 7.029 1.00 0.00 H new ATOM 397 N ASP A 28 -1.836 -0.519 6.678 1.00 0.00 N ATOM 398 CA ASP A 28 -0.791 0.359 7.233 1.00 0.00 C ATOM 399 C ASP A 28 0.484 0.343 6.369 1.00 0.00 C ATOM 400 O ASP A 28 1.524 0.885 6.761 1.00 0.00 O ATOM 401 CB ASP A 28 -0.498 0.017 8.704 1.00 0.00 C ATOM 402 CG ASP A 28 -1.309 0.856 9.687 1.00 0.00 C ATOM 403 OD1 ASP A 28 -1.195 2.102 9.675 1.00 0.00 O ATOM 404 OD2 ASP A 28 -1.994 0.258 10.553 1.00 0.00 O ATOM 0 H ASP A 28 -1.593 -1.508 6.739 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.172 1.380 7.210 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.711 -1.038 8.875 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.564 0.164 8.900 1.00 0.00 H new ATOM 409 N GLN A 29 0.459 -0.311 5.204 1.00 0.00 N ATOM 410 CA GLN A 29 1.583 -0.402 4.274 1.00 0.00 C ATOM 411 C GLN A 29 1.035 -0.576 2.853 1.00 0.00 C ATOM 412 O GLN A 29 -0.080 -1.066 2.680 1.00 0.00 O ATOM 413 CB GLN A 29 2.563 -1.511 4.710 1.00 0.00 C ATOM 414 CG GLN A 29 1.965 -2.900 4.976 1.00 0.00 C ATOM 415 CD GLN A 29 2.697 -3.664 6.082 1.00 0.00 C ATOM 416 OE1 GLN A 29 4.013 -3.604 6.153 1.00 0.00 O flip ATOM 417 NE2 GLN A 29 2.075 -4.318 6.910 1.00 0.00 N flip ATOM 0 H GLN A 29 -0.370 -0.806 4.874 1.00 0.00 H new ATOM 0 HA GLN A 29 2.169 0.517 4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.326 -1.612 3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.069 -1.180 5.617 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.916 -2.791 5.250 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.995 -3.485 4.057 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.057 -4.368 6.860 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.575 -4.812 7.649 1.00 0.00 H new ATOM 426 N VAL A 30 1.807 -0.204 1.829 1.00 0.00 N ATOM 427 CA VAL A 30 1.404 -0.295 0.414 1.00 0.00 C ATOM 428 C VAL A 30 2.544 -0.772 -0.488 1.00 0.00 C ATOM 429 O VAL A 30 3.685 -0.827 -0.019 1.00 0.00 O ATOM 430 CB VAL A 30 0.907 1.073 -0.087 1.00 0.00 C ATOM 431 CG1 VAL A 30 -0.247 1.646 0.743 1.00 0.00 C ATOM 432 CG2 VAL A 30 2.037 2.099 -0.121 1.00 0.00 C ATOM 0 H VAL A 30 2.745 0.175 1.956 1.00 0.00 H new ATOM 0 HA VAL A 30 0.602 -1.031 0.362 1.00 0.00 H new ATOM 0 HB VAL A 30 0.537 0.885 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.546 2.611 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.094 0.960 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.077 1.775 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.651 3.053 -0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.444 2.226 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.824 1.751 -0.790 1.00 0.00 H new ATOM 442 N VAL A 31 2.257 -1.097 -1.762 1.00 0.00 N ATOM 443 CA VAL A 31 3.277 -1.503 -2.719 1.00 0.00 C ATOM 444 C VAL A 31 3.267 -0.563 -3.918 1.00 0.00 C ATOM 445 O VAL A 31 2.237 0.028 -4.264 1.00 0.00 O ATOM 446 CB VAL A 31 3.265 -2.982 -3.184 1.00 0.00 C ATOM 447 CG1 VAL A 31 2.892 -3.992 -2.128 1.00 0.00 C ATOM 448 CG2 VAL A 31 2.577 -3.330 -4.496 1.00 0.00 C ATOM 0 H VAL A 31 1.312 -1.083 -2.146 1.00 0.00 H new ATOM 0 HA VAL A 31 4.209 -1.427 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 31 4.331 -3.068 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.914 -4.993 -2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.602 -3.935 -1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.889 -3.778 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.658 -4.402 -4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.525 -3.050 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.055 -2.788 -5.312 1.00 0.00 H new ATOM 458 N TYR A 32 4.421 -0.437 -4.556 1.00 0.00 N ATOM 459 CA TYR A 32 4.648 0.368 -5.753 1.00 0.00 C ATOM 460 C TYR A 32 5.995 -0.072 -6.295 1.00 0.00 C ATOM 461 O TYR A 32 6.935 -0.210 -5.521 1.00 0.00 O ATOM 462 CB TYR A 32 4.675 1.870 -5.442 1.00 0.00 C ATOM 463 CG TYR A 32 5.345 2.753 -6.496 1.00 0.00 C ATOM 464 CD1 TYR A 32 4.953 2.715 -7.843 1.00 0.00 C ATOM 465 CD2 TYR A 32 6.439 3.560 -6.135 1.00 0.00 C ATOM 466 CE1 TYR A 32 5.677 3.445 -8.801 1.00 0.00 C ATOM 467 CE2 TYR A 32 7.212 4.257 -7.084 1.00 0.00 C ATOM 468 CZ TYR A 32 6.842 4.165 -8.441 1.00 0.00 C ATOM 469 OH TYR A 32 7.606 4.757 -9.402 1.00 0.00 O ATOM 0 H TYR A 32 5.266 -0.914 -4.241 1.00 0.00 H new ATOM 0 HA TYR A 32 3.840 0.220 -6.470 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.649 2.213 -5.306 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.189 2.017 -4.492 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.098 2.127 -8.142 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.696 3.649 -5.090 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.340 3.457 -9.827 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.065 4.846 -6.780 1.00 0.00 H new ATOM 0 HH TYR A 32 7.687 5.715 -9.212 1.00 0.00 H new ATOM 479 N ASP A 33 6.082 -0.295 -7.606 1.00 0.00 N ATOM 480 CA ASP A 33 7.300 -0.709 -8.309 1.00 0.00 C ATOM 481 C ASP A 33 7.980 -1.919 -7.644 1.00 0.00 C ATOM 482 O ASP A 33 9.204 -2.026 -7.653 1.00 0.00 O ATOM 483 CB ASP A 33 8.215 0.528 -8.425 1.00 0.00 C ATOM 484 CG ASP A 33 9.226 0.474 -9.566 1.00 0.00 C ATOM 485 OD1 ASP A 33 8.818 0.153 -10.711 1.00 0.00 O ATOM 486 OD2 ASP A 33 10.374 0.948 -9.373 1.00 0.00 O ATOM 0 H ASP A 33 5.282 -0.190 -8.230 1.00 0.00 H new ATOM 0 HA ASP A 33 7.056 -1.065 -9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.591 1.413 -8.553 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.755 0.652 -7.486 1.00 0.00 H new ATOM 491 N ASP A 34 7.160 -2.821 -7.077 1.00 0.00 N ATOM 492 CA ASP A 34 7.477 -4.069 -6.355 1.00 0.00 C ATOM 493 C ASP A 34 8.058 -3.856 -4.960 1.00 0.00 C ATOM 494 O ASP A 34 8.615 -4.759 -4.321 1.00 0.00 O ATOM 495 CB ASP A 34 8.445 -4.947 -7.144 1.00 0.00 C ATOM 496 CG ASP A 34 8.025 -6.400 -6.941 1.00 0.00 C ATOM 497 OD1 ASP A 34 6.979 -6.758 -7.543 1.00 0.00 O ATOM 498 OD2 ASP A 34 8.730 -7.192 -6.281 1.00 0.00 O ATOM 0 H ASP A 34 6.151 -2.680 -7.117 1.00 0.00 H new ATOM 0 HA ASP A 34 6.512 -4.563 -6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.422 -4.687 -8.202 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.468 -4.793 -6.800 1.00 0.00 H new ATOM 503 N GLN A 35 8.000 -2.622 -4.488 1.00 0.00 N ATOM 504 CA GLN A 35 8.539 -2.210 -3.218 1.00 0.00 C ATOM 505 C GLN A 35 7.421 -2.222 -2.219 1.00 0.00 C ATOM 506 O GLN A 35 6.253 -2.210 -2.594 1.00 0.00 O ATOM 507 CB GLN A 35 9.233 -0.855 -3.349 1.00 0.00 C ATOM 508 CG GLN A 35 10.210 -0.786 -4.533 1.00 0.00 C ATOM 509 CD GLN A 35 11.091 -2.021 -4.693 1.00 0.00 C ATOM 510 OE1 GLN A 35 10.864 -2.935 -5.466 1.00 0.00 O ATOM 511 NE2 GLN A 35 12.078 -2.182 -3.852 1.00 0.00 N ATOM 0 H GLN A 35 7.560 -1.859 -5.002 1.00 0.00 H new ATOM 0 HA GLN A 35 9.310 -2.896 -2.869 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.478 -0.077 -3.464 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.774 -0.641 -2.427 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.641 -0.639 -5.451 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.849 0.088 -4.411 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.306 -1.444 -3.186 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.621 -3.046 -3.862 1.00 0.00 H new ATOM 520 N LEU A 36 7.791 -2.281 -0.951 1.00 0.00 N ATOM 521 CA LEU A 36 6.837 -2.337 0.143 1.00 0.00 C ATOM 522 C LEU A 36 7.170 -1.206 1.074 1.00 0.00 C ATOM 523 O LEU A 36 8.300 -1.164 1.571 1.00 0.00 O ATOM 524 CB LEU A 36 6.947 -3.702 0.823 1.00 0.00 C ATOM 525 CG LEU A 36 5.773 -4.078 1.741 1.00 0.00 C ATOM 526 CD1 LEU A 36 4.403 -4.107 1.069 1.00 0.00 C ATOM 527 CD2 LEU A 36 6.054 -5.471 2.276 1.00 0.00 C ATOM 0 H LEU A 36 8.766 -2.291 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 36 5.806 -2.227 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.042 -4.466 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.866 -3.724 1.409 1.00 0.00 H new ATOM 0 HG LEU A 36 5.716 -3.305 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.644 -4.383 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.175 -3.121 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.410 -4.838 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.242 -5.778 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.131 -6.171 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.991 -5.465 2.833 1.00 0.00 H new ATOM 539 N TYR A 37 6.214 -0.304 1.283 1.00 0.00 N ATOM 540 CA TYR A 37 6.423 0.845 2.135 1.00 0.00 C ATOM 541 C TYR A 37 5.474 0.838 3.316 1.00 0.00 C ATOM 542 O TYR A 37 4.272 0.636 3.153 1.00 0.00 O ATOM 543 CB TYR A 37 6.250 2.152 1.363 1.00 0.00 C ATOM 544 CG TYR A 37 6.834 2.185 -0.028 1.00 0.00 C ATOM 545 CD1 TYR A 37 8.187 1.865 -0.240 1.00 0.00 C ATOM 546 CD2 TYR A 37 6.041 2.650 -1.090 1.00 0.00 C ATOM 547 CE1 TYR A 37 8.746 1.991 -1.518 1.00 0.00 C ATOM 548 CE2 TYR A 37 6.611 2.821 -2.358 1.00 0.00 C ATOM 549 CZ TYR A 37 7.958 2.462 -2.585 1.00 0.00 C ATOM 550 OH TYR A 37 8.517 2.630 -3.811 1.00 0.00 O ATOM 0 H TYR A 37 5.284 -0.355 0.867 1.00 0.00 H new ATOM 0 HA TYR A 37 7.448 0.780 2.500 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.184 2.370 1.293 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.702 2.956 1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.796 1.522 0.584 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.997 2.875 -0.930 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.780 1.727 -1.685 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.019 3.228 -3.164 1.00 0.00 H new ATOM 0 HH TYR A 37 7.845 2.459 -4.503 1.00 0.00 H new ATOM 560 N HIS A 38 6.021 1.057 4.503 1.00 0.00 N ATOM 561 CA HIS A 38 5.341 1.111 5.776 1.00 0.00 C ATOM 562 C HIS A 38 4.948 2.550 6.032 1.00 0.00 C ATOM 563 O HIS A 38 5.814 3.416 5.955 1.00 0.00 O ATOM 564 CB HIS A 38 6.322 0.681 6.876 1.00 0.00 C ATOM 565 CG HIS A 38 5.786 -0.353 7.829 1.00 0.00 C ATOM 566 ND1 HIS A 38 6.555 -1.077 8.712 1.00 0.00 N ATOM 567 CD2 HIS A 38 4.469 -0.676 8.049 1.00 0.00 C ATOM 568 CE1 HIS A 38 5.727 -1.829 9.448 1.00 0.00 C ATOM 569 NE2 HIS A 38 4.449 -1.616 9.083 1.00 0.00 N ATOM 0 H HIS A 38 7.024 1.212 4.602 1.00 0.00 H new ATOM 0 HA HIS A 38 4.467 0.460 5.772 1.00 0.00 H new ATOM 0 HB2 HIS A 38 7.224 0.289 6.406 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.616 1.562 7.446 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.613 -0.279 7.523 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.040 -2.510 10.225 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.622 -2.057 9.485 1.00 0.00 H new ATOM 577 N LEU A 39 3.681 2.833 6.292 1.00 0.00 N ATOM 578 CA LEU A 39 3.243 4.196 6.566 1.00 0.00 C ATOM 579 C LEU A 39 3.698 4.540 7.985 1.00 0.00 C ATOM 580 O LEU A 39 3.487 3.736 8.896 1.00 0.00 O ATOM 581 CB LEU A 39 1.719 4.284 6.431 1.00 0.00 C ATOM 582 CG LEU A 39 1.184 3.733 5.098 1.00 0.00 C ATOM 583 CD1 LEU A 39 -0.327 3.901 5.063 1.00 0.00 C ATOM 584 CD2 LEU A 39 1.795 4.396 3.859 1.00 0.00 C ATOM 0 H LEU A 39 2.936 2.137 6.319 1.00 0.00 H new ATOM 0 HA LEU A 39 3.673 4.905 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.258 3.735 7.252 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.414 5.325 6.532 1.00 0.00 H new ATOM 0 HG LEU A 39 1.472 2.683 5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.715 3.513 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.773 3.353 5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.578 4.958 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.366 3.952 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.580 5.464 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.874 4.243 3.860 1.00 0.00 H new ATOM 596 N LYS A 40 4.333 5.697 8.195 1.00 0.00 N ATOM 597 CA LYS A 40 4.811 6.114 9.518 1.00 0.00 C ATOM 598 C LYS A 40 3.943 7.232 10.061 1.00 0.00 C ATOM 599 O LYS A 40 3.419 7.131 11.172 1.00 0.00 O ATOM 600 CB LYS A 40 6.279 6.586 9.485 1.00 0.00 C ATOM 601 CG LYS A 40 7.272 5.615 8.844 1.00 0.00 C ATOM 602 CD LYS A 40 7.354 4.227 9.505 1.00 0.00 C ATOM 603 CE LYS A 40 8.689 3.950 10.212 1.00 0.00 C ATOM 604 NZ LYS A 40 8.774 4.524 11.564 1.00 0.00 N ATOM 0 H LYS A 40 4.530 6.370 7.455 1.00 0.00 H new ATOM 0 HA LYS A 40 4.750 5.241 10.168 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.325 7.533 8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.601 6.784 10.507 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.003 5.485 7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.263 6.068 8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.545 4.132 10.229 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.192 3.463 8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.840 2.872 10.275 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.501 4.351 9.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.700 4.298 11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.661 5.556 11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.021 4.124 12.159 1.00 0.00 H new ATOM 618 N GLU A 41 3.822 8.305 9.285 1.00 0.00 N ATOM 619 CA GLU A 41 3.039 9.485 9.666 1.00 0.00 C ATOM 620 C GLU A 41 2.335 10.117 8.465 1.00 0.00 C ATOM 621 O GLU A 41 2.484 9.660 7.332 1.00 0.00 O ATOM 622 CB GLU A 41 3.974 10.503 10.359 1.00 0.00 C ATOM 623 CG GLU A 41 4.959 11.180 9.390 1.00 0.00 C ATOM 624 CD GLU A 41 6.046 11.996 10.095 1.00 0.00 C ATOM 625 OE1 GLU A 41 5.800 13.194 10.375 1.00 0.00 O ATOM 626 OE2 GLU A 41 7.157 11.450 10.309 1.00 0.00 O ATOM 0 H GLU A 41 4.265 8.385 8.370 1.00 0.00 H new ATOM 0 HA GLU A 41 2.255 9.176 10.357 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.370 11.268 10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.537 9.995 11.142 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.432 10.416 8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.403 11.834 8.718 1.00 0.00 H new ATOM 633 N LYS A 42 1.538 11.153 8.723 1.00 0.00 N ATOM 634 CA LYS A 42 0.787 11.945 7.761 1.00 0.00 C ATOM 635 C LYS A 42 1.631 13.206 7.581 1.00 0.00 C ATOM 636 O LYS A 42 2.248 13.681 8.541 1.00 0.00 O ATOM 637 CB LYS A 42 -0.616 12.266 8.331 1.00 0.00 C ATOM 638 CG LYS A 42 -1.740 12.368 7.285 1.00 0.00 C ATOM 639 CD LYS A 42 -1.681 13.540 6.310 1.00 0.00 C ATOM 640 CE LYS A 42 -2.111 14.907 6.827 1.00 0.00 C ATOM 641 NZ LYS A 42 -2.067 15.882 5.716 1.00 0.00 N ATOM 0 H LYS A 42 1.393 11.481 9.678 1.00 0.00 H new ATOM 0 HA LYS A 42 0.618 11.437 6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.882 11.494 9.053 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.562 13.208 8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.746 11.446 6.704 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.691 12.417 7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.657 13.625 5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.304 13.294 5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.118 14.853 7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.453 15.227 7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.125 16.847 6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.176 15.771 5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.869 15.715 5.075 1.00 0.00 H new ATOM 655 N VAL A 43 1.713 13.726 6.368 1.00 0.00 N ATOM 656 CA VAL A 43 2.473 14.935 6.067 1.00 0.00 C ATOM 657 C VAL A 43 1.630 15.856 5.185 1.00 0.00 C ATOM 658 O VAL A 43 0.582 15.450 4.680 1.00 0.00 O ATOM 659 CB VAL A 43 3.829 14.568 5.430 1.00 0.00 C ATOM 660 CG1 VAL A 43 4.697 13.702 6.354 1.00 0.00 C ATOM 661 CG2 VAL A 43 3.680 13.856 4.085 1.00 0.00 C ATOM 0 H VAL A 43 1.251 13.320 5.555 1.00 0.00 H new ATOM 0 HA VAL A 43 2.699 15.478 6.985 1.00 0.00 H new ATOM 0 HB VAL A 43 4.326 15.524 5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.640 13.472 5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.896 14.243 7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.172 12.775 6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.667 13.623 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.117 12.933 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.150 14.504 3.387 1.00 0.00 H new ATOM 671 N ASP A 44 2.041 17.116 5.040 1.00 0.00 N ATOM 672 CA ASP A 44 1.334 18.066 4.187 1.00 0.00 C ATOM 673 C ASP A 44 1.906 17.970 2.780 1.00 0.00 C ATOM 674 O ASP A 44 2.884 17.263 2.539 1.00 0.00 O ATOM 675 CB ASP A 44 1.397 19.502 4.700 1.00 0.00 C ATOM 676 CG ASP A 44 0.105 20.208 4.280 1.00 0.00 C ATOM 677 OD1 ASP A 44 -0.926 20.036 4.972 1.00 0.00 O ATOM 678 OD2 ASP A 44 0.072 20.824 3.193 1.00 0.00 O ATOM 0 H ASP A 44 2.863 17.501 5.505 1.00 0.00 H new ATOM 0 HA ASP A 44 0.277 17.800 4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.504 19.515 5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.265 20.017 4.288 1.00 0.00 H new ATOM 683 N GLU A 45 1.282 18.642 1.827 1.00 0.00 N ATOM 684 CA GLU A 45 1.643 18.694 0.427 1.00 0.00 C ATOM 685 C GLU A 45 2.900 19.519 0.215 1.00 0.00 C ATOM 686 O GLU A 45 3.527 19.373 -0.821 1.00 0.00 O ATOM 687 CB GLU A 45 0.496 19.214 -0.428 1.00 0.00 C ATOM 688 CG GLU A 45 0.183 20.697 -0.216 1.00 0.00 C ATOM 689 CD GLU A 45 0.219 21.461 -1.534 1.00 0.00 C ATOM 690 OE1 GLU A 45 -0.827 21.491 -2.221 1.00 0.00 O ATOM 691 OE2 GLU A 45 1.299 21.993 -1.890 1.00 0.00 O ATOM 0 H GLU A 45 0.454 19.202 2.029 1.00 0.00 H new ATOM 0 HA GLU A 45 1.854 17.674 0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.737 19.051 -1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.399 18.630 -0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.801 20.802 0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.905 21.128 0.477 1.00 0.00 H new ATOM 698 N ASP A 46 3.311 20.337 1.178 1.00 0.00 N ATOM 699 CA ASP A 46 4.505 21.181 1.043 1.00 0.00 C ATOM 700 C ASP A 46 5.763 20.470 1.526 1.00 0.00 C ATOM 701 O ASP A 46 6.884 20.958 1.376 1.00 0.00 O ATOM 702 CB ASP A 46 4.309 22.495 1.794 1.00 0.00 C ATOM 703 CG ASP A 46 4.594 22.393 3.286 1.00 0.00 C ATOM 704 OD1 ASP A 46 3.659 22.016 4.028 1.00 0.00 O ATOM 705 OD2 ASP A 46 5.731 22.665 3.723 1.00 0.00 O ATOM 0 H ASP A 46 2.832 20.438 2.073 1.00 0.00 H new ATOM 0 HA ASP A 46 4.641 21.393 -0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.961 23.253 1.359 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.284 22.836 1.651 1.00 0.00 H new ATOM 710 N LYS A 47 5.571 19.293 2.110 1.00 0.00 N ATOM 711 CA LYS A 47 6.664 18.491 2.635 1.00 0.00 C ATOM 712 C LYS A 47 7.314 17.682 1.517 1.00 0.00 C ATOM 713 O LYS A 47 8.501 17.380 1.603 1.00 0.00 O ATOM 714 CB LYS A 47 6.171 17.589 3.780 1.00 0.00 C ATOM 715 CG LYS A 47 5.235 18.262 4.804 1.00 0.00 C ATOM 716 CD LYS A 47 5.796 19.575 5.354 1.00 0.00 C ATOM 717 CE LYS A 47 5.071 20.152 6.572 1.00 0.00 C ATOM 718 NZ LYS A 47 5.180 19.327 7.792 1.00 0.00 N ATOM 0 H LYS A 47 4.651 18.869 2.232 1.00 0.00 H new ATOM 0 HA LYS A 47 7.424 19.155 3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.651 16.734 3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.040 17.199 4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.270 18.454 4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.056 17.575 5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.842 19.419 5.618 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.776 20.319 4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.471 21.144 6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.017 20.279 6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.663 19.786 8.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.772 18.387 7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.181 19.226 8.054 1.00 0.00 H new ATOM 732 N LYS A 48 6.594 17.392 0.428 1.00 0.00 N ATOM 733 CA LYS A 48 7.166 16.620 -0.685 1.00 0.00 C ATOM 734 C LYS A 48 8.271 17.367 -1.408 1.00 0.00 C ATOM 735 O LYS A 48 8.213 18.588 -1.531 1.00 0.00 O ATOM 736 CB LYS A 48 6.110 16.272 -1.744 1.00 0.00 C ATOM 737 CG LYS A 48 5.485 17.477 -2.476 1.00 0.00 C ATOM 738 CD LYS A 48 4.171 17.093 -3.178 1.00 0.00 C ATOM 739 CE LYS A 48 3.275 18.228 -3.690 1.00 0.00 C ATOM 740 NZ LYS A 48 3.979 19.205 -4.544 1.00 0.00 N ATOM 0 H LYS A 48 5.624 17.676 0.292 1.00 0.00 H new ATOM 0 HA LYS A 48 7.563 15.719 -0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.566 15.615 -2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.312 15.706 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.296 18.279 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.191 17.864 -3.211 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.419 16.454 -4.025 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.585 16.490 -2.484 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.446 17.798 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.843 18.751 -2.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.312 19.941 -4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.753 19.643 -4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.369 18.720 -5.378 1.00 0.00 H new ATOM 754 N GLY A 49 9.209 16.613 -1.976 1.00 0.00 N ATOM 755 CA GLY A 49 10.307 17.179 -2.744 1.00 0.00 C ATOM 756 C GLY A 49 9.961 17.132 -4.229 1.00 0.00 C ATOM 757 O GLY A 49 10.228 18.083 -4.963 1.00 0.00 O ATOM 0 H GLY A 49 9.227 15.595 -1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.490 18.208 -2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.224 16.621 -2.555 1.00 0.00 H new ATOM 761 N LYS A 50 9.330 16.039 -4.680 1.00 0.00 N ATOM 762 CA LYS A 50 8.940 15.784 -6.066 1.00 0.00 C ATOM 763 C LYS A 50 8.148 14.487 -6.146 1.00 0.00 C ATOM 764 O LYS A 50 8.150 13.713 -5.184 1.00 0.00 O ATOM 765 CB LYS A 50 10.224 15.635 -6.919 1.00 0.00 C ATOM 766 CG LYS A 50 11.263 14.647 -6.333 1.00 0.00 C ATOM 767 CD LYS A 50 12.612 14.696 -7.055 1.00 0.00 C ATOM 768 CE LYS A 50 12.608 13.942 -8.387 1.00 0.00 C ATOM 769 NZ LYS A 50 13.851 14.217 -9.130 1.00 0.00 N ATOM 0 H LYS A 50 9.067 15.276 -4.056 1.00 0.00 H new ATOM 0 HA LYS A 50 8.328 16.608 -6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.946 15.302 -7.919 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.691 16.614 -7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.414 14.872 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.864 13.634 -6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.884 15.736 -7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.380 14.273 -6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.512 12.871 -8.207 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.746 14.244 -8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.838 13.700 -10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.925 15.237 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.668 13.908 -8.566 1.00 0.00 H new ATOM 783 N VAL A 51 7.423 14.277 -7.243 1.00 0.00 N ATOM 784 CA VAL A 51 6.663 13.058 -7.494 1.00 0.00 C ATOM 785 C VAL A 51 7.689 12.050 -8.003 1.00 0.00 C ATOM 786 O VAL A 51 8.716 12.424 -8.571 1.00 0.00 O ATOM 787 CB VAL A 51 5.534 13.311 -8.516 1.00 0.00 C ATOM 788 CG1 VAL A 51 5.040 12.067 -9.268 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.326 13.889 -7.781 1.00 0.00 C ATOM 0 H VAL A 51 7.347 14.962 -7.995 1.00 0.00 H new ATOM 0 HA VAL A 51 6.161 12.690 -6.599 1.00 0.00 H new ATOM 0 HB VAL A 51 5.966 13.985 -9.256 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.248 12.351 -9.961 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.867 11.625 -9.824 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.654 11.340 -8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.521 14.072 -8.492 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.988 13.181 -7.024 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.607 14.827 -7.301 1.00 0.00 H new ATOM 799 N ILE A 52 7.411 10.766 -7.802 1.00 0.00 N ATOM 800 CA ILE A 52 8.281 9.679 -8.243 1.00 0.00 C ATOM 801 C ILE A 52 7.489 8.542 -8.887 1.00 0.00 C ATOM 802 O ILE A 52 8.063 7.786 -9.665 1.00 0.00 O ATOM 803 CB ILE A 52 9.154 9.186 -7.075 1.00 0.00 C ATOM 804 CG1 ILE A 52 8.291 8.784 -5.866 1.00 0.00 C ATOM 805 CG2 ILE A 52 10.195 10.258 -6.708 1.00 0.00 C ATOM 806 CD1 ILE A 52 9.132 8.303 -4.697 1.00 0.00 C ATOM 0 H ILE A 52 6.568 10.447 -7.324 1.00 0.00 H new ATOM 0 HA ILE A 52 8.943 10.067 -9.017 1.00 0.00 H new ATOM 0 HB ILE A 52 9.689 8.290 -7.390 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.689 9.636 -5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.598 7.996 -6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.809 9.901 -5.881 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.830 10.459 -7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.685 11.175 -6.412 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.480 8.030 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.715 7.433 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.806 9.099 -4.382 1.00 0.00 H new ATOM 818 N GLY A 53 6.186 8.440 -8.618 1.00 0.00 N ATOM 819 CA GLY A 53 5.325 7.405 -9.178 1.00 0.00 C ATOM 820 C GLY A 53 3.897 7.615 -8.702 1.00 0.00 C ATOM 821 O GLY A 53 3.614 8.649 -8.101 1.00 0.00 O ATOM 0 H GLY A 53 5.696 9.084 -7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.364 7.436 -10.267 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.679 6.420 -8.874 1.00 0.00 H new ATOM 825 N ALA A 54 2.989 6.671 -8.958 1.00 0.00 N ATOM 826 CA ALA A 54 1.598 6.744 -8.548 1.00 0.00 C ATOM 827 C ALA A 54 0.997 5.365 -8.296 1.00 0.00 C ATOM 828 O ALA A 54 1.281 4.435 -9.052 1.00 0.00 O ATOM 829 CB ALA A 54 0.789 7.414 -9.661 1.00 0.00 C ATOM 0 H ALA A 54 3.213 5.817 -9.469 1.00 0.00 H new ATOM 0 HA ALA A 54 1.559 7.312 -7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.258 7.474 -9.364 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.175 8.418 -9.837 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.873 6.827 -10.576 1.00 0.00 H new ATOM 835 N ILE A 55 0.211 5.201 -7.225 1.00 0.00 N ATOM 836 CA ILE A 55 -0.433 3.919 -6.949 1.00 0.00 C ATOM 837 C ILE A 55 -1.661 3.831 -7.863 1.00 0.00 C ATOM 838 O ILE A 55 -1.741 2.935 -8.700 1.00 0.00 O ATOM 839 CB ILE A 55 -0.790 3.788 -5.456 1.00 0.00 C ATOM 840 CG1 ILE A 55 0.478 3.737 -4.588 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.642 2.543 -5.207 1.00 0.00 C ATOM 842 CD1 ILE A 55 0.165 3.815 -3.093 1.00 0.00 C ATOM 0 H ILE A 55 0.009 5.933 -6.544 1.00 0.00 H new ATOM 0 HA ILE A 55 0.238 3.086 -7.158 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.367 4.669 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.020 2.814 -4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.136 4.562 -4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.881 2.472 -4.146 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.565 2.612 -5.783 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.088 1.656 -5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.094 3.775 -2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.352 4.750 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.470 2.976 -2.810 1.00 0.00 H new ATOM 854 N GLY A 56 -2.585 4.790 -7.724 1.00 0.00 N ATOM 855 CA GLY A 56 -3.820 4.901 -8.490 1.00 0.00 C ATOM 856 C GLY A 56 -4.668 3.630 -8.550 1.00 0.00 C ATOM 857 O GLY A 56 -4.957 3.163 -9.651 1.00 0.00 O ATOM 0 H GLY A 56 -2.482 5.541 -7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.424 5.701 -8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.571 5.200 -9.508 1.00 0.00 H new ATOM 861 N GLN A 57 -5.076 3.075 -7.405 1.00 0.00 N ATOM 862 CA GLN A 57 -5.896 1.863 -7.323 1.00 0.00 C ATOM 863 C GLN A 57 -7.111 2.112 -6.415 1.00 0.00 C ATOM 864 O GLN A 57 -7.025 2.922 -5.484 1.00 0.00 O ATOM 865 CB GLN A 57 -5.035 0.681 -6.828 1.00 0.00 C ATOM 866 CG GLN A 57 -3.782 0.451 -7.695 1.00 0.00 C ATOM 867 CD GLN A 57 -3.169 -0.943 -7.538 1.00 0.00 C ATOM 868 OE1 GLN A 57 -3.859 -1.948 -7.605 1.00 0.00 O ATOM 869 NE2 GLN A 57 -1.861 -1.067 -7.348 1.00 0.00 N ATOM 0 H GLN A 57 -4.841 3.463 -6.492 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.274 1.605 -8.312 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.730 0.866 -5.798 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.639 -0.226 -6.823 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.042 0.607 -8.742 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.032 1.199 -7.438 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.273 -0.236 -7.290 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.444 -1.994 -7.260 1.00 0.00 H new ATOM 878 N THR A 58 -8.224 1.405 -6.635 1.00 0.00 N ATOM 879 CA THR A 58 -9.465 1.526 -5.869 1.00 0.00 C ATOM 880 C THR A 58 -10.005 0.131 -5.530 1.00 0.00 C ATOM 881 O THR A 58 -10.262 -0.658 -6.437 1.00 0.00 O ATOM 882 CB THR A 58 -10.525 2.340 -6.640 1.00 0.00 C ATOM 883 OG1 THR A 58 -9.971 3.388 -7.420 1.00 0.00 O ATOM 884 CG2 THR A 58 -11.508 2.947 -5.638 1.00 0.00 C ATOM 0 H THR A 58 -8.286 0.709 -7.378 1.00 0.00 H new ATOM 0 HA THR A 58 -9.245 2.061 -4.945 1.00 0.00 H new ATOM 0 HB THR A 58 -11.018 1.651 -7.326 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.690 3.865 -7.885 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.262 3.525 -6.172 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.993 2.149 -5.076 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.970 3.600 -4.951 1.00 0.00 H new ATOM 892 N PHE A 59 -10.206 -0.174 -4.244 1.00 0.00 N ATOM 893 CA PHE A 59 -10.698 -1.469 -3.764 1.00 0.00 C ATOM 894 C PHE A 59 -11.668 -1.279 -2.591 1.00 0.00 C ATOM 895 O PHE A 59 -11.907 -0.148 -2.157 1.00 0.00 O ATOM 896 CB PHE A 59 -9.498 -2.343 -3.357 1.00 0.00 C ATOM 897 CG PHE A 59 -8.541 -2.661 -4.493 1.00 0.00 C ATOM 898 CD1 PHE A 59 -8.974 -3.421 -5.598 1.00 0.00 C ATOM 899 CD2 PHE A 59 -7.216 -2.187 -4.452 1.00 0.00 C ATOM 900 CE1 PHE A 59 -8.094 -3.680 -6.662 1.00 0.00 C ATOM 901 CE2 PHE A 59 -6.326 -2.477 -5.497 1.00 0.00 C ATOM 902 CZ PHE A 59 -6.772 -3.204 -6.614 1.00 0.00 C ATOM 0 H PHE A 59 -10.027 0.489 -3.490 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.247 -1.969 -4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.947 -1.836 -2.565 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.870 -3.278 -2.939 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -9.983 -3.805 -5.627 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.883 -1.597 -3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.433 -4.245 -7.517 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.301 -2.142 -5.443 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.099 -3.397 -7.436 1.00 0.00 H new ATOM 912 N PHE A 60 -12.247 -2.367 -2.069 1.00 0.00 N ATOM 913 CA PHE A 60 -13.183 -2.325 -0.944 1.00 0.00 C ATOM 914 C PHE A 60 -13.044 -3.586 -0.090 1.00 0.00 C ATOM 915 O PHE A 60 -12.724 -4.646 -0.640 1.00 0.00 O ATOM 916 CB PHE A 60 -14.640 -2.305 -1.427 1.00 0.00 C ATOM 917 CG PHE A 60 -14.987 -1.263 -2.461 1.00 0.00 C ATOM 918 CD1 PHE A 60 -14.753 -1.511 -3.824 1.00 0.00 C ATOM 919 CD2 PHE A 60 -15.592 -0.064 -2.064 1.00 0.00 C ATOM 920 CE1 PHE A 60 -15.154 -0.572 -4.784 1.00 0.00 C ATOM 921 CE2 PHE A 60 -16.044 0.847 -3.029 1.00 0.00 C ATOM 922 CZ PHE A 60 -15.830 0.595 -4.392 1.00 0.00 C ATOM 0 H PHE A 60 -12.076 -3.309 -2.420 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.948 -1.422 -0.380 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -14.878 -3.286 -1.837 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -15.285 -2.156 -0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.265 -2.424 -4.131 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -15.710 0.159 -1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.943 -0.746 -5.829 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.559 1.746 -2.722 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.183 1.294 -5.136 1.00 0.00 H new ATOM 932 N VAL A 61 -13.317 -3.494 1.217 1.00 0.00 N ATOM 933 CA VAL A 61 -13.285 -4.631 2.134 1.00 0.00 C ATOM 934 C VAL A 61 -14.479 -4.505 3.075 1.00 0.00 C ATOM 935 O VAL A 61 -15.085 -3.431 3.161 1.00 0.00 O ATOM 936 CB VAL A 61 -11.970 -4.807 2.914 1.00 0.00 C ATOM 937 CG1 VAL A 61 -10.816 -5.144 1.988 1.00 0.00 C ATOM 938 CG2 VAL A 61 -11.603 -3.594 3.754 1.00 0.00 C ATOM 0 H VAL A 61 -13.569 -2.615 1.669 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.345 -5.537 1.532 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.148 -5.639 3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.903 -5.261 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -11.032 -6.074 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.683 -4.339 1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.666 -3.784 4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.487 -2.725 3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.393 -3.402 4.481 1.00 0.00 H new ATOM 948 N ASP A 62 -14.848 -5.595 3.733 1.00 0.00 N ATOM 949 CA ASP A 62 -15.946 -5.649 4.691 1.00 0.00 C ATOM 950 C ASP A 62 -15.384 -5.426 6.106 1.00 0.00 C ATOM 951 O ASP A 62 -14.218 -5.049 6.270 1.00 0.00 O ATOM 952 CB ASP A 62 -16.732 -6.957 4.531 1.00 0.00 C ATOM 953 CG ASP A 62 -16.202 -8.046 5.452 1.00 0.00 C ATOM 954 OD1 ASP A 62 -14.982 -8.305 5.377 1.00 0.00 O ATOM 955 OD2 ASP A 62 -16.947 -8.468 6.367 1.00 0.00 O ATOM 0 H ASP A 62 -14.379 -6.493 3.612 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.666 -4.852 4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -17.785 -6.778 4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.672 -7.294 3.496 1.00 0.00 H new ATOM 960 N GLY A 63 -16.207 -5.594 7.142 1.00 0.00 N ATOM 961 CA GLY A 63 -15.792 -5.419 8.527 1.00 0.00 C ATOM 962 C GLY A 63 -14.872 -6.530 8.996 1.00 0.00 C ATOM 963 O GLY A 63 -14.186 -6.376 10.003 1.00 0.00 O ATOM 0 H GLY A 63 -17.187 -5.857 7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -15.284 -4.460 8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.674 -5.386 9.167 1.00 0.00 H new ATOM 967 N ASP A 64 -14.919 -7.685 8.336 1.00 0.00 N ATOM 968 CA ASP A 64 -14.061 -8.817 8.673 1.00 0.00 C ATOM 969 C ASP A 64 -12.692 -8.592 8.020 1.00 0.00 C ATOM 970 O ASP A 64 -11.659 -8.985 8.567 1.00 0.00 O ATOM 971 CB ASP A 64 -14.734 -10.096 8.160 1.00 0.00 C ATOM 972 CG ASP A 64 -13.908 -11.340 8.424 1.00 0.00 C ATOM 973 OD1 ASP A 64 -13.483 -11.521 9.587 1.00 0.00 O ATOM 974 OD2 ASP A 64 -13.731 -12.138 7.478 1.00 0.00 O ATOM 0 H ASP A 64 -15.551 -7.862 7.555 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.916 -8.913 9.749 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.709 -10.205 8.636 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.911 -10.003 7.088 1.00 0.00 H new ATOM 979 N GLY A 65 -12.654 -7.751 6.981 1.00 0.00 N ATOM 980 CA GLY A 65 -11.481 -7.381 6.224 1.00 0.00 C ATOM 981 C GLY A 65 -11.318 -8.226 4.970 1.00 0.00 C ATOM 982 O GLY A 65 -10.173 -8.457 4.579 1.00 0.00 O ATOM 0 H GLY A 65 -13.496 -7.291 6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.547 -6.329 5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.596 -7.490 6.851 1.00 0.00 H new ATOM 986 N LYS A 66 -12.399 -8.716 4.354 1.00 0.00 N ATOM 987 CA LYS A 66 -12.304 -9.532 3.153 1.00 0.00 C ATOM 988 C LYS A 66 -12.466 -8.659 1.924 1.00 0.00 C ATOM 989 O LYS A 66 -13.295 -7.748 1.936 1.00 0.00 O ATOM 990 CB LYS A 66 -13.341 -10.667 3.147 1.00 0.00 C ATOM 991 CG LYS A 66 -12.698 -12.039 3.450 1.00 0.00 C ATOM 992 CD LYS A 66 -13.361 -13.167 2.651 1.00 0.00 C ATOM 993 CE LYS A 66 -12.984 -13.071 1.160 1.00 0.00 C ATOM 994 NZ LYS A 66 -13.918 -13.792 0.272 1.00 0.00 N ATOM 0 H LYS A 66 -13.354 -8.556 4.675 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.318 -9.996 3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.113 -10.457 3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.833 -10.704 2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.635 -12.002 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -12.780 -12.252 4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.050 -14.133 3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.444 -13.111 2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.953 -12.021 0.867 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.980 -13.471 1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.608 -13.688 -0.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.931 -14.800 0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.874 -13.396 0.378 1.00 0.00 H new ATOM 1008 N ARG A 67 -11.663 -8.896 0.887 1.00 0.00 N ATOM 1009 CA ARG A 67 -11.713 -8.158 -0.366 1.00 0.00 C ATOM 1010 C ARG A 67 -13.039 -8.493 -1.031 1.00 0.00 C ATOM 1011 O ARG A 67 -13.359 -9.664 -1.207 1.00 0.00 O ATOM 1012 CB ARG A 67 -10.495 -8.533 -1.238 1.00 0.00 C ATOM 1013 CG ARG A 67 -9.689 -7.301 -1.654 1.00 0.00 C ATOM 1014 CD ARG A 67 -10.407 -6.494 -2.737 1.00 0.00 C ATOM 1015 NE ARG A 67 -10.302 -7.150 -4.045 1.00 0.00 N ATOM 1016 CZ ARG A 67 -10.893 -6.733 -5.170 1.00 0.00 C ATOM 1017 NH1 ARG A 67 -12.003 -6.013 -5.129 1.00 0.00 N ATOM 1018 NH2 ARG A 67 -10.339 -7.001 -6.336 1.00 0.00 N ATOM 0 H ARG A 67 -10.947 -9.622 0.899 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.659 -7.081 -0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.851 -9.218 -0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.835 -9.062 -2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.516 -6.668 -0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.711 -7.613 -2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.457 -6.376 -2.470 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.978 -5.494 -2.793 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.731 -7.994 -4.101 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.420 -5.769 -4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.442 -5.702 -5.996 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.464 -7.524 -6.377 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.785 -6.685 -7.197 1.00 0.00 H new ATOM 1032 N TRP A 68 -13.834 -7.473 -1.340 1.00 0.00 N ATOM 1033 CA TRP A 68 -15.123 -7.666 -1.992 1.00 0.00 C ATOM 1034 C TRP A 68 -14.915 -8.102 -3.437 1.00 0.00 C ATOM 1035 O TRP A 68 -14.019 -7.563 -4.095 1.00 0.00 O ATOM 1036 CB TRP A 68 -15.873 -6.334 -2.023 1.00 0.00 C ATOM 1037 CG TRP A 68 -16.707 -6.016 -0.830 1.00 0.00 C ATOM 1038 CD1 TRP A 68 -16.270 -5.693 0.409 1.00 0.00 C ATOM 1039 CD2 TRP A 68 -18.158 -6.088 -0.741 1.00 0.00 C ATOM 1040 NE1 TRP A 68 -17.355 -5.425 1.217 1.00 0.00 N ATOM 1041 CE2 TRP A 68 -18.544 -5.671 0.561 1.00 0.00 C ATOM 1042 CE3 TRP A 68 -19.182 -6.513 -1.617 1.00 0.00 C ATOM 1043 CZ2 TRP A 68 -19.887 -5.625 0.950 1.00 0.00 C ATOM 1044 CZ3 TRP A 68 -20.528 -6.534 -1.207 1.00 0.00 C ATOM 1045 CH2 TRP A 68 -20.881 -6.084 0.073 1.00 0.00 C ATOM 0 H TRP A 68 -13.605 -6.498 -1.147 1.00 0.00 H new ATOM 0 HA TRP A 68 -15.683 -8.423 -1.442 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -15.144 -5.534 -2.153 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -16.517 -6.325 -2.902 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -15.236 -5.652 0.717 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -17.287 -5.088 2.177 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -18.927 -6.827 -2.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -20.157 -5.238 1.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -21.291 -6.898 -1.880 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -21.916 -6.091 0.383 1.00 0.00 H new ATOM 1056 N SER A 69 -15.725 -9.040 -3.923 1.00 0.00 N ATOM 1057 CA SER A 69 -15.664 -9.516 -5.296 1.00 0.00 C ATOM 1058 C SER A 69 -16.365 -8.452 -6.135 1.00 0.00 C ATOM 1059 O SER A 69 -17.375 -7.888 -5.708 1.00 0.00 O ATOM 1060 CB SER A 69 -16.382 -10.860 -5.424 1.00 0.00 C ATOM 1061 OG SER A 69 -16.275 -11.367 -6.745 1.00 0.00 O ATOM 0 H SER A 69 -16.449 -9.494 -3.365 1.00 0.00 H new ATOM 0 HA SER A 69 -14.636 -9.670 -5.624 1.00 0.00 H new ATOM 0 HB2 SER A 69 -15.954 -11.574 -4.720 1.00 0.00 H new ATOM 0 HB3 SER A 69 -17.433 -10.742 -5.159 1.00 0.00 H new ATOM 0 HG SER A 69 -16.740 -12.228 -6.804 1.00 0.00 H new ATOM 1067 N GLU A 70 -15.864 -8.167 -7.339 1.00 0.00 N ATOM 1068 CA GLU A 70 -16.478 -7.158 -8.195 1.00 0.00 C ATOM 1069 C GLU A 70 -17.904 -7.524 -8.605 1.00 0.00 C ATOM 1070 O GLU A 70 -18.689 -6.618 -8.891 1.00 0.00 O ATOM 1071 CB GLU A 70 -15.611 -6.889 -9.424 1.00 0.00 C ATOM 1072 CG GLU A 70 -14.361 -6.080 -9.063 1.00 0.00 C ATOM 1073 CD GLU A 70 -13.668 -5.543 -10.314 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -13.437 -6.326 -11.259 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -13.358 -4.326 -10.360 1.00 0.00 O ATOM 0 H GLU A 70 -15.041 -8.618 -7.738 1.00 0.00 H new ATOM 0 HA GLU A 70 -16.545 -6.243 -7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.315 -7.836 -9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.193 -6.348 -10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.637 -5.250 -8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.668 -6.707 -8.502 1.00 0.00 H new ATOM 1082 N GLU A 71 -18.256 -8.810 -8.627 1.00 0.00 N ATOM 1083 CA GLU A 71 -19.598 -9.261 -8.988 1.00 0.00 C ATOM 1084 C GLU A 71 -20.573 -8.757 -7.922 1.00 0.00 C ATOM 1085 O GLU A 71 -21.595 -8.146 -8.234 1.00 0.00 O ATOM 1086 CB GLU A 71 -19.635 -10.778 -9.150 1.00 0.00 C ATOM 1087 CG GLU A 71 -18.646 -11.233 -10.237 1.00 0.00 C ATOM 1088 CD GLU A 71 -18.669 -12.737 -10.497 1.00 0.00 C ATOM 1089 OE1 GLU A 71 -19.416 -13.474 -9.811 1.00 0.00 O ATOM 1090 OE2 GLU A 71 -17.925 -13.184 -11.403 1.00 0.00 O ATOM 0 H GLU A 71 -17.616 -9.569 -8.394 1.00 0.00 H new ATOM 0 HA GLU A 71 -19.894 -8.851 -9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -19.387 -11.256 -8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -20.644 -11.096 -9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -18.874 -10.709 -11.165 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.638 -10.939 -9.945 1.00 0.00 H new ATOM 1097 N GLU A 72 -20.210 -8.910 -6.647 1.00 0.00 N ATOM 1098 CA GLU A 72 -21.022 -8.460 -5.522 1.00 0.00 C ATOM 1099 C GLU A 72 -21.127 -6.924 -5.543 1.00 0.00 C ATOM 1100 O GLU A 72 -22.073 -6.345 -5.010 1.00 0.00 O ATOM 1101 CB GLU A 72 -20.409 -8.972 -4.215 1.00 0.00 C ATOM 1102 CG GLU A 72 -20.812 -10.414 -3.858 1.00 0.00 C ATOM 1103 CD GLU A 72 -20.642 -11.469 -4.964 1.00 0.00 C ATOM 1104 OE1 GLU A 72 -19.559 -11.546 -5.587 1.00 0.00 O ATOM 1105 OE2 GLU A 72 -21.593 -12.260 -5.162 1.00 0.00 O ATOM 0 H GLU A 72 -19.336 -9.354 -6.367 1.00 0.00 H new ATOM 0 HA GLU A 72 -22.032 -8.863 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.323 -8.917 -4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.707 -8.310 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.226 -10.728 -2.994 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -21.857 -10.409 -3.549 1.00 0.00 H new ATOM 1112 N LEU A 73 -20.148 -6.235 -6.139 1.00 0.00 N ATOM 1113 CA LEU A 73 -20.170 -4.780 -6.248 1.00 0.00 C ATOM 1114 C LEU A 73 -21.099 -4.317 -7.385 1.00 0.00 C ATOM 1115 O LEU A 73 -21.601 -3.187 -7.314 1.00 0.00 O ATOM 1116 CB LEU A 73 -18.759 -4.205 -6.469 1.00 0.00 C ATOM 1117 CG LEU A 73 -17.738 -4.499 -5.357 1.00 0.00 C ATOM 1118 CD1 LEU A 73 -16.380 -3.901 -5.730 1.00 0.00 C ATOM 1119 CD2 LEU A 73 -18.187 -3.933 -4.014 1.00 0.00 C ATOM 0 H LEU A 73 -19.325 -6.671 -6.556 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.555 -4.401 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.369 -4.598 -7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.841 -3.124 -6.585 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.658 -5.582 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -15.660 -4.112 -4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -16.032 -4.342 -6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -16.479 -2.822 -5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -17.439 -4.161 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -18.303 -2.852 -4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.140 -4.380 -3.731 1.00 0.00 H new ATOM 1131 N LYS A 74 -21.320 -5.123 -8.436 1.00 0.00 N ATOM 1132 CA LYS A 74 -22.171 -4.754 -9.581 1.00 0.00 C ATOM 1133 C LYS A 74 -23.592 -5.289 -9.510 1.00 0.00 C ATOM 1134 O LYS A 74 -24.442 -4.752 -10.230 1.00 0.00 O ATOM 1135 CB LYS A 74 -21.543 -5.165 -10.918 1.00 0.00 C ATOM 1136 CG LYS A 74 -21.322 -6.664 -11.081 1.00 0.00 C ATOM 1137 CD LYS A 74 -20.519 -7.020 -12.334 1.00 0.00 C ATOM 1138 CE LYS A 74 -21.266 -6.725 -13.641 1.00 0.00 C ATOM 1139 NZ LYS A 74 -22.279 -7.751 -13.949 1.00 0.00 N ATOM 0 H LYS A 74 -20.912 -6.054 -8.517 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.236 -3.668 -9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.183 -4.815 -11.728 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -20.585 -4.656 -11.026 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.802 -7.046 -10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.289 -7.165 -11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -19.582 -6.463 -12.326 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.261 -8.079 -12.303 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -21.749 -5.750 -13.569 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.550 -6.666 -14.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -22.758 -7.510 -14.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.817 -8.678 -14.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -22.978 -7.790 -13.180 1.00 0.00 H new ATOM 1321 N ARG A 86 -23.440 -6.706 3.873 1.00 0.00 N ATOM 1322 CA ARG A 86 -22.151 -6.543 4.537 1.00 0.00 C ATOM 1323 C ARG A 86 -21.648 -5.113 4.359 1.00 0.00 C ATOM 1324 O ARG A 86 -21.974 -4.474 3.353 1.00 0.00 O ATOM 1325 CB ARG A 86 -21.173 -7.570 3.930 1.00 0.00 C ATOM 1326 CG ARG A 86 -20.119 -8.050 4.922 1.00 0.00 C ATOM 1327 CD ARG A 86 -20.664 -9.088 5.896 1.00 0.00 C ATOM 1328 NE ARG A 86 -19.625 -9.435 6.868 1.00 0.00 N ATOM 1329 CZ ARG A 86 -19.830 -9.868 8.111 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -21.055 -10.127 8.573 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -18.769 -10.038 8.881 1.00 0.00 N ATOM 0 HA ARG A 86 -22.240 -6.720 5.609 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.737 -8.428 3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -20.676 -7.125 3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.278 -8.476 4.375 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -19.736 -7.197 5.482 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -21.542 -8.695 6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -20.983 -9.979 5.355 1.00 0.00 H new ATOM 0 HE ARG A 86 -18.656 -9.336 6.566 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -21.866 -9.994 7.969 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -21.180 -10.458 9.530 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -17.837 -9.839 8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -18.882 -10.368 9.839 1.00 0.00 H new ATOM 1345 N GLU A 87 -20.857 -4.598 5.297 1.00 0.00 N ATOM 1346 CA GLU A 87 -20.309 -3.248 5.209 1.00 0.00 C ATOM 1347 C GLU A 87 -19.268 -3.171 4.084 1.00 0.00 C ATOM 1348 O GLU A 87 -18.752 -4.188 3.617 1.00 0.00 O ATOM 1349 CB GLU A 87 -19.762 -2.762 6.555 1.00 0.00 C ATOM 1350 CG GLU A 87 -18.486 -3.480 6.976 1.00 0.00 C ATOM 1351 CD GLU A 87 -18.161 -3.211 8.444 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -18.620 -3.991 9.313 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -17.428 -2.230 8.708 1.00 0.00 O ATOM 0 H GLU A 87 -20.579 -5.104 6.138 1.00 0.00 H new ATOM 0 HA GLU A 87 -21.119 -2.564 4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -19.567 -1.691 6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -20.523 -2.905 7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.599 -4.552 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -17.656 -3.150 6.351 1.00 0.00 H new ATOM 1360 N LYS A 88 -18.935 -1.958 3.645 1.00 0.00 N ATOM 1361 CA LYS A 88 -17.989 -1.711 2.572 1.00 0.00 C ATOM 1362 C LYS A 88 -17.095 -0.553 2.971 1.00 0.00 C ATOM 1363 O LYS A 88 -17.577 0.534 3.285 1.00 0.00 O ATOM 1364 CB LYS A 88 -18.814 -1.400 1.317 1.00 0.00 C ATOM 1365 CG LYS A 88 -17.990 -0.967 0.108 1.00 0.00 C ATOM 1366 CD LYS A 88 -18.897 -0.544 -1.049 1.00 0.00 C ATOM 1367 CE LYS A 88 -19.463 -1.787 -1.727 1.00 0.00 C ATOM 1368 NZ LYS A 88 -20.521 -1.463 -2.697 1.00 0.00 N ATOM 0 H LYS A 88 -19.328 -1.103 4.039 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.344 -2.567 2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.391 -2.285 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.529 -0.612 1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.338 -0.139 0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -17.346 -1.787 -0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -19.708 0.084 -0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.335 0.052 -1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.658 -2.319 -2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -19.862 -2.461 -0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -20.874 -2.340 -3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -21.302 -0.979 -2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -20.136 -0.841 -3.436 1.00 0.00 H new ATOM 1382 N LYS A 89 -15.791 -0.743 2.872 1.00 0.00 N ATOM 1383 CA LYS A 89 -14.782 0.252 3.212 1.00 0.00 C ATOM 1384 C LYS A 89 -14.034 0.627 1.934 1.00 0.00 C ATOM 1385 O LYS A 89 -13.129 -0.108 1.541 1.00 0.00 O ATOM 1386 CB LYS A 89 -13.854 -0.341 4.283 1.00 0.00 C ATOM 1387 CG LYS A 89 -14.618 -0.676 5.574 1.00 0.00 C ATOM 1388 CD LYS A 89 -13.783 -1.569 6.490 1.00 0.00 C ATOM 1389 CE LYS A 89 -14.694 -2.051 7.607 1.00 0.00 C ATOM 1390 NZ LYS A 89 -13.973 -2.364 8.857 1.00 0.00 N ATOM 0 H LYS A 89 -15.390 -1.621 2.543 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.224 1.159 3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.381 -1.243 3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.056 0.367 4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.877 0.245 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.554 -1.177 5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.376 -2.414 5.935 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.936 -1.017 6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.444 -1.286 7.810 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.228 -2.940 7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.652 -2.670 9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.288 -3.126 8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.470 -1.516 9.189 1.00 0.00 H new ATOM 1404 N PRO A 90 -14.414 1.716 1.245 1.00 0.00 N ATOM 1405 CA PRO A 90 -13.768 2.162 0.021 1.00 0.00 C ATOM 1406 C PRO A 90 -12.363 2.729 0.230 1.00 0.00 C ATOM 1407 O PRO A 90 -12.149 3.816 0.780 1.00 0.00 O ATOM 1408 CB PRO A 90 -14.664 3.238 -0.583 1.00 0.00 C ATOM 1409 CG PRO A 90 -15.356 3.799 0.653 1.00 0.00 C ATOM 1410 CD PRO A 90 -15.485 2.625 1.605 1.00 0.00 C ATOM 0 HA PRO A 90 -13.641 1.299 -0.632 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -14.090 3.999 -1.111 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -15.376 2.824 -1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.773 4.605 1.099 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.333 4.213 0.403 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -15.394 2.948 2.642 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -16.458 2.144 1.506 1.00 0.00 H new ATOM 1418 N LEU A 91 -11.389 1.990 -0.276 1.00 0.00 N ATOM 1419 CA LEU A 91 -9.978 2.312 -0.248 1.00 0.00 C ATOM 1420 C LEU A 91 -9.711 3.027 -1.579 1.00 0.00 C ATOM 1421 O LEU A 91 -10.226 2.586 -2.615 1.00 0.00 O ATOM 1422 CB LEU A 91 -9.174 1.002 -0.118 1.00 0.00 C ATOM 1423 CG LEU A 91 -9.656 0.022 0.977 1.00 0.00 C ATOM 1424 CD1 LEU A 91 -8.803 -1.241 0.942 1.00 0.00 C ATOM 1425 CD2 LEU A 91 -9.646 0.592 2.396 1.00 0.00 C ATOM 0 H LEU A 91 -11.576 1.102 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.686 2.945 0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.199 0.486 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.133 1.255 0.081 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.699 -0.189 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.143 -1.931 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.895 -1.715 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.760 -0.981 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.999 -0.166 3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.631 0.887 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.301 1.462 2.443 1.00 0.00 H new ATOM 1437 N ARG A 92 -9.013 4.171 -1.568 1.00 0.00 N ATOM 1438 CA ARG A 92 -8.672 4.949 -2.768 1.00 0.00 C ATOM 1439 C ARG A 92 -7.219 5.381 -2.638 1.00 0.00 C ATOM 1440 O ARG A 92 -6.922 6.182 -1.746 1.00 0.00 O ATOM 1441 CB ARG A 92 -9.537 6.209 -2.982 1.00 0.00 C ATOM 1442 CG ARG A 92 -11.056 6.033 -3.040 1.00 0.00 C ATOM 1443 CD ARG A 92 -11.664 5.994 -1.638 1.00 0.00 C ATOM 1444 NE ARG A 92 -13.073 6.415 -1.610 1.00 0.00 N ATOM 1445 CZ ARG A 92 -13.718 6.744 -0.483 1.00 0.00 C ATOM 1446 NH1 ARG A 92 -13.173 6.484 0.702 1.00 0.00 N ATOM 1447 NH2 ARG A 92 -14.913 7.316 -0.540 1.00 0.00 N ATOM 0 H ARG A 92 -8.662 4.590 -0.707 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.855 4.305 -3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.312 6.910 -2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.219 6.679 -3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.498 6.852 -3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.298 5.111 -3.569 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.585 4.982 -1.242 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.084 6.640 -0.979 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.584 6.459 -2.492 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.260 6.032 0.755 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.668 6.736 1.557 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.344 7.507 -1.444 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.401 7.565 0.321 1.00 0.00 H new ATOM 1461 N TYR A 93 -6.324 4.811 -3.442 1.00 0.00 N ATOM 1462 CA TYR A 93 -4.905 5.157 -3.404 1.00 0.00 C ATOM 1463 C TYR A 93 -4.575 6.245 -4.422 1.00 0.00 C ATOM 1464 O TYR A 93 -5.086 6.277 -5.544 1.00 0.00 O ATOM 1465 CB TYR A 93 -4.015 3.945 -3.611 1.00 0.00 C ATOM 1466 CG TYR A 93 -4.153 2.848 -2.577 1.00 0.00 C ATOM 1467 CD1 TYR A 93 -3.475 2.924 -1.344 1.00 0.00 C ATOM 1468 CD2 TYR A 93 -4.973 1.745 -2.855 1.00 0.00 C ATOM 1469 CE1 TYR A 93 -3.667 1.924 -0.371 1.00 0.00 C ATOM 1470 CE2 TYR A 93 -5.190 0.764 -1.873 1.00 0.00 C ATOM 1471 CZ TYR A 93 -4.530 0.838 -0.628 1.00 0.00 C ATOM 1472 OH TYR A 93 -4.746 -0.144 0.290 1.00 0.00 O ATOM 0 H TYR A 93 -6.560 4.100 -4.134 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.702 5.545 -2.406 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.229 3.523 -4.593 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.977 4.277 -3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.808 3.750 -1.145 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -5.438 1.650 -3.825 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.151 1.989 0.576 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.867 -0.053 -2.073 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.650 -0.505 0.176 1.00 0.00 H new ATOM 1482 N GLY A 94 -3.667 7.094 -3.982 1.00 0.00 N ATOM 1483 CA GLY A 94 -3.018 8.272 -4.432 1.00 0.00 C ATOM 1484 C GLY A 94 -1.637 8.155 -5.056 1.00 0.00 C ATOM 1485 O GLY A 94 -1.047 7.073 -5.143 1.00 0.00 O ATOM 0 H GLY A 94 -3.290 6.891 -3.056 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.671 8.750 -5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.940 8.951 -3.583 1.00 0.00 H new ATOM 1489 N LYS A 95 -1.220 9.248 -5.694 1.00 0.00 N ATOM 1490 CA LYS A 95 0.089 9.331 -6.336 1.00 0.00 C ATOM 1491 C LYS A 95 1.180 9.253 -5.232 1.00 0.00 C ATOM 1492 O LYS A 95 0.871 9.310 -4.041 1.00 0.00 O ATOM 1493 CB LYS A 95 0.123 10.653 -7.120 1.00 0.00 C ATOM 1494 CG LYS A 95 1.350 10.832 -8.027 1.00 0.00 C ATOM 1495 CD LYS A 95 1.188 12.038 -8.969 1.00 0.00 C ATOM 1496 CE LYS A 95 0.098 11.859 -10.034 1.00 0.00 C ATOM 1497 NZ LYS A 95 0.486 10.950 -11.130 1.00 0.00 N ATOM 0 H LYS A 95 -1.778 10.097 -5.780 1.00 0.00 H new ATOM 0 HA LYS A 95 0.276 8.513 -7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.777 10.720 -7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.089 11.481 -6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.240 10.967 -7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.503 9.928 -8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.958 12.922 -8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.139 12.227 -9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.804 11.476 -9.557 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.152 12.834 -10.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.072 11.286 -12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.522 10.931 -11.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.138 9.992 -10.926 1.00 0.00 H new ATOM 1511 N VAL A 96 2.450 9.063 -5.604 1.00 0.00 N ATOM 1512 CA VAL A 96 3.571 8.926 -4.671 1.00 0.00 C ATOM 1513 C VAL A 96 4.616 10.024 -4.895 1.00 0.00 C ATOM 1514 O VAL A 96 4.907 10.428 -6.030 1.00 0.00 O ATOM 1515 CB VAL A 96 4.149 7.494 -4.764 1.00 0.00 C ATOM 1516 CG1 VAL A 96 5.303 7.242 -3.788 1.00 0.00 C ATOM 1517 CG2 VAL A 96 3.078 6.432 -4.460 1.00 0.00 C ATOM 0 H VAL A 96 2.732 8.999 -6.582 1.00 0.00 H new ATOM 0 HA VAL A 96 3.219 9.066 -3.649 1.00 0.00 H new ATOM 0 HB VAL A 96 4.512 7.413 -5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.662 6.219 -3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.115 7.938 -3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.954 7.389 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.520 5.438 -4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.692 6.583 -3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.263 6.522 -5.178 1.00 0.00 H new ATOM 1527 N TYR A 97 5.229 10.471 -3.796 1.00 0.00 N ATOM 1528 CA TYR A 97 6.232 11.523 -3.743 1.00 0.00 C ATOM 1529 C TYR A 97 7.492 11.079 -2.998 1.00 0.00 C ATOM 1530 O TYR A 97 7.516 10.004 -2.408 1.00 0.00 O ATOM 1531 CB TYR A 97 5.609 12.765 -3.080 1.00 0.00 C ATOM 1532 CG TYR A 97 4.194 13.095 -3.525 1.00 0.00 C ATOM 1533 CD1 TYR A 97 3.064 12.486 -2.932 1.00 0.00 C ATOM 1534 CD2 TYR A 97 4.015 14.042 -4.537 1.00 0.00 C ATOM 1535 CE1 TYR A 97 1.760 12.786 -3.372 1.00 0.00 C ATOM 1536 CE2 TYR A 97 2.721 14.370 -4.972 1.00 0.00 C ATOM 1537 CZ TYR A 97 1.597 13.703 -4.441 1.00 0.00 C ATOM 1538 OH TYR A 97 0.381 13.964 -4.993 1.00 0.00 O ATOM 0 H TYR A 97 5.024 10.085 -2.874 1.00 0.00 H new ATOM 0 HA TYR A 97 6.544 11.762 -4.760 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.608 12.619 -2.000 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.247 13.625 -3.285 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.203 11.779 -2.128 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.873 14.522 -4.985 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.902 12.327 -2.904 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.585 15.139 -5.719 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.147 14.513 -4.376 1.00 0.00 H new ATOM 1548 N SER A 98 8.531 11.912 -3.017 1.00 0.00 N ATOM 1549 CA SER A 98 9.830 11.702 -2.389 1.00 0.00 C ATOM 1550 C SER A 98 9.972 12.583 -1.150 1.00 0.00 C ATOM 1551 O SER A 98 9.496 13.729 -1.142 1.00 0.00 O ATOM 1552 CB SER A 98 10.880 12.056 -3.449 1.00 0.00 C ATOM 1553 OG SER A 98 12.172 12.319 -2.950 1.00 0.00 O ATOM 0 H SER A 98 8.483 12.808 -3.503 1.00 0.00 H new ATOM 0 HA SER A 98 9.952 10.672 -2.053 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.944 11.235 -4.163 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.536 12.931 -4.000 1.00 0.00 H new ATOM 0 HG SER A 98 12.773 12.533 -3.694 1.00 0.00 H new ATOM 1559 N THR A 99 10.638 12.055 -0.121 1.00 0.00 N ATOM 1560 CA THR A 99 10.896 12.748 1.133 1.00 0.00 C ATOM 1561 C THR A 99 12.187 13.549 0.981 1.00 0.00 C ATOM 1562 O THR A 99 13.233 13.204 1.535 1.00 0.00 O ATOM 1563 CB THR A 99 10.994 11.760 2.300 1.00 0.00 C ATOM 1564 OG1 THR A 99 11.831 10.670 1.998 1.00 0.00 O ATOM 1565 CG2 THR A 99 9.643 11.166 2.670 1.00 0.00 C ATOM 0 H THR A 99 11.020 11.110 -0.142 1.00 0.00 H new ATOM 0 HA THR A 99 10.069 13.421 1.358 1.00 0.00 H new ATOM 0 HB THR A 99 11.396 12.346 3.126 1.00 0.00 H new ATOM 0 HG1 THR A 99 12.697 11.001 1.681 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.766 10.472 3.502 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.962 11.965 2.962 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.232 10.634 1.812 1.00 0.00 H new ATOM 1669 N ASP A 107 14.494 5.405 -0.059 1.00 0.00 N ATOM 1670 CA ASP A 107 14.181 4.547 1.084 1.00 0.00 C ATOM 1671 C ASP A 107 12.856 5.015 1.643 1.00 0.00 C ATOM 1672 O ASP A 107 11.968 4.196 1.862 1.00 0.00 O ATOM 1673 CB ASP A 107 15.289 4.455 2.145 1.00 0.00 C ATOM 1674 CG ASP A 107 15.063 5.288 3.420 1.00 0.00 C ATOM 1675 OD1 ASP A 107 15.219 6.527 3.369 1.00 0.00 O ATOM 1676 OD2 ASP A 107 14.814 4.696 4.500 1.00 0.00 O ATOM 0 HA ASP A 107 14.108 3.515 0.740 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.406 3.410 2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.229 4.768 1.690 1.00 0.00 H new ATOM 1681 N GLU A 108 12.670 6.318 1.790 1.00 0.00 N ATOM 1682 CA GLU A 108 11.441 6.877 2.299 1.00 0.00 C ATOM 1683 C GLU A 108 10.824 7.651 1.153 1.00 0.00 C ATOM 1684 O GLU A 108 11.489 8.291 0.338 1.00 0.00 O ATOM 1685 CB GLU A 108 11.749 7.706 3.539 1.00 0.00 C ATOM 1686 CG GLU A 108 11.746 6.828 4.793 1.00 0.00 C ATOM 1687 CD GLU A 108 12.303 7.531 6.022 1.00 0.00 C ATOM 1688 OE1 GLU A 108 12.684 8.718 5.968 1.00 0.00 O ATOM 1689 OE2 GLU A 108 12.301 6.912 7.104 1.00 0.00 O ATOM 0 H GLU A 108 13.376 7.016 1.556 1.00 0.00 H new ATOM 0 HA GLU A 108 10.719 6.131 2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.721 8.187 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.010 8.501 3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.726 6.505 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.332 5.929 4.600 1.00 0.00 H new ATOM 1696 N ILE A 109 9.509 7.559 1.096 1.00 0.00 N ATOM 1697 CA ILE A 109 8.668 8.164 0.081 1.00 0.00 C ATOM 1698 C ILE A 109 7.363 8.605 0.744 1.00 0.00 C ATOM 1699 O ILE A 109 7.204 8.464 1.954 1.00 0.00 O ATOM 1700 CB ILE A 109 8.525 7.159 -1.094 1.00 0.00 C ATOM 1701 CG1 ILE A 109 8.011 5.762 -0.679 1.00 0.00 C ATOM 1702 CG2 ILE A 109 9.884 6.998 -1.806 1.00 0.00 C ATOM 1703 CD1 ILE A 109 6.492 5.724 -0.573 1.00 0.00 C ATOM 0 H ILE A 109 8.973 7.036 1.789 1.00 0.00 H new ATOM 0 HA ILE A 109 9.094 9.067 -0.357 1.00 0.00 H new ATOM 0 HB ILE A 109 7.772 7.584 -1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.343 5.022 -1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.449 5.484 0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.782 6.292 -2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.208 7.964 -2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.624 6.624 -1.098 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.173 4.724 -0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.161 6.445 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.053 5.976 -1.539 1.00 0.00 H new ATOM 1715 N ILE A 110 6.397 9.137 -0.001 1.00 0.00 N ATOM 1716 CA ILE A 110 5.133 9.601 0.557 1.00 0.00 C ATOM 1717 C ILE A 110 4.003 9.078 -0.320 1.00 0.00 C ATOM 1718 O ILE A 110 3.929 9.416 -1.497 1.00 0.00 O ATOM 1719 CB ILE A 110 5.148 11.136 0.696 1.00 0.00 C ATOM 1720 CG1 ILE A 110 6.505 11.641 1.244 1.00 0.00 C ATOM 1721 CG2 ILE A 110 3.995 11.556 1.616 1.00 0.00 C ATOM 1722 CD1 ILE A 110 6.674 13.145 1.270 1.00 0.00 C ATOM 0 H ILE A 110 6.471 9.258 -1.011 1.00 0.00 H new ATOM 0 HA ILE A 110 4.976 9.214 1.564 1.00 0.00 H new ATOM 0 HB ILE A 110 5.017 11.587 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.633 11.260 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.304 11.213 0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.992 12.641 1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.048 11.232 1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.124 11.094 2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.657 13.394 1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.584 13.539 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 110 5.903 13.587 1.901 1.00 0.00 H new ATOM 1734 N VAL A 111 3.172 8.206 0.235 1.00 0.00 N ATOM 1735 CA VAL A 111 2.027 7.561 -0.392 1.00 0.00 C ATOM 1736 C VAL A 111 0.756 8.333 -0.100 1.00 0.00 C ATOM 1737 O VAL A 111 0.469 8.619 1.058 1.00 0.00 O ATOM 1738 CB VAL A 111 1.908 6.152 0.227 1.00 0.00 C ATOM 1739 CG1 VAL A 111 0.520 5.481 0.123 1.00 0.00 C ATOM 1740 CG2 VAL A 111 3.018 5.285 -0.369 1.00 0.00 C ATOM 0 H VAL A 111 3.289 7.910 1.204 1.00 0.00 H new ATOM 0 HA VAL A 111 2.164 7.519 -1.473 1.00 0.00 H new ATOM 0 HB VAL A 111 2.028 6.263 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.556 4.497 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.221 6.098 0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.245 5.374 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.960 4.281 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.898 5.234 -1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.988 5.722 -0.131 1.00 0.00 H new ATOM 1750 N GLU A 112 -0.018 8.683 -1.118 1.00 0.00 N ATOM 1751 CA GLU A 112 -1.275 9.369 -0.872 1.00 0.00 C ATOM 1752 C GLU A 112 -2.341 8.269 -0.730 1.00 0.00 C ATOM 1753 O GLU A 112 -2.349 7.304 -1.501 1.00 0.00 O ATOM 1754 CB GLU A 112 -1.613 10.295 -2.025 1.00 0.00 C ATOM 1755 CG GLU A 112 -3.048 10.886 -1.990 1.00 0.00 C ATOM 1756 CD GLU A 112 -3.471 11.633 -3.267 1.00 0.00 C ATOM 1757 OE1 GLU A 112 -3.026 11.275 -4.383 1.00 0.00 O ATOM 1758 OE2 GLU A 112 -4.313 12.558 -3.156 1.00 0.00 O ATOM 0 H GLU A 112 0.196 8.508 -2.100 1.00 0.00 H new ATOM 0 HA GLU A 112 -1.221 9.987 0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.897 11.117 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.483 9.750 -2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.755 10.076 -1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.123 11.570 -1.144 1.00 0.00 H new ATOM 1765 N PHE A 113 -3.262 8.403 0.215 1.00 0.00 N ATOM 1766 CA PHE A 113 -4.354 7.474 0.449 1.00 0.00 C ATOM 1767 C PHE A 113 -5.505 8.279 1.031 1.00 0.00 C ATOM 1768 O PHE A 113 -5.261 9.214 1.783 1.00 0.00 O ATOM 1769 CB PHE A 113 -3.927 6.350 1.397 1.00 0.00 C ATOM 1770 CG PHE A 113 -5.002 5.297 1.576 1.00 0.00 C ATOM 1771 CD1 PHE A 113 -5.507 4.620 0.455 1.00 0.00 C ATOM 1772 CD2 PHE A 113 -5.507 4.986 2.847 1.00 0.00 C ATOM 1773 CE1 PHE A 113 -6.506 3.651 0.576 1.00 0.00 C ATOM 1774 CE2 PHE A 113 -6.509 4.010 2.979 1.00 0.00 C ATOM 1775 CZ PHE A 113 -7.019 3.351 1.848 1.00 0.00 C ATOM 0 H PHE A 113 -3.267 9.191 0.862 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.657 6.993 -0.481 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.023 5.879 1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.675 6.775 2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -5.114 4.854 -0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.127 5.495 3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.879 3.139 -0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.891 3.764 3.959 1.00 0.00 H new ATOM 0 HZ PHE A 113 -7.803 2.616 1.957 1.00 0.00 H new ATOM 1785 N ASN A 114 -6.765 7.947 0.721 1.00 0.00 N ATOM 1786 CA ASN A 114 -7.935 8.683 1.229 1.00 0.00 C ATOM 1787 C ASN A 114 -7.731 10.210 1.089 1.00 0.00 C ATOM 1788 O ASN A 114 -8.109 10.976 1.978 1.00 0.00 O ATOM 1789 CB ASN A 114 -8.263 8.310 2.697 1.00 0.00 C ATOM 1790 CG ASN A 114 -8.734 6.892 2.966 1.00 0.00 C ATOM 1791 OD1 ASN A 114 -8.240 6.236 3.872 1.00 0.00 O ATOM 1792 ND2 ASN A 114 -9.744 6.404 2.259 1.00 0.00 N ATOM 0 H ASN A 114 -7.004 7.164 0.113 1.00 0.00 H new ATOM 0 HA ASN A 114 -8.788 8.389 0.618 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.371 8.489 3.298 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.032 8.995 3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -10.113 5.477 2.470 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -10.152 6.956 1.504 1.00 0.00 H new ATOM 1799 N ARG A 115 -7.158 10.663 -0.035 1.00 0.00 N ATOM 1800 CA ARG A 115 -6.866 12.068 -0.356 1.00 0.00 C ATOM 1801 C ARG A 115 -5.931 12.757 0.651 1.00 0.00 C ATOM 1802 O ARG A 115 -6.029 13.968 0.823 1.00 0.00 O ATOM 1803 CB ARG A 115 -8.148 12.895 -0.605 1.00 0.00 C ATOM 1804 CG ARG A 115 -9.201 12.222 -1.500 1.00 0.00 C ATOM 1805 CD ARG A 115 -10.363 11.605 -0.704 1.00 0.00 C ATOM 1806 NE ARG A 115 -11.632 12.306 -0.957 1.00 0.00 N ATOM 1807 CZ ARG A 115 -12.186 13.294 -0.243 1.00 0.00 C ATOM 1808 NH1 ARG A 115 -11.624 13.762 0.866 1.00 0.00 N ATOM 1809 NH2 ARG A 115 -13.320 13.827 -0.678 1.00 0.00 N ATOM 0 H ARG A 115 -6.872 10.029 -0.781 1.00 0.00 H new ATOM 0 HA ARG A 115 -6.313 12.031 -1.295 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.606 13.123 0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -7.865 13.846 -1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.598 12.957 -2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.721 11.444 -2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -10.469 10.554 -0.972 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -10.134 11.641 0.361 1.00 0.00 H new ATOM 0 HE ARG A 115 -12.154 12.001 -1.778 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -10.744 13.368 1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -12.073 14.516 1.386 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -13.749 13.483 -1.537 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -13.763 14.581 -0.153 1.00 0.00 H new ATOM 1823 N GLU A 116 -5.054 12.022 1.332 1.00 0.00 N ATOM 1824 CA GLU A 116 -4.107 12.543 2.309 1.00 0.00 C ATOM 1825 C GLU A 116 -2.749 11.906 2.043 1.00 0.00 C ATOM 1826 O GLU A 116 -2.690 10.745 1.642 1.00 0.00 O ATOM 1827 CB GLU A 116 -4.608 12.211 3.725 1.00 0.00 C ATOM 1828 CG GLU A 116 -5.621 13.226 4.268 1.00 0.00 C ATOM 1829 CD GLU A 116 -4.994 14.552 4.702 1.00 0.00 C ATOM 1830 OE1 GLU A 116 -4.146 15.120 3.977 1.00 0.00 O ATOM 1831 OE2 GLU A 116 -5.349 15.033 5.798 1.00 0.00 O ATOM 0 H GLU A 116 -4.983 11.012 1.213 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.015 13.626 2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.065 11.222 3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.755 12.163 4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.371 13.423 3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.142 12.786 5.118 1.00 0.00 H new ATOM 1838 N TYR A 117 -1.657 12.637 2.264 1.00 0.00 N ATOM 1839 CA TYR A 117 -0.299 12.159 2.031 1.00 0.00 C ATOM 1840 C TYR A 117 0.270 11.529 3.298 1.00 0.00 C ATOM 1841 O TYR A 117 0.318 12.156 4.354 1.00 0.00 O ATOM 1842 CB TYR A 117 0.553 13.337 1.531 1.00 0.00 C ATOM 1843 CG TYR A 117 0.128 13.983 0.212 1.00 0.00 C ATOM 1844 CD1 TYR A 117 -0.875 13.425 -0.602 1.00 0.00 C ATOM 1845 CD2 TYR A 117 0.756 15.171 -0.206 1.00 0.00 C ATOM 1846 CE1 TYR A 117 -1.255 14.039 -1.803 1.00 0.00 C ATOM 1847 CE2 TYR A 117 0.410 15.777 -1.431 1.00 0.00 C ATOM 1848 CZ TYR A 117 -0.615 15.215 -2.224 1.00 0.00 C ATOM 1849 OH TYR A 117 -0.964 15.741 -3.429 1.00 0.00 O ATOM 0 H TYR A 117 -1.694 13.594 2.616 1.00 0.00 H new ATOM 0 HA TYR A 117 -0.295 11.379 1.269 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.554 14.107 2.302 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.581 12.992 1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -1.359 12.509 -0.296 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.512 15.624 0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -2.041 13.607 -2.405 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.926 16.666 -1.761 1.00 0.00 H new ATOM 0 HH TYR A 117 -0.443 16.555 -3.594 1.00 0.00 H new ATOM 1859 N TYR A 118 0.804 10.316 3.178 1.00 0.00 N ATOM 1860 CA TYR A 118 1.381 9.561 4.291 1.00 0.00 C ATOM 1861 C TYR A 118 2.838 9.219 4.021 1.00 0.00 C ATOM 1862 O TYR A 118 3.144 8.551 3.031 1.00 0.00 O ATOM 1863 CB TYR A 118 0.580 8.280 4.551 1.00 0.00 C ATOM 1864 CG TYR A 118 -0.836 8.544 5.011 1.00 0.00 C ATOM 1865 CD1 TYR A 118 -1.105 8.789 6.370 1.00 0.00 C ATOM 1866 CD2 TYR A 118 -1.873 8.619 4.067 1.00 0.00 C ATOM 1867 CE1 TYR A 118 -2.416 9.083 6.789 1.00 0.00 C ATOM 1868 CE2 TYR A 118 -3.175 8.949 4.474 1.00 0.00 C ATOM 1869 CZ TYR A 118 -3.459 9.182 5.838 1.00 0.00 C ATOM 1870 OH TYR A 118 -4.716 9.540 6.224 1.00 0.00 O ATOM 0 H TYR A 118 0.849 9.820 2.288 1.00 0.00 H new ATOM 0 HA TYR A 118 1.333 10.191 5.179 1.00 0.00 H new ATOM 0 HB2 TYR A 118 0.553 7.685 3.638 1.00 0.00 H new ATOM 0 HB3 TYR A 118 1.095 7.684 5.305 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -0.304 8.751 7.093 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -1.668 8.422 3.025 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -2.626 9.233 7.838 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -3.964 9.025 3.740 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.306 9.559 5.441 1.00 0.00 H new ATOM 1880 N ARG A 119 3.761 9.746 4.832 1.00 0.00 N ATOM 1881 CA ARG A 119 5.176 9.451 4.663 1.00 0.00 C ATOM 1882 C ARG A 119 5.338 7.982 4.999 1.00 0.00 C ATOM 1883 O ARG A 119 4.918 7.532 6.069 1.00 0.00 O ATOM 1884 CB ARG A 119 6.076 10.360 5.503 1.00 0.00 C ATOM 1885 CG ARG A 119 7.563 10.093 5.203 1.00 0.00 C ATOM 1886 CD ARG A 119 8.261 9.050 6.086 1.00 0.00 C ATOM 1887 NE ARG A 119 8.263 9.450 7.504 1.00 0.00 N ATOM 1888 CZ ARG A 119 9.079 9.010 8.470 1.00 0.00 C ATOM 1889 NH1 ARG A 119 10.049 8.137 8.244 1.00 0.00 N ATOM 1890 NH2 ARG A 119 8.932 9.446 9.709 1.00 0.00 N ATOM 0 H ARG A 119 3.549 10.375 5.606 1.00 0.00 H new ATOM 0 HA ARG A 119 5.496 9.650 3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.841 11.404 5.295 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.879 10.194 6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.650 9.774 4.164 1.00 0.00 H new ATOM 0 HG3 ARG A 119 8.104 11.035 5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 119 7.759 8.089 5.980 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.287 8.913 5.745 1.00 0.00 H new ATOM 0 HE ARG A 119 7.564 10.140 7.781 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.198 7.772 7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 119 10.647 7.829 9.011 1.00 0.00 H new ATOM 0 HH21 ARG A 119 8.197 10.118 9.929 1.00 0.00 H new ATOM 0 HH22 ARG A 119 9.554 9.111 10.445 1.00 0.00 H new ATOM 1904 N ALA A 120 5.923 7.249 4.065 1.00 0.00 N ATOM 1905 CA ALA A 120 6.164 5.829 4.164 1.00 0.00 C ATOM 1906 C ALA A 120 7.661 5.523 4.065 1.00 0.00 C ATOM 1907 O ALA A 120 8.437 6.354 3.595 1.00 0.00 O ATOM 1908 CB ALA A 120 5.348 5.130 3.078 1.00 0.00 C ATOM 0 H ALA A 120 6.253 7.648 3.186 1.00 0.00 H new ATOM 0 HA ALA A 120 5.845 5.453 5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.515 4.054 3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.289 5.341 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.658 5.495 2.099 1.00 0.00 H new ATOM 1914 N VAL A 121 8.057 4.302 4.417 1.00 0.00 N ATOM 1915 CA VAL A 121 9.443 3.842 4.415 1.00 0.00 C ATOM 1916 C VAL A 121 9.556 2.422 3.895 1.00 0.00 C ATOM 1917 O VAL A 121 8.696 1.590 4.161 1.00 0.00 O ATOM 1918 CB VAL A 121 9.984 3.942 5.851 1.00 0.00 C ATOM 1919 CG1 VAL A 121 9.135 3.214 6.869 1.00 0.00 C ATOM 1920 CG2 VAL A 121 11.452 3.543 5.994 1.00 0.00 C ATOM 0 H VAL A 121 7.401 3.583 4.721 1.00 0.00 H new ATOM 0 HA VAL A 121 10.033 4.470 3.747 1.00 0.00 H new ATOM 0 HB VAL A 121 9.921 5.008 6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.577 3.327 7.859 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.129 3.633 6.870 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.087 2.156 6.612 1.00 0.00 H new ATOM 0 HG21 VAL A 121 11.756 3.641 7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 121 11.581 2.509 5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.068 4.194 5.374 1.00 0.00 H new ATOM 1930 N LEU A 122 10.606 2.142 3.137 1.00 0.00 N ATOM 1931 CA LEU A 122 10.905 0.846 2.557 1.00 0.00 C ATOM 1932 C LEU A 122 11.101 -0.151 3.703 1.00 0.00 C ATOM 1933 O LEU A 122 11.870 0.125 4.619 1.00 0.00 O ATOM 1934 CB LEU A 122 12.125 1.051 1.656 1.00 0.00 C ATOM 1935 CG LEU A 122 12.479 -0.177 0.817 1.00 0.00 C ATOM 1936 CD1 LEU A 122 11.366 -0.469 -0.186 1.00 0.00 C ATOM 1937 CD2 LEU A 122 13.749 0.096 0.011 1.00 0.00 C ATOM 0 H LEU A 122 11.304 2.847 2.900 1.00 0.00 H new ATOM 0 HA LEU A 122 10.110 0.430 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.937 1.894 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 122 12.982 1.318 2.274 1.00 0.00 H new ATOM 0 HG LEU A 122 12.618 -1.020 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.630 -1.346 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.435 -0.659 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.237 0.389 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 122 13.997 -0.782 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 122 13.585 0.948 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 122 14.571 0.317 0.691 1.00 0.00 H new ATOM 1949 N ILE A 123 10.395 -1.284 3.678 1.00 0.00 N ATOM 1950 CA ILE A 123 10.455 -2.286 4.746 1.00 0.00 C ATOM 1951 C ILE A 123 11.577 -3.242 4.437 1.00 0.00 C ATOM 1952 O ILE A 123 12.420 -3.511 5.279 1.00 0.00 O ATOM 1953 CB ILE A 123 9.092 -2.993 4.852 1.00 0.00 C ATOM 1954 CG1 ILE A 123 8.045 -1.976 5.332 1.00 0.00 C ATOM 1955 CG2 ILE A 123 9.110 -4.170 5.841 1.00 0.00 C ATOM 1956 CD1 ILE A 123 6.651 -2.281 4.801 1.00 0.00 C ATOM 0 H ILE A 123 9.765 -1.533 2.916 1.00 0.00 H new ATOM 0 HA ILE A 123 10.658 -1.827 5.714 1.00 0.00 H new ATOM 0 HB ILE A 123 8.852 -3.389 3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 123 8.022 -1.970 6.422 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.341 -0.976 5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 123 8.123 -4.631 5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.844 -4.907 5.516 1.00 0.00 H new ATOM 0 HG23 ILE A 123 9.376 -3.807 6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.949 -1.533 5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.664 -2.260 3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.340 -3.269 5.141 1.00 0.00 H new