USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=13 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 Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0174) USER MOD Single : A 18 GLN : amide:sc= 1.69 K(o=1.7,f=-6.1!) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.154 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.879 F(o=-2!,f=-0.88) USER MOD Single : A 30 LYS NZ :NH3+ -145:sc= -0.0552 (180deg=-0.462) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.329 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 144:sc= -0.113 (180deg=-0.383) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 66:sc= 0.995 USER MOD Single : A 44 THR OG1 : rot -50:sc= -0.381! USER MOD Single : A 45 SER OG : rot -54:sc= 0.00579 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0868 X(o=-0.087,f=0) USER MOD Single : A 52 THR OG1 : rot 80:sc= 0.385 USER MOD Single : A 56 GLN : amide:sc= -0.0804 K(o=-0.08,f=-1.4!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 177 N PRO A 13 -9.843 1.592 6.213 1.00 0.00 N ATOM 178 CA PRO A 13 -8.954 2.758 6.221 1.00 0.00 C ATOM 179 C PRO A 13 -8.218 2.935 4.898 1.00 0.00 C ATOM 180 O PRO A 13 -8.526 2.267 3.910 1.00 0.00 O ATOM 181 CB PRO A 13 -7.964 2.441 7.345 1.00 0.00 C ATOM 182 CG PRO A 13 -7.945 0.954 7.425 1.00 0.00 C ATOM 183 CD PRO A 13 -9.241 0.429 6.885 1.00 0.00 C ATOM 0 HA PRO A 13 -9.503 3.688 6.367 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.973 2.838 7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.282 2.884 8.289 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.108 0.555 6.853 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.807 0.632 8.457 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.079 -0.395 6.189 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.882 0.052 7.682 1.00 0.00 H new ATOM 191 N TYR A 14 -7.243 3.838 4.884 1.00 0.00 N ATOM 192 CA TYR A 14 -6.464 4.104 3.681 1.00 0.00 C ATOM 193 C TYR A 14 -7.347 4.678 2.577 1.00 0.00 C ATOM 194 O TYR A 14 -8.198 3.983 2.022 1.00 0.00 O ATOM 195 CB TYR A 14 -5.787 2.822 3.193 1.00 0.00 C ATOM 196 CG TYR A 14 -5.051 2.074 4.281 1.00 0.00 C ATOM 197 CD1 TYR A 14 -3.929 2.623 4.892 1.00 0.00 C ATOM 198 CD2 TYR A 14 -5.475 0.819 4.698 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.253 1.943 5.886 1.00 0.00 C ATOM 200 CE2 TYR A 14 -4.806 0.132 5.693 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.695 0.698 6.283 1.00 0.00 C ATOM 202 OH TYR A 14 -3.025 0.017 7.274 1.00 0.00 O ATOM 0 H TYR A 14 -6.974 4.398 5.693 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.699 4.839 3.929 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.541 2.166 2.759 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.085 3.072 2.397 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.580 3.598 4.584 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.343 0.372 4.236 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.383 2.384 6.350 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.151 -0.842 6.007 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.466 -0.843 7.435 1.00 0.00 H new ATOM 212 N SER A 15 -7.136 5.953 2.263 1.00 0.00 N ATOM 213 CA SER A 15 -7.913 6.623 1.227 1.00 0.00 C ATOM 214 C SER A 15 -7.494 6.148 -0.160 1.00 0.00 C ATOM 215 O SER A 15 -6.436 5.541 -0.329 1.00 0.00 O ATOM 216 CB SER A 15 -7.741 8.140 1.332 1.00 0.00 C ATOM 217 OG SER A 15 -8.531 8.671 2.382 1.00 0.00 O ATOM 0 H SER A 15 -6.434 6.542 2.711 1.00 0.00 H new ATOM 0 HA SER A 15 -8.963 6.372 1.376 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.692 8.379 1.505 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.023 8.607 0.388 1.00 0.00 H new ATOM 0 HG SER A 15 -8.402 9.641 2.430 1.00 0.00 H new ATOM 223 N LYS A 16 -8.332 6.427 -1.153 1.00 0.00 N ATOM 224 CA LYS A 16 -8.051 6.030 -2.527 1.00 0.00 C ATOM 225 C LYS A 16 -6.659 6.488 -2.952 1.00 0.00 C ATOM 226 O LYS A 16 -5.972 5.800 -3.705 1.00 0.00 O ATOM 227 CB LYS A 16 -9.102 6.614 -3.474 1.00 0.00 C ATOM 228 CG LYS A 16 -9.088 5.990 -4.858 1.00 0.00 C ATOM 229 CD LYS A 16 -9.682 4.592 -4.846 1.00 0.00 C ATOM 230 CE LYS A 16 -9.928 4.078 -6.256 1.00 0.00 C ATOM 231 NZ LYS A 16 -8.660 3.939 -7.025 1.00 0.00 N ATOM 0 H LYS A 16 -9.212 6.927 -1.031 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.088 4.942 -2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.090 6.479 -3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.938 7.688 -3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.651 6.619 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.064 5.948 -5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.008 3.914 -4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.620 4.599 -4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.431 3.112 -6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.597 4.760 -6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.865 3.538 -7.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.218 4.874 -7.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.011 3.308 -6.513 1.00 0.00 H new ATOM 245 N GLY A 17 -6.249 7.654 -2.462 1.00 0.00 N ATOM 246 CA GLY A 17 -4.941 8.183 -2.801 1.00 0.00 C ATOM 247 C GLY A 17 -3.814 7.398 -2.157 1.00 0.00 C ATOM 248 O GLY A 17 -2.715 7.318 -2.705 1.00 0.00 O ATOM 0 H GLY A 17 -6.800 8.242 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.816 8.170 -3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.881 9.225 -2.486 1.00 0.00 H new ATOM 252 N GLN A 18 -4.088 6.821 -0.992 1.00 0.00 N ATOM 253 CA GLN A 18 -3.087 6.041 -0.273 1.00 0.00 C ATOM 254 C GLN A 18 -3.013 4.618 -0.816 1.00 0.00 C ATOM 255 O GLN A 18 -1.927 4.096 -1.074 1.00 0.00 O ATOM 256 CB GLN A 18 -3.409 6.014 1.222 1.00 0.00 C ATOM 257 CG GLN A 18 -3.376 7.385 1.877 1.00 0.00 C ATOM 258 CD GLN A 18 -3.841 7.355 3.319 1.00 0.00 C ATOM 259 OE1 GLN A 18 -5.029 7.186 3.597 1.00 0.00 O ATOM 260 NE2 GLN A 18 -2.905 7.517 4.247 1.00 0.00 N ATOM 0 H GLN A 18 -4.993 6.878 -0.526 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.117 6.517 -0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.397 5.576 1.364 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.696 5.362 1.727 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.361 7.779 1.835 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.007 8.069 1.310 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.932 7.654 3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.159 7.504 5.235 1.00 0.00 H new ATOM 269 N LEU A 19 -4.173 3.994 -0.985 1.00 0.00 N ATOM 270 CA LEU A 19 -4.241 2.629 -1.497 1.00 0.00 C ATOM 271 C LEU A 19 -3.756 2.565 -2.942 1.00 0.00 C ATOM 272 O LEU A 19 -3.315 1.517 -3.413 1.00 0.00 O ATOM 273 CB LEU A 19 -5.672 2.098 -1.403 1.00 0.00 C ATOM 274 CG LEU A 19 -6.270 2.024 0.002 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.789 2.017 -0.064 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.760 0.791 0.734 1.00 0.00 C ATOM 0 H LEU A 19 -5.080 4.411 -0.775 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.589 2.005 -0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.314 2.730 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.697 1.100 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.955 2.908 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.197 1.964 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.136 2.930 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.124 1.152 -0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.196 0.754 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.044 -0.104 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.674 0.838 0.814 1.00 0.00 H new ATOM 288 N ARG A 20 -3.839 3.693 -3.639 1.00 0.00 N ATOM 289 CA ARG A 20 -3.408 3.766 -5.030 1.00 0.00 C ATOM 290 C ARG A 20 -1.942 3.362 -5.166 1.00 0.00 C ATOM 291 O ARG A 20 -1.552 2.729 -6.147 1.00 0.00 O ATOM 292 CB ARG A 20 -3.611 5.180 -5.576 1.00 0.00 C ATOM 293 CG ARG A 20 -2.992 5.398 -6.947 1.00 0.00 C ATOM 294 CD ARG A 20 -3.159 6.837 -7.411 1.00 0.00 C ATOM 295 NE ARG A 20 -4.346 7.010 -8.244 1.00 0.00 N ATOM 296 CZ ARG A 20 -4.706 8.171 -8.778 1.00 0.00 C ATOM 297 NH1 ARG A 20 -3.974 9.257 -8.568 1.00 0.00 N ATOM 298 NH2 ARG A 20 -5.800 8.249 -9.525 1.00 0.00 N ATOM 0 H ARG A 20 -4.201 4.569 -3.263 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.015 3.070 -5.609 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.679 5.389 -5.632 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.182 5.896 -4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.932 5.146 -6.913 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.457 4.726 -7.668 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.227 7.492 -6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.275 7.142 -7.972 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.931 6.194 -8.426 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.132 9.202 -7.995 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.253 10.148 -8.980 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.366 7.416 -9.690 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.075 9.142 -9.935 1.00 0.00 H new ATOM 312 N GLU A 21 -1.137 3.735 -4.177 1.00 0.00 N ATOM 313 CA GLU A 21 0.286 3.412 -4.188 1.00 0.00 C ATOM 314 C GLU A 21 0.536 2.036 -3.580 1.00 0.00 C ATOM 315 O GLU A 21 1.429 1.306 -4.013 1.00 0.00 O ATOM 316 CB GLU A 21 1.078 4.473 -3.421 1.00 0.00 C ATOM 317 CG GLU A 21 0.889 5.881 -3.960 1.00 0.00 C ATOM 318 CD GLU A 21 1.213 5.989 -5.437 1.00 0.00 C ATOM 319 OE1 GLU A 21 0.398 5.521 -6.259 1.00 0.00 O ATOM 320 OE2 GLU A 21 2.281 6.543 -5.771 1.00 0.00 O ATOM 0 H GLU A 21 -1.444 4.260 -3.359 1.00 0.00 H new ATOM 0 HA GLU A 21 0.622 3.398 -5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.779 4.451 -2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.137 4.219 -3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.142 6.194 -3.794 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.525 6.568 -3.401 1.00 0.00 H new ATOM 327 N LEU A 22 -0.257 1.687 -2.573 1.00 0.00 N ATOM 328 CA LEU A 22 -0.122 0.398 -1.903 1.00 0.00 C ATOM 329 C LEU A 22 -0.444 -0.747 -2.856 1.00 0.00 C ATOM 330 O LEU A 22 0.296 -1.727 -2.938 1.00 0.00 O ATOM 331 CB LEU A 22 -1.043 0.336 -0.683 1.00 0.00 C ATOM 332 CG LEU A 22 -0.661 1.237 0.493 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.801 1.315 1.497 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.608 0.730 1.162 1.00 0.00 C ATOM 0 H LEU A 22 -1.001 2.279 -2.202 1.00 0.00 H new ATOM 0 HA LEU A 22 0.912 0.293 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.053 0.596 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.076 -0.695 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.471 2.240 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.512 1.960 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.687 1.724 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.023 0.317 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.865 1.383 1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.445 -0.283 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.424 0.727 0.439 1.00 0.00 H new ATOM 346 N GLU A 23 -1.554 -0.616 -3.577 1.00 0.00 N ATOM 347 CA GLU A 23 -1.973 -1.641 -4.527 1.00 0.00 C ATOM 348 C GLU A 23 -0.998 -1.728 -5.698 1.00 0.00 C ATOM 349 O GLU A 23 -0.743 -2.810 -6.227 1.00 0.00 O ATOM 350 CB GLU A 23 -3.382 -1.344 -5.043 1.00 0.00 C ATOM 351 CG GLU A 23 -4.437 -1.316 -3.950 1.00 0.00 C ATOM 352 CD GLU A 23 -5.743 -0.700 -4.414 1.00 0.00 C ATOM 353 OE1 GLU A 23 -5.763 0.523 -4.668 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.743 -1.439 -4.522 1.00 0.00 O ATOM 0 H GLU A 23 -2.178 0.189 -3.521 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.979 -2.600 -4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.377 -0.382 -5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.656 -2.098 -5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.622 -2.333 -3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.057 -0.753 -3.098 1.00 0.00 H new ATOM 361 N ARG A 24 -0.458 -0.582 -6.098 1.00 0.00 N ATOM 362 CA ARG A 24 0.486 -0.528 -7.207 1.00 0.00 C ATOM 363 C ARG A 24 1.775 -1.266 -6.860 1.00 0.00 C ATOM 364 O ARG A 24 2.131 -2.251 -7.506 1.00 0.00 O ATOM 365 CB ARG A 24 0.800 0.926 -7.567 1.00 0.00 C ATOM 366 CG ARG A 24 1.931 1.074 -8.572 1.00 0.00 C ATOM 367 CD ARG A 24 1.648 2.186 -9.570 1.00 0.00 C ATOM 368 NE ARG A 24 0.951 1.694 -10.755 1.00 0.00 N ATOM 369 CZ ARG A 24 0.898 2.357 -11.905 1.00 0.00 C ATOM 370 NH1 ARG A 24 1.498 3.533 -12.024 1.00 0.00 N ATOM 371 NH2 ARG A 24 0.245 1.843 -12.939 1.00 0.00 N ATOM 0 H ARG A 24 -0.658 0.322 -5.670 1.00 0.00 H new ATOM 0 HA ARG A 24 0.027 -1.017 -8.066 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.098 1.393 -7.972 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.060 1.469 -6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.862 1.285 -8.045 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.072 0.133 -9.104 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.047 2.959 -9.091 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.587 2.652 -9.869 1.00 0.00 H new ATOM 0 HE ARG A 24 0.479 0.792 -10.697 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.002 3.931 -11.231 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.456 4.040 -12.908 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.217 0.938 -12.852 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.205 2.353 -13.821 1.00 0.00 H new ATOM 385 N GLU A 25 2.471 -0.783 -5.835 1.00 0.00 N ATOM 386 CA GLU A 25 3.721 -1.397 -5.404 1.00 0.00 C ATOM 387 C GLU A 25 3.524 -2.880 -5.106 1.00 0.00 C ATOM 388 O GLU A 25 4.370 -3.710 -5.443 1.00 0.00 O ATOM 389 CB GLU A 25 4.264 -0.684 -4.164 1.00 0.00 C ATOM 390 CG GLU A 25 5.178 0.486 -4.485 1.00 0.00 C ATOM 391 CD GLU A 25 4.659 1.335 -5.630 1.00 0.00 C ATOM 392 OE1 GLU A 25 5.005 1.040 -6.792 1.00 0.00 O ATOM 393 OE2 GLU A 25 3.905 2.294 -5.362 1.00 0.00 O ATOM 0 H GLU A 25 2.190 0.031 -5.288 1.00 0.00 H new ATOM 0 HA GLU A 25 4.443 -1.300 -6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.426 -0.326 -3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.809 -1.402 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.290 1.109 -3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.169 0.109 -4.737 1.00 0.00 H new ATOM 400 N TYR A 26 2.404 -3.207 -4.472 1.00 0.00 N ATOM 401 CA TYR A 26 2.096 -4.589 -4.126 1.00 0.00 C ATOM 402 C TYR A 26 1.972 -5.450 -5.379 1.00 0.00 C ATOM 403 O TYR A 26 2.581 -6.515 -5.477 1.00 0.00 O ATOM 404 CB TYR A 26 0.800 -4.658 -3.316 1.00 0.00 C ATOM 405 CG TYR A 26 0.316 -6.069 -3.068 1.00 0.00 C ATOM 406 CD1 TYR A 26 1.155 -7.025 -2.510 1.00 0.00 C ATOM 407 CD2 TYR A 26 -0.982 -6.445 -3.392 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.716 -8.315 -2.282 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.430 -7.732 -3.166 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.577 -8.664 -2.612 1.00 0.00 C ATOM 411 OH TYR A 26 -1.018 -9.947 -2.385 1.00 0.00 O ATOM 0 H TYR A 26 1.694 -2.533 -4.187 1.00 0.00 H new ATOM 0 HA TYR A 26 2.916 -4.976 -3.521 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.953 -4.162 -2.358 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.023 -4.103 -3.842 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.168 -6.755 -2.250 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.652 -5.719 -3.828 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.382 -9.046 -1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.443 -8.007 -3.422 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.952 -10.028 -2.672 1.00 0.00 H new ATOM 421 N ALA A 27 1.180 -4.979 -6.336 1.00 0.00 N ATOM 422 CA ALA A 27 0.977 -5.703 -7.585 1.00 0.00 C ATOM 423 C ALA A 27 2.302 -5.949 -8.299 1.00 0.00 C ATOM 424 O ALA A 27 2.427 -6.881 -9.093 1.00 0.00 O ATOM 425 CB ALA A 27 0.022 -4.939 -8.490 1.00 0.00 C ATOM 0 H ALA A 27 0.668 -4.099 -6.271 1.00 0.00 H new ATOM 0 HA ALA A 27 0.537 -6.671 -7.346 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.120 -5.492 -9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.938 -4.820 -7.988 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.439 -3.957 -8.713 1.00 0.00 H new ATOM 431 N ALA A 28 3.289 -5.107 -8.011 1.00 0.00 N ATOM 432 CA ALA A 28 4.605 -5.234 -8.624 1.00 0.00 C ATOM 433 C ALA A 28 5.506 -6.152 -7.805 1.00 0.00 C ATOM 434 O ALA A 28 6.322 -6.889 -8.357 1.00 0.00 O ATOM 435 CB ALA A 28 5.248 -3.864 -8.783 1.00 0.00 C ATOM 0 H ALA A 28 3.202 -4.329 -7.357 1.00 0.00 H new ATOM 0 HA ALA A 28 4.477 -5.680 -9.611 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.230 -3.974 -9.242 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.619 -3.238 -9.417 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.355 -3.397 -7.804 1.00 0.00 H new ATOM 441 N ASN A 29 5.353 -6.100 -6.486 1.00 0.00 N ATOM 442 CA ASN A 29 6.154 -6.927 -5.591 1.00 0.00 C ATOM 443 C ASN A 29 5.453 -7.114 -4.249 1.00 0.00 C ATOM 444 O ASN A 29 4.928 -6.162 -3.672 1.00 0.00 O ATOM 445 CB ASN A 29 7.531 -6.295 -5.375 1.00 0.00 C ATOM 446 CG ASN A 29 7.472 -4.780 -5.335 1.00 0.00 C ATOM 447 OD1 ASN A 29 6.819 -4.241 -4.312 1.00 0.00 O flip ATOM 448 ND2 ASN A 29 8.007 -4.103 -6.213 1.00 0.00 N flip ATOM 0 H ASN A 29 4.682 -5.494 -6.013 1.00 0.00 H new ATOM 0 HA ASN A 29 6.278 -7.905 -6.055 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.955 -6.664 -4.441 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.201 -6.609 -6.175 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.498 -4.560 -6.981 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.959 -3.085 -6.172 1.00 0.00 H new ATOM 455 N LYS A 30 5.447 -8.349 -3.758 1.00 0.00 N ATOM 456 CA LYS A 30 4.812 -8.663 -2.484 1.00 0.00 C ATOM 457 C LYS A 30 5.652 -8.153 -1.317 1.00 0.00 C ATOM 458 O LYS A 30 5.119 -7.638 -0.334 1.00 0.00 O ATOM 459 CB LYS A 30 4.602 -10.173 -2.353 1.00 0.00 C ATOM 460 CG LYS A 30 4.030 -10.818 -3.604 1.00 0.00 C ATOM 461 CD LYS A 30 2.619 -10.331 -3.886 1.00 0.00 C ATOM 462 CE LYS A 30 2.043 -10.986 -5.132 1.00 0.00 C ATOM 463 NZ LYS A 30 2.960 -10.862 -6.299 1.00 0.00 N ATOM 0 H LYS A 30 5.875 -9.149 -4.224 1.00 0.00 H new ATOM 0 HA LYS A 30 3.843 -8.164 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.555 -10.645 -2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.932 -10.367 -1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.671 -10.593 -4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.025 -11.902 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.980 -10.549 -3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.625 -9.248 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.850 -12.040 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.084 -10.527 -5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.401 -10.747 -7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.575 -10.033 -6.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.545 -11.719 -6.374 1.00 0.00 H new ATOM 477 N PHE A 31 6.968 -8.298 -1.433 1.00 0.00 N ATOM 478 CA PHE A 31 7.882 -7.851 -0.388 1.00 0.00 C ATOM 479 C PHE A 31 8.718 -6.668 -0.867 1.00 0.00 C ATOM 480 O PHE A 31 9.629 -6.827 -1.680 1.00 0.00 O ATOM 481 CB PHE A 31 8.798 -8.998 0.041 1.00 0.00 C ATOM 482 CG PHE A 31 8.058 -10.185 0.588 1.00 0.00 C ATOM 483 CD1 PHE A 31 7.472 -11.106 -0.265 1.00 0.00 C ATOM 484 CD2 PHE A 31 7.947 -10.379 1.956 1.00 0.00 C ATOM 485 CE1 PHE A 31 6.790 -12.200 0.236 1.00 0.00 C ATOM 486 CE2 PHE A 31 7.266 -11.470 2.462 1.00 0.00 C ATOM 487 CZ PHE A 31 6.686 -12.381 1.601 1.00 0.00 C ATOM 0 H PHE A 31 7.425 -8.722 -2.240 1.00 0.00 H new ATOM 0 HA PHE A 31 7.288 -7.530 0.468 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.395 -9.315 -0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.493 -8.633 0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.549 -10.968 -1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.398 -9.670 2.634 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.339 -12.912 -0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.187 -11.610 3.530 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.152 -13.233 1.995 1.00 0.00 H new ATOM 497 N ILE A 32 8.402 -5.483 -0.356 1.00 0.00 N ATOM 498 CA ILE A 32 9.124 -4.273 -0.730 1.00 0.00 C ATOM 499 C ILE A 32 10.423 -4.143 0.058 1.00 0.00 C ATOM 500 O ILE A 32 10.724 -4.967 0.922 1.00 0.00 O ATOM 501 CB ILE A 32 8.269 -3.013 -0.501 1.00 0.00 C ATOM 502 CG1 ILE A 32 8.024 -2.801 0.994 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.949 -3.126 -1.249 1.00 0.00 C ATOM 504 CD1 ILE A 32 7.199 -1.572 1.303 1.00 0.00 C ATOM 0 H ILE A 32 7.651 -5.335 0.318 1.00 0.00 H new ATOM 0 HA ILE A 32 9.353 -4.358 -1.792 1.00 0.00 H new ATOM 0 HB ILE A 32 8.810 -2.149 -0.887 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.520 -3.678 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.984 -2.722 1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.356 -2.228 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.144 -3.234 -2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.401 -3.997 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.065 -1.485 2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.712 -0.686 0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.224 -1.658 0.822 1.00 0.00 H new ATOM 516 N THR A 33 11.190 -3.100 -0.244 1.00 0.00 N ATOM 517 CA THR A 33 12.456 -2.860 0.436 1.00 0.00 C ATOM 518 C THR A 33 12.394 -1.594 1.284 1.00 0.00 C ATOM 519 O THR A 33 11.506 -0.760 1.108 1.00 0.00 O ATOM 520 CB THR A 33 13.618 -2.735 -0.568 1.00 0.00 C ATOM 521 OG1 THR A 33 14.802 -2.291 0.106 1.00 0.00 O ATOM 522 CG2 THR A 33 13.268 -1.761 -1.683 1.00 0.00 C ATOM 0 H THR A 33 10.956 -2.408 -0.956 1.00 0.00 H new ATOM 0 HA THR A 33 12.635 -3.719 1.083 1.00 0.00 H new ATOM 0 HB THR A 33 13.796 -3.716 -1.007 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.536 -2.216 -0.538 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.104 -1.689 -2.379 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.384 -2.116 -2.212 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.065 -0.778 -1.257 1.00 0.00 H new ATOM 530 N LYS A 34 13.342 -1.457 2.204 1.00 0.00 N ATOM 531 CA LYS A 34 13.397 -0.292 3.079 1.00 0.00 C ATOM 532 C LYS A 34 13.479 0.996 2.266 1.00 0.00 C ATOM 533 O LYS A 34 13.100 2.066 2.741 1.00 0.00 O ATOM 534 CB LYS A 34 14.600 -0.391 4.019 1.00 0.00 C ATOM 535 CG LYS A 34 14.234 -0.284 5.490 1.00 0.00 C ATOM 536 CD LYS A 34 14.331 1.148 5.986 1.00 0.00 C ATOM 537 CE LYS A 34 14.668 1.203 7.468 1.00 0.00 C ATOM 538 NZ LYS A 34 13.464 0.997 8.319 1.00 0.00 N ATOM 0 H LYS A 34 14.084 -2.139 2.363 1.00 0.00 H new ATOM 0 HA LYS A 34 12.482 -0.270 3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.107 -1.341 3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.310 0.398 3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.220 -0.654 5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.897 -0.919 6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.094 1.680 5.418 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.386 1.661 5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.411 0.440 7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.118 2.168 7.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.736 1.042 9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.765 1.740 8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.049 0.066 8.114 1.00 0.00 H new ATOM 552 N ASP A 35 13.974 0.884 1.038 1.00 0.00 N ATOM 553 CA ASP A 35 14.103 2.040 0.158 1.00 0.00 C ATOM 554 C ASP A 35 12.769 2.369 -0.505 1.00 0.00 C ATOM 555 O ASP A 35 12.561 3.483 -0.987 1.00 0.00 O ATOM 556 CB ASP A 35 15.166 1.778 -0.910 1.00 0.00 C ATOM 557 CG ASP A 35 16.537 2.278 -0.497 1.00 0.00 C ATOM 558 OD1 ASP A 35 16.716 2.597 0.697 1.00 0.00 O ATOM 559 OD2 ASP A 35 17.430 2.350 -1.367 1.00 0.00 O ATOM 0 H ASP A 35 14.292 0.005 0.630 1.00 0.00 H new ATOM 0 HA ASP A 35 14.409 2.894 0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.218 0.708 -1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.870 2.264 -1.840 1.00 0.00 H new ATOM 564 N LYS A 36 11.868 1.393 -0.526 1.00 0.00 N ATOM 565 CA LYS A 36 10.553 1.578 -1.129 1.00 0.00 C ATOM 566 C LYS A 36 9.508 1.901 -0.066 1.00 0.00 C ATOM 567 O LYS A 36 8.607 2.708 -0.294 1.00 0.00 O ATOM 568 CB LYS A 36 10.142 0.321 -1.900 1.00 0.00 C ATOM 569 CG LYS A 36 8.698 0.343 -2.371 1.00 0.00 C ATOM 570 CD LYS A 36 8.410 1.563 -3.230 1.00 0.00 C ATOM 571 CE LYS A 36 9.269 1.576 -4.485 1.00 0.00 C ATOM 572 NZ LYS A 36 9.176 0.293 -5.234 1.00 0.00 N ATOM 0 H LYS A 36 12.024 0.465 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 36 10.612 2.418 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.796 0.205 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.295 -0.551 -1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.486 -0.562 -2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.033 0.340 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.356 1.572 -3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.595 2.468 -2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.956 2.397 -5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.308 1.763 -4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.213 0.484 -6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.971 -0.323 -4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.279 -0.180 -5.002 1.00 0.00 H new ATOM 586 N ARG A 37 9.634 1.266 1.094 1.00 0.00 N ATOM 587 CA ARG A 37 8.700 1.486 2.192 1.00 0.00 C ATOM 588 C ARG A 37 8.784 2.924 2.697 1.00 0.00 C ATOM 589 O ARG A 37 7.827 3.448 3.267 1.00 0.00 O ATOM 590 CB ARG A 37 8.988 0.514 3.337 1.00 0.00 C ATOM 591 CG ARG A 37 8.035 0.659 4.513 1.00 0.00 C ATOM 592 CD ARG A 37 7.729 -0.687 5.150 1.00 0.00 C ATOM 593 NE ARG A 37 8.339 -0.819 6.471 1.00 0.00 N ATOM 594 CZ ARG A 37 9.603 -1.177 6.664 1.00 0.00 C ATOM 595 NH1 ARG A 37 10.388 -1.437 5.628 1.00 0.00 N ATOM 596 NH2 ARG A 37 10.085 -1.274 7.897 1.00 0.00 N ATOM 0 H ARG A 37 10.374 0.595 1.298 1.00 0.00 H new ATOM 0 HA ARG A 37 7.691 1.308 1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.932 -0.507 2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.009 0.669 3.686 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.472 1.324 5.257 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.108 1.123 4.177 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.649 -0.811 5.235 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.091 -1.485 4.502 1.00 0.00 H new ATOM 0 HE ARG A 37 7.762 -0.626 7.290 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.022 -1.362 4.679 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.359 -1.712 5.780 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.484 -1.074 8.697 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.056 -1.549 8.045 1.00 0.00 H new ATOM 610 N ARG A 38 9.934 3.554 2.484 1.00 0.00 N ATOM 611 CA ARG A 38 10.144 4.930 2.919 1.00 0.00 C ATOM 612 C ARG A 38 9.360 5.902 2.042 1.00 0.00 C ATOM 613 O ARG A 38 8.753 6.851 2.538 1.00 0.00 O ATOM 614 CB ARG A 38 11.633 5.278 2.881 1.00 0.00 C ATOM 615 CG ARG A 38 12.264 5.106 1.509 1.00 0.00 C ATOM 616 CD ARG A 38 13.765 5.349 1.552 1.00 0.00 C ATOM 617 NE ARG A 38 14.090 6.772 1.523 1.00 0.00 N ATOM 618 CZ ARG A 38 15.332 7.242 1.516 1.00 0.00 C ATOM 619 NH1 ARG A 38 16.361 6.406 1.534 1.00 0.00 N ATOM 620 NH2 ARG A 38 15.548 8.551 1.490 1.00 0.00 N ATOM 0 H ARG A 38 10.735 3.134 2.013 1.00 0.00 H new ATOM 0 HA ARG A 38 9.784 5.020 3.944 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.765 6.310 3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.163 4.649 3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.068 4.099 1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.802 5.799 0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.179 4.901 2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.237 4.852 0.705 1.00 0.00 H new ATOM 0 HE ARG A 38 13.321 7.442 1.507 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.200 5.399 1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.314 6.770 1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.759 9.198 1.475 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.503 8.910 1.485 1.00 0.00 H new ATOM 634 N LYS A 39 9.379 5.660 0.735 1.00 0.00 N ATOM 635 CA LYS A 39 8.671 6.512 -0.212 1.00 0.00 C ATOM 636 C LYS A 39 7.162 6.407 -0.016 1.00 0.00 C ATOM 637 O LYS A 39 6.473 7.418 0.122 1.00 0.00 O ATOM 638 CB LYS A 39 9.038 6.129 -1.647 1.00 0.00 C ATOM 639 CG LYS A 39 10.531 6.162 -1.923 1.00 0.00 C ATOM 640 CD LYS A 39 11.001 7.561 -2.284 1.00 0.00 C ATOM 641 CE LYS A 39 10.617 7.928 -3.709 1.00 0.00 C ATOM 642 NZ LYS A 39 11.416 9.076 -4.220 1.00 0.00 N ATOM 0 H LYS A 39 9.878 4.880 0.308 1.00 0.00 H new ATOM 0 HA LYS A 39 8.972 7.544 -0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.661 5.128 -1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.535 6.808 -2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.072 5.811 -1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.767 5.477 -2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.566 8.282 -1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.083 7.623 -2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.764 7.065 -4.359 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.557 8.178 -3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.125 9.296 -5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.256 9.907 -3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.426 8.829 -4.208 1.00 0.00 H new ATOM 656 N ILE A 40 6.656 5.179 -0.003 1.00 0.00 N ATOM 657 CA ILE A 40 5.229 4.942 0.179 1.00 0.00 C ATOM 658 C ILE A 40 4.717 5.620 1.445 1.00 0.00 C ATOM 659 O ILE A 40 3.592 6.119 1.483 1.00 0.00 O ATOM 660 CB ILE A 40 4.912 3.437 0.252 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.406 2.728 -1.011 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.419 3.219 0.439 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.189 1.231 -0.987 1.00 0.00 C ATOM 0 H ILE A 40 7.213 4.332 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 40 4.725 5.369 -0.689 1.00 0.00 H new ATOM 0 HB ILE A 40 5.431 3.012 1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.894 3.147 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.469 2.931 -1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.211 2.150 0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.095 3.695 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.880 3.655 -0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.563 0.794 -1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.724 0.799 -0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.124 1.019 -0.890 1.00 0.00 H new ATOM 675 N SER A 41 5.551 5.637 2.480 1.00 0.00 N ATOM 676 CA SER A 41 5.182 6.252 3.749 1.00 0.00 C ATOM 677 C SER A 41 5.053 7.765 3.603 1.00 0.00 C ATOM 678 O SER A 41 4.338 8.415 4.364 1.00 0.00 O ATOM 679 CB SER A 41 6.220 5.919 4.823 1.00 0.00 C ATOM 680 OG SER A 41 6.320 6.962 5.777 1.00 0.00 O ATOM 0 H SER A 41 6.487 5.232 2.464 1.00 0.00 H new ATOM 0 HA SER A 41 4.215 5.850 4.051 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.945 4.990 5.323 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.191 5.755 4.356 1.00 0.00 H new ATOM 0 HG SER A 41 5.482 7.026 6.281 1.00 0.00 H new ATOM 686 N ALA A 42 5.752 8.319 2.617 1.00 0.00 N ATOM 687 CA ALA A 42 5.716 9.755 2.368 1.00 0.00 C ATOM 688 C ALA A 42 4.598 10.115 1.394 1.00 0.00 C ATOM 689 O ALA A 42 3.837 11.053 1.628 1.00 0.00 O ATOM 690 CB ALA A 42 7.058 10.232 1.834 1.00 0.00 C ATOM 0 H ALA A 42 6.350 7.795 1.978 1.00 0.00 H new ATOM 0 HA ALA A 42 5.515 10.258 3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.016 11.306 1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.838 10.017 2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.283 9.715 0.901 1.00 0.00 H new ATOM 696 N ALA A 43 4.507 9.363 0.302 1.00 0.00 N ATOM 697 CA ALA A 43 3.481 9.603 -0.706 1.00 0.00 C ATOM 698 C ALA A 43 2.084 9.443 -0.117 1.00 0.00 C ATOM 699 O ALA A 43 1.213 10.290 -0.317 1.00 0.00 O ATOM 700 CB ALA A 43 3.671 8.660 -1.885 1.00 0.00 C ATOM 0 H ALA A 43 5.130 8.583 0.093 1.00 0.00 H new ATOM 0 HA ALA A 43 3.583 10.630 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.899 8.849 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.653 8.826 -2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.598 7.628 -1.541 1.00 0.00 H new ATOM 706 N THR A 44 1.875 8.349 0.610 1.00 0.00 N ATOM 707 CA THR A 44 0.583 8.077 1.227 1.00 0.00 C ATOM 708 C THR A 44 0.518 8.643 2.641 1.00 0.00 C ATOM 709 O THR A 44 -0.539 8.646 3.270 1.00 0.00 O ATOM 710 CB THR A 44 0.292 6.565 1.277 1.00 0.00 C ATOM 711 OG1 THR A 44 1.117 5.940 2.266 1.00 0.00 O ATOM 712 CG2 THR A 44 0.540 5.921 -0.079 1.00 0.00 C ATOM 0 H THR A 44 2.584 7.637 0.786 1.00 0.00 H new ATOM 0 HA THR A 44 -0.171 8.565 0.609 1.00 0.00 H new ATOM 0 HB THR A 44 -0.757 6.428 1.540 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.050 6.209 2.132 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.328 4.854 -0.019 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.111 6.379 -0.824 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.581 6.068 -0.367 1.00 0.00 H new ATOM 720 N SER A 45 1.656 9.121 3.134 1.00 0.00 N ATOM 721 CA SER A 45 1.729 9.687 4.476 1.00 0.00 C ATOM 722 C SER A 45 1.415 8.629 5.530 1.00 0.00 C ATOM 723 O SER A 45 0.944 8.945 6.623 1.00 0.00 O ATOM 724 CB SER A 45 0.758 10.861 4.611 1.00 0.00 C ATOM 725 OG SER A 45 1.180 11.759 5.623 1.00 0.00 O ATOM 0 H SER A 45 2.540 9.128 2.625 1.00 0.00 H new ATOM 0 HA SER A 45 2.746 10.045 4.637 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.686 11.388 3.660 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.239 10.487 4.845 1.00 0.00 H new ATOM 0 HG SER A 45 1.310 11.269 6.462 1.00 0.00 H new ATOM 731 N LEU A 46 1.678 7.371 5.193 1.00 0.00 N ATOM 732 CA LEU A 46 1.424 6.264 6.109 1.00 0.00 C ATOM 733 C LEU A 46 2.687 5.896 6.881 1.00 0.00 C ATOM 734 O LEU A 46 3.762 6.441 6.630 1.00 0.00 O ATOM 735 CB LEU A 46 0.911 5.047 5.338 1.00 0.00 C ATOM 736 CG LEU A 46 -0.499 5.165 4.758 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.729 4.103 3.694 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.541 5.053 5.861 1.00 0.00 C ATOM 0 H LEU A 46 2.067 7.092 4.292 1.00 0.00 H new ATOM 0 HA LEU A 46 0.664 6.581 6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.602 4.842 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.938 4.183 6.002 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.598 6.145 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.738 4.202 3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.004 4.231 2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.610 3.114 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.538 5.139 5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.443 4.088 6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.390 5.852 6.587 1.00 0.00 H new ATOM 750 N SER A 47 2.549 4.966 7.821 1.00 0.00 N ATOM 751 CA SER A 47 3.679 4.526 8.632 1.00 0.00 C ATOM 752 C SER A 47 4.334 3.290 8.024 1.00 0.00 C ATOM 753 O SER A 47 3.668 2.465 7.399 1.00 0.00 O ATOM 754 CB SER A 47 3.221 4.224 10.060 1.00 0.00 C ATOM 755 OG SER A 47 4.223 4.573 11.001 1.00 0.00 O ATOM 0 H SER A 47 1.667 4.503 8.040 1.00 0.00 H new ATOM 0 HA SER A 47 4.414 5.331 8.656 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.306 4.776 10.276 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.984 3.164 10.153 1.00 0.00 H new ATOM 0 HG SER A 47 3.906 4.372 11.906 1.00 0.00 H new ATOM 761 N GLU A 48 5.645 3.169 8.213 1.00 0.00 N ATOM 762 CA GLU A 48 6.391 2.034 7.682 1.00 0.00 C ATOM 763 C GLU A 48 5.751 0.716 8.107 1.00 0.00 C ATOM 764 O GLU A 48 5.804 -0.275 7.378 1.00 0.00 O ATOM 765 CB GLU A 48 7.845 2.084 8.158 1.00 0.00 C ATOM 766 CG GLU A 48 8.509 3.434 7.945 1.00 0.00 C ATOM 767 CD GLU A 48 9.996 3.405 8.237 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.478 2.378 8.760 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.679 4.409 7.944 1.00 0.00 O ATOM 0 H GLU A 48 6.211 3.842 8.729 1.00 0.00 H new ATOM 0 HA GLU A 48 6.370 2.094 6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.880 1.835 9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.417 1.320 7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.351 3.754 6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.031 4.175 8.586 1.00 0.00 H new ATOM 776 N ARG A 49 5.146 0.712 9.290 1.00 0.00 N ATOM 777 CA ARG A 49 4.497 -0.484 9.813 1.00 0.00 C ATOM 778 C ARG A 49 3.120 -0.675 9.183 1.00 0.00 C ATOM 779 O ARG A 49 2.743 -1.788 8.820 1.00 0.00 O ATOM 780 CB ARG A 49 4.365 -0.395 11.334 1.00 0.00 C ATOM 781 CG ARG A 49 3.711 -1.615 11.961 1.00 0.00 C ATOM 782 CD ARG A 49 4.597 -2.845 11.844 1.00 0.00 C ATOM 783 NE ARG A 49 4.210 -3.891 12.787 1.00 0.00 N ATOM 784 CZ ARG A 49 4.905 -5.008 12.973 1.00 0.00 C ATOM 785 NH1 ARG A 49 6.017 -5.222 12.284 1.00 0.00 N ATOM 786 NH2 ARG A 49 4.487 -5.912 13.849 1.00 0.00 N ATOM 0 H ARG A 49 5.092 1.524 9.905 1.00 0.00 H new ATOM 0 HA ARG A 49 5.117 -1.344 9.559 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.355 -0.260 11.769 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.782 0.490 11.588 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.500 -1.416 13.012 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.755 -1.807 11.474 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.543 -3.235 10.828 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.635 -2.562 12.022 1.00 0.00 H new ATOM 0 HE ARG A 49 3.359 -3.757 13.333 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.341 -4.529 11.610 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.549 -6.080 12.428 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.632 -5.750 14.380 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.021 -6.769 13.991 1.00 0.00 H new ATOM 800 N GLN A 50 2.375 0.419 9.058 1.00 0.00 N ATOM 801 CA GLN A 50 1.040 0.371 8.473 1.00 0.00 C ATOM 802 C GLN A 50 1.084 -0.207 7.063 1.00 0.00 C ATOM 803 O GLN A 50 0.238 -1.019 6.687 1.00 0.00 O ATOM 804 CB GLN A 50 0.423 1.770 8.445 1.00 0.00 C ATOM 805 CG GLN A 50 0.027 2.289 9.818 1.00 0.00 C ATOM 806 CD GLN A 50 -1.175 3.210 9.771 1.00 0.00 C ATOM 807 OE1 GLN A 50 -2.178 2.977 10.446 1.00 0.00 O ATOM 808 NE2 GLN A 50 -1.081 4.265 8.970 1.00 0.00 N ATOM 0 H GLN A 50 2.673 1.349 9.354 1.00 0.00 H new ATOM 0 HA GLN A 50 0.422 -0.279 9.093 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.134 2.463 7.995 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.458 1.757 7.803 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.193 1.445 10.471 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.870 2.821 10.258 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.231 4.420 8.428 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.859 4.920 8.897 1.00 0.00 H new ATOM 817 N ILE A 51 2.075 0.218 6.285 1.00 0.00 N ATOM 818 CA ILE A 51 2.229 -0.259 4.916 1.00 0.00 C ATOM 819 C ILE A 51 2.489 -1.761 4.883 1.00 0.00 C ATOM 820 O ILE A 51 1.939 -2.479 4.048 1.00 0.00 O ATOM 821 CB ILE A 51 3.380 0.467 4.194 1.00 0.00 C ATOM 822 CG1 ILE A 51 3.123 1.975 4.165 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.545 -0.076 2.782 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.304 2.779 3.670 1.00 0.00 C ATOM 0 H ILE A 51 2.782 0.891 6.579 1.00 0.00 H new ATOM 0 HA ILE A 51 1.294 -0.044 4.399 1.00 0.00 H new ATOM 0 HB ILE A 51 4.305 0.286 4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.263 2.177 3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.860 2.310 5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.362 0.447 2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.769 -1.142 2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.622 0.078 2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.051 3.839 3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.160 2.607 4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.554 2.471 2.655 1.00 0.00 H new ATOM 836 N THR A 52 3.331 -2.231 5.799 1.00 0.00 N ATOM 837 CA THR A 52 3.664 -3.648 5.875 1.00 0.00 C ATOM 838 C THR A 52 2.435 -4.484 6.213 1.00 0.00 C ATOM 839 O THR A 52 2.156 -5.488 5.556 1.00 0.00 O ATOM 840 CB THR A 52 4.756 -3.912 6.929 1.00 0.00 C ATOM 841 OG1 THR A 52 5.953 -3.208 6.581 1.00 0.00 O ATOM 842 CG2 THR A 52 5.051 -5.400 7.041 1.00 0.00 C ATOM 0 H THR A 52 3.794 -1.651 6.498 1.00 0.00 H new ATOM 0 HA THR A 52 4.039 -3.938 4.893 1.00 0.00 H new ATOM 0 HB THR A 52 4.393 -3.556 7.893 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.870 -2.269 6.850 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.825 -5.562 7.791 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.145 -5.930 7.335 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.395 -5.776 6.078 1.00 0.00 H new ATOM 850 N ILE A 53 1.703 -4.064 7.239 1.00 0.00 N ATOM 851 CA ILE A 53 0.502 -4.774 7.662 1.00 0.00 C ATOM 852 C ILE A 53 -0.437 -5.016 6.485 1.00 0.00 C ATOM 853 O ILE A 53 -0.854 -6.146 6.232 1.00 0.00 O ATOM 854 CB ILE A 53 -0.254 -3.999 8.757 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.643 -3.794 9.979 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.526 -4.737 9.145 1.00 0.00 C ATOM 857 CD1 ILE A 53 0.243 -2.609 10.830 1.00 0.00 C ATOM 0 H ILE A 53 1.920 -3.236 7.793 1.00 0.00 H new ATOM 0 HA ILE A 53 0.828 -5.732 8.066 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.530 -3.020 8.364 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.620 -4.695 10.592 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.672 -3.661 9.646 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.050 -4.177 9.920 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.170 -4.836 8.271 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.271 -5.727 9.522 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.922 -2.524 11.678 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.293 -1.699 10.233 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.775 -2.749 11.193 1.00 0.00 H new ATOM 869 N TRP A 54 -0.764 -3.947 5.768 1.00 0.00 N ATOM 870 CA TRP A 54 -1.653 -4.043 4.615 1.00 0.00 C ATOM 871 C TRP A 54 -1.108 -5.030 3.588 1.00 0.00 C ATOM 872 O TRP A 54 -1.831 -5.903 3.107 1.00 0.00 O ATOM 873 CB TRP A 54 -1.837 -2.668 3.971 1.00 0.00 C ATOM 874 CG TRP A 54 -2.884 -2.649 2.899 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.221 -2.429 3.063 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.679 -2.862 1.498 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.861 -2.491 1.848 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.937 -2.755 0.872 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.556 -3.131 0.711 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -4.100 -2.909 -0.502 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.720 -3.283 -0.653 1.00 0.00 C ATOM 882 CH2 TRP A 54 -2.983 -3.171 -1.248 1.00 0.00 C ATOM 0 H TRP A 54 -0.427 -3.004 5.964 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.620 -4.406 4.963 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.104 -1.946 4.743 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.887 -2.344 3.547 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.705 -2.235 4.009 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.862 -2.361 1.698 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.578 -3.219 1.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.073 -2.825 -0.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.859 -3.492 -1.271 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.077 -3.294 -2.317 1.00 0.00 H new ATOM 893 N PHE A 55 0.171 -4.886 3.257 1.00 0.00 N ATOM 894 CA PHE A 55 0.812 -5.766 2.286 1.00 0.00 C ATOM 895 C PHE A 55 0.700 -7.225 2.717 1.00 0.00 C ATOM 896 O PHE A 55 0.675 -8.129 1.881 1.00 0.00 O ATOM 897 CB PHE A 55 2.284 -5.384 2.115 1.00 0.00 C ATOM 898 CG PHE A 55 2.531 -4.446 0.968 1.00 0.00 C ATOM 899 CD1 PHE A 55 2.018 -3.159 0.985 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.275 -4.852 -0.128 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.243 -2.294 -0.069 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.504 -3.991 -1.185 1.00 0.00 C ATOM 903 CZ PHE A 55 2.987 -2.711 -1.156 1.00 0.00 C ATOM 0 H PHE A 55 0.784 -4.169 3.646 1.00 0.00 H new ATOM 0 HA PHE A 55 0.299 -5.648 1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.640 -4.921 3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.871 -6.290 1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.435 -2.828 1.832 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.681 -5.853 -0.157 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.838 -1.293 -0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.087 -4.319 -2.033 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.164 -2.037 -1.981 1.00 0.00 H new ATOM 913 N GLN A 56 0.633 -7.446 4.025 1.00 0.00 N ATOM 914 CA GLN A 56 0.525 -8.796 4.567 1.00 0.00 C ATOM 915 C GLN A 56 -0.910 -9.303 4.483 1.00 0.00 C ATOM 916 O GLN A 56 -1.169 -10.375 3.937 1.00 0.00 O ATOM 917 CB GLN A 56 1.004 -8.824 6.020 1.00 0.00 C ATOM 918 CG GLN A 56 2.508 -8.996 6.161 1.00 0.00 C ATOM 919 CD GLN A 56 2.908 -10.429 6.450 1.00 0.00 C ATOM 920 OE1 GLN A 56 2.104 -11.351 6.306 1.00 0.00 O ATOM 921 NE2 GLN A 56 4.155 -10.625 6.861 1.00 0.00 N ATOM 0 H GLN A 56 0.652 -6.709 4.729 1.00 0.00 H new ATOM 0 HA GLN A 56 1.158 -9.452 3.970 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.705 -7.898 6.510 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.503 -9.638 6.544 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.995 -8.665 5.244 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.869 -8.353 6.964 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.788 -9.832 6.967 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.480 -11.569 7.071 1.00 0.00 H new ATOM 930 N ASN A 57 -1.841 -8.525 5.027 1.00 0.00 N ATOM 931 CA ASN A 57 -3.251 -8.897 5.014 1.00 0.00 C ATOM 932 C ASN A 57 -3.750 -9.087 3.585 1.00 0.00 C ATOM 933 O ASN A 57 -4.738 -9.783 3.349 1.00 0.00 O ATOM 934 CB ASN A 57 -4.088 -7.828 5.720 1.00 0.00 C ATOM 935 CG ASN A 57 -4.253 -8.109 7.201 1.00 0.00 C ATOM 936 OD1 ASN A 57 -5.151 -8.847 7.608 1.00 0.00 O ATOM 937 ND2 ASN A 57 -3.386 -7.519 8.015 1.00 0.00 N ATOM 0 H ASN A 57 -1.644 -7.634 5.482 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.357 -9.842 5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.616 -6.855 5.588 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.071 -7.772 5.252 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.448 -7.669 9.022 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.658 -6.915 7.633 1.00 0.00 H new ATOM 944 N ARG A 58 -3.060 -8.464 2.635 1.00 0.00 N ATOM 945 CA ARG A 58 -3.433 -8.564 1.229 1.00 0.00 C ATOM 946 C ARG A 58 -3.082 -9.940 0.670 1.00 0.00 C ATOM 947 O ARG A 58 -3.827 -10.503 -0.132 1.00 0.00 O ATOM 948 CB ARG A 58 -2.730 -7.477 0.414 1.00 0.00 C ATOM 949 CG ARG A 58 -3.685 -6.490 -0.237 1.00 0.00 C ATOM 950 CD ARG A 58 -4.565 -7.169 -1.275 1.00 0.00 C ATOM 951 NE ARG A 58 -5.930 -6.648 -1.260 1.00 0.00 N ATOM 952 CZ ARG A 58 -6.816 -6.883 -2.221 1.00 0.00 C ATOM 953 NH1 ARG A 58 -6.483 -7.626 -3.267 1.00 0.00 N ATOM 954 NH2 ARG A 58 -8.038 -6.374 -2.137 1.00 0.00 N ATOM 0 H ARG A 58 -2.240 -7.885 2.814 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.511 -8.424 1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.046 -6.932 1.065 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.125 -7.949 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.311 -6.030 0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.116 -5.689 -0.709 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.133 -7.026 -2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.585 -8.243 -1.087 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.218 -6.073 -0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.544 -8.019 -3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.166 -7.805 -4.004 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.298 -5.802 -1.334 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.718 -6.555 -2.876 1.00 0.00 H new ATOM 968 N ARG A 59 -1.943 -10.475 1.099 1.00 0.00 N ATOM 969 CA ARG A 59 -1.493 -11.783 0.640 1.00 0.00 C ATOM 970 C ARG A 59 -2.109 -12.896 1.483 1.00 0.00 C ATOM 971 O ARG A 59 -2.464 -13.956 0.967 1.00 0.00 O ATOM 972 CB ARG A 59 0.033 -11.870 0.698 1.00 0.00 C ATOM 973 CG ARG A 59 0.702 -11.730 -0.660 1.00 0.00 C ATOM 974 CD ARG A 59 1.938 -12.611 -0.765 1.00 0.00 C ATOM 975 NE ARG A 59 2.195 -13.030 -2.140 1.00 0.00 N ATOM 976 CZ ARG A 59 2.974 -14.057 -2.462 1.00 0.00 C ATOM 977 NH1 ARG A 59 3.568 -14.766 -1.512 1.00 0.00 N ATOM 978 NH2 ARG A 59 3.159 -14.377 -3.736 1.00 0.00 N ATOM 0 H ARG A 59 -1.316 -10.022 1.764 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.818 -11.910 -0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.408 -11.090 1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.318 -12.826 1.137 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.005 -11.998 -1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.981 -10.689 -0.824 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.803 -12.069 -0.383 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.810 -13.492 -0.135 1.00 0.00 H new ATOM 0 HE ARG A 59 1.752 -12.506 -2.895 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.427 -14.523 -0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.166 -15.554 -1.762 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.703 -13.834 -4.470 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.757 -15.166 -3.982 1.00 0.00 H new ATOM 992 N VAL A 60 -2.233 -12.648 2.783 1.00 0.00 N ATOM 993 CA VAL A 60 -2.806 -13.628 3.697 1.00 0.00 C ATOM 994 C VAL A 60 -4.260 -13.923 3.346 1.00 0.00 C ATOM 995 O VAL A 60 -4.819 -14.936 3.767 1.00 0.00 O ATOM 996 CB VAL A 60 -2.731 -13.144 5.158 1.00 0.00 C ATOM 997 CG1 VAL A 60 -3.287 -14.201 6.100 1.00 0.00 C ATOM 998 CG2 VAL A 60 -1.299 -12.788 5.528 1.00 0.00 C ATOM 0 H VAL A 60 -1.944 -11.776 3.227 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.218 -14.540 3.593 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.341 -12.246 5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.226 -13.841 7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.328 -14.402 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.706 -15.118 6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.264 -12.448 6.563 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.664 -13.667 5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.941 -11.994 4.873 1.00 0.00 H new