USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 499 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 11 LYS NZ :NH3+ -134:sc= -0.104 (180deg=-1.38!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0686 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -126:sc= -0.234 (180deg=-1.63!) USER MOD Single : A 50 THR OG1 : rot -71:sc= 1.32 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 20:sc= 0.222 USER MOD Single : A 65 GLN : amide:sc= -0.0522 K(o=-0.052,f=-1) USER MOD Single : A 66 ASN : amide:sc= -0.01 K(o=-0.01,f=-0.93) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 191 N VAL A 10 8.347 -17.553 -7.458 1.00 0.00 N ATOM 192 CA VAL A 10 7.704 -16.331 -6.991 1.00 0.00 C ATOM 193 C VAL A 10 8.055 -15.149 -7.888 1.00 0.00 C ATOM 194 O VAL A 10 9.202 -14.991 -8.306 1.00 0.00 O ATOM 195 CB VAL A 10 8.110 -16.001 -5.543 1.00 0.00 C ATOM 196 CG1 VAL A 10 9.618 -15.836 -5.435 1.00 0.00 C ATOM 197 CG2 VAL A 10 7.393 -14.748 -5.061 1.00 0.00 C ATOM 0 HA VAL A 10 6.629 -16.505 -7.028 1.00 0.00 H new ATOM 0 HB VAL A 10 7.813 -16.832 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.886 -15.603 -4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.108 -16.762 -5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.943 -15.025 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.692 -14.529 -4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.658 -13.908 -5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.315 -14.908 -5.099 1.00 0.00 H new ATOM 207 N LYS A 11 7.059 -14.318 -8.180 1.00 0.00 N ATOM 208 CA LYS A 11 7.262 -13.148 -9.026 1.00 0.00 C ATOM 209 C LYS A 11 6.685 -11.897 -8.370 1.00 0.00 C ATOM 210 O LYS A 11 5.674 -11.960 -7.671 1.00 0.00 O ATOM 211 CB LYS A 11 6.613 -13.365 -10.395 1.00 0.00 C ATOM 212 CG LYS A 11 6.754 -12.175 -11.329 1.00 0.00 C ATOM 213 CD LYS A 11 6.128 -12.455 -12.685 1.00 0.00 C ATOM 214 CE LYS A 11 4.630 -12.190 -12.673 1.00 0.00 C ATOM 215 NZ LYS A 11 3.859 -13.387 -12.237 1.00 0.00 N ATOM 0 H LYS A 11 6.103 -14.434 -7.843 1.00 0.00 H new ATOM 0 HA LYS A 11 8.335 -13.006 -9.158 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.060 -14.241 -10.865 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.554 -13.584 -10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.280 -11.302 -10.881 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.809 -11.934 -11.457 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.603 -11.831 -13.442 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.313 -13.492 -12.965 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.414 -11.356 -12.005 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.306 -11.892 -13.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.055 -13.535 -12.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.476 -14.224 -12.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.507 -13.240 -11.270 1.00 0.00 H new ATOM 229 N VAL A 12 7.334 -10.760 -8.602 1.00 0.00 N ATOM 230 CA VAL A 12 6.884 -9.494 -8.037 1.00 0.00 C ATOM 231 C VAL A 12 6.340 -8.571 -9.121 1.00 0.00 C ATOM 232 O VAL A 12 6.842 -8.552 -10.245 1.00 0.00 O ATOM 233 CB VAL A 12 8.024 -8.776 -7.290 1.00 0.00 C ATOM 234 CG1 VAL A 12 7.567 -7.408 -6.808 1.00 0.00 C ATOM 235 CG2 VAL A 12 8.515 -9.624 -6.127 1.00 0.00 C ATOM 0 H VAL A 12 8.173 -10.690 -9.178 1.00 0.00 H new ATOM 0 HA VAL A 12 6.088 -9.728 -7.330 1.00 0.00 H new ATOM 0 HB VAL A 12 8.855 -8.632 -7.981 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.385 -6.915 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.268 -6.802 -7.663 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.720 -7.525 -6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.320 -9.102 -5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.693 -9.801 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.884 -10.578 -6.503 1.00 0.00 H new ATOM 245 N VAL A 13 5.310 -7.804 -8.776 1.00 0.00 N ATOM 246 CA VAL A 13 4.698 -6.876 -9.719 1.00 0.00 C ATOM 247 C VAL A 13 4.760 -5.444 -9.199 1.00 0.00 C ATOM 248 O VAL A 13 4.436 -5.178 -8.041 1.00 0.00 O ATOM 249 CB VAL A 13 3.229 -7.246 -9.998 1.00 0.00 C ATOM 250 CG1 VAL A 13 2.628 -6.304 -11.029 1.00 0.00 C ATOM 251 CG2 VAL A 13 3.123 -8.692 -10.459 1.00 0.00 C ATOM 0 H VAL A 13 4.882 -7.807 -7.850 1.00 0.00 H new ATOM 0 HA VAL A 13 5.265 -6.948 -10.647 1.00 0.00 H new ATOM 0 HB VAL A 13 2.663 -7.141 -9.072 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.590 -6.581 -11.213 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.670 -5.281 -10.655 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.193 -6.374 -11.959 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.078 -8.937 -10.652 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.702 -8.826 -11.373 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.513 -9.351 -9.683 1.00 0.00 H new ATOM 261 N TYR A 14 5.177 -4.525 -10.063 1.00 0.00 N ATOM 262 CA TYR A 14 5.283 -3.119 -9.691 1.00 0.00 C ATOM 263 C TYR A 14 4.202 -2.290 -10.378 1.00 0.00 C ATOM 264 O TYR A 14 3.851 -2.540 -11.532 1.00 0.00 O ATOM 265 CB TYR A 14 6.666 -2.576 -10.055 1.00 0.00 C ATOM 266 CG TYR A 14 7.794 -3.229 -9.289 1.00 0.00 C ATOM 267 CD1 TYR A 14 8.177 -4.537 -9.559 1.00 0.00 C ATOM 268 CD2 TYR A 14 8.476 -2.538 -8.295 1.00 0.00 C ATOM 269 CE1 TYR A 14 9.207 -5.137 -8.861 1.00 0.00 C ATOM 270 CE2 TYR A 14 9.507 -3.130 -7.593 1.00 0.00 C ATOM 271 CZ TYR A 14 9.869 -4.430 -7.879 1.00 0.00 C ATOM 272 OH TYR A 14 10.896 -5.024 -7.181 1.00 0.00 O ATOM 0 H TYR A 14 5.447 -4.728 -11.025 1.00 0.00 H new ATOM 0 HA TYR A 14 5.143 -3.044 -8.613 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.833 -2.718 -11.123 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.686 -1.502 -9.869 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.661 -5.094 -10.327 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.195 -1.520 -8.068 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.493 -6.155 -9.083 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.027 -2.578 -6.824 1.00 0.00 H new ATOM 0 HH TYR A 14 11.256 -4.390 -6.526 1.00 0.00 H new ATOM 282 N LEU A 15 3.677 -1.303 -9.660 1.00 0.00 N ATOM 283 CA LEU A 15 2.635 -0.435 -10.199 1.00 0.00 C ATOM 284 C LEU A 15 2.799 0.993 -9.689 1.00 0.00 C ATOM 285 O LEU A 15 3.097 1.213 -8.515 1.00 0.00 O ATOM 286 CB LEU A 15 1.253 -0.969 -9.819 1.00 0.00 C ATOM 287 CG LEU A 15 0.997 -2.446 -10.124 1.00 0.00 C ATOM 288 CD1 LEU A 15 1.427 -3.314 -8.952 1.00 0.00 C ATOM 289 CD2 LEU A 15 -0.472 -2.676 -10.450 1.00 0.00 C ATOM 0 H LEU A 15 3.955 -1.084 -8.704 1.00 0.00 H new ATOM 0 HA LEU A 15 2.729 -0.426 -11.285 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.104 -0.808 -8.751 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.501 -0.376 -10.339 1.00 0.00 H new ATOM 0 HG LEU A 15 1.590 -2.726 -10.995 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.238 -4.362 -9.186 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.491 -3.171 -8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.861 -3.033 -8.064 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.636 -3.732 -10.664 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.084 -2.379 -9.599 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.749 -2.082 -11.321 1.00 0.00 H new ATOM 301 N ARG A 16 2.601 1.960 -10.579 1.00 0.00 N ATOM 302 CA ARG A 16 2.725 3.367 -10.219 1.00 0.00 C ATOM 303 C ARG A 16 1.352 3.999 -10.013 1.00 0.00 C ATOM 304 O ARG A 16 0.548 4.078 -10.943 1.00 0.00 O ATOM 305 CB ARG A 16 3.491 4.127 -11.304 1.00 0.00 C ATOM 306 CG ARG A 16 3.542 5.629 -11.074 1.00 0.00 C ATOM 307 CD ARG A 16 2.344 6.329 -11.697 1.00 0.00 C ATOM 308 NE ARG A 16 2.532 7.775 -11.768 1.00 0.00 N ATOM 309 CZ ARG A 16 1.847 8.566 -12.587 1.00 0.00 C ATOM 310 NH1 ARG A 16 0.935 8.052 -13.400 1.00 0.00 N ATOM 311 NH2 ARG A 16 2.075 9.873 -12.593 1.00 0.00 N ATOM 0 H ARG A 16 2.354 1.795 -11.555 1.00 0.00 H new ATOM 0 HA ARG A 16 3.278 3.429 -9.282 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.509 3.741 -11.356 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.026 3.931 -12.270 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.568 5.834 -10.004 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.462 6.032 -11.498 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.175 5.936 -12.699 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.451 6.108 -11.113 1.00 0.00 H new ATOM 0 HE ARG A 16 3.227 8.201 -11.155 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.758 7.047 -13.398 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.410 8.661 -14.028 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.776 10.271 -11.969 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.549 10.480 -13.222 1.00 0.00 H new ATOM 325 N CYS A 17 1.090 4.447 -8.790 1.00 0.00 N ATOM 326 CA CYS A 17 -0.187 5.070 -8.462 1.00 0.00 C ATOM 327 C CYS A 17 -0.051 5.979 -7.245 1.00 0.00 C ATOM 328 O CYS A 17 0.968 5.961 -6.553 1.00 0.00 O ATOM 329 CB CYS A 17 -1.248 4.001 -8.199 1.00 0.00 C ATOM 330 SG CYS A 17 -2.949 4.588 -8.382 1.00 0.00 S ATOM 0 H CYS A 17 1.745 4.390 -8.010 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.497 5.676 -9.313 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.087 3.168 -8.884 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.115 3.614 -7.189 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.773 3.612 -8.142 1.00 0.00 H new ATOM 336 N THR A 18 -1.084 6.776 -6.989 1.00 0.00 N ATOM 337 CA THR A 18 -1.079 7.695 -5.857 1.00 0.00 C ATOM 338 C THR A 18 -1.287 6.950 -4.544 1.00 0.00 C ATOM 339 O THR A 18 -2.044 5.982 -4.481 1.00 0.00 O ATOM 340 CB THR A 18 -2.171 8.771 -6.003 1.00 0.00 C ATOM 341 OG1 THR A 18 -1.985 9.496 -7.224 1.00 0.00 O ATOM 342 CG2 THR A 18 -2.141 9.735 -4.826 1.00 0.00 C ATOM 0 H THR A 18 -1.935 6.804 -7.551 1.00 0.00 H new ATOM 0 HA THR A 18 -0.102 8.179 -5.846 1.00 0.00 H new ATOM 0 HB THR A 18 -3.140 8.273 -6.021 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.684 10.177 -7.310 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.921 10.486 -4.951 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.312 9.185 -3.901 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.169 10.226 -4.782 1.00 0.00 H new ATOM 350 N GLY A 19 -0.610 7.409 -3.495 1.00 0.00 N ATOM 351 CA GLY A 19 -0.736 6.774 -2.196 1.00 0.00 C ATOM 352 C GLY A 19 -2.065 7.071 -1.531 1.00 0.00 C ATOM 353 O GLY A 19 -2.606 8.167 -1.671 1.00 0.00 O ATOM 0 H GLY A 19 0.023 8.209 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.623 5.696 -2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.074 7.113 -1.550 1.00 0.00 H new ATOM 357 N GLY A 20 -2.596 6.090 -0.807 1.00 0.00 N ATOM 358 CA GLY A 20 -3.867 6.271 -0.131 1.00 0.00 C ATOM 359 C GLY A 20 -4.931 6.848 -1.043 1.00 0.00 C ATOM 360 O GLY A 20 -5.493 7.905 -0.759 1.00 0.00 O ATOM 0 H GLY A 20 -2.168 5.173 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.208 5.312 0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.729 6.932 0.725 1.00 0.00 H new ATOM 364 N GLU A 21 -5.208 6.154 -2.142 1.00 0.00 N ATOM 365 CA GLU A 21 -6.210 6.606 -3.099 1.00 0.00 C ATOM 366 C GLU A 21 -7.512 5.828 -2.933 1.00 0.00 C ATOM 367 O GLU A 21 -7.784 4.884 -3.675 1.00 0.00 O ATOM 368 CB GLU A 21 -5.689 6.450 -4.530 1.00 0.00 C ATOM 369 CG GLU A 21 -6.663 6.939 -5.589 1.00 0.00 C ATOM 370 CD GLU A 21 -6.069 6.911 -6.984 1.00 0.00 C ATOM 371 OE1 GLU A 21 -6.061 5.827 -7.604 1.00 0.00 O ATOM 372 OE2 GLU A 21 -5.613 7.974 -7.455 1.00 0.00 O ATOM 0 H GLU A 21 -4.752 5.276 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.409 7.660 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.752 6.999 -4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.464 5.399 -4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.559 6.319 -5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.973 7.956 -5.350 1.00 0.00 H new ATOM 437 N ALA A 27 -13.600 -0.593 -9.388 1.00 0.00 N ATOM 438 CA ALA A 27 -12.899 -0.940 -10.618 1.00 0.00 C ATOM 439 C ALA A 27 -11.991 -2.147 -10.410 1.00 0.00 C ATOM 440 O ALA A 27 -11.632 -2.838 -11.365 1.00 0.00 O ATOM 441 CB ALA A 27 -12.092 0.250 -11.118 1.00 0.00 C ATOM 0 HA ALA A 27 -13.643 -1.203 -11.370 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.573 -0.022 -12.037 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.762 1.087 -11.314 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.362 0.538 -10.361 1.00 0.00 H new ATOM 447 N LEU A 28 -11.622 -2.396 -9.159 1.00 0.00 N ATOM 448 CA LEU A 28 -10.754 -3.520 -8.826 1.00 0.00 C ATOM 449 C LEU A 28 -11.559 -4.809 -8.696 1.00 0.00 C ATOM 450 O LEU A 28 -10.995 -5.898 -8.598 1.00 0.00 O ATOM 451 CB LEU A 28 -10.002 -3.241 -7.523 1.00 0.00 C ATOM 452 CG LEU A 28 -9.109 -2.000 -7.516 1.00 0.00 C ATOM 453 CD1 LEU A 28 -8.789 -1.581 -6.090 1.00 0.00 C ATOM 454 CD2 LEU A 28 -7.829 -2.260 -8.297 1.00 0.00 C ATOM 0 H LEU A 28 -11.910 -1.835 -8.358 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.033 -3.643 -9.635 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.732 -3.143 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.385 -4.109 -7.290 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.648 -1.185 -8.000 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.153 -0.696 -6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.715 -1.353 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.270 -2.393 -5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.205 -1.366 -8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.287 -3.089 -7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.077 -2.512 -9.328 1.00 0.00 H new ATOM 466 N ALA A 29 -12.882 -4.677 -8.697 1.00 0.00 N ATOM 467 CA ALA A 29 -13.764 -5.832 -8.584 1.00 0.00 C ATOM 468 C ALA A 29 -13.463 -6.862 -9.667 1.00 0.00 C ATOM 469 O ALA A 29 -13.161 -8.022 -9.386 1.00 0.00 O ATOM 470 CB ALA A 29 -15.219 -5.393 -8.661 1.00 0.00 C ATOM 0 H ALA A 29 -13.366 -3.782 -8.775 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.587 -6.300 -7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.867 -6.265 -8.575 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.434 -4.700 -7.847 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.400 -4.899 -9.616 1.00 0.00 H new ATOM 476 N PRO A 30 -13.546 -6.432 -10.934 1.00 0.00 N ATOM 477 CA PRO A 30 -13.286 -7.302 -12.085 1.00 0.00 C ATOM 478 C PRO A 30 -11.812 -7.677 -12.206 1.00 0.00 C ATOM 479 O PRO A 30 -11.465 -8.677 -12.835 1.00 0.00 O ATOM 480 CB PRO A 30 -13.720 -6.450 -13.280 1.00 0.00 C ATOM 481 CG PRO A 30 -13.583 -5.042 -12.812 1.00 0.00 C ATOM 482 CD PRO A 30 -13.901 -5.062 -11.342 1.00 0.00 C ATOM 0 HA PRO A 30 -13.816 -8.251 -12.006 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.092 -6.641 -14.151 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.746 -6.672 -13.572 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.574 -4.669 -12.988 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.265 -4.384 -13.350 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.322 -4.317 -10.796 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.953 -4.847 -11.156 1.00 0.00 H new ATOM 490 N LYS A 31 -10.949 -6.869 -11.599 1.00 0.00 N ATOM 491 CA LYS A 31 -9.513 -7.117 -11.637 1.00 0.00 C ATOM 492 C LYS A 31 -9.143 -8.312 -10.765 1.00 0.00 C ATOM 493 O LYS A 31 -8.385 -9.187 -11.184 1.00 0.00 O ATOM 494 CB LYS A 31 -8.748 -5.876 -11.171 1.00 0.00 C ATOM 495 CG LYS A 31 -8.705 -4.764 -12.204 1.00 0.00 C ATOM 496 CD LYS A 31 -7.464 -3.902 -12.045 1.00 0.00 C ATOM 497 CE LYS A 31 -7.556 -2.632 -12.877 1.00 0.00 C ATOM 498 NZ LYS A 31 -7.486 -2.919 -14.337 1.00 0.00 N ATOM 0 H LYS A 31 -11.219 -6.037 -11.075 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.236 -7.342 -12.667 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.210 -5.496 -10.260 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.728 -6.163 -10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.724 -5.195 -13.205 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.595 -4.143 -12.108 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.333 -3.641 -10.995 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.584 -4.471 -12.344 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.490 -2.118 -12.652 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.746 -1.957 -12.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.552 -2.028 -14.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.583 -3.387 -14.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.274 -3.542 -14.606 1.00 0.00 H new ATOM 512 N ILE A 32 -9.685 -8.344 -9.552 1.00 0.00 N ATOM 513 CA ILE A 32 -9.414 -9.433 -8.623 1.00 0.00 C ATOM 514 C ILE A 32 -10.568 -10.429 -8.592 1.00 0.00 C ATOM 515 O ILE A 32 -10.533 -11.413 -7.854 1.00 0.00 O ATOM 516 CB ILE A 32 -9.165 -8.908 -7.197 1.00 0.00 C ATOM 517 CG1 ILE A 32 -8.189 -7.730 -7.226 1.00 0.00 C ATOM 518 CG2 ILE A 32 -8.633 -10.022 -6.307 1.00 0.00 C ATOM 519 CD1 ILE A 32 -8.152 -6.943 -5.935 1.00 0.00 C ATOM 0 H ILE A 32 -10.315 -7.628 -9.190 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.514 -9.934 -8.979 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.112 -8.560 -6.784 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.188 -8.103 -7.443 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.464 -7.061 -8.042 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.462 -9.635 -5.302 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.360 -10.833 -6.265 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.695 -10.397 -6.716 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.439 -6.124 -6.028 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.143 -6.539 -5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.848 -7.598 -5.118 1.00 0.00 H new ATOM 531 N GLY A 33 -11.591 -10.168 -9.400 1.00 0.00 N ATOM 532 CA GLY A 33 -12.741 -11.051 -9.452 1.00 0.00 C ATOM 533 C GLY A 33 -12.351 -12.499 -9.674 1.00 0.00 C ATOM 534 O GLY A 33 -12.622 -13.371 -8.848 1.00 0.00 O ATOM 0 H GLY A 33 -11.644 -9.360 -10.020 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.302 -10.968 -8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.406 -10.730 -10.254 1.00 0.00 H new ATOM 538 N PRO A 34 -11.699 -12.772 -10.814 1.00 0.00 N ATOM 539 CA PRO A 34 -11.258 -14.124 -11.169 1.00 0.00 C ATOM 540 C PRO A 34 -10.116 -14.612 -10.285 1.00 0.00 C ATOM 541 O PRO A 34 -9.940 -15.816 -10.088 1.00 0.00 O ATOM 542 CB PRO A 34 -10.786 -13.974 -12.617 1.00 0.00 C ATOM 543 CG PRO A 34 -10.408 -12.539 -12.746 1.00 0.00 C ATOM 544 CD PRO A 34 -11.342 -11.782 -11.844 1.00 0.00 C ATOM 0 HA PRO A 34 -12.052 -14.859 -11.039 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -9.939 -14.627 -12.827 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -11.575 -14.240 -13.320 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.370 -12.381 -12.454 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -10.503 -12.202 -13.778 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.859 -10.906 -11.410 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -12.221 -11.427 -12.382 1.00 0.00 H new ATOM 552 N LEU A 35 -9.342 -13.673 -9.753 1.00 0.00 N ATOM 553 CA LEU A 35 -8.216 -14.007 -8.888 1.00 0.00 C ATOM 554 C LEU A 35 -8.689 -14.750 -7.642 1.00 0.00 C ATOM 555 O LEU A 35 -8.229 -15.854 -7.353 1.00 0.00 O ATOM 556 CB LEU A 35 -7.463 -12.739 -8.484 1.00 0.00 C ATOM 557 CG LEU A 35 -6.378 -12.266 -9.453 1.00 0.00 C ATOM 558 CD1 LEU A 35 -6.990 -11.862 -10.785 1.00 0.00 C ATOM 559 CD2 LEU A 35 -5.593 -11.109 -8.851 1.00 0.00 C ATOM 0 H LEU A 35 -9.474 -12.673 -9.906 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.543 -14.659 -9.445 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.187 -11.934 -8.360 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.004 -12.908 -7.510 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.690 -13.093 -9.629 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.203 -11.528 -11.461 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.506 -12.717 -11.223 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.701 -11.051 -10.628 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.825 -10.785 -9.554 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.269 -10.279 -8.644 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.122 -11.433 -7.923 1.00 0.00 H new ATOM 571 N GLY A 36 -9.612 -14.136 -6.908 1.00 0.00 N ATOM 572 CA GLY A 36 -10.133 -14.754 -5.702 1.00 0.00 C ATOM 573 C GLY A 36 -10.217 -13.782 -4.542 1.00 0.00 C ATOM 574 O GLY A 36 -11.294 -13.557 -3.988 1.00 0.00 O ATOM 0 H GLY A 36 -10.008 -13.222 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.124 -15.160 -5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.496 -15.593 -5.423 1.00 0.00 H new ATOM 578 N LEU A 37 -9.079 -13.206 -4.172 1.00 0.00 N ATOM 579 CA LEU A 37 -9.027 -12.254 -3.068 1.00 0.00 C ATOM 580 C LEU A 37 -10.045 -11.135 -3.266 1.00 0.00 C ATOM 581 O LEU A 37 -10.749 -11.094 -4.274 1.00 0.00 O ATOM 582 CB LEU A 37 -7.621 -11.664 -2.942 1.00 0.00 C ATOM 583 CG LEU A 37 -6.526 -12.632 -2.493 1.00 0.00 C ATOM 584 CD1 LEU A 37 -6.202 -13.622 -3.601 1.00 0.00 C ATOM 585 CD2 LEU A 37 -5.277 -11.868 -2.077 1.00 0.00 C ATOM 0 H LEU A 37 -8.180 -13.381 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.274 -12.787 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.336 -11.247 -3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.658 -10.835 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.892 -13.189 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.421 -14.303 -3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.096 -14.192 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.856 -13.082 -4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.508 -12.573 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.909 -11.285 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.518 -11.199 -1.251 1.00 0.00 H new ATOM 597 N SER A 38 -10.114 -10.226 -2.298 1.00 0.00 N ATOM 598 CA SER A 38 -11.046 -9.107 -2.366 1.00 0.00 C ATOM 599 C SER A 38 -10.301 -7.792 -2.579 1.00 0.00 C ATOM 600 O SER A 38 -9.201 -7.582 -2.067 1.00 0.00 O ATOM 601 CB SER A 38 -11.879 -9.032 -1.085 1.00 0.00 C ATOM 602 OG SER A 38 -13.053 -9.818 -1.193 1.00 0.00 O ATOM 0 H SER A 38 -9.536 -10.243 -1.458 1.00 0.00 H new ATOM 0 HA SER A 38 -11.710 -9.270 -3.215 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.283 -9.377 -0.240 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.149 -7.995 -0.883 1.00 0.00 H new ATOM 0 HG SER A 38 -13.567 -9.754 -0.361 1.00 0.00 H new ATOM 608 N PRO A 39 -10.914 -6.885 -3.354 1.00 0.00 N ATOM 609 CA PRO A 39 -10.329 -5.575 -3.654 1.00 0.00 C ATOM 610 C PRO A 39 -10.302 -4.660 -2.435 1.00 0.00 C ATOM 611 O PRO A 39 -9.426 -3.804 -2.306 1.00 0.00 O ATOM 612 CB PRO A 39 -11.260 -5.008 -4.729 1.00 0.00 C ATOM 613 CG PRO A 39 -12.563 -5.692 -4.500 1.00 0.00 C ATOM 614 CD PRO A 39 -12.226 -7.069 -3.998 1.00 0.00 C ATOM 0 HA PRO A 39 -9.289 -5.656 -3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.359 -3.926 -4.637 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.878 -5.209 -5.730 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.166 -5.149 -3.773 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.144 -5.744 -5.421 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.973 -7.433 -3.292 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.176 -7.793 -4.812 1.00 0.00 H new ATOM 622 N LYS A 40 -11.268 -4.844 -1.541 1.00 0.00 N ATOM 623 CA LYS A 40 -11.355 -4.036 -0.330 1.00 0.00 C ATOM 624 C LYS A 40 -10.196 -4.343 0.613 1.00 0.00 C ATOM 625 O LYS A 40 -9.497 -3.437 1.069 1.00 0.00 O ATOM 626 CB LYS A 40 -12.686 -4.289 0.381 1.00 0.00 C ATOM 627 CG LYS A 40 -13.894 -3.789 -0.392 1.00 0.00 C ATOM 628 CD LYS A 40 -15.190 -4.333 0.186 1.00 0.00 C ATOM 629 CE LYS A 40 -15.512 -5.712 -0.369 1.00 0.00 C ATOM 630 NZ LYS A 40 -16.193 -5.633 -1.691 1.00 0.00 N ATOM 0 H LYS A 40 -12.002 -5.546 -1.633 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.297 -2.986 -0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.796 -5.359 0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.664 -3.805 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.915 -2.699 -0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.807 -4.087 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.111 -4.386 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -16.007 -3.648 -0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.592 -6.287 -0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.148 -6.248 0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.395 -6.593 -2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.084 -5.106 -1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.576 -5.145 -2.371 1.00 0.00 H new ATOM 644 N LYS A 41 -9.996 -5.624 0.901 1.00 0.00 N ATOM 645 CA LYS A 41 -8.920 -6.051 1.787 1.00 0.00 C ATOM 646 C LYS A 41 -7.562 -5.626 1.238 1.00 0.00 C ATOM 647 O LYS A 41 -6.729 -5.085 1.965 1.00 0.00 O ATOM 648 CB LYS A 41 -8.955 -7.570 1.971 1.00 0.00 C ATOM 649 CG LYS A 41 -10.184 -8.064 2.714 1.00 0.00 C ATOM 650 CD LYS A 41 -10.076 -7.802 4.207 1.00 0.00 C ATOM 651 CE LYS A 41 -10.873 -8.817 5.011 1.00 0.00 C ATOM 652 NZ LYS A 41 -10.501 -8.800 6.453 1.00 0.00 N ATOM 0 H LYS A 41 -10.566 -6.386 0.533 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.068 -5.571 2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.916 -8.047 0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.063 -7.883 2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.072 -7.569 2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.311 -9.132 2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.029 -7.839 4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.437 -6.797 4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.937 -8.606 4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.705 -9.814 4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.067 -9.506 6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.491 -9.026 6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.685 -7.856 6.848 1.00 0.00 H new ATOM 666 N VAL A 42 -7.346 -5.874 -0.050 1.00 0.00 N ATOM 667 CA VAL A 42 -6.090 -5.515 -0.698 1.00 0.00 C ATOM 668 C VAL A 42 -5.941 -4.001 -0.808 1.00 0.00 C ATOM 669 O VAL A 42 -4.877 -3.450 -0.532 1.00 0.00 O ATOM 670 CB VAL A 42 -5.986 -6.134 -2.104 1.00 0.00 C ATOM 671 CG1 VAL A 42 -4.791 -5.562 -2.852 1.00 0.00 C ATOM 672 CG2 VAL A 42 -5.893 -7.649 -2.013 1.00 0.00 C ATOM 0 H VAL A 42 -8.025 -6.322 -0.665 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.288 -5.912 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.888 -5.881 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.733 -6.011 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.905 -4.482 -2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.877 -5.782 -2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.820 -8.070 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.009 -7.925 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.783 -8.039 -1.520 1.00 0.00 H new ATOM 682 N GLY A 43 -7.018 -3.335 -1.213 1.00 0.00 N ATOM 683 CA GLY A 43 -6.987 -1.890 -1.353 1.00 0.00 C ATOM 684 C GLY A 43 -6.735 -1.186 -0.034 1.00 0.00 C ATOM 685 O GLY A 43 -5.960 -0.231 0.028 1.00 0.00 O ATOM 0 H GLY A 43 -7.911 -3.769 -1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.208 -1.613 -2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.935 -1.548 -1.769 1.00 0.00 H new ATOM 689 N ASP A 44 -7.391 -1.656 1.021 1.00 0.00 N ATOM 690 CA ASP A 44 -7.234 -1.064 2.344 1.00 0.00 C ATOM 691 C ASP A 44 -5.814 -1.265 2.865 1.00 0.00 C ATOM 692 O ASP A 44 -5.274 -0.413 3.570 1.00 0.00 O ATOM 693 CB ASP A 44 -8.240 -1.674 3.322 1.00 0.00 C ATOM 694 CG ASP A 44 -8.115 -1.095 4.717 1.00 0.00 C ATOM 695 OD1 ASP A 44 -8.679 -0.009 4.962 1.00 0.00 O ATOM 696 OD2 ASP A 44 -7.451 -1.729 5.565 1.00 0.00 O ATOM 0 H ASP A 44 -8.036 -2.445 0.986 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.423 0.006 2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.251 -1.505 2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.092 -2.753 3.365 1.00 0.00 H new ATOM 701 N ASP A 45 -5.216 -2.398 2.513 1.00 0.00 N ATOM 702 CA ASP A 45 -3.859 -2.712 2.945 1.00 0.00 C ATOM 703 C ASP A 45 -2.881 -1.632 2.493 1.00 0.00 C ATOM 704 O ASP A 45 -2.055 -1.162 3.276 1.00 0.00 O ATOM 705 CB ASP A 45 -3.427 -4.072 2.393 1.00 0.00 C ATOM 706 CG ASP A 45 -3.790 -5.215 3.320 1.00 0.00 C ATOM 707 OD1 ASP A 45 -4.973 -5.311 3.707 1.00 0.00 O ATOM 708 OD2 ASP A 45 -2.891 -6.013 3.658 1.00 0.00 O ATOM 0 H ASP A 45 -5.649 -3.114 1.930 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.851 -2.751 4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.896 -4.232 1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.349 -4.069 2.230 1.00 0.00 H new ATOM 713 N ILE A 46 -2.981 -1.244 1.227 1.00 0.00 N ATOM 714 CA ILE A 46 -2.105 -0.219 0.671 1.00 0.00 C ATOM 715 C ILE A 46 -2.429 1.154 1.251 1.00 0.00 C ATOM 716 O ILE A 46 -1.531 1.925 1.586 1.00 0.00 O ATOM 717 CB ILE A 46 -2.217 -0.155 -0.863 1.00 0.00 C ATOM 718 CG1 ILE A 46 -1.539 -1.372 -1.497 1.00 0.00 C ATOM 719 CG2 ILE A 46 -1.599 1.134 -1.386 1.00 0.00 C ATOM 720 CD1 ILE A 46 -2.395 -2.619 -1.476 1.00 0.00 C ATOM 0 H ILE A 46 -3.659 -1.623 0.566 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.086 -0.494 0.941 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.272 -0.167 -1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.279 -1.137 -2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.606 -1.573 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.686 1.165 -2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.121 1.989 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.547 1.173 -1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.851 -3.441 -1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.634 -2.879 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.318 -2.436 -2.027 1.00 0.00 H new ATOM 732 N ALA A 47 -3.719 1.451 1.368 1.00 0.00 N ATOM 733 CA ALA A 47 -4.162 2.729 1.911 1.00 0.00 C ATOM 734 C ALA A 47 -3.612 2.950 3.316 1.00 0.00 C ATOM 735 O ALA A 47 -3.081 4.017 3.625 1.00 0.00 O ATOM 736 CB ALA A 47 -5.682 2.800 1.921 1.00 0.00 C ATOM 0 H ALA A 47 -4.475 0.824 1.094 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.776 3.521 1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.999 3.760 2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.058 2.697 0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.080 1.994 2.538 1.00 0.00 H new ATOM 742 N LYS A 48 -3.742 1.935 4.163 1.00 0.00 N ATOM 743 CA LYS A 48 -3.257 2.016 5.535 1.00 0.00 C ATOM 744 C LYS A 48 -1.743 2.206 5.567 1.00 0.00 C ATOM 745 O LYS A 48 -1.231 3.070 6.278 1.00 0.00 O ATOM 746 CB LYS A 48 -3.640 0.753 6.309 1.00 0.00 C ATOM 747 CG LYS A 48 -5.067 0.767 6.829 1.00 0.00 C ATOM 748 CD LYS A 48 -5.353 -0.441 7.705 1.00 0.00 C ATOM 749 CE LYS A 48 -4.900 -0.210 9.138 1.00 0.00 C ATOM 750 NZ LYS A 48 -3.477 -0.600 9.340 1.00 0.00 N ATOM 0 H LYS A 48 -4.180 1.046 3.923 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.724 2.880 6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.507 -0.114 5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.957 0.631 7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.238 1.680 7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.761 0.781 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.421 -0.658 7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.845 -1.315 7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.028 0.842 9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.533 -0.783 9.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.410 -1.271 10.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.114 -1.048 8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.912 0.246 9.555 1.00 0.00 H new ATOM 764 N ALA A 49 -1.033 1.393 4.792 1.00 0.00 N ATOM 765 CA ALA A 49 0.421 1.473 4.729 1.00 0.00 C ATOM 766 C ALA A 49 0.874 2.850 4.256 1.00 0.00 C ATOM 767 O ALA A 49 1.818 3.426 4.799 1.00 0.00 O ATOM 768 CB ALA A 49 0.970 0.390 3.813 1.00 0.00 C ATOM 0 H ALA A 49 -1.442 0.671 4.199 1.00 0.00 H new ATOM 0 HA ALA A 49 0.813 1.316 5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.057 0.462 3.775 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.684 -0.590 4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.563 0.521 2.810 1.00 0.00 H new ATOM 774 N THR A 50 0.196 3.374 3.239 1.00 0.00 N ATOM 775 CA THR A 50 0.531 4.683 2.691 1.00 0.00 C ATOM 776 C THR A 50 -0.188 5.795 3.447 1.00 0.00 C ATOM 777 O THR A 50 -0.399 6.884 2.914 1.00 0.00 O ATOM 778 CB THR A 50 0.168 4.775 1.197 1.00 0.00 C ATOM 779 OG1 THR A 50 -1.238 4.570 1.020 1.00 0.00 O ATOM 780 CG2 THR A 50 0.942 3.745 0.388 1.00 0.00 C ATOM 0 H THR A 50 -0.588 2.912 2.778 1.00 0.00 H new ATOM 0 HA THR A 50 1.608 4.808 2.804 1.00 0.00 H new ATOM 0 HB THR A 50 0.436 5.770 0.841 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.455 3.629 1.185 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.669 3.829 -0.664 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.011 3.923 0.501 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.701 2.744 0.747 1.00 0.00 H new ATOM 788 N GLY A 51 -0.560 5.514 4.692 1.00 0.00 N ATOM 789 CA GLY A 51 -1.251 6.502 5.500 1.00 0.00 C ATOM 790 C GLY A 51 -0.329 7.605 5.979 1.00 0.00 C ATOM 791 O GLY A 51 -0.739 8.761 6.091 1.00 0.00 O ATOM 0 H GLY A 51 -0.395 4.620 5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.064 6.938 4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.703 6.011 6.362 1.00 0.00 H new ATOM 795 N ASP A 52 0.919 7.250 6.265 1.00 0.00 N ATOM 796 CA ASP A 52 1.902 8.219 6.735 1.00 0.00 C ATOM 797 C ASP A 52 2.300 9.176 5.616 1.00 0.00 C ATOM 798 O ASP A 52 2.649 10.329 5.868 1.00 0.00 O ATOM 799 CB ASP A 52 3.140 7.501 7.275 1.00 0.00 C ATOM 800 CG ASP A 52 3.900 8.337 8.285 1.00 0.00 C ATOM 801 OD1 ASP A 52 3.842 9.581 8.189 1.00 0.00 O ATOM 802 OD2 ASP A 52 4.553 7.748 9.172 1.00 0.00 O ATOM 0 H ASP A 52 1.274 6.298 6.179 1.00 0.00 H new ATOM 0 HA ASP A 52 1.449 8.799 7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.838 6.562 7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.801 7.249 6.446 1.00 0.00 H new ATOM 807 N TRP A 53 2.248 8.689 4.382 1.00 0.00 N ATOM 808 CA TRP A 53 2.605 9.501 3.224 1.00 0.00 C ATOM 809 C TRP A 53 1.463 9.540 2.214 1.00 0.00 C ATOM 810 O TRP A 53 1.681 9.402 1.010 1.00 0.00 O ATOM 811 CB TRP A 53 3.870 8.953 2.562 1.00 0.00 C ATOM 812 CG TRP A 53 3.951 7.457 2.583 1.00 0.00 C ATOM 813 CD1 TRP A 53 3.396 6.593 1.682 1.00 0.00 C ATOM 814 CD2 TRP A 53 4.626 6.649 3.553 1.00 0.00 C ATOM 815 NE1 TRP A 53 3.684 5.297 2.035 1.00 0.00 N ATOM 816 CE2 TRP A 53 4.439 5.304 3.178 1.00 0.00 C ATOM 817 CE3 TRP A 53 5.372 6.930 4.701 1.00 0.00 C ATOM 818 CZ2 TRP A 53 4.969 4.246 3.911 1.00 0.00 C ATOM 819 CZ3 TRP A 53 5.897 5.879 5.428 1.00 0.00 C ATOM 820 CH2 TRP A 53 5.695 4.551 5.031 1.00 0.00 C ATOM 0 H TRP A 53 1.962 7.736 4.157 1.00 0.00 H new ATOM 0 HA TRP A 53 2.795 10.518 3.568 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.909 9.297 1.529 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.744 9.364 3.068 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.816 6.886 0.819 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.384 4.464 1.528 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.535 7.951 5.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 4.813 3.221 3.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 6.473 6.085 6.318 1.00 0.00 H new ATOM 0 HH2 TRP A 53 6.120 3.752 5.620 1.00 0.00 H new ATOM 831 N LYS A 54 0.245 9.729 2.711 1.00 0.00 N ATOM 832 CA LYS A 54 -0.931 9.788 1.851 1.00 0.00 C ATOM 833 C LYS A 54 -0.922 11.055 1.002 1.00 0.00 C ATOM 834 O LYS A 54 -0.794 12.163 1.523 1.00 0.00 O ATOM 835 CB LYS A 54 -2.207 9.737 2.695 1.00 0.00 C ATOM 836 CG LYS A 54 -3.464 10.090 1.919 1.00 0.00 C ATOM 837 CD LYS A 54 -4.716 9.853 2.747 1.00 0.00 C ATOM 838 CE LYS A 54 -5.053 8.373 2.836 1.00 0.00 C ATOM 839 NZ LYS A 54 -5.826 8.053 4.068 1.00 0.00 N ATOM 0 H LYS A 54 0.047 9.844 3.705 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.907 8.925 1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.317 8.736 3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.104 10.423 3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.422 11.135 1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.510 9.492 1.009 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.572 10.255 3.750 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.554 10.392 2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.629 8.078 1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.132 7.790 2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.036 7.035 4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.266 8.310 4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.717 8.590 4.068 1.00 0.00 H new ATOM 853 N GLY A 55 -1.060 10.885 -0.309 1.00 0.00 N ATOM 854 CA GLY A 55 -1.065 12.023 -1.209 1.00 0.00 C ATOM 855 C GLY A 55 0.226 12.150 -1.992 1.00 0.00 C ATOM 856 O GLY A 55 0.298 12.897 -2.969 1.00 0.00 O ATOM 0 H GLY A 55 -1.169 9.979 -0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.900 11.929 -1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.229 12.935 -0.635 1.00 0.00 H new ATOM 860 N LEU A 56 1.250 11.421 -1.564 1.00 0.00 N ATOM 861 CA LEU A 56 2.547 11.456 -2.231 1.00 0.00 C ATOM 862 C LEU A 56 2.685 10.297 -3.213 1.00 0.00 C ATOM 863 O LEU A 56 2.089 9.236 -3.025 1.00 0.00 O ATOM 864 CB LEU A 56 3.675 11.402 -1.199 1.00 0.00 C ATOM 865 CG LEU A 56 3.802 12.618 -0.281 1.00 0.00 C ATOM 866 CD1 LEU A 56 2.742 12.578 0.809 1.00 0.00 C ATOM 867 CD2 LEU A 56 5.195 12.682 0.330 1.00 0.00 C ATOM 0 H LEU A 56 1.208 10.798 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 56 2.617 12.390 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.531 10.517 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.619 11.271 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 56 3.646 13.517 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.848 13.451 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.752 12.581 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.865 11.673 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.267 13.554 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.379 11.779 0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.937 12.759 -0.464 1.00 0.00 H new ATOM 879 N ARG A 57 3.477 10.506 -4.259 1.00 0.00 N ATOM 880 CA ARG A 57 3.695 9.479 -5.270 1.00 0.00 C ATOM 881 C ARG A 57 4.814 8.531 -4.850 1.00 0.00 C ATOM 882 O ARG A 57 5.954 8.950 -4.648 1.00 0.00 O ATOM 883 CB ARG A 57 4.036 10.122 -6.616 1.00 0.00 C ATOM 884 CG ARG A 57 4.112 9.128 -7.764 1.00 0.00 C ATOM 885 CD ARG A 57 2.753 8.925 -8.415 1.00 0.00 C ATOM 886 NE ARG A 57 2.344 10.086 -9.202 1.00 0.00 N ATOM 887 CZ ARG A 57 1.132 10.228 -9.728 1.00 0.00 C ATOM 888 NH1 ARG A 57 0.216 9.286 -9.552 1.00 0.00 N ATOM 889 NH2 ARG A 57 0.836 11.313 -10.431 1.00 0.00 N ATOM 0 H ARG A 57 3.979 11.378 -4.429 1.00 0.00 H new ATOM 0 HA ARG A 57 2.774 8.905 -5.372 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.285 10.877 -6.849 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.992 10.639 -6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.824 9.484 -8.509 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.487 8.173 -7.396 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.787 8.045 -9.058 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.008 8.729 -7.644 1.00 0.00 H new ATOM 0 HE ARG A 57 3.026 10.828 -9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.441 8.450 -9.012 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.714 9.397 -9.957 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.539 12.039 -10.568 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.095 11.421 -10.834 1.00 0.00 H new ATOM 903 N ILE A 58 4.480 7.251 -4.718 1.00 0.00 N ATOM 904 CA ILE A 58 5.456 6.244 -4.322 1.00 0.00 C ATOM 905 C ILE A 58 5.234 4.937 -5.075 1.00 0.00 C ATOM 906 O ILE A 58 4.148 4.684 -5.597 1.00 0.00 O ATOM 907 CB ILE A 58 5.398 5.968 -2.808 1.00 0.00 C ATOM 908 CG1 ILE A 58 3.945 5.821 -2.350 1.00 0.00 C ATOM 909 CG2 ILE A 58 6.091 7.083 -2.039 1.00 0.00 C ATOM 910 CD1 ILE A 58 3.409 4.413 -2.482 1.00 0.00 C ATOM 0 H ILE A 58 3.541 6.888 -4.880 1.00 0.00 H new ATOM 0 HA ILE A 58 6.439 6.642 -4.573 1.00 0.00 H new ATOM 0 HB ILE A 58 5.920 5.033 -2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.867 6.134 -1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.319 6.496 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.041 6.873 -0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.134 7.145 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.594 8.031 -2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.375 4.384 -2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.454 4.103 -3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.011 3.736 -1.876 1.00 0.00 H new ATOM 922 N THR A 59 6.271 4.106 -5.126 1.00 0.00 N ATOM 923 CA THR A 59 6.189 2.824 -5.814 1.00 0.00 C ATOM 924 C THR A 59 5.982 1.682 -4.825 1.00 0.00 C ATOM 925 O THR A 59 6.690 1.578 -3.823 1.00 0.00 O ATOM 926 CB THR A 59 7.459 2.548 -6.640 1.00 0.00 C ATOM 927 OG1 THR A 59 7.644 3.581 -7.614 1.00 0.00 O ATOM 928 CG2 THR A 59 7.370 1.198 -7.336 1.00 0.00 C ATOM 0 H THR A 59 7.177 4.298 -4.699 1.00 0.00 H new ATOM 0 HA THR A 59 5.332 2.880 -6.486 1.00 0.00 H new ATOM 0 HB THR A 59 8.311 2.533 -5.960 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.455 3.399 -8.134 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.278 1.026 -7.913 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.259 0.411 -6.590 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.509 1.189 -8.004 1.00 0.00 H new ATOM 936 N VAL A 60 5.007 0.825 -5.114 1.00 0.00 N ATOM 937 CA VAL A 60 4.708 -0.311 -4.251 1.00 0.00 C ATOM 938 C VAL A 60 4.901 -1.630 -4.992 1.00 0.00 C ATOM 939 O VAL A 60 4.472 -1.781 -6.136 1.00 0.00 O ATOM 940 CB VAL A 60 3.266 -0.243 -3.713 1.00 0.00 C ATOM 941 CG1 VAL A 60 2.875 -1.563 -3.065 1.00 0.00 C ATOM 942 CG2 VAL A 60 3.118 0.908 -2.730 1.00 0.00 C ATOM 0 H VAL A 60 4.411 0.896 -5.939 1.00 0.00 H new ATOM 0 HA VAL A 60 5.403 -0.263 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 60 2.592 -0.064 -4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.853 -1.496 -2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.940 -2.363 -3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.551 -1.776 -2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.093 0.941 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.801 0.762 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.353 1.847 -3.231 1.00 0.00 H new ATOM 952 N LYS A 61 5.549 -2.584 -4.332 1.00 0.00 N ATOM 953 CA LYS A 61 5.798 -3.892 -4.925 1.00 0.00 C ATOM 954 C LYS A 61 4.843 -4.938 -4.358 1.00 0.00 C ATOM 955 O LYS A 61 4.863 -5.228 -3.162 1.00 0.00 O ATOM 956 CB LYS A 61 7.246 -4.320 -4.677 1.00 0.00 C ATOM 957 CG LYS A 61 7.681 -4.183 -3.228 1.00 0.00 C ATOM 958 CD LYS A 61 9.045 -4.809 -2.994 1.00 0.00 C ATOM 959 CE LYS A 61 8.944 -6.317 -2.819 1.00 0.00 C ATOM 960 NZ LYS A 61 10.278 -6.974 -2.886 1.00 0.00 N ATOM 0 H LYS A 61 5.912 -2.475 -3.385 1.00 0.00 H new ATOM 0 HA LYS A 61 5.627 -3.814 -5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.368 -5.358 -4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.906 -3.720 -5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.712 -3.128 -2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.945 -4.659 -2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.700 -4.582 -3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.501 -4.369 -2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.477 -6.541 -1.860 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.297 -6.730 -3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.166 -8.001 -2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.713 -6.782 -3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.888 -6.599 -2.132 1.00 0.00 H new ATOM 974 N LEU A 62 4.008 -5.501 -5.225 1.00 0.00 N ATOM 975 CA LEU A 62 3.046 -6.517 -4.811 1.00 0.00 C ATOM 976 C LEU A 62 3.469 -7.899 -5.299 1.00 0.00 C ATOM 977 O LEU A 62 3.557 -8.144 -6.503 1.00 0.00 O ATOM 978 CB LEU A 62 1.654 -6.178 -5.346 1.00 0.00 C ATOM 979 CG LEU A 62 0.992 -4.933 -4.754 1.00 0.00 C ATOM 980 CD1 LEU A 62 -0.226 -4.536 -5.573 1.00 0.00 C ATOM 981 CD2 LEU A 62 0.606 -5.174 -3.302 1.00 0.00 C ATOM 0 H LEU A 62 3.978 -5.271 -6.218 1.00 0.00 H new ATOM 0 HA LEU A 62 3.016 -6.531 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.723 -6.049 -6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.000 -7.032 -5.168 1.00 0.00 H new ATOM 0 HG LEU A 62 1.709 -4.113 -4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.684 -3.648 -5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.079 -4.321 -6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.947 -5.354 -5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.136 -4.278 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.094 -6.008 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.499 -5.409 -2.722 1.00 0.00 H new ATOM 993 N THR A 63 3.728 -8.800 -4.357 1.00 0.00 N ATOM 994 CA THR A 63 4.139 -10.158 -4.691 1.00 0.00 C ATOM 995 C THR A 63 3.044 -11.163 -4.356 1.00 0.00 C ATOM 996 O THR A 63 2.521 -11.177 -3.241 1.00 0.00 O ATOM 997 CB THR A 63 5.428 -10.553 -3.945 1.00 0.00 C ATOM 998 OG1 THR A 63 6.121 -11.575 -4.672 1.00 0.00 O ATOM 999 CG2 THR A 63 5.111 -11.048 -2.542 1.00 0.00 C ATOM 0 H THR A 63 3.660 -8.614 -3.356 1.00 0.00 H new ATOM 0 HA THR A 63 4.328 -10.176 -5.764 1.00 0.00 H new ATOM 0 HB THR A 63 6.062 -9.670 -3.867 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.815 -11.579 -5.603 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.036 -11.321 -2.035 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.610 -10.258 -1.982 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.459 -11.920 -2.602 1.00 0.00 H new ATOM 1007 N ILE A 64 2.700 -12.002 -5.327 1.00 0.00 N ATOM 1008 CA ILE A 64 1.667 -13.012 -5.134 1.00 0.00 C ATOM 1009 C ILE A 64 2.279 -14.398 -4.956 1.00 0.00 C ATOM 1010 O ILE A 64 2.990 -14.889 -5.832 1.00 0.00 O ATOM 1011 CB ILE A 64 0.684 -13.046 -6.318 1.00 0.00 C ATOM 1012 CG1 ILE A 64 -0.008 -11.690 -6.474 1.00 0.00 C ATOM 1013 CG2 ILE A 64 -0.343 -14.151 -6.123 1.00 0.00 C ATOM 1014 CD1 ILE A 64 -0.987 -11.380 -5.363 1.00 0.00 C ATOM 0 H ILE A 64 3.122 -12.002 -6.256 1.00 0.00 H new ATOM 0 HA ILE A 64 1.124 -12.738 -4.229 1.00 0.00 H new ATOM 0 HB ILE A 64 1.244 -13.254 -7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.749 -10.907 -6.509 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.535 -11.667 -7.428 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.031 -14.162 -6.969 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.166 -15.113 -6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.901 -13.971 -5.204 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.440 -10.404 -5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.766 -12.142 -5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.462 -11.370 -4.408 1.00 0.00 H new ATOM 1026 N GLN A 65 1.996 -15.022 -3.817 1.00 0.00 N ATOM 1027 CA GLN A 65 2.518 -16.352 -3.526 1.00 0.00 C ATOM 1028 C GLN A 65 1.521 -17.159 -2.701 1.00 0.00 C ATOM 1029 O GLN A 65 1.041 -16.700 -1.666 1.00 0.00 O ATOM 1030 CB GLN A 65 3.849 -16.248 -2.779 1.00 0.00 C ATOM 1031 CG GLN A 65 4.467 -17.596 -2.446 1.00 0.00 C ATOM 1032 CD GLN A 65 5.443 -17.521 -1.289 1.00 0.00 C ATOM 1033 OE1 GLN A 65 5.224 -16.789 -0.324 1.00 0.00 O ATOM 1034 NE2 GLN A 65 6.528 -18.281 -1.380 1.00 0.00 N ATOM 0 H GLN A 65 1.409 -14.628 -3.082 1.00 0.00 H new ATOM 0 HA GLN A 65 2.680 -16.867 -4.473 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.552 -15.675 -3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.695 -15.690 -1.855 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.675 -18.304 -2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.981 -17.983 -3.326 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.669 -18.873 -2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.221 -18.273 -0.631 1.00 0.00 H new ATOM 1043 N ASN A 66 1.214 -18.365 -3.168 1.00 0.00 N ATOM 1044 CA ASN A 66 0.273 -19.237 -2.474 1.00 0.00 C ATOM 1045 C ASN A 66 -0.994 -18.476 -2.094 1.00 0.00 C ATOM 1046 O ASN A 66 -1.449 -18.538 -0.951 1.00 0.00 O ATOM 1047 CB ASN A 66 0.921 -19.827 -1.220 1.00 0.00 C ATOM 1048 CG ASN A 66 0.277 -21.133 -0.796 1.00 0.00 C ATOM 1049 OD1 ASN A 66 -0.939 -21.298 -0.895 1.00 0.00 O ATOM 1050 ND2 ASN A 66 1.091 -22.067 -0.320 1.00 0.00 N ATOM 0 H ASN A 66 1.603 -18.761 -4.024 1.00 0.00 H new ATOM 0 HA ASN A 66 0.001 -20.048 -3.150 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.982 -19.992 -1.406 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.849 -19.108 -0.404 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.715 -22.966 -0.018 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.093 -21.886 -0.256 1.00 0.00 H new ATOM 1057 N ARG A 67 -1.560 -17.760 -3.060 1.00 0.00 N ATOM 1058 CA ARG A 67 -2.774 -16.987 -2.827 1.00 0.00 C ATOM 1059 C ARG A 67 -2.552 -15.941 -1.738 1.00 0.00 C ATOM 1060 O ARG A 67 -3.474 -15.595 -1.000 1.00 0.00 O ATOM 1061 CB ARG A 67 -3.926 -17.913 -2.432 1.00 0.00 C ATOM 1062 CG ARG A 67 -4.459 -18.747 -3.585 1.00 0.00 C ATOM 1063 CD ARG A 67 -5.832 -19.319 -3.271 1.00 0.00 C ATOM 1064 NE ARG A 67 -6.873 -18.296 -3.309 1.00 0.00 N ATOM 1065 CZ ARG A 67 -8.173 -18.570 -3.322 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -8.589 -19.829 -3.298 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -9.060 -17.584 -3.357 1.00 0.00 N ATOM 0 H ARG A 67 -1.197 -17.699 -4.011 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.031 -16.473 -3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.589 -18.579 -1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.739 -17.313 -2.022 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.516 -18.133 -4.484 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.765 -19.560 -3.799 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.070 -20.105 -3.988 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.815 -19.782 -2.284 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.587 -17.317 -3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.910 -20.590 -3.269 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.588 -20.036 -3.308 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.744 -16.614 -3.374 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.058 -17.796 -3.367 1.00 0.00 H new ATOM 1081 N GLN A 68 -1.323 -15.443 -1.644 1.00 0.00 N ATOM 1082 CA GLN A 68 -0.980 -14.438 -0.645 1.00 0.00 C ATOM 1083 C GLN A 68 -0.355 -13.211 -1.299 1.00 0.00 C ATOM 1084 O GLN A 68 0.459 -13.330 -2.214 1.00 0.00 O ATOM 1085 CB GLN A 68 -0.019 -15.025 0.390 1.00 0.00 C ATOM 1086 CG GLN A 68 0.074 -14.205 1.667 1.00 0.00 C ATOM 1087 CD GLN A 68 1.397 -14.390 2.384 1.00 0.00 C ATOM 1088 OE1 GLN A 68 1.964 -15.483 2.392 1.00 0.00 O ATOM 1089 NE2 GLN A 68 1.896 -13.320 2.991 1.00 0.00 N ATOM 0 H GLN A 68 -0.549 -15.719 -2.248 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.898 -14.131 -0.145 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.340 -16.036 0.640 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.974 -15.106 -0.053 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.061 -13.150 1.428 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.740 -14.487 2.335 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.392 -12.434 2.959 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.783 -13.384 3.490 1.00 0.00 H new ATOM 1098 N ALA A 69 -0.741 -12.031 -0.824 1.00 0.00 N ATOM 1099 CA ALA A 69 -0.216 -10.782 -1.362 1.00 0.00 C ATOM 1100 C ALA A 69 0.626 -10.049 -0.324 1.00 0.00 C ATOM 1101 O ALA A 69 0.283 -10.017 0.857 1.00 0.00 O ATOM 1102 CB ALA A 69 -1.355 -9.895 -1.842 1.00 0.00 C ATOM 0 H ALA A 69 -1.415 -11.914 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 69 0.426 -11.021 -2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.949 -8.966 -2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.914 -10.411 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.019 -9.672 -1.007 1.00 0.00 H new ATOM 1108 N GLN A 70 1.730 -9.461 -0.773 1.00 0.00 N ATOM 1109 CA GLN A 70 2.622 -8.729 0.118 1.00 0.00 C ATOM 1110 C GLN A 70 2.715 -7.262 -0.289 1.00 0.00 C ATOM 1111 O GLN A 70 2.753 -6.939 -1.476 1.00 0.00 O ATOM 1112 CB GLN A 70 4.015 -9.361 0.113 1.00 0.00 C ATOM 1113 CG GLN A 70 4.764 -9.197 1.425 1.00 0.00 C ATOM 1114 CD GLN A 70 4.492 -10.327 2.398 1.00 0.00 C ATOM 1115 OE1 GLN A 70 3.659 -10.202 3.296 1.00 0.00 O ATOM 1116 NE2 GLN A 70 5.195 -11.440 2.224 1.00 0.00 N ATOM 0 H GLN A 70 2.028 -9.477 -1.748 1.00 0.00 H new ATOM 0 HA GLN A 70 2.211 -8.782 1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.922 -10.424 -0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.603 -8.916 -0.689 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.834 -9.146 1.224 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.480 -8.250 1.885 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.875 -11.500 1.466 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.055 -12.235 2.848 1.00 0.00 H new ATOM 1125 N ILE A 71 2.752 -6.379 0.703 1.00 0.00 N ATOM 1126 CA ILE A 71 2.841 -4.947 0.448 1.00 0.00 C ATOM 1127 C ILE A 71 4.088 -4.350 1.091 1.00 0.00 C ATOM 1128 O ILE A 71 4.358 -4.575 2.270 1.00 0.00 O ATOM 1129 CB ILE A 71 1.600 -4.202 0.974 1.00 0.00 C ATOM 1130 CG1 ILE A 71 1.381 -4.516 2.456 1.00 0.00 C ATOM 1131 CG2 ILE A 71 0.371 -4.579 0.160 1.00 0.00 C ATOM 1132 CD1 ILE A 71 0.283 -3.692 3.092 1.00 0.00 C ATOM 0 H ILE A 71 2.722 -6.630 1.691 1.00 0.00 H new ATOM 0 HA ILE A 71 2.898 -4.823 -0.633 1.00 0.00 H new ATOM 0 HB ILE A 71 1.766 -3.130 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.139 -5.573 2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.312 -4.345 2.997 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.498 -4.044 0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.530 -4.311 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.199 -5.653 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.183 -3.967 4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.532 -2.634 3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.659 -3.881 2.576 1.00 0.00 H new ATOM 1144 N GLU A 72 4.844 -3.588 0.307 1.00 0.00 N ATOM 1145 CA GLU A 72 6.063 -2.958 0.801 1.00 0.00 C ATOM 1146 C GLU A 72 6.369 -1.681 0.024 1.00 0.00 C ATOM 1147 O GLU A 72 6.242 -1.640 -1.200 1.00 0.00 O ATOM 1148 CB GLU A 72 7.243 -3.927 0.696 1.00 0.00 C ATOM 1149 CG GLU A 72 8.583 -3.292 1.030 1.00 0.00 C ATOM 1150 CD GLU A 72 8.929 -3.399 2.502 1.00 0.00 C ATOM 1151 OE1 GLU A 72 8.504 -4.384 3.142 1.00 0.00 O ATOM 1152 OE2 GLU A 72 9.624 -2.498 3.015 1.00 0.00 O ATOM 0 H GLU A 72 4.634 -3.392 -0.672 1.00 0.00 H new ATOM 0 HA GLU A 72 5.908 -2.697 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.072 -4.769 1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.283 -4.329 -0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.365 -3.772 0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.565 -2.241 0.740 1.00 0.00 H new ATOM 1159 N VAL A 73 6.773 -0.639 0.744 1.00 0.00 N ATOM 1160 CA VAL A 73 7.098 0.640 0.124 1.00 0.00 C ATOM 1161 C VAL A 73 8.605 0.808 -0.031 1.00 0.00 C ATOM 1162 O VAL A 73 9.360 0.660 0.930 1.00 0.00 O ATOM 1163 CB VAL A 73 6.543 1.819 0.944 1.00 0.00 C ATOM 1164 CG1 VAL A 73 7.093 3.138 0.424 1.00 0.00 C ATOM 1165 CG2 VAL A 73 5.022 1.818 0.915 1.00 0.00 C ATOM 0 H VAL A 73 6.883 -0.656 1.758 1.00 0.00 H new ATOM 0 HA VAL A 73 6.632 0.641 -0.861 1.00 0.00 H new ATOM 0 HB VAL A 73 6.865 1.702 1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.689 3.959 1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.180 3.135 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.804 3.267 -0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.646 2.658 1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.678 1.910 -0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.651 0.885 1.340 1.00 0.00 H new ATOM 1175 N VAL A 74 9.038 1.119 -1.249 1.00 0.00 N ATOM 1176 CA VAL A 74 10.456 1.310 -1.531 1.00 0.00 C ATOM 1177 C VAL A 74 10.891 2.737 -1.219 1.00 0.00 C ATOM 1178 O VAL A 74 10.146 3.697 -1.417 1.00 0.00 O ATOM 1179 CB VAL A 74 10.783 0.995 -3.003 1.00 0.00 C ATOM 1180 CG1 VAL A 74 10.434 -0.449 -3.330 1.00 0.00 C ATOM 1181 CG2 VAL A 74 10.049 1.953 -3.928 1.00 0.00 C ATOM 0 H VAL A 74 8.427 1.244 -2.056 1.00 0.00 H new ATOM 0 HA VAL A 74 11.002 0.619 -0.889 1.00 0.00 H new ATOM 0 HB VAL A 74 11.854 1.128 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.672 -0.653 -4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 74 11.010 -1.117 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.370 -0.613 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.292 1.716 -4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.974 1.855 -3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.354 2.976 -3.709 1.00 0.00 H new ATOM 1191 N PRO A 75 12.128 2.884 -0.721 1.00 0.00 N ATOM 1192 CA PRO A 75 12.691 4.191 -0.372 1.00 0.00 C ATOM 1193 C PRO A 75 12.981 5.044 -1.603 1.00 0.00 C ATOM 1194 O PRO A 75 12.759 6.255 -1.596 1.00 0.00 O ATOM 1195 CB PRO A 75 13.993 3.835 0.350 1.00 0.00 C ATOM 1196 CG PRO A 75 14.367 2.494 -0.182 1.00 0.00 C ATOM 1197 CD PRO A 75 13.071 1.784 -0.460 1.00 0.00 C ATOM 0 HA PRO A 75 12.002 4.784 0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 75 14.771 4.572 0.149 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.852 3.807 1.430 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.964 2.586 -1.089 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.968 1.941 0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.155 1.115 -1.317 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.755 1.177 0.389 1.00 0.00 H new