USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 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 X(o=0,f=0) 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= 1.69 K(o=1.7,f=-5.2!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.75! K(o=-1.8!,f=-0.68) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= -0.0252 (180deg=-0.291) USER MOD Single : A 41 SER OG : rot 81:sc= 0.699 USER MOD Single : A 44 THR OG1 : rot -62:sc= 0.231 USER MOD Single : A 45 SER OG : rot -54:sc= 0.0381 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 85:sc= 0.552 USER MOD Single : A 56 GLN : amide:sc= -5.1! C(o=-5.1!,f=-10!) USER MOD Single : A 57 ASN : amide:sc= -0.0712 K(o=-0.071,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 177 N PRO A 13 -9.708 1.109 6.465 1.00 0.00 N ATOM 178 CA PRO A 13 -8.898 2.330 6.490 1.00 0.00 C ATOM 179 C PRO A 13 -8.190 2.583 5.163 1.00 0.00 C ATOM 180 O PRO A 13 -8.467 1.919 4.164 1.00 0.00 O ATOM 181 CB PRO A 13 -7.876 2.056 7.597 1.00 0.00 C ATOM 182 CG PRO A 13 -7.760 0.571 7.645 1.00 0.00 C ATOM 183 CD PRO A 13 -9.022 -0.027 7.104 1.00 0.00 C ATOM 0 HA PRO A 13 -9.506 3.218 6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.916 2.521 7.374 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.210 2.458 8.553 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.903 0.240 7.058 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.593 0.238 8.669 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.812 -0.821 6.387 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.628 -0.465 7.897 1.00 0.00 H new ATOM 191 N TYR A 14 -7.276 3.547 5.160 1.00 0.00 N ATOM 192 CA TYR A 14 -6.530 3.889 3.955 1.00 0.00 C ATOM 193 C TYR A 14 -7.460 4.431 2.874 1.00 0.00 C ATOM 194 O TYR A 14 -8.281 3.699 2.321 1.00 0.00 O ATOM 195 CB TYR A 14 -5.779 2.665 3.430 1.00 0.00 C ATOM 196 CG TYR A 14 -4.967 1.953 4.489 1.00 0.00 C ATOM 197 CD1 TYR A 14 -3.833 2.541 5.035 1.00 0.00 C ATOM 198 CD2 TYR A 14 -5.333 0.692 4.942 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.088 1.895 6.002 1.00 0.00 C ATOM 200 CE2 TYR A 14 -4.595 0.038 5.910 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.473 0.644 6.436 1.00 0.00 C ATOM 202 OH TYR A 14 -2.735 -0.005 7.399 1.00 0.00 O ATOM 0 H TYR A 14 -7.034 4.105 5.979 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.810 4.666 4.213 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.496 1.965 3.002 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.116 2.975 2.623 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.529 3.521 4.697 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.210 0.214 4.530 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.209 2.367 6.416 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.895 -0.941 6.253 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.142 -0.875 7.592 1.00 0.00 H new ATOM 212 N SER A 15 -7.325 5.720 2.577 1.00 0.00 N ATOM 213 CA SER A 15 -8.154 6.362 1.564 1.00 0.00 C ATOM 214 C SER A 15 -7.811 5.843 0.171 1.00 0.00 C ATOM 215 O SER A 15 -6.764 5.228 -0.035 1.00 0.00 O ATOM 216 CB SER A 15 -7.972 7.880 1.614 1.00 0.00 C ATOM 217 OG SER A 15 -9.046 8.544 0.969 1.00 0.00 O ATOM 0 H SER A 15 -6.649 6.340 3.024 1.00 0.00 H new ATOM 0 HA SER A 15 -9.196 6.120 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.908 8.208 2.652 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.032 8.153 1.135 1.00 0.00 H new ATOM 0 HG SER A 15 -8.907 9.513 1.016 1.00 0.00 H new ATOM 223 N LYS A 16 -8.701 6.094 -0.783 1.00 0.00 N ATOM 224 CA LYS A 16 -8.494 5.654 -2.158 1.00 0.00 C ATOM 225 C LYS A 16 -7.139 6.120 -2.680 1.00 0.00 C ATOM 226 O LYS A 16 -6.472 5.405 -3.427 1.00 0.00 O ATOM 227 CB LYS A 16 -9.610 6.188 -3.059 1.00 0.00 C ATOM 228 CG LYS A 16 -9.740 7.701 -3.035 1.00 0.00 C ATOM 229 CD LYS A 16 -10.919 8.173 -3.869 1.00 0.00 C ATOM 230 CE LYS A 16 -11.071 9.685 -3.815 1.00 0.00 C ATOM 231 NZ LYS A 16 -10.124 10.371 -4.737 1.00 0.00 N ATOM 0 H LYS A 16 -9.573 6.600 -0.629 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.514 4.564 -2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.425 5.864 -4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.557 5.745 -2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.862 8.040 -2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.822 8.152 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.784 7.857 -4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.833 7.701 -3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.094 9.957 -4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.900 10.031 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.259 11.400 -4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.147 10.132 -4.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.304 10.060 -5.713 1.00 0.00 H new ATOM 245 N GLY A 17 -6.736 7.322 -2.280 1.00 0.00 N ATOM 246 CA GLY A 17 -5.461 7.861 -2.717 1.00 0.00 C ATOM 247 C GLY A 17 -4.283 7.123 -2.114 1.00 0.00 C ATOM 248 O GLY A 17 -3.287 6.872 -2.792 1.00 0.00 O ATOM 0 H GLY A 17 -7.270 7.932 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.401 7.808 -3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.403 8.915 -2.445 1.00 0.00 H new ATOM 252 N GLN A 18 -4.395 6.776 -0.836 1.00 0.00 N ATOM 253 CA GLN A 18 -3.329 6.064 -0.141 1.00 0.00 C ATOM 254 C GLN A 18 -3.197 4.637 -0.663 1.00 0.00 C ATOM 255 O GLN A 18 -2.090 4.150 -0.896 1.00 0.00 O ATOM 256 CB GLN A 18 -3.595 6.047 1.365 1.00 0.00 C ATOM 257 CG GLN A 18 -3.487 7.415 2.018 1.00 0.00 C ATOM 258 CD GLN A 18 -4.046 7.435 3.427 1.00 0.00 C ATOM 259 OE1 GLN A 18 -5.238 7.208 3.638 1.00 0.00 O ATOM 260 NE2 GLN A 18 -3.186 7.708 4.401 1.00 0.00 N ATOM 0 H GLN A 18 -5.213 6.976 -0.261 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.393 6.589 -0.331 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.592 5.646 1.545 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.888 5.369 1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.441 7.720 2.042 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.019 8.147 1.410 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.207 7.890 4.181 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.504 7.736 5.370 1.00 0.00 H new ATOM 269 N LEU A 19 -4.333 3.971 -0.844 1.00 0.00 N ATOM 270 CA LEU A 19 -4.345 2.599 -1.338 1.00 0.00 C ATOM 271 C LEU A 19 -3.887 2.540 -2.792 1.00 0.00 C ATOM 272 O LEU A 19 -3.408 1.507 -3.260 1.00 0.00 O ATOM 273 CB LEU A 19 -5.747 2.001 -1.207 1.00 0.00 C ATOM 274 CG LEU A 19 -6.298 1.888 0.214 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.816 1.787 0.192 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.693 0.687 0.927 1.00 0.00 C ATOM 0 H LEU A 19 -5.257 4.359 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.651 2.015 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.435 2.608 -1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.739 1.006 -1.652 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.022 2.789 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.190 1.707 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.233 2.677 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.114 0.904 -0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.097 0.622 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.938 -0.223 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.610 0.800 0.976 1.00 0.00 H new ATOM 288 N ARG A 20 -4.037 3.654 -3.499 1.00 0.00 N ATOM 289 CA ARG A 20 -3.638 3.729 -4.900 1.00 0.00 C ATOM 290 C ARG A 20 -2.172 3.343 -5.069 1.00 0.00 C ATOM 291 O ARG A 20 -1.801 2.693 -6.046 1.00 0.00 O ATOM 292 CB ARG A 20 -3.871 5.140 -5.443 1.00 0.00 C ATOM 293 CG ARG A 20 -3.534 5.288 -6.918 1.00 0.00 C ATOM 294 CD ARG A 20 -3.575 6.744 -7.356 1.00 0.00 C ATOM 295 NE ARG A 20 -3.371 6.889 -8.795 1.00 0.00 N ATOM 296 CZ ARG A 20 -3.363 8.060 -9.422 1.00 0.00 C ATOM 297 NH1 ARG A 20 -3.548 9.182 -8.740 1.00 0.00 N ATOM 298 NH2 ARG A 20 -3.170 8.110 -10.734 1.00 0.00 N ATOM 0 H ARG A 20 -4.432 4.517 -3.126 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.249 3.024 -5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.915 5.412 -5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.270 5.845 -4.869 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.542 4.877 -7.109 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.239 4.708 -7.513 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.536 7.178 -7.081 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.807 7.305 -6.823 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.227 6.045 -9.349 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.697 9.147 -7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.541 10.080 -9.224 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.028 7.249 -11.262 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.164 9.010 -11.215 1.00 0.00 H new ATOM 312 N GLU A 21 -1.344 3.748 -4.112 1.00 0.00 N ATOM 313 CA GLU A 21 0.082 3.445 -4.157 1.00 0.00 C ATOM 314 C GLU A 21 0.364 2.069 -3.561 1.00 0.00 C ATOM 315 O GLU A 21 1.236 1.340 -4.038 1.00 0.00 O ATOM 316 CB GLU A 21 0.877 4.512 -3.402 1.00 0.00 C ATOM 317 CG GLU A 21 0.671 5.919 -3.939 1.00 0.00 C ATOM 318 CD GLU A 21 0.959 6.024 -5.424 1.00 0.00 C ATOM 319 OE1 GLU A 21 2.121 5.800 -5.821 1.00 0.00 O ATOM 320 OE2 GLU A 21 0.020 6.331 -6.189 1.00 0.00 O ATOM 0 H GLU A 21 -1.635 4.287 -3.296 1.00 0.00 H new ATOM 0 HA GLU A 21 0.394 3.441 -5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.592 4.488 -2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.938 4.265 -3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.356 6.230 -3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.318 6.609 -3.397 1.00 0.00 H new ATOM 327 N LEU A 22 -0.378 1.719 -2.517 1.00 0.00 N ATOM 328 CA LEU A 22 -0.208 0.430 -1.854 1.00 0.00 C ATOM 329 C LEU A 22 -0.514 -0.718 -2.811 1.00 0.00 C ATOM 330 O LEU A 22 0.241 -1.686 -2.895 1.00 0.00 O ATOM 331 CB LEU A 22 -1.116 0.342 -0.626 1.00 0.00 C ATOM 332 CG LEU A 22 -0.738 1.239 0.554 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.843 1.240 1.598 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.579 0.786 1.167 1.00 0.00 C ATOM 0 H LEU A 22 -1.104 2.309 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 22 0.831 0.346 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.133 0.588 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.128 -0.692 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.613 2.258 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.557 1.883 2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.765 1.613 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.001 0.225 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.833 1.435 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.482 -0.241 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.367 0.839 0.416 1.00 0.00 H new ATOM 346 N GLU A 23 -1.626 -0.601 -3.530 1.00 0.00 N ATOM 347 CA GLU A 23 -2.031 -1.630 -4.482 1.00 0.00 C ATOM 348 C GLU A 23 -1.062 -1.693 -5.659 1.00 0.00 C ATOM 349 O GLU A 23 -0.784 -2.768 -6.191 1.00 0.00 O ATOM 350 CB GLU A 23 -3.449 -1.358 -4.988 1.00 0.00 C ATOM 351 CG GLU A 23 -4.501 -1.383 -3.893 1.00 0.00 C ATOM 352 CD GLU A 23 -5.818 -0.774 -4.335 1.00 0.00 C ATOM 353 OE1 GLU A 23 -5.791 0.310 -4.955 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.874 -1.381 -4.062 1.00 0.00 O ATOM 0 H GLU A 23 -2.262 0.194 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.015 -2.591 -3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.470 -0.385 -5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.705 -2.101 -5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.669 -2.413 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.128 -0.841 -3.024 1.00 0.00 H new ATOM 361 N ARG A 24 -0.551 -0.534 -6.061 1.00 0.00 N ATOM 362 CA ARG A 24 0.385 -0.456 -7.176 1.00 0.00 C ATOM 363 C ARG A 24 1.687 -1.180 -6.844 1.00 0.00 C ATOM 364 O ARG A 24 2.051 -2.154 -7.501 1.00 0.00 O ATOM 365 CB ARG A 24 0.675 1.004 -7.525 1.00 0.00 C ATOM 366 CG ARG A 24 1.813 1.178 -8.517 1.00 0.00 C ATOM 367 CD ARG A 24 1.494 2.249 -9.549 1.00 0.00 C ATOM 368 NE ARG A 24 2.344 2.140 -10.732 1.00 0.00 N ATOM 369 CZ ARG A 24 2.493 3.115 -11.622 1.00 0.00 C ATOM 370 NH1 ARG A 24 1.853 4.266 -11.463 1.00 0.00 N ATOM 371 NH2 ARG A 24 3.285 2.941 -12.672 1.00 0.00 N ATOM 0 H ARG A 24 -0.770 0.365 -5.631 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.072 -0.944 -8.037 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.227 1.456 -7.937 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.915 1.547 -6.611 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.725 1.446 -7.983 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.005 0.231 -9.021 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.448 2.167 -9.845 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.622 3.234 -9.100 1.00 0.00 H new ATOM 0 HE ARG A 24 2.851 1.268 -10.883 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.245 4.404 -10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.969 5.013 -12.148 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.780 2.058 -12.797 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.399 3.690 -13.355 1.00 0.00 H new ATOM 385 N GLU A 25 2.383 -0.695 -5.820 1.00 0.00 N ATOM 386 CA GLU A 25 3.645 -1.295 -5.403 1.00 0.00 C ATOM 387 C GLU A 25 3.484 -2.794 -5.172 1.00 0.00 C ATOM 388 O GLU A 25 4.384 -3.580 -5.470 1.00 0.00 O ATOM 389 CB GLU A 25 4.157 -0.623 -4.127 1.00 0.00 C ATOM 390 CG GLU A 25 5.023 0.598 -4.388 1.00 0.00 C ATOM 391 CD GLU A 25 4.467 1.485 -5.484 1.00 0.00 C ATOM 392 OE1 GLU A 25 4.761 1.219 -6.668 1.00 0.00 O ATOM 393 OE2 GLU A 25 3.737 2.445 -5.159 1.00 0.00 O ATOM 0 H GLU A 25 2.095 0.111 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 25 4.372 -1.144 -6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.305 -0.329 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.730 -1.348 -3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.114 1.177 -3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.027 0.274 -4.662 1.00 0.00 H new ATOM 400 N TYR A 26 2.332 -3.184 -4.638 1.00 0.00 N ATOM 401 CA TYR A 26 2.053 -4.589 -4.363 1.00 0.00 C ATOM 402 C TYR A 26 2.085 -5.412 -5.647 1.00 0.00 C ATOM 403 O TYR A 26 2.697 -6.478 -5.699 1.00 0.00 O ATOM 404 CB TYR A 26 0.690 -4.737 -3.684 1.00 0.00 C ATOM 405 CG TYR A 26 0.240 -6.173 -3.536 1.00 0.00 C ATOM 406 CD1 TYR A 26 0.781 -6.993 -2.555 1.00 0.00 C ATOM 407 CD2 TYR A 26 -0.726 -6.709 -4.379 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.374 -8.306 -2.416 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.140 -8.020 -4.247 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.588 -8.814 -3.265 1.00 0.00 C ATOM 411 OH TYR A 26 -0.997 -10.121 -3.131 1.00 0.00 O ATOM 0 H TYR A 26 1.576 -2.547 -4.387 1.00 0.00 H new ATOM 0 HA TYR A 26 2.828 -4.962 -3.693 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.733 -4.275 -2.698 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.055 -4.189 -4.261 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.533 -6.598 -1.889 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.160 -6.090 -5.150 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.806 -8.931 -1.648 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.892 -8.421 -4.910 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.680 -10.321 -3.805 1.00 0.00 H new ATOM 421 N ALA A 27 1.423 -4.907 -6.683 1.00 0.00 N ATOM 422 CA ALA A 27 1.377 -5.593 -7.969 1.00 0.00 C ATOM 423 C ALA A 27 2.780 -5.796 -8.532 1.00 0.00 C ATOM 424 O ALA A 27 3.026 -6.740 -9.282 1.00 0.00 O ATOM 425 CB ALA A 27 0.519 -4.812 -8.953 1.00 0.00 C ATOM 0 H ALA A 27 0.911 -4.025 -6.657 1.00 0.00 H new ATOM 0 HA ALA A 27 0.930 -6.575 -7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.493 -5.335 -9.909 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.494 -4.723 -8.561 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.942 -3.818 -9.095 1.00 0.00 H new ATOM 431 N ALA A 28 3.695 -4.905 -8.166 1.00 0.00 N ATOM 432 CA ALA A 28 5.073 -4.988 -8.634 1.00 0.00 C ATOM 433 C ALA A 28 5.872 -5.994 -7.812 1.00 0.00 C ATOM 434 O ALA A 28 6.830 -6.588 -8.303 1.00 0.00 O ATOM 435 CB ALA A 28 5.732 -3.618 -8.581 1.00 0.00 C ATOM 0 H ALA A 28 3.507 -4.117 -7.546 1.00 0.00 H new ATOM 0 HA ALA A 28 5.059 -5.332 -9.668 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.761 -3.695 -8.933 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.182 -2.925 -9.217 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.727 -3.251 -7.555 1.00 0.00 H new ATOM 441 N ASN A 29 5.471 -6.179 -6.559 1.00 0.00 N ATOM 442 CA ASN A 29 6.151 -7.112 -5.668 1.00 0.00 C ATOM 443 C ASN A 29 5.351 -7.323 -4.386 1.00 0.00 C ATOM 444 O ASN A 29 5.031 -6.369 -3.677 1.00 0.00 O ATOM 445 CB ASN A 29 7.551 -6.597 -5.329 1.00 0.00 C ATOM 446 CG ASN A 29 7.600 -5.086 -5.214 1.00 0.00 C ATOM 447 OD1 ASN A 29 8.125 -4.402 -6.093 1.00 0.00 O ATOM 448 ND2 ASN A 29 7.050 -4.558 -4.127 1.00 0.00 N ATOM 0 H ASN A 29 4.678 -5.695 -6.137 1.00 0.00 H new ATOM 0 HA ASN A 29 6.237 -8.069 -6.183 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.881 -7.041 -4.390 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.251 -6.923 -6.098 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.051 -3.547 -3.995 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.626 -5.164 -3.424 1.00 0.00 H new ATOM 455 N LYS A 30 5.029 -8.579 -4.096 1.00 0.00 N ATOM 456 CA LYS A 30 4.268 -8.917 -2.899 1.00 0.00 C ATOM 457 C LYS A 30 4.976 -8.415 -1.644 1.00 0.00 C ATOM 458 O LYS A 30 4.335 -8.103 -0.640 1.00 0.00 O ATOM 459 CB LYS A 30 4.063 -10.431 -2.811 1.00 0.00 C ATOM 460 CG LYS A 30 3.419 -11.030 -4.049 1.00 0.00 C ATOM 461 CD LYS A 30 1.935 -10.711 -4.115 1.00 0.00 C ATOM 462 CE LYS A 30 1.214 -11.611 -5.107 1.00 0.00 C ATOM 463 NZ LYS A 30 1.554 -11.269 -6.516 1.00 0.00 N ATOM 0 H LYS A 30 5.283 -9.380 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 30 3.296 -8.428 -2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.028 -10.911 -2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.442 -10.655 -1.944 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.915 -10.646 -4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.560 -12.111 -4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.492 -10.830 -3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.798 -9.668 -4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.478 -12.651 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.137 -11.522 -4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.043 -11.905 -7.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.279 -10.285 -6.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.578 -11.378 -6.662 1.00 0.00 H new ATOM 477 N PHE A 31 6.301 -8.339 -1.708 1.00 0.00 N ATOM 478 CA PHE A 31 7.096 -7.875 -0.577 1.00 0.00 C ATOM 479 C PHE A 31 8.035 -6.749 -0.998 1.00 0.00 C ATOM 480 O PHE A 31 8.977 -6.965 -1.762 1.00 0.00 O ATOM 481 CB PHE A 31 7.902 -9.032 0.016 1.00 0.00 C ATOM 482 CG PHE A 31 7.047 -10.125 0.591 1.00 0.00 C ATOM 483 CD1 PHE A 31 6.446 -11.060 -0.236 1.00 0.00 C ATOM 484 CD2 PHE A 31 6.846 -10.219 1.959 1.00 0.00 C ATOM 485 CE1 PHE A 31 5.658 -12.066 0.290 1.00 0.00 C ATOM 486 CE2 PHE A 31 6.060 -11.224 2.491 1.00 0.00 C ATOM 487 CZ PHE A 31 5.466 -12.149 1.655 1.00 0.00 C ATOM 0 H PHE A 31 6.847 -8.593 -2.531 1.00 0.00 H new ATOM 0 HA PHE A 31 6.414 -7.491 0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.543 -9.453 -0.759 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.557 -8.645 0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.595 -11.002 -1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.309 -9.499 2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.193 -12.787 -0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.911 -11.286 3.559 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.852 -12.936 2.068 1.00 0.00 H new ATOM 497 N ILE A 32 7.772 -5.547 -0.495 1.00 0.00 N ATOM 498 CA ILE A 32 8.594 -4.388 -0.818 1.00 0.00 C ATOM 499 C ILE A 32 9.898 -4.400 -0.028 1.00 0.00 C ATOM 500 O ILE A 32 10.200 -5.363 0.679 1.00 0.00 O ATOM 501 CB ILE A 32 7.847 -3.071 -0.533 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.609 -2.910 0.970 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.528 -3.036 -1.290 1.00 0.00 C ATOM 504 CD1 ILE A 32 6.894 -1.628 1.334 1.00 0.00 C ATOM 0 H ILE A 32 6.996 -5.351 0.138 1.00 0.00 H new ATOM 0 HA ILE A 32 8.817 -4.447 -1.883 1.00 0.00 H new ATOM 0 HB ILE A 32 8.463 -2.239 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.025 -3.757 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.568 -2.941 1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.012 -2.100 -1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.721 -3.110 -2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.905 -3.873 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.759 -1.581 2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.487 -0.775 1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.920 -1.603 0.845 1.00 0.00 H new ATOM 516 N THR A 33 10.669 -3.324 -0.151 1.00 0.00 N ATOM 517 CA THR A 33 11.941 -3.211 0.552 1.00 0.00 C ATOM 518 C THR A 33 11.948 -2.004 1.483 1.00 0.00 C ATOM 519 O THR A 33 11.158 -1.074 1.319 1.00 0.00 O ATOM 520 CB THR A 33 13.118 -3.092 -0.434 1.00 0.00 C ATOM 521 OG1 THR A 33 14.314 -2.739 0.272 1.00 0.00 O ATOM 522 CG2 THR A 33 12.827 -2.049 -1.502 1.00 0.00 C ATOM 0 H THR A 33 10.435 -2.518 -0.731 1.00 0.00 H new ATOM 0 HA THR A 33 12.060 -4.121 1.140 1.00 0.00 H new ATOM 0 HB THR A 33 13.255 -4.058 -0.921 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.058 -2.667 -0.361 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.673 -1.983 -2.186 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.933 -2.335 -2.056 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.666 -1.080 -1.030 1.00 0.00 H new ATOM 530 N LYS A 34 12.847 -2.023 2.462 1.00 0.00 N ATOM 531 CA LYS A 34 12.960 -0.929 3.419 1.00 0.00 C ATOM 532 C LYS A 34 13.064 0.413 2.702 1.00 0.00 C ATOM 533 O LYS A 34 12.614 1.438 3.214 1.00 0.00 O ATOM 534 CB LYS A 34 14.181 -1.135 4.319 1.00 0.00 C ATOM 535 CG LYS A 34 13.844 -1.184 5.799 1.00 0.00 C ATOM 536 CD LYS A 34 15.030 -0.770 6.654 1.00 0.00 C ATOM 537 CE LYS A 34 14.614 -0.505 8.093 1.00 0.00 C ATOM 538 NZ LYS A 34 14.255 0.924 8.312 1.00 0.00 N ATOM 0 H LYS A 34 13.508 -2.785 2.613 1.00 0.00 H new ATOM 0 HA LYS A 34 12.060 -0.923 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.677 -2.064 4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.892 -0.328 4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.000 -0.526 6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.534 -2.193 6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.787 -1.554 6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.487 0.127 6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.763 -1.136 8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.428 -0.782 8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.977 1.064 9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.075 1.525 8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.462 1.182 7.691 1.00 0.00 H new ATOM 552 N ASP A 35 13.659 0.399 1.515 1.00 0.00 N ATOM 553 CA ASP A 35 13.820 1.615 0.726 1.00 0.00 C ATOM 554 C ASP A 35 12.485 2.065 0.142 1.00 0.00 C ATOM 555 O ASP A 35 12.169 3.255 0.128 1.00 0.00 O ATOM 556 CB ASP A 35 14.833 1.389 -0.398 1.00 0.00 C ATOM 557 CG ASP A 35 15.566 2.660 -0.781 1.00 0.00 C ATOM 558 OD1 ASP A 35 16.507 3.044 -0.054 1.00 0.00 O ATOM 559 OD2 ASP A 35 15.199 3.271 -1.806 1.00 0.00 O ATOM 0 H ASP A 35 14.038 -0.441 1.078 1.00 0.00 H new ATOM 0 HA ASP A 35 14.190 2.400 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.556 0.636 -0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.318 0.992 -1.273 1.00 0.00 H new ATOM 564 N LYS A 36 11.704 1.105 -0.342 1.00 0.00 N ATOM 565 CA LYS A 36 10.402 1.400 -0.929 1.00 0.00 C ATOM 566 C LYS A 36 9.396 1.793 0.149 1.00 0.00 C ATOM 567 O LYS A 36 8.589 2.703 -0.044 1.00 0.00 O ATOM 568 CB LYS A 36 9.883 0.189 -1.707 1.00 0.00 C ATOM 569 CG LYS A 36 8.533 0.420 -2.364 1.00 0.00 C ATOM 570 CD LYS A 36 8.656 1.300 -3.597 1.00 0.00 C ATOM 571 CE LYS A 36 8.410 2.763 -3.265 1.00 0.00 C ATOM 572 NZ LYS A 36 7.651 3.456 -4.342 1.00 0.00 N ATOM 0 H LYS A 36 11.950 0.115 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 36 10.522 2.239 -1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.610 -0.078 -2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.807 -0.662 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.094 -0.538 -2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.855 0.886 -1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.650 1.186 -4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.941 0.972 -4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.858 2.835 -2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.365 3.266 -3.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.504 4.451 -4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.189 3.410 -5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.729 2.992 -4.471 1.00 0.00 H new ATOM 586 N ARG A 37 9.452 1.104 1.284 1.00 0.00 N ATOM 587 CA ARG A 37 8.547 1.382 2.392 1.00 0.00 C ATOM 588 C ARG A 37 8.564 2.865 2.749 1.00 0.00 C ATOM 589 O ARG A 37 7.514 3.479 2.942 1.00 0.00 O ATOM 590 CB ARG A 37 8.932 0.547 3.615 1.00 0.00 C ATOM 591 CG ARG A 37 7.774 0.288 4.565 1.00 0.00 C ATOM 592 CD ARG A 37 7.888 -1.078 5.223 1.00 0.00 C ATOM 593 NE ARG A 37 9.229 -1.323 5.746 1.00 0.00 N ATOM 594 CZ ARG A 37 9.698 -2.534 6.029 1.00 0.00 C ATOM 595 NH1 ARG A 37 8.938 -3.604 5.838 1.00 0.00 N ATOM 596 NH2 ARG A 37 10.929 -2.676 6.502 1.00 0.00 N ATOM 0 H ARG A 37 10.115 0.349 1.460 1.00 0.00 H new ATOM 0 HA ARG A 37 7.538 1.113 2.080 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.336 -0.408 3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.728 1.057 4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.751 1.062 5.332 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.833 0.353 4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.164 -1.151 6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.635 -1.852 4.498 1.00 0.00 H new ATOM 0 HE ARG A 37 9.839 -0.521 5.903 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.991 -3.499 5.473 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.300 -4.532 6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.517 -1.855 6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.288 -3.606 6.719 1.00 0.00 H new ATOM 610 N ARG A 38 9.761 3.434 2.836 1.00 0.00 N ATOM 611 CA ARG A 38 9.915 4.844 3.171 1.00 0.00 C ATOM 612 C ARG A 38 9.292 5.730 2.096 1.00 0.00 C ATOM 613 O ARG A 38 8.669 6.748 2.399 1.00 0.00 O ATOM 614 CB ARG A 38 11.395 5.192 3.339 1.00 0.00 C ATOM 615 CG ARG A 38 12.029 4.579 4.577 1.00 0.00 C ATOM 616 CD ARG A 38 13.544 4.532 4.463 1.00 0.00 C ATOM 617 NE ARG A 38 14.132 5.868 4.424 1.00 0.00 N ATOM 618 CZ ARG A 38 15.400 6.105 4.109 1.00 0.00 C ATOM 619 NH1 ARG A 38 16.210 5.099 3.807 1.00 0.00 N ATOM 620 NH2 ARG A 38 15.861 7.349 4.095 1.00 0.00 N ATOM 0 H ARG A 38 10.639 2.940 2.679 1.00 0.00 H new ATOM 0 HA ARG A 38 9.397 5.026 4.113 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.941 4.856 2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.502 6.276 3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.747 5.159 5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.643 3.570 4.723 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.954 3.980 5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.823 3.987 3.561 1.00 0.00 H new ATOM 0 HE ARG A 38 13.535 6.664 4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.859 4.141 3.816 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.184 5.283 3.565 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.241 8.125 4.326 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.835 7.529 3.853 1.00 0.00 H new ATOM 634 N LYS A 39 9.465 5.336 0.839 1.00 0.00 N ATOM 635 CA LYS A 39 8.920 6.092 -0.282 1.00 0.00 C ATOM 636 C LYS A 39 7.398 6.158 -0.205 1.00 0.00 C ATOM 637 O LYS A 39 6.807 7.231 -0.331 1.00 0.00 O ATOM 638 CB LYS A 39 9.348 5.458 -1.608 1.00 0.00 C ATOM 639 CG LYS A 39 10.696 5.945 -2.108 1.00 0.00 C ATOM 640 CD LYS A 39 10.637 7.399 -2.545 1.00 0.00 C ATOM 641 CE LYS A 39 11.968 7.864 -3.116 1.00 0.00 C ATOM 642 NZ LYS A 39 12.340 7.107 -4.343 1.00 0.00 N ATOM 0 H LYS A 39 9.979 4.497 0.571 1.00 0.00 H new ATOM 0 HA LYS A 39 9.313 7.107 -0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.384 4.375 -1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.591 5.670 -2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.440 5.831 -1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.020 5.326 -2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.855 7.523 -3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.366 8.025 -1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.912 8.927 -3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.748 7.743 -2.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.092 7.616 -4.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.681 6.161 -4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.508 7.015 -4.960 1.00 0.00 H new ATOM 656 N ILE A 40 6.770 5.006 0.003 1.00 0.00 N ATOM 657 CA ILE A 40 5.318 4.934 0.099 1.00 0.00 C ATOM 658 C ILE A 40 4.802 5.771 1.265 1.00 0.00 C ATOM 659 O ILE A 40 3.762 6.422 1.163 1.00 0.00 O ATOM 660 CB ILE A 40 4.836 3.482 0.272 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.386 2.602 -0.853 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.316 3.428 0.298 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.098 1.129 -0.663 1.00 0.00 C ATOM 0 H ILE A 40 7.245 4.109 0.108 1.00 0.00 H new ATOM 0 HA ILE A 40 4.920 5.331 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 40 5.210 3.101 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.958 2.928 -1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.464 2.747 -0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.991 2.395 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.945 4.027 1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.922 3.824 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.517 0.566 -1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.549 0.787 0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.020 0.971 -0.623 1.00 0.00 H new ATOM 675 N SER A 41 5.537 5.750 2.372 1.00 0.00 N ATOM 676 CA SER A 41 5.153 6.506 3.559 1.00 0.00 C ATOM 677 C SER A 41 5.208 8.007 3.288 1.00 0.00 C ATOM 678 O SER A 41 4.530 8.792 3.949 1.00 0.00 O ATOM 679 CB SER A 41 6.070 6.154 4.732 1.00 0.00 C ATOM 680 OG SER A 41 6.227 7.258 5.605 1.00 0.00 O ATOM 0 H SER A 41 6.402 5.218 2.472 1.00 0.00 H new ATOM 0 HA SER A 41 4.128 6.238 3.815 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.655 5.308 5.281 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.044 5.843 4.355 1.00 0.00 H new ATOM 0 HG SER A 41 5.455 7.312 6.206 1.00 0.00 H new ATOM 686 N ALA A 42 6.021 8.396 2.312 1.00 0.00 N ATOM 687 CA ALA A 42 6.163 9.802 1.952 1.00 0.00 C ATOM 688 C ALA A 42 5.021 10.256 1.050 1.00 0.00 C ATOM 689 O ALA A 42 4.681 11.438 1.011 1.00 0.00 O ATOM 690 CB ALA A 42 7.503 10.039 1.271 1.00 0.00 C ATOM 0 H ALA A 42 6.591 7.758 1.756 1.00 0.00 H new ATOM 0 HA ALA A 42 6.124 10.392 2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.596 11.093 1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.310 9.762 1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.564 9.432 0.368 1.00 0.00 H new ATOM 696 N ALA A 43 4.434 9.309 0.325 1.00 0.00 N ATOM 697 CA ALA A 43 3.329 9.613 -0.577 1.00 0.00 C ATOM 698 C ALA A 43 1.985 9.414 0.116 1.00 0.00 C ATOM 699 O ALA A 43 1.184 10.343 0.219 1.00 0.00 O ATOM 700 CB ALA A 43 3.415 8.748 -1.826 1.00 0.00 C ATOM 0 H ALA A 43 4.705 8.326 0.345 1.00 0.00 H new ATOM 0 HA ALA A 43 3.406 10.661 -0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.584 8.985 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.357 8.942 -2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.365 7.696 -1.544 1.00 0.00 H new ATOM 706 N THR A 44 1.743 8.195 0.590 1.00 0.00 N ATOM 707 CA THR A 44 0.496 7.874 1.271 1.00 0.00 C ATOM 708 C THR A 44 0.443 8.515 2.653 1.00 0.00 C ATOM 709 O THR A 44 -0.610 8.554 3.290 1.00 0.00 O ATOM 710 CB THR A 44 0.310 6.352 1.416 1.00 0.00 C ATOM 711 OG1 THR A 44 1.368 5.803 2.209 1.00 0.00 O ATOM 712 CG2 THR A 44 0.290 5.677 0.052 1.00 0.00 C ATOM 0 H THR A 44 2.395 7.414 0.514 1.00 0.00 H new ATOM 0 HA THR A 44 -0.311 8.274 0.657 1.00 0.00 H new ATOM 0 HB THR A 44 -0.645 6.170 1.908 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.226 5.956 1.761 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.158 4.603 0.180 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.534 6.076 -0.540 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.232 5.868 -0.462 1.00 0.00 H new ATOM 720 N SER A 45 1.585 9.017 3.111 1.00 0.00 N ATOM 721 CA SER A 45 1.669 9.654 4.420 1.00 0.00 C ATOM 722 C SER A 45 1.362 8.655 5.531 1.00 0.00 C ATOM 723 O SER A 45 0.875 9.026 6.600 1.00 0.00 O ATOM 724 CB SER A 45 0.700 10.835 4.499 1.00 0.00 C ATOM 725 OG SER A 45 1.098 11.755 5.501 1.00 0.00 O ATOM 0 H SER A 45 2.465 8.995 2.595 1.00 0.00 H new ATOM 0 HA SER A 45 2.687 10.019 4.554 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.657 11.340 3.534 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.305 10.471 4.713 1.00 0.00 H new ATOM 0 HG SER A 45 1.213 11.282 6.352 1.00 0.00 H new ATOM 731 N LEU A 46 1.651 7.384 5.272 1.00 0.00 N ATOM 732 CA LEU A 46 1.407 6.329 6.249 1.00 0.00 C ATOM 733 C LEU A 46 2.695 5.946 6.971 1.00 0.00 C ATOM 734 O LEU A 46 3.765 6.478 6.676 1.00 0.00 O ATOM 735 CB LEU A 46 0.809 5.100 5.562 1.00 0.00 C ATOM 736 CG LEU A 46 -0.599 5.268 4.991 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.849 4.260 3.881 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.642 5.123 6.090 1.00 0.00 C ATOM 0 H LEU A 46 2.055 7.059 4.393 1.00 0.00 H new ATOM 0 HA LEU A 46 0.698 6.707 6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.475 4.802 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.793 4.280 6.280 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.681 6.270 4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.856 4.395 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.123 4.411 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.747 3.250 4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.638 5.246 5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.560 4.134 6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.476 5.885 6.852 1.00 0.00 H new ATOM 750 N SER A 47 2.584 5.019 7.917 1.00 0.00 N ATOM 751 CA SER A 47 3.739 4.566 8.682 1.00 0.00 C ATOM 752 C SER A 47 4.338 3.304 8.067 1.00 0.00 C ATOM 753 O SER A 47 3.636 2.519 7.430 1.00 0.00 O ATOM 754 CB SER A 47 3.343 4.300 10.135 1.00 0.00 C ATOM 755 OG SER A 47 4.413 4.591 11.017 1.00 0.00 O ATOM 0 H SER A 47 1.706 4.567 8.172 1.00 0.00 H new ATOM 0 HA SER A 47 4.492 5.354 8.657 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.477 4.908 10.396 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.047 3.257 10.249 1.00 0.00 H new ATOM 0 HG SER A 47 4.134 4.414 11.940 1.00 0.00 H new ATOM 761 N GLU A 48 5.639 3.117 8.263 1.00 0.00 N ATOM 762 CA GLU A 48 6.332 1.952 7.727 1.00 0.00 C ATOM 763 C GLU A 48 5.614 0.664 8.119 1.00 0.00 C ATOM 764 O GLU A 48 5.429 -0.232 7.296 1.00 0.00 O ATOM 765 CB GLU A 48 7.778 1.916 8.227 1.00 0.00 C ATOM 766 CG GLU A 48 8.553 3.191 7.942 1.00 0.00 C ATOM 767 CD GLU A 48 9.981 3.132 8.449 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.632 2.082 8.269 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.447 4.137 9.025 1.00 0.00 O ATOM 0 H GLU A 48 6.234 3.757 8.789 1.00 0.00 H new ATOM 0 HA GLU A 48 6.333 2.030 6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.777 1.734 9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.294 1.076 7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.560 3.375 6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.041 4.034 8.406 1.00 0.00 H new ATOM 776 N ARG A 49 5.212 0.579 9.383 1.00 0.00 N ATOM 777 CA ARG A 49 4.516 -0.599 9.886 1.00 0.00 C ATOM 778 C ARG A 49 3.144 -0.739 9.235 1.00 0.00 C ATOM 779 O ARG A 49 2.746 -1.833 8.834 1.00 0.00 O ATOM 780 CB ARG A 49 4.366 -0.519 11.407 1.00 0.00 C ATOM 781 CG ARG A 49 3.939 -1.830 12.047 1.00 0.00 C ATOM 782 CD ARG A 49 5.128 -2.751 12.275 1.00 0.00 C ATOM 783 NE ARG A 49 6.051 -2.215 13.272 1.00 0.00 N ATOM 784 CZ ARG A 49 7.267 -2.706 13.486 1.00 0.00 C ATOM 785 NH1 ARG A 49 7.703 -3.738 12.777 1.00 0.00 N ATOM 786 NH2 ARG A 49 8.049 -2.165 14.411 1.00 0.00 N ATOM 0 H ARG A 49 5.356 1.312 10.077 1.00 0.00 H new ATOM 0 HA ARG A 49 5.110 -1.477 9.633 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.315 -0.205 11.841 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.634 0.250 11.651 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.446 -1.628 12.998 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.209 -2.327 11.408 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.772 -3.729 12.599 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.657 -2.900 11.334 1.00 0.00 H new ATOM 0 HE ARG A 49 5.746 -1.421 13.834 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.105 -4.157 12.065 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.637 -4.113 12.943 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.717 -1.371 14.959 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.982 -2.543 14.574 1.00 0.00 H new ATOM 800 N GLN A 50 2.426 0.375 9.134 1.00 0.00 N ATOM 801 CA GLN A 50 1.097 0.375 8.533 1.00 0.00 C ATOM 802 C GLN A 50 1.143 -0.176 7.111 1.00 0.00 C ATOM 803 O GLN A 50 0.369 -1.064 6.755 1.00 0.00 O ATOM 804 CB GLN A 50 0.518 1.791 8.526 1.00 0.00 C ATOM 805 CG GLN A 50 0.074 2.274 9.897 1.00 0.00 C ATOM 806 CD GLN A 50 -0.979 3.362 9.820 1.00 0.00 C ATOM 807 OE1 GLN A 50 -0.679 4.544 9.989 1.00 0.00 O ATOM 808 NE2 GLN A 50 -2.220 2.968 9.562 1.00 0.00 N ATOM 0 H GLN A 50 2.742 1.288 9.460 1.00 0.00 H new ATOM 0 HA GLN A 50 0.454 -0.270 9.132 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.267 2.479 8.133 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.333 1.823 7.846 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.321 1.431 10.465 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.939 2.649 10.444 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.423 1.977 9.429 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.970 3.656 9.497 1.00 0.00 H new ATOM 817 N ILE A 51 2.055 0.357 6.305 1.00 0.00 N ATOM 818 CA ILE A 51 2.201 -0.082 4.923 1.00 0.00 C ATOM 819 C ILE A 51 2.562 -1.562 4.851 1.00 0.00 C ATOM 820 O ILE A 51 2.257 -2.241 3.871 1.00 0.00 O ATOM 821 CB ILE A 51 3.278 0.734 4.184 1.00 0.00 C ATOM 822 CG1 ILE A 51 2.924 2.223 4.204 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.429 0.239 2.753 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.101 3.127 3.913 1.00 0.00 C ATOM 0 H ILE A 51 2.703 1.093 6.585 1.00 0.00 H new ATOM 0 HA ILE A 51 1.238 0.079 4.438 1.00 0.00 H new ATOM 0 HB ILE A 51 4.230 0.599 4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.141 2.412 3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.513 2.478 5.181 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.194 0.826 2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.722 -0.811 2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.480 0.347 2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.777 4.167 3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.877 2.966 4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.498 2.900 2.924 1.00 0.00 H new ATOM 836 N THR A 52 3.214 -2.057 5.899 1.00 0.00 N ATOM 837 CA THR A 52 3.616 -3.457 5.956 1.00 0.00 C ATOM 838 C THR A 52 2.424 -4.360 6.249 1.00 0.00 C ATOM 839 O THR A 52 2.174 -5.327 5.528 1.00 0.00 O ATOM 840 CB THR A 52 4.696 -3.687 7.030 1.00 0.00 C ATOM 841 OG1 THR A 52 5.801 -2.803 6.812 1.00 0.00 O ATOM 842 CG2 THR A 52 5.182 -5.129 7.009 1.00 0.00 C ATOM 0 H THR A 52 3.475 -1.509 6.719 1.00 0.00 H new ATOM 0 HA THR A 52 4.026 -3.708 4.978 1.00 0.00 H new ATOM 0 HB THR A 52 4.255 -3.483 8.006 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.614 -1.936 7.229 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.944 -5.267 7.776 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.344 -5.798 7.205 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.606 -5.356 6.031 1.00 0.00 H new ATOM 850 N ILE A 53 1.691 -4.040 7.310 1.00 0.00 N ATOM 851 CA ILE A 53 0.524 -4.822 7.696 1.00 0.00 C ATOM 852 C ILE A 53 -0.426 -5.010 6.518 1.00 0.00 C ATOM 853 O ILE A 53 -0.893 -6.119 6.254 1.00 0.00 O ATOM 854 CB ILE A 53 -0.241 -4.158 8.856 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.675 -3.992 10.070 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.468 -4.980 9.221 1.00 0.00 C ATOM 857 CD1 ILE A 53 0.186 -2.958 11.059 1.00 0.00 C ATOM 0 H ILE A 53 1.885 -3.244 7.918 1.00 0.00 H new ATOM 0 HA ILE A 53 0.891 -5.795 8.023 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.572 -3.170 8.535 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.770 -4.952 10.577 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.671 -3.713 9.728 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.998 -4.498 10.042 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.128 -5.053 8.356 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.159 -5.980 9.526 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.884 -2.894 11.893 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.118 -1.988 10.567 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.797 -3.246 11.430 1.00 0.00 H new ATOM 869 N TRP A 54 -0.707 -3.921 5.812 1.00 0.00 N ATOM 870 CA TRP A 54 -1.600 -3.966 4.660 1.00 0.00 C ATOM 871 C TRP A 54 -1.104 -4.970 3.625 1.00 0.00 C ATOM 872 O TRP A 54 -1.874 -5.788 3.120 1.00 0.00 O ATOM 873 CB TRP A 54 -1.718 -2.579 4.026 1.00 0.00 C ATOM 874 CG TRP A 54 -2.803 -2.487 2.996 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.117 -2.186 3.214 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.667 -2.700 1.587 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.806 -2.199 2.026 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.939 -2.511 1.012 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.595 -3.031 0.754 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -4.165 -2.643 -0.356 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.820 -3.161 -0.603 1.00 0.00 C ATOM 882 CH2 TRP A 54 -3.097 -2.967 -1.147 1.00 0.00 C ATOM 0 H TRP A 54 -0.329 -2.996 6.017 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.583 -4.285 5.006 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.907 -1.844 4.809 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.766 -2.316 3.565 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.551 -1.969 4.179 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.802 -2.007 1.916 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.607 -3.183 1.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.148 -2.495 -0.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.998 -3.416 -1.255 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.241 -3.075 -2.212 1.00 0.00 H new ATOM 893 N PHE A 55 0.186 -4.904 3.314 1.00 0.00 N ATOM 894 CA PHE A 55 0.785 -5.808 2.338 1.00 0.00 C ATOM 895 C PHE A 55 0.658 -7.259 2.793 1.00 0.00 C ATOM 896 O PHE A 55 0.581 -8.173 1.971 1.00 0.00 O ATOM 897 CB PHE A 55 2.258 -5.456 2.121 1.00 0.00 C ATOM 898 CG PHE A 55 2.489 -4.540 0.954 1.00 0.00 C ATOM 899 CD1 PHE A 55 1.989 -3.248 0.959 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.208 -4.971 -0.150 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.200 -2.404 -0.115 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.423 -4.132 -1.226 1.00 0.00 C ATOM 903 CZ PHE A 55 2.919 -2.846 -1.208 1.00 0.00 C ATOM 0 H PHE A 55 0.837 -4.234 3.723 1.00 0.00 H new ATOM 0 HA PHE A 55 0.250 -5.692 1.396 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.648 -4.986 3.024 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.824 -6.375 1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.428 -2.896 1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.605 -5.975 -0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.803 -1.400 -0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.984 -4.481 -2.080 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.087 -2.187 -2.047 1.00 0.00 H new ATOM 913 N GLN A 56 0.640 -7.462 4.106 1.00 0.00 N ATOM 914 CA GLN A 56 0.524 -8.802 4.670 1.00 0.00 C ATOM 915 C GLN A 56 -0.905 -9.321 4.553 1.00 0.00 C ATOM 916 O GLN A 56 -1.141 -10.400 4.012 1.00 0.00 O ATOM 917 CB GLN A 56 0.961 -8.801 6.136 1.00 0.00 C ATOM 918 CG GLN A 56 2.457 -8.611 6.325 1.00 0.00 C ATOM 919 CD GLN A 56 2.804 -8.021 7.678 1.00 0.00 C ATOM 920 OE1 GLN A 56 2.956 -6.807 7.818 1.00 0.00 O ATOM 921 NE2 GLN A 56 2.932 -8.879 8.683 1.00 0.00 N ATOM 0 H GLN A 56 0.704 -6.716 4.799 1.00 0.00 H new ATOM 0 HA GLN A 56 1.178 -9.465 4.104 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.433 -8.007 6.663 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.662 -9.743 6.596 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.959 -9.572 6.213 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.839 -7.959 5.540 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.797 -9.877 8.522 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.165 -8.540 9.616 1.00 0.00 H new ATOM 930 N ASN A 57 -1.855 -8.545 5.065 1.00 0.00 N ATOM 931 CA ASN A 57 -3.261 -8.927 5.018 1.00 0.00 C ATOM 932 C ASN A 57 -3.708 -9.184 3.582 1.00 0.00 C ATOM 933 O ASN A 57 -4.595 -10.001 3.335 1.00 0.00 O ATOM 934 CB ASN A 57 -4.129 -7.834 5.646 1.00 0.00 C ATOM 935 CG ASN A 57 -4.329 -8.039 7.135 1.00 0.00 C ATOM 936 OD1 ASN A 57 -4.570 -9.156 7.592 1.00 0.00 O ATOM 937 ND2 ASN A 57 -4.231 -6.957 7.900 1.00 0.00 N ATOM 0 H ASN A 57 -1.676 -7.648 5.517 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.380 -9.849 5.587 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.665 -6.862 5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.100 -7.816 5.151 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.357 -7.033 8.909 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.030 -6.051 7.478 1.00 0.00 H new ATOM 944 N ARG A 58 -3.087 -8.482 2.640 1.00 0.00 N ATOM 945 CA ARG A 58 -3.421 -8.633 1.229 1.00 0.00 C ATOM 946 C ARG A 58 -3.155 -10.060 0.758 1.00 0.00 C ATOM 947 O ARG A 58 -3.999 -10.678 0.110 1.00 0.00 O ATOM 948 CB ARG A 58 -2.614 -7.647 0.383 1.00 0.00 C ATOM 949 CG ARG A 58 -3.333 -7.197 -0.878 1.00 0.00 C ATOM 950 CD ARG A 58 -4.562 -6.364 -0.553 1.00 0.00 C ATOM 951 NE ARG A 58 -5.117 -5.719 -1.740 1.00 0.00 N ATOM 952 CZ ARG A 58 -5.764 -6.374 -2.697 1.00 0.00 C ATOM 953 NH1 ARG A 58 -5.937 -7.685 -2.607 1.00 0.00 N ATOM 954 NH2 ARG A 58 -6.240 -5.717 -3.747 1.00 0.00 N ATOM 0 H ARG A 58 -2.350 -7.803 2.828 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.483 -8.420 1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.376 -6.772 0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.667 -8.109 0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.651 -6.615 -1.498 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.628 -8.070 -1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.321 -7.000 -0.098 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.300 -5.604 0.183 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.001 -4.710 -1.839 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.573 -8.193 -1.801 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.434 -8.186 -3.344 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.109 -4.708 -3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.737 -6.221 -4.482 1.00 0.00 H new ATOM 968 N ARG A 59 -1.976 -10.577 1.088 1.00 0.00 N ATOM 969 CA ARG A 59 -1.598 -11.929 0.698 1.00 0.00 C ATOM 970 C ARG A 59 -2.251 -12.962 1.612 1.00 0.00 C ATOM 971 O ARG A 59 -2.806 -13.956 1.145 1.00 0.00 O ATOM 972 CB ARG A 59 -0.076 -12.088 0.737 1.00 0.00 C ATOM 973 CG ARG A 59 0.602 -11.776 -0.587 1.00 0.00 C ATOM 974 CD ARG A 59 1.860 -12.609 -0.778 1.00 0.00 C ATOM 975 NE ARG A 59 1.576 -14.042 -0.761 1.00 0.00 N ATOM 976 CZ ARG A 59 1.009 -14.690 -1.771 1.00 0.00 C ATOM 977 NH1 ARG A 59 0.668 -14.038 -2.874 1.00 0.00 N ATOM 978 NH2 ARG A 59 0.783 -15.995 -1.681 1.00 0.00 N ATOM 0 H ARG A 59 -1.266 -10.079 1.625 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.948 -12.097 -0.320 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.330 -11.432 1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.167 -13.110 1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.091 -11.968 -1.406 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.856 -10.717 -0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.330 -12.344 -1.725 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.575 -12.372 0.010 1.00 0.00 H new ATOM 0 HE ARG A 59 1.827 -14.573 0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.841 -13.036 -2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.232 -14.539 -3.648 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.045 -16.501 -0.835 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.347 -16.492 -2.458 1.00 0.00 H new ATOM 992 N VAL A 60 -2.180 -12.719 2.917 1.00 0.00 N ATOM 993 CA VAL A 60 -2.764 -13.627 3.896 1.00 0.00 C ATOM 994 C VAL A 60 -4.260 -13.803 3.659 1.00 0.00 C ATOM 995 O VAL A 60 -4.846 -14.815 4.043 1.00 0.00 O ATOM 996 CB VAL A 60 -2.540 -13.121 5.334 1.00 0.00 C ATOM 997 CG1 VAL A 60 -3.074 -14.126 6.343 1.00 0.00 C ATOM 998 CG2 VAL A 60 -1.065 -12.842 5.576 1.00 0.00 C ATOM 0 H VAL A 60 -1.724 -11.901 3.320 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.264 -14.588 3.774 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.089 -12.188 5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.907 -13.751 7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.142 -14.271 6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.556 -15.077 6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.925 -12.485 6.596 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.493 -13.758 5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.719 -12.082 4.875 1.00 0.00 H new