USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 423 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 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 50 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.018) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 1.24 K(o=1.2,f=-5.4!) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.617 USER MOD Single : A 29 ASN : amide:sc= -1.89 K(o=-1.9,f=-6.2!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= -0.0196 (180deg=-0.21) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= -0.0217 (180deg=-0.211) USER MOD Single : A 41 SER OG : rot 65:sc= 0.634 USER MOD Single : A 44 THR OG1 : rot -63:sc= -1.58! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 80:sc= -0.168 USER MOD Single : A 56 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.3) USER MOD Single : A 57 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 177 N PRO A 13 -9.793 1.240 6.165 1.00 0.00 N ATOM 178 CA PRO A 13 -8.980 2.460 6.179 1.00 0.00 C ATOM 179 C PRO A 13 -8.247 2.683 4.861 1.00 0.00 C ATOM 180 O PRO A 13 -8.505 1.996 3.872 1.00 0.00 O ATOM 181 CB PRO A 13 -7.981 2.208 7.311 1.00 0.00 C ATOM 182 CG PRO A 13 -7.868 0.724 7.393 1.00 0.00 C ATOM 183 CD PRO A 13 -9.122 0.117 6.841 1.00 0.00 C ATOM 0 HA PRO A 13 -9.588 3.353 6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.016 2.667 7.097 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.334 2.631 8.252 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.001 0.379 6.829 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.721 0.413 8.427 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.901 -0.693 6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.744 -0.302 7.632 1.00 0.00 H new ATOM 191 N TYR A 14 -7.333 3.647 4.853 1.00 0.00 N ATOM 192 CA TYR A 14 -6.563 3.961 3.656 1.00 0.00 C ATOM 193 C TYR A 14 -7.472 4.478 2.544 1.00 0.00 C ATOM 194 O TYR A 14 -8.278 3.732 1.989 1.00 0.00 O ATOM 195 CB TYR A 14 -5.802 2.725 3.174 1.00 0.00 C ATOM 196 CG TYR A 14 -5.028 2.026 4.268 1.00 0.00 C ATOM 197 CD1 TYR A 14 -3.947 2.644 4.885 1.00 0.00 C ATOM 198 CD2 TYR A 14 -5.376 0.747 4.685 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.236 2.009 5.884 1.00 0.00 C ATOM 200 CE2 TYR A 14 -4.672 0.105 5.685 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.603 0.740 6.281 1.00 0.00 C ATOM 202 OH TYR A 14 -2.898 0.103 7.277 1.00 0.00 O ATOM 0 H TYR A 14 -7.107 4.225 5.663 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.848 4.743 3.910 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.509 2.022 2.735 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.112 3.019 2.383 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.658 3.638 4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.212 0.246 4.219 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.397 2.503 6.352 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.957 -0.888 5.998 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.286 -0.783 7.437 1.00 0.00 H new ATOM 212 N SER A 15 -7.335 5.761 2.225 1.00 0.00 N ATOM 213 CA SER A 15 -8.145 6.381 1.183 1.00 0.00 C ATOM 214 C SER A 15 -7.758 5.848 -0.194 1.00 0.00 C ATOM 215 O SER A 15 -6.709 5.226 -0.360 1.00 0.00 O ATOM 216 CB SER A 15 -7.983 7.901 1.218 1.00 0.00 C ATOM 217 OG SER A 15 -9.125 8.548 0.684 1.00 0.00 O ATOM 0 H SER A 15 -6.670 6.392 2.673 1.00 0.00 H new ATOM 0 HA SER A 15 -9.189 6.130 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.822 8.229 2.245 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.099 8.189 0.649 1.00 0.00 H new ATOM 0 HG SER A 15 -8.997 9.519 0.719 1.00 0.00 H new ATOM 223 N LYS A 16 -8.614 6.098 -1.179 1.00 0.00 N ATOM 224 CA LYS A 16 -8.364 5.646 -2.543 1.00 0.00 C ATOM 225 C LYS A 16 -6.969 6.055 -3.004 1.00 0.00 C ATOM 226 O LYS A 16 -6.277 5.289 -3.674 1.00 0.00 O ATOM 227 CB LYS A 16 -9.416 6.222 -3.493 1.00 0.00 C ATOM 228 CG LYS A 16 -10.825 5.729 -3.212 1.00 0.00 C ATOM 229 CD LYS A 16 -11.104 4.409 -3.912 1.00 0.00 C ATOM 230 CE LYS A 16 -11.298 4.602 -5.408 1.00 0.00 C ATOM 231 NZ LYS A 16 -12.051 3.473 -6.020 1.00 0.00 N ATOM 0 H LYS A 16 -9.487 6.611 -1.058 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.428 4.558 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.400 7.310 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.148 5.965 -4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.962 5.608 -2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.546 6.477 -3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.277 3.721 -3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.996 3.951 -3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.833 5.535 -5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.325 4.694 -5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.162 3.642 -7.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.529 2.586 -5.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.989 3.401 -5.577 1.00 0.00 H new ATOM 245 N GLY A 17 -6.561 7.266 -2.639 1.00 0.00 N ATOM 246 CA GLY A 17 -5.249 7.754 -3.023 1.00 0.00 C ATOM 247 C GLY A 17 -4.126 6.994 -2.347 1.00 0.00 C ATOM 248 O GLY A 17 -3.147 6.618 -2.991 1.00 0.00 O ATOM 0 H GLY A 17 -7.115 7.918 -2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.138 7.674 -4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.170 8.812 -2.771 1.00 0.00 H new ATOM 252 N GLN A 18 -4.267 6.767 -1.045 1.00 0.00 N ATOM 253 CA GLN A 18 -3.254 6.048 -0.281 1.00 0.00 C ATOM 254 C GLN A 18 -3.113 4.614 -0.779 1.00 0.00 C ATOM 255 O GLN A 18 -2.002 4.099 -0.913 1.00 0.00 O ATOM 256 CB GLN A 18 -3.610 6.051 1.207 1.00 0.00 C ATOM 257 CG GLN A 18 -3.494 7.420 1.858 1.00 0.00 C ATOM 258 CD GLN A 18 -4.190 7.488 3.203 1.00 0.00 C ATOM 259 OE1 GLN A 18 -5.418 7.454 3.282 1.00 0.00 O ATOM 260 NE2 GLN A 18 -3.407 7.584 4.271 1.00 0.00 N ATOM 0 H GLN A 18 -5.072 7.070 -0.497 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.300 6.557 -0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.630 5.685 1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.956 5.353 1.730 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.441 7.669 1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.921 8.171 1.194 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.393 7.609 4.160 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.819 7.633 5.203 1.00 0.00 H new ATOM 269 N LEU A 19 -4.244 3.974 -1.052 1.00 0.00 N ATOM 270 CA LEU A 19 -4.247 2.597 -1.536 1.00 0.00 C ATOM 271 C LEU A 19 -3.753 2.526 -2.977 1.00 0.00 C ATOM 272 O LEU A 19 -3.278 1.484 -3.430 1.00 0.00 O ATOM 273 CB LEU A 19 -5.653 2.004 -1.437 1.00 0.00 C ATOM 274 CG LEU A 19 -6.238 1.894 -0.028 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.753 1.781 -0.087 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.640 0.703 0.706 1.00 0.00 C ATOM 0 H LEU A 19 -5.171 4.386 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.570 2.016 -0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.326 2.613 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.638 1.009 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.983 2.799 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.152 1.704 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.165 2.665 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.030 0.893 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.068 0.640 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.864 -0.212 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.560 0.826 0.780 1.00 0.00 H new ATOM 288 N ARG A 20 -3.867 3.640 -3.692 1.00 0.00 N ATOM 289 CA ARG A 20 -3.431 3.704 -5.082 1.00 0.00 C ATOM 290 C ARG A 20 -1.949 3.359 -5.204 1.00 0.00 C ATOM 291 O ARG A 20 -1.524 2.746 -6.182 1.00 0.00 O ATOM 292 CB ARG A 20 -3.689 5.099 -5.656 1.00 0.00 C ATOM 293 CG ARG A 20 -3.646 5.149 -7.175 1.00 0.00 C ATOM 294 CD ARG A 20 -3.881 6.560 -7.692 1.00 0.00 C ATOM 295 NE ARG A 20 -4.141 6.580 -9.129 1.00 0.00 N ATOM 296 CZ ARG A 20 -4.319 7.695 -9.828 1.00 0.00 C ATOM 297 NH1 ARG A 20 -4.266 8.875 -9.225 1.00 0.00 N ATOM 298 NH2 ARG A 20 -4.551 7.632 -11.133 1.00 0.00 N ATOM 0 H ARG A 20 -4.258 4.511 -3.332 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.005 2.972 -5.650 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.664 5.448 -5.317 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.947 5.790 -5.257 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.679 4.788 -7.525 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.403 4.480 -7.584 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.726 7.003 -7.165 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.009 7.176 -7.473 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.188 5.689 -9.623 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.088 8.928 -8.222 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.403 9.730 -9.764 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.593 6.726 -11.600 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.688 8.489 -11.669 1.00 0.00 H new ATOM 312 N GLU A 21 -1.170 3.758 -4.203 1.00 0.00 N ATOM 313 CA GLU A 21 0.264 3.492 -4.200 1.00 0.00 C ATOM 314 C GLU A 21 0.556 2.095 -3.658 1.00 0.00 C ATOM 315 O GLU A 21 1.435 1.393 -4.161 1.00 0.00 O ATOM 316 CB GLU A 21 0.998 4.540 -3.361 1.00 0.00 C ATOM 317 CG GLU A 21 0.746 5.968 -3.815 1.00 0.00 C ATOM 318 CD GLU A 21 0.921 6.144 -5.311 1.00 0.00 C ATOM 319 OE1 GLU A 21 -0.050 5.892 -6.055 1.00 0.00 O ATOM 320 OE2 GLU A 21 2.028 6.533 -5.737 1.00 0.00 O ATOM 0 H GLU A 21 -1.507 4.266 -3.385 1.00 0.00 H new ATOM 0 HA GLU A 21 0.620 3.546 -5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.692 4.439 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.069 4.339 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.266 6.261 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.429 6.637 -3.292 1.00 0.00 H new ATOM 327 N LEU A 22 -0.185 1.699 -2.630 1.00 0.00 N ATOM 328 CA LEU A 22 -0.006 0.387 -2.018 1.00 0.00 C ATOM 329 C LEU A 22 -0.344 -0.725 -3.006 1.00 0.00 C ATOM 330 O LEU A 22 0.455 -1.635 -3.228 1.00 0.00 O ATOM 331 CB LEU A 22 -0.883 0.260 -0.770 1.00 0.00 C ATOM 332 CG LEU A 22 -0.552 1.210 0.381 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.728 1.315 1.340 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.697 0.745 1.115 1.00 0.00 C ATOM 0 H LEU A 22 -0.916 2.267 -2.202 1.00 0.00 H new ATOM 0 HA LEU A 22 1.041 0.287 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.921 0.422 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.811 -0.764 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.357 2.199 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.475 1.995 2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.599 1.695 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.954 0.330 1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.917 1.433 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.531 -0.254 1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.539 0.722 0.423 1.00 0.00 H new ATOM 346 N GLU A 23 -1.532 -0.644 -3.597 1.00 0.00 N ATOM 347 CA GLU A 23 -1.974 -1.643 -4.563 1.00 0.00 C ATOM 348 C GLU A 23 -0.964 -1.787 -5.698 1.00 0.00 C ATOM 349 O GLU A 23 -0.577 -2.898 -6.061 1.00 0.00 O ATOM 350 CB GLU A 23 -3.344 -1.266 -5.129 1.00 0.00 C ATOM 351 CG GLU A 23 -4.481 -1.428 -4.134 1.00 0.00 C ATOM 352 CD GLU A 23 -5.842 -1.186 -4.757 1.00 0.00 C ATOM 353 OE1 GLU A 23 -6.112 -0.038 -5.165 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.636 -2.147 -4.836 1.00 0.00 O ATOM 0 H GLU A 23 -2.205 0.103 -3.424 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.053 -2.600 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.315 -0.231 -5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.548 -1.883 -6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.451 -2.434 -3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.336 -0.734 -3.306 1.00 0.00 H new ATOM 361 N ARG A 24 -0.542 -0.656 -6.253 1.00 0.00 N ATOM 362 CA ARG A 24 0.421 -0.655 -7.348 1.00 0.00 C ATOM 363 C ARG A 24 1.721 -1.334 -6.928 1.00 0.00 C ATOM 364 O ARG A 24 2.187 -2.264 -7.586 1.00 0.00 O ATOM 365 CB ARG A 24 0.704 0.777 -7.805 1.00 0.00 C ATOM 366 CG ARG A 24 -0.306 1.307 -8.809 1.00 0.00 C ATOM 367 CD ARG A 24 0.291 2.406 -9.673 1.00 0.00 C ATOM 368 NE ARG A 24 1.059 1.866 -10.792 1.00 0.00 N ATOM 369 CZ ARG A 24 1.869 2.598 -11.549 1.00 0.00 C ATOM 370 NH1 ARG A 24 2.016 3.893 -11.309 1.00 0.00 N ATOM 371 NH2 ARG A 24 2.534 2.033 -12.549 1.00 0.00 N ATOM 0 H ARG A 24 -0.852 0.271 -5.963 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.009 -1.215 -8.178 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.715 1.432 -6.934 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.699 0.818 -8.248 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.652 0.491 -9.444 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.178 1.692 -8.281 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.508 3.041 -10.055 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.936 3.038 -9.062 1.00 0.00 H new ATOM 0 HE ARG A 24 0.968 0.872 -11.004 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.507 4.330 -10.541 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.639 4.452 -11.892 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.423 1.037 -12.737 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.156 2.595 -13.130 1.00 0.00 H new ATOM 385 N GLU A 25 2.302 -0.861 -5.830 1.00 0.00 N ATOM 386 CA GLU A 25 3.549 -1.422 -5.324 1.00 0.00 C ATOM 387 C GLU A 25 3.397 -2.911 -5.031 1.00 0.00 C ATOM 388 O GLU A 25 4.313 -3.699 -5.270 1.00 0.00 O ATOM 389 CB GLU A 25 3.989 -0.684 -4.057 1.00 0.00 C ATOM 390 CG GLU A 25 4.916 0.490 -4.327 1.00 0.00 C ATOM 391 CD GLU A 25 4.477 1.317 -5.520 1.00 0.00 C ATOM 392 OE1 GLU A 25 4.740 0.892 -6.665 1.00 0.00 O ATOM 393 OE2 GLU A 25 3.872 2.388 -5.309 1.00 0.00 O ATOM 0 H GLU A 25 1.929 -0.091 -5.274 1.00 0.00 H new ATOM 0 HA GLU A 25 4.312 -1.297 -6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.105 -0.324 -3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.491 -1.387 -3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.957 1.127 -3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.926 0.119 -4.499 1.00 0.00 H new ATOM 400 N TYR A 26 2.235 -3.290 -4.512 1.00 0.00 N ATOM 401 CA TYR A 26 1.962 -4.684 -4.183 1.00 0.00 C ATOM 402 C TYR A 26 1.880 -5.536 -5.446 1.00 0.00 C ATOM 403 O TYR A 26 2.468 -6.615 -5.520 1.00 0.00 O ATOM 404 CB TYR A 26 0.658 -4.798 -3.391 1.00 0.00 C ATOM 405 CG TYR A 26 0.211 -6.225 -3.164 1.00 0.00 C ATOM 406 CD1 TYR A 26 1.023 -7.130 -2.494 1.00 0.00 C ATOM 407 CD2 TYR A 26 -1.026 -6.666 -3.620 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.618 -8.434 -2.285 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.440 -7.968 -3.414 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.614 -8.848 -2.747 1.00 0.00 C ATOM 411 OH TYR A 26 -1.022 -10.146 -2.539 1.00 0.00 O ATOM 0 H TYR A 26 1.466 -2.651 -4.310 1.00 0.00 H new ATOM 0 HA TYR A 26 2.784 -5.054 -3.570 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.785 -4.308 -2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.128 -4.260 -3.921 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.988 -6.809 -2.130 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.674 -5.979 -4.144 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.262 -9.126 -1.763 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.405 -8.295 -3.773 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.914 -10.275 -2.925 1.00 0.00 H new ATOM 421 N ALA A 27 1.146 -5.042 -6.438 1.00 0.00 N ATOM 422 CA ALA A 27 0.988 -5.755 -7.699 1.00 0.00 C ATOM 423 C ALA A 27 2.339 -6.010 -8.359 1.00 0.00 C ATOM 424 O ALA A 27 2.493 -6.954 -9.134 1.00 0.00 O ATOM 425 CB ALA A 27 0.081 -4.972 -8.637 1.00 0.00 C ATOM 0 H ALA A 27 0.652 -4.151 -6.392 1.00 0.00 H new ATOM 0 HA ALA A 27 0.528 -6.720 -7.487 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.029 -5.516 -9.575 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.898 -4.845 -8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.519 -3.993 -8.834 1.00 0.00 H new ATOM 431 N ALA A 28 3.314 -5.164 -8.046 1.00 0.00 N ATOM 432 CA ALA A 28 4.653 -5.299 -8.607 1.00 0.00 C ATOM 433 C ALA A 28 5.481 -6.305 -7.814 1.00 0.00 C ATOM 434 O ALA A 28 6.338 -6.992 -8.369 1.00 0.00 O ATOM 435 CB ALA A 28 5.351 -3.948 -8.641 1.00 0.00 C ATOM 0 H ALA A 28 3.202 -4.377 -7.407 1.00 0.00 H new ATOM 0 HA ALA A 28 4.557 -5.670 -9.627 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.349 -4.065 -9.062 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.776 -3.257 -9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.429 -3.553 -7.628 1.00 0.00 H new ATOM 441 N ASN A 29 5.220 -6.385 -6.514 1.00 0.00 N ATOM 442 CA ASN A 29 5.943 -7.306 -5.644 1.00 0.00 C ATOM 443 C ASN A 29 5.218 -7.480 -4.313 1.00 0.00 C ATOM 444 O ASN A 29 4.997 -6.514 -3.583 1.00 0.00 O ATOM 445 CB ASN A 29 7.366 -6.800 -5.401 1.00 0.00 C ATOM 446 CG ASN A 29 7.392 -5.375 -4.882 1.00 0.00 C ATOM 447 OD1 ASN A 29 7.559 -5.141 -3.685 1.00 0.00 O ATOM 448 ND2 ASN A 29 7.225 -4.414 -5.783 1.00 0.00 N ATOM 0 H ASN A 29 4.513 -5.823 -6.039 1.00 0.00 H new ATOM 0 HA ASN A 29 5.989 -8.275 -6.141 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.864 -7.454 -4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.932 -6.856 -6.331 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.232 -3.436 -5.493 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.090 -4.654 -6.765 1.00 0.00 H new ATOM 455 N LYS A 30 4.851 -8.719 -4.003 1.00 0.00 N ATOM 456 CA LYS A 30 4.153 -9.022 -2.759 1.00 0.00 C ATOM 457 C LYS A 30 4.901 -8.445 -1.561 1.00 0.00 C ATOM 458 O LYS A 30 4.291 -8.062 -0.562 1.00 0.00 O ATOM 459 CB LYS A 30 3.994 -10.535 -2.595 1.00 0.00 C ATOM 460 CG LYS A 30 3.288 -11.203 -3.762 1.00 0.00 C ATOM 461 CD LYS A 30 3.706 -12.656 -3.909 1.00 0.00 C ATOM 462 CE LYS A 30 3.661 -13.105 -5.361 1.00 0.00 C ATOM 463 NZ LYS A 30 4.849 -12.633 -6.125 1.00 0.00 N ATOM 0 H LYS A 30 5.025 -9.530 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 30 3.166 -8.562 -2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.980 -10.984 -2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.436 -10.736 -1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.209 -11.147 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.514 -10.664 -4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.715 -12.787 -3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.048 -13.287 -3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.611 -14.193 -5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.753 -12.726 -5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.781 -12.960 -7.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.883 -11.594 -6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.714 -13.015 -5.693 1.00 0.00 H new ATOM 477 N PHE A 31 6.224 -8.385 -1.669 1.00 0.00 N ATOM 478 CA PHE A 31 7.054 -7.854 -0.594 1.00 0.00 C ATOM 479 C PHE A 31 7.953 -6.732 -1.105 1.00 0.00 C ATOM 480 O PHE A 31 8.669 -6.896 -2.093 1.00 0.00 O ATOM 481 CB PHE A 31 7.907 -8.967 0.017 1.00 0.00 C ATOM 482 CG PHE A 31 7.098 -10.081 0.618 1.00 0.00 C ATOM 483 CD1 PHE A 31 6.715 -11.169 -0.150 1.00 0.00 C ATOM 484 CD2 PHE A 31 6.721 -10.040 1.951 1.00 0.00 C ATOM 485 CE1 PHE A 31 5.970 -12.195 0.400 1.00 0.00 C ATOM 486 CE2 PHE A 31 5.976 -11.063 2.507 1.00 0.00 C ATOM 487 CZ PHE A 31 5.601 -12.142 1.731 1.00 0.00 C ATOM 0 H PHE A 31 6.744 -8.697 -2.489 1.00 0.00 H new ATOM 0 HA PHE A 31 6.395 -7.447 0.173 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.560 -9.378 -0.753 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.550 -8.540 0.786 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.002 -11.216 -1.190 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.013 -9.199 2.563 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.677 -13.037 -0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.688 -11.019 3.547 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.020 -12.943 2.163 1.00 0.00 H new ATOM 497 N ILE A 32 7.910 -5.591 -0.425 1.00 0.00 N ATOM 498 CA ILE A 32 8.720 -4.442 -0.809 1.00 0.00 C ATOM 499 C ILE A 32 10.013 -4.387 -0.003 1.00 0.00 C ATOM 500 O ILE A 32 10.321 -5.302 0.762 1.00 0.00 O ATOM 501 CB ILE A 32 7.951 -3.121 -0.615 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.679 -2.877 0.871 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.649 -3.146 -1.400 1.00 0.00 C ATOM 504 CD1 ILE A 32 7.030 -1.541 1.155 1.00 0.00 C ATOM 0 H ILE A 32 7.323 -5.438 0.395 1.00 0.00 H new ATOM 0 HA ILE A 32 8.958 -4.563 -1.866 1.00 0.00 H new ATOM 0 HB ILE A 32 8.564 -2.302 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.036 -3.672 1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.619 -2.939 1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.117 -2.206 -1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.866 -3.278 -2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.029 -3.972 -1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.867 -1.436 2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.681 -0.739 0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.074 -1.483 0.635 1.00 0.00 H new ATOM 516 N THR A 33 10.769 -3.307 -0.178 1.00 0.00 N ATOM 517 CA THR A 33 12.029 -3.131 0.532 1.00 0.00 C ATOM 518 C THR A 33 12.021 -1.850 1.358 1.00 0.00 C ATOM 519 O THR A 33 11.186 -0.969 1.148 1.00 0.00 O ATOM 520 CB THR A 33 13.222 -3.094 -0.441 1.00 0.00 C ATOM 521 OG1 THR A 33 14.427 -2.792 0.272 1.00 0.00 O ATOM 522 CG2 THR A 33 12.999 -2.058 -1.532 1.00 0.00 C ATOM 0 H THR A 33 10.529 -2.540 -0.807 1.00 0.00 H new ATOM 0 HA THR A 33 12.139 -3.988 1.197 1.00 0.00 H new ATOM 0 HB THR A 33 13.312 -4.075 -0.907 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.181 -2.772 -0.354 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.855 -2.050 -2.207 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.098 -2.307 -2.092 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.884 -1.073 -1.080 1.00 0.00 H new ATOM 530 N LYS A 34 12.955 -1.751 2.297 1.00 0.00 N ATOM 531 CA LYS A 34 13.057 -0.576 3.155 1.00 0.00 C ATOM 532 C LYS A 34 13.249 0.688 2.323 1.00 0.00 C ATOM 533 O LYS A 34 12.934 1.791 2.772 1.00 0.00 O ATOM 534 CB LYS A 34 14.221 -0.735 4.136 1.00 0.00 C ATOM 535 CG LYS A 34 13.789 -1.167 5.527 1.00 0.00 C ATOM 536 CD LYS A 34 14.976 -1.603 6.369 1.00 0.00 C ATOM 537 CE LYS A 34 15.475 -2.980 5.958 1.00 0.00 C ATOM 538 NZ LYS A 34 14.513 -4.053 6.332 1.00 0.00 N ATOM 0 H LYS A 34 13.653 -2.471 2.484 1.00 0.00 H new ATOM 0 HA LYS A 34 12.127 -0.484 3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.923 -1.468 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.756 0.212 4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.274 -0.343 6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.076 -1.988 5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.783 -0.877 6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.692 -1.617 7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.640 -3.000 4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.437 -3.174 6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.989 -4.977 6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.166 -3.887 7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.711 -4.046 5.670 1.00 0.00 H new ATOM 552 N ASP A 35 13.765 0.521 1.111 1.00 0.00 N ATOM 553 CA ASP A 35 13.995 1.649 0.216 1.00 0.00 C ATOM 554 C ASP A 35 12.702 2.065 -0.479 1.00 0.00 C ATOM 555 O ASP A 35 12.600 3.169 -1.014 1.00 0.00 O ATOM 556 CB ASP A 35 15.057 1.293 -0.826 1.00 0.00 C ATOM 557 CG ASP A 35 16.438 1.782 -0.437 1.00 0.00 C ATOM 558 OD1 ASP A 35 16.864 1.509 0.705 1.00 0.00 O ATOM 559 OD2 ASP A 35 17.092 2.437 -1.275 1.00 0.00 O ATOM 0 H ASP A 35 14.032 -0.385 0.725 1.00 0.00 H new ATOM 0 HA ASP A 35 14.351 2.488 0.814 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.082 0.212 -0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.779 1.726 -1.787 1.00 0.00 H new ATOM 564 N LYS A 36 11.717 1.174 -0.467 1.00 0.00 N ATOM 565 CA LYS A 36 10.430 1.447 -1.095 1.00 0.00 C ATOM 566 C LYS A 36 9.405 1.901 -0.060 1.00 0.00 C ATOM 567 O LYS A 36 8.624 2.819 -0.309 1.00 0.00 O ATOM 568 CB LYS A 36 9.919 0.200 -1.821 1.00 0.00 C ATOM 569 CG LYS A 36 8.480 0.318 -2.293 1.00 0.00 C ATOM 570 CD LYS A 36 8.290 1.516 -3.209 1.00 0.00 C ATOM 571 CE LYS A 36 9.152 1.404 -4.458 1.00 0.00 C ATOM 572 NZ LYS A 36 8.775 2.416 -5.484 1.00 0.00 N ATOM 0 H LYS A 36 11.785 0.256 -0.029 1.00 0.00 H new ATOM 0 HA LYS A 36 10.570 2.250 -1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.559 0.002 -2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.005 -0.659 -1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.193 -0.592 -2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.820 0.410 -1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.241 1.594 -3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.543 2.430 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.200 1.533 -4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.052 0.404 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.385 2.307 -6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.782 2.277 -5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.895 3.371 -5.090 1.00 0.00 H new ATOM 586 N ARG A 37 9.416 1.254 1.100 1.00 0.00 N ATOM 587 CA ARG A 37 8.488 1.593 2.172 1.00 0.00 C ATOM 588 C ARG A 37 8.712 3.023 2.654 1.00 0.00 C ATOM 589 O ARG A 37 7.783 3.685 3.119 1.00 0.00 O ATOM 590 CB ARG A 37 8.649 0.619 3.341 1.00 0.00 C ATOM 591 CG ARG A 37 7.332 0.223 3.989 1.00 0.00 C ATOM 592 CD ARG A 37 7.507 -0.961 4.928 1.00 0.00 C ATOM 593 NE ARG A 37 8.210 -2.068 4.288 1.00 0.00 N ATOM 594 CZ ARG A 37 8.774 -3.067 4.958 1.00 0.00 C ATOM 595 NH1 ARG A 37 8.717 -3.096 6.283 1.00 0.00 N ATOM 596 NH2 ARG A 37 9.397 -4.039 4.304 1.00 0.00 N ATOM 0 H ARG A 37 10.057 0.492 1.322 1.00 0.00 H new ATOM 0 HA ARG A 37 7.474 1.515 1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.155 -0.279 2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.293 1.072 4.094 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.928 1.071 4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.606 -0.028 3.216 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.060 -0.644 5.812 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.529 -1.301 5.268 1.00 0.00 H new ATOM 0 HE ARG A 37 8.272 -2.075 3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.239 -2.350 6.789 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.151 -3.864 6.795 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.443 -4.020 3.285 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.829 -4.805 4.820 1.00 0.00 H new ATOM 610 N ARG A 38 9.949 3.494 2.540 1.00 0.00 N ATOM 611 CA ARG A 38 10.295 4.845 2.965 1.00 0.00 C ATOM 612 C ARG A 38 9.560 5.884 2.124 1.00 0.00 C ATOM 613 O ARG A 38 9.060 6.881 2.647 1.00 0.00 O ATOM 614 CB ARG A 38 11.806 5.064 2.860 1.00 0.00 C ATOM 615 CG ARG A 38 12.354 4.864 1.457 1.00 0.00 C ATOM 616 CD ARG A 38 13.872 4.956 1.434 1.00 0.00 C ATOM 617 NE ARG A 38 14.336 6.340 1.415 1.00 0.00 N ATOM 618 CZ ARG A 38 14.396 7.081 0.314 1.00 0.00 C ATOM 619 NH1 ARG A 38 14.023 6.572 -0.852 1.00 0.00 N ATOM 620 NH2 ARG A 38 14.830 8.333 0.378 1.00 0.00 N ATOM 0 H ARG A 38 10.729 2.960 2.157 1.00 0.00 H new ATOM 0 HA ARG A 38 9.989 4.962 4.005 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.042 6.075 3.192 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.312 4.379 3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.042 3.891 1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.933 5.616 0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.279 4.449 2.309 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.254 4.434 0.557 1.00 0.00 H new ATOM 0 HE ARG A 38 14.630 6.761 2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.689 5.610 -0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.070 7.143 -1.696 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.118 8.728 1.273 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.876 8.901 -0.468 1.00 0.00 H new ATOM 634 N LYS A 39 9.498 5.646 0.819 1.00 0.00 N ATOM 635 CA LYS A 39 8.824 6.559 -0.095 1.00 0.00 C ATOM 636 C LYS A 39 7.315 6.535 0.125 1.00 0.00 C ATOM 637 O LYS A 39 6.688 7.579 0.306 1.00 0.00 O ATOM 638 CB LYS A 39 9.144 6.191 -1.546 1.00 0.00 C ATOM 639 CG LYS A 39 10.627 6.244 -1.874 1.00 0.00 C ATOM 640 CD LYS A 39 11.078 7.660 -2.192 1.00 0.00 C ATOM 641 CE LYS A 39 10.769 8.032 -3.634 1.00 0.00 C ATOM 642 NZ LYS A 39 11.644 7.306 -4.594 1.00 0.00 N ATOM 0 H LYS A 39 9.907 4.827 0.370 1.00 0.00 H new ATOM 0 HA LYS A 39 9.187 7.567 0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.771 5.187 -1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.609 6.869 -2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.201 5.859 -1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.836 5.595 -2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.582 8.361 -1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.149 7.751 -2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.725 7.806 -3.852 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.897 9.106 -3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.626 7.790 -5.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.618 7.288 -4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.300 6.331 -4.709 1.00 0.00 H new ATOM 656 N ILE A 40 6.739 5.337 0.110 1.00 0.00 N ATOM 657 CA ILE A 40 5.304 5.178 0.311 1.00 0.00 C ATOM 658 C ILE A 40 4.847 5.873 1.589 1.00 0.00 C ATOM 659 O ILE A 40 3.764 6.454 1.638 1.00 0.00 O ATOM 660 CB ILE A 40 4.907 3.691 0.378 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.320 2.972 -0.908 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.410 3.553 0.611 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.051 1.483 -0.881 1.00 0.00 C ATOM 0 H ILE A 40 7.244 4.463 -0.039 1.00 0.00 H new ATOM 0 HA ILE A 40 4.812 5.639 -0.546 1.00 0.00 H new ATOM 0 HB ILE A 40 5.430 3.228 1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.786 3.414 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.383 3.138 -1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.145 2.497 0.656 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.142 4.035 1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.869 4.028 -0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.368 1.039 -1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.606 1.028 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.985 1.308 -0.738 1.00 0.00 H new ATOM 675 N SER A 41 5.683 5.810 2.621 1.00 0.00 N ATOM 676 CA SER A 41 5.364 6.431 3.901 1.00 0.00 C ATOM 677 C SER A 41 5.107 7.926 3.730 1.00 0.00 C ATOM 678 O SER A 41 4.372 8.533 4.508 1.00 0.00 O ATOM 679 CB SER A 41 6.503 6.209 4.898 1.00 0.00 C ATOM 680 OG SER A 41 6.589 7.280 5.821 1.00 0.00 O ATOM 0 H SER A 41 6.586 5.335 2.595 1.00 0.00 H new ATOM 0 HA SER A 41 4.457 5.965 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.343 5.274 5.435 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.446 6.111 4.361 1.00 0.00 H new ATOM 0 HG SER A 41 5.776 7.307 6.367 1.00 0.00 H new ATOM 686 N ALA A 42 5.720 8.511 2.706 1.00 0.00 N ATOM 687 CA ALA A 42 5.557 9.934 2.431 1.00 0.00 C ATOM 688 C ALA A 42 4.451 10.172 1.409 1.00 0.00 C ATOM 689 O ALA A 42 3.634 11.079 1.564 1.00 0.00 O ATOM 690 CB ALA A 42 6.869 10.530 1.942 1.00 0.00 C ATOM 0 H ALA A 42 6.333 8.022 2.054 1.00 0.00 H new ATOM 0 HA ALA A 42 5.270 10.428 3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.733 11.593 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.635 10.401 2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.180 10.024 1.028 1.00 0.00 H new ATOM 696 N ALA A 43 4.432 9.352 0.363 1.00 0.00 N ATOM 697 CA ALA A 43 3.426 9.473 -0.685 1.00 0.00 C ATOM 698 C ALA A 43 2.024 9.254 -0.127 1.00 0.00 C ATOM 699 O ALA A 43 1.079 9.951 -0.499 1.00 0.00 O ATOM 700 CB ALA A 43 3.710 8.486 -1.807 1.00 0.00 C ATOM 0 H ALA A 43 5.102 8.597 0.219 1.00 0.00 H new ATOM 0 HA ALA A 43 3.475 10.485 -1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.951 8.588 -2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.692 8.691 -2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.691 7.470 -1.412 1.00 0.00 H new ATOM 706 N THR A 44 1.894 8.279 0.768 1.00 0.00 N ATOM 707 CA THR A 44 0.607 7.966 1.376 1.00 0.00 C ATOM 708 C THR A 44 0.540 8.472 2.813 1.00 0.00 C ATOM 709 O THR A 44 -0.439 8.233 3.520 1.00 0.00 O ATOM 710 CB THR A 44 0.333 6.451 1.364 1.00 0.00 C ATOM 711 OG1 THR A 44 1.304 5.771 2.169 1.00 0.00 O ATOM 712 CG2 THR A 44 0.373 5.905 -0.056 1.00 0.00 C ATOM 0 H THR A 44 2.665 7.693 1.088 1.00 0.00 H new ATOM 0 HA THR A 44 -0.154 8.470 0.780 1.00 0.00 H new ATOM 0 HB THR A 44 -0.662 6.281 1.774 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.195 5.894 1.780 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.177 4.833 -0.039 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.386 6.404 -0.659 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.357 6.087 -0.488 1.00 0.00 H new ATOM 720 N SER A 45 1.586 9.172 3.238 1.00 0.00 N ATOM 721 CA SER A 45 1.647 9.709 4.593 1.00 0.00 C ATOM 722 C SER A 45 1.367 8.618 5.622 1.00 0.00 C ATOM 723 O SER A 45 0.703 8.857 6.633 1.00 0.00 O ATOM 724 CB SER A 45 0.643 10.851 4.757 1.00 0.00 C ATOM 725 OG SER A 45 0.877 11.876 3.807 1.00 0.00 O ATOM 0 H SER A 45 2.403 9.381 2.664 1.00 0.00 H new ATOM 0 HA SER A 45 2.653 10.093 4.761 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.371 10.468 4.641 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.715 11.261 5.764 1.00 0.00 H new ATOM 0 HG SER A 45 0.221 12.593 3.932 1.00 0.00 H new ATOM 731 N LEU A 46 1.876 7.420 5.359 1.00 0.00 N ATOM 732 CA LEU A 46 1.682 6.291 6.262 1.00 0.00 C ATOM 733 C LEU A 46 3.000 5.877 6.909 1.00 0.00 C ATOM 734 O LEU A 46 4.069 6.345 6.516 1.00 0.00 O ATOM 735 CB LEU A 46 1.078 5.106 5.506 1.00 0.00 C ATOM 736 CG LEU A 46 -0.389 5.247 5.100 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.688 4.395 3.876 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.302 4.862 6.255 1.00 0.00 C ATOM 0 H LEU A 46 2.426 7.205 4.528 1.00 0.00 H new ATOM 0 HA LEU A 46 0.994 6.601 7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.669 4.936 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.179 4.215 6.126 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.577 6.290 4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.737 4.508 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.059 4.717 3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.483 3.349 4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.342 4.969 5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.112 3.827 6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.107 5.514 7.106 1.00 0.00 H new ATOM 750 N SER A 47 2.916 4.997 7.901 1.00 0.00 N ATOM 751 CA SER A 47 4.102 4.521 8.604 1.00 0.00 C ATOM 752 C SER A 47 4.636 3.243 7.964 1.00 0.00 C ATOM 753 O SER A 47 3.881 2.467 7.380 1.00 0.00 O ATOM 754 CB SER A 47 3.781 4.272 10.079 1.00 0.00 C ATOM 755 OG SER A 47 4.911 4.524 10.896 1.00 0.00 O ATOM 0 H SER A 47 2.039 4.599 8.236 1.00 0.00 H new ATOM 0 HA SER A 47 4.870 5.291 8.532 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.955 4.912 10.388 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.453 3.241 10.214 1.00 0.00 H new ATOM 0 HG SER A 47 4.680 4.359 11.834 1.00 0.00 H new ATOM 761 N GLU A 48 5.944 3.033 8.080 1.00 0.00 N ATOM 762 CA GLU A 48 6.579 1.849 7.512 1.00 0.00 C ATOM 763 C GLU A 48 5.867 0.578 7.967 1.00 0.00 C ATOM 764 O GLU A 48 5.693 -0.360 7.190 1.00 0.00 O ATOM 765 CB GLU A 48 8.054 1.793 7.915 1.00 0.00 C ATOM 766 CG GLU A 48 8.813 3.078 7.629 1.00 0.00 C ATOM 767 CD GLU A 48 10.302 2.945 7.883 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.678 2.384 8.933 1.00 0.00 O ATOM 769 OE2 GLU A 48 11.091 3.403 7.030 1.00 0.00 O ATOM 0 H GLU A 48 6.583 3.666 8.561 1.00 0.00 H new ATOM 0 HA GLU A 48 6.508 1.915 6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.123 1.570 8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.536 0.971 7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.650 3.369 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.412 3.878 8.251 1.00 0.00 H new ATOM 776 N ARG A 49 5.460 0.556 9.232 1.00 0.00 N ATOM 777 CA ARG A 49 4.769 -0.599 9.792 1.00 0.00 C ATOM 778 C ARG A 49 3.374 -0.743 9.190 1.00 0.00 C ATOM 779 O ARG A 49 2.990 -1.822 8.741 1.00 0.00 O ATOM 780 CB ARG A 49 4.669 -0.473 11.313 1.00 0.00 C ATOM 781 CG ARG A 49 4.212 -1.749 12.001 1.00 0.00 C ATOM 782 CD ARG A 49 5.320 -2.789 12.038 1.00 0.00 C ATOM 783 NE ARG A 49 6.388 -2.420 12.963 1.00 0.00 N ATOM 784 CZ ARG A 49 6.280 -2.510 14.284 1.00 0.00 C ATOM 785 NH1 ARG A 49 5.158 -2.956 14.832 1.00 0.00 N ATOM 786 NH2 ARG A 49 7.296 -2.154 15.060 1.00 0.00 N ATOM 0 H ARG A 49 5.597 1.325 9.888 1.00 0.00 H new ATOM 0 HA ARG A 49 5.346 -1.490 9.545 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.642 -0.185 11.710 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.974 0.331 11.558 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.892 -1.521 13.018 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.347 -2.156 11.478 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.903 -3.752 12.332 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.734 -2.913 11.037 1.00 0.00 H new ATOM 0 HE ARG A 49 7.265 -2.074 12.573 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.375 -3.231 14.239 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.078 -3.024 15.847 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.161 -1.811 14.642 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.212 -2.224 16.074 1.00 0.00 H new ATOM 800 N GLN A 50 2.621 0.353 9.185 1.00 0.00 N ATOM 801 CA GLN A 50 1.269 0.348 8.640 1.00 0.00 C ATOM 802 C GLN A 50 1.253 -0.230 7.228 1.00 0.00 C ATOM 803 O GLN A 50 0.488 -1.148 6.932 1.00 0.00 O ATOM 804 CB GLN A 50 0.695 1.766 8.630 1.00 0.00 C ATOM 805 CG GLN A 50 0.347 2.291 10.013 1.00 0.00 C ATOM 806 CD GLN A 50 -0.695 3.391 9.974 1.00 0.00 C ATOM 807 OE1 GLN A 50 -0.465 4.498 10.463 1.00 0.00 O ATOM 808 NE2 GLN A 50 -1.850 3.093 9.390 1.00 0.00 N ATOM 0 H GLN A 50 2.925 1.255 9.552 1.00 0.00 H new ATOM 0 HA GLN A 50 0.650 -0.282 9.278 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.417 2.438 8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.200 1.782 8.008 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.020 1.469 10.628 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.250 2.668 10.492 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.998 2.163 8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.589 3.794 9.334 1.00 0.00 H new ATOM 817 N ILE A 51 2.102 0.313 6.363 1.00 0.00 N ATOM 818 CA ILE A 51 2.186 -0.149 4.983 1.00 0.00 C ATOM 819 C ILE A 51 2.419 -1.655 4.921 1.00 0.00 C ATOM 820 O ILE A 51 1.793 -2.360 4.129 1.00 0.00 O ATOM 821 CB ILE A 51 3.315 0.566 4.217 1.00 0.00 C ATOM 822 CG1 ILE A 51 3.090 2.079 4.228 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.397 0.048 2.789 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.278 2.871 3.728 1.00 0.00 C ATOM 0 H ILE A 51 2.742 1.073 6.593 1.00 0.00 H new ATOM 0 HA ILE A 51 1.232 0.089 4.512 1.00 0.00 H new ATOM 0 HB ILE A 51 4.262 0.355 4.714 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.222 2.313 3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.854 2.396 5.244 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.199 0.563 2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.600 -1.023 2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.451 0.232 2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.047 3.936 3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.143 2.666 4.358 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.501 2.583 2.701 1.00 0.00 H new ATOM 836 N THR A 52 3.325 -2.143 5.763 1.00 0.00 N ATOM 837 CA THR A 52 3.641 -3.565 5.806 1.00 0.00 C ATOM 838 C THR A 52 2.406 -4.393 6.144 1.00 0.00 C ATOM 839 O THR A 52 2.102 -5.376 5.469 1.00 0.00 O ATOM 840 CB THR A 52 4.745 -3.865 6.837 1.00 0.00 C ATOM 841 OG1 THR A 52 5.928 -3.124 6.517 1.00 0.00 O ATOM 842 CG2 THR A 52 5.065 -5.352 6.870 1.00 0.00 C ATOM 0 H THR A 52 3.853 -1.574 6.425 1.00 0.00 H new ATOM 0 HA THR A 52 3.998 -3.839 4.813 1.00 0.00 H new ATOM 0 HB THR A 52 4.384 -3.566 7.821 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.832 -2.202 6.835 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.847 -5.540 7.605 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.170 -5.911 7.142 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.408 -5.672 5.886 1.00 0.00 H new ATOM 850 N ILE A 53 1.698 -3.989 7.194 1.00 0.00 N ATOM 851 CA ILE A 53 0.496 -4.693 7.620 1.00 0.00 C ATOM 852 C ILE A 53 -0.469 -4.889 6.456 1.00 0.00 C ATOM 853 O ILE A 53 -0.972 -5.990 6.231 1.00 0.00 O ATOM 854 CB ILE A 53 -0.228 -3.937 8.750 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.701 -3.762 9.953 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.495 -4.677 9.156 1.00 0.00 C ATOM 857 CD1 ILE A 53 0.270 -2.658 10.893 1.00 0.00 C ATOM 0 H ILE A 53 1.937 -3.178 7.765 1.00 0.00 H new ATOM 0 HA ILE A 53 0.816 -5.667 7.991 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.509 -2.949 8.384 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.748 -4.701 10.505 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.709 -3.551 9.596 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.995 -4.130 9.955 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.162 -4.755 8.297 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.236 -5.676 9.506 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.974 -2.591 11.722 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.250 -1.710 10.356 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.726 -2.877 11.279 1.00 0.00 H new ATOM 869 N TRP A 54 -0.721 -3.815 5.717 1.00 0.00 N ATOM 870 CA TRP A 54 -1.625 -3.869 4.573 1.00 0.00 C ATOM 871 C TRP A 54 -1.127 -4.866 3.533 1.00 0.00 C ATOM 872 O TRP A 54 -1.904 -5.654 2.992 1.00 0.00 O ATOM 873 CB TRP A 54 -1.765 -2.483 3.942 1.00 0.00 C ATOM 874 CG TRP A 54 -2.820 -2.418 2.879 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.141 -2.118 3.054 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.643 -2.660 1.480 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.796 -2.159 1.846 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.899 -2.489 0.865 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.546 -3.003 0.685 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -4.085 -2.651 -0.505 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.732 -3.164 -0.675 1.00 0.00 C ATOM 882 CH2 TRP A 54 -2.993 -2.987 -1.259 1.00 0.00 C ATOM 0 H TRP A 54 -0.313 -2.896 5.889 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.601 -4.199 4.928 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.000 -1.759 4.722 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.808 -2.189 3.512 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.603 -1.883 4.002 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.789 -1.974 1.703 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.570 -3.140 1.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.057 -2.516 -0.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.891 -3.431 -1.298 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.106 -3.118 -2.325 1.00 0.00 H new ATOM 893 N PHE A 55 0.172 -4.829 3.258 1.00 0.00 N ATOM 894 CA PHE A 55 0.773 -5.730 2.281 1.00 0.00 C ATOM 895 C PHE A 55 0.624 -7.184 2.719 1.00 0.00 C ATOM 896 O PHE A 55 0.524 -8.086 1.887 1.00 0.00 O ATOM 897 CB PHE A 55 2.254 -5.394 2.088 1.00 0.00 C ATOM 898 CG PHE A 55 2.511 -4.457 0.943 1.00 0.00 C ATOM 899 CD1 PHE A 55 2.068 -3.145 0.990 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.196 -4.889 -0.182 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.304 -2.281 -0.063 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.435 -4.029 -1.237 1.00 0.00 C ATOM 903 CZ PHE A 55 2.987 -2.724 -1.178 1.00 0.00 C ATOM 0 H PHE A 55 0.829 -4.185 3.698 1.00 0.00 H new ATOM 0 HA PHE A 55 0.251 -5.598 1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.640 -4.949 3.005 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.809 -6.317 1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.532 -2.793 1.859 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.547 -5.909 -0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.954 -1.260 -0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.972 -4.377 -2.107 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.171 -2.051 -2.003 1.00 0.00 H new ATOM 913 N GLN A 56 0.610 -7.403 4.030 1.00 0.00 N ATOM 914 CA GLN A 56 0.473 -8.747 4.578 1.00 0.00 C ATOM 915 C GLN A 56 -0.961 -9.247 4.444 1.00 0.00 C ATOM 916 O GLN A 56 -1.208 -10.312 3.880 1.00 0.00 O ATOM 917 CB GLN A 56 0.898 -8.767 6.047 1.00 0.00 C ATOM 918 CG GLN A 56 2.397 -8.926 6.245 1.00 0.00 C ATOM 919 CD GLN A 56 2.889 -10.315 5.889 1.00 0.00 C ATOM 920 OE1 GLN A 56 2.100 -11.251 5.758 1.00 0.00 O ATOM 921 NE2 GLN A 56 4.200 -10.456 5.731 1.00 0.00 N ATOM 0 H GLN A 56 0.692 -6.667 4.732 1.00 0.00 H new ATOM 0 HA GLN A 56 1.124 -9.412 4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.573 -7.842 6.523 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.384 -9.584 6.554 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.920 -8.191 5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.647 -8.711 7.284 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.817 -9.653 5.849 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.590 -11.368 5.491 1.00 0.00 H new ATOM 930 N ASN A 57 -1.904 -8.470 4.968 1.00 0.00 N ATOM 931 CA ASN A 57 -3.315 -8.835 4.908 1.00 0.00 C ATOM 932 C ASN A 57 -3.739 -9.134 3.474 1.00 0.00 C ATOM 933 O ASN A 57 -4.654 -9.924 3.238 1.00 0.00 O ATOM 934 CB ASN A 57 -4.179 -7.710 5.483 1.00 0.00 C ATOM 935 CG ASN A 57 -4.401 -7.857 6.976 1.00 0.00 C ATOM 936 OD1 ASN A 57 -4.465 -8.969 7.499 1.00 0.00 O ATOM 937 ND2 ASN A 57 -4.518 -6.730 7.670 1.00 0.00 N ATOM 0 H ASN A 57 -1.717 -7.585 5.438 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.457 -9.736 5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.702 -6.751 5.282 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.143 -7.700 4.974 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.667 -6.765 8.678 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.458 -5.830 7.194 1.00 0.00 H new ATOM 944 N ARG A 58 -3.068 -8.498 2.519 1.00 0.00 N ATOM 945 CA ARG A 58 -3.375 -8.696 1.108 1.00 0.00 C ATOM 946 C ARG A 58 -2.961 -10.092 0.651 1.00 0.00 C ATOM 947 O ARG A 58 -3.716 -10.780 -0.036 1.00 0.00 O ATOM 948 CB ARG A 58 -2.668 -7.639 0.257 1.00 0.00 C ATOM 949 CG ARG A 58 -3.429 -7.262 -1.003 1.00 0.00 C ATOM 950 CD ARG A 58 -4.762 -6.608 -0.674 1.00 0.00 C ATOM 951 NE ARG A 58 -5.381 -6.004 -1.851 1.00 0.00 N ATOM 952 CZ ARG A 58 -6.668 -5.682 -1.922 1.00 0.00 C ATOM 953 NH1 ARG A 58 -7.468 -5.905 -0.888 1.00 0.00 N ATOM 954 NH2 ARG A 58 -7.157 -5.135 -3.027 1.00 0.00 N ATOM 0 H ARG A 58 -2.308 -7.841 2.697 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.453 -8.595 0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.514 -6.744 0.859 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.682 -8.010 -0.022 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.826 -6.580 -1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.599 -8.153 -1.607 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.437 -7.353 -0.252 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.612 -5.844 0.089 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.793 -5.819 -2.663 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.095 -6.324 -0.036 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.456 -5.657 -0.945 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.545 -4.961 -3.824 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.145 -4.888 -3.080 1.00 0.00 H new ATOM 968 N ARG A 59 -1.758 -10.502 1.038 1.00 0.00 N ATOM 969 CA ARG A 59 -1.243 -11.815 0.667 1.00 0.00 C ATOM 970 C ARG A 59 -1.939 -12.916 1.462 1.00 0.00 C ATOM 971 O ARG A 59 -2.399 -13.908 0.897 1.00 0.00 O ATOM 972 CB ARG A 59 0.268 -11.879 0.901 1.00 0.00 C ATOM 973 CG ARG A 59 1.090 -11.496 -0.318 1.00 0.00 C ATOM 974 CD ARG A 59 1.506 -12.722 -1.116 1.00 0.00 C ATOM 975 NE ARG A 59 0.555 -13.031 -2.181 1.00 0.00 N ATOM 976 CZ ARG A 59 0.568 -14.165 -2.872 1.00 0.00 C ATOM 977 NH1 ARG A 59 1.478 -15.094 -2.611 1.00 0.00 N ATOM 978 NH2 ARG A 59 -0.331 -14.373 -3.825 1.00 0.00 N ATOM 0 H ARG A 59 -1.122 -9.945 1.608 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.446 -11.971 -0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.528 -11.216 1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.537 -12.890 1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.511 -10.826 -0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.977 -10.947 -0.002 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.493 -12.555 -1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.592 -13.578 -0.447 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.158 -12.338 -2.406 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.170 -14.938 -1.878 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.486 -15.964 -3.143 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.033 -13.662 -4.028 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.320 -15.244 -4.355 1.00 0.00 H new ATOM 992 N VAL A 60 -2.011 -12.734 2.777 1.00 0.00 N ATOM 993 CA VAL A 60 -2.651 -13.712 3.650 1.00 0.00 C ATOM 994 C VAL A 60 -4.105 -13.936 3.251 1.00 0.00 C ATOM 995 O VAL A 60 -4.693 -14.972 3.562 1.00 0.00 O ATOM 996 CB VAL A 60 -2.597 -13.268 5.124 1.00 0.00 C ATOM 997 CG1 VAL A 60 -3.179 -14.344 6.027 1.00 0.00 C ATOM 998 CG2 VAL A 60 -1.168 -12.936 5.528 1.00 0.00 C ATOM 0 H VAL A 60 -1.634 -11.919 3.261 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.099 -14.645 3.539 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.201 -12.367 5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.132 -14.013 7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.217 -14.528 5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.605 -15.264 5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.148 -12.624 6.572 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.540 -13.818 5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.791 -12.128 4.901 1.00 0.00 H new