USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=10 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+ -167:sc= 0 (180deg=-0.224) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 166:sc=-0.00444 (180deg=-0.13) USER MOD Single : A 38 SER OG : rot 180:sc= -0.147 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00902) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -76:sc= 1.16 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 180:sc= -0.594 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.0004 K(o=-0.0004,f=-1.8) USER MOD Single : A 68 GLN : amide:sc= -0.755 K(o=-0.76,f=-3.4!) USER MOD Single : A 70 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 191 N VAL A 10 7.171 -16.757 -8.599 1.00 0.00 N ATOM 192 CA VAL A 10 6.932 -15.452 -7.994 1.00 0.00 C ATOM 193 C VAL A 10 6.711 -14.384 -9.059 1.00 0.00 C ATOM 194 O VAL A 10 7.509 -14.242 -9.987 1.00 0.00 O ATOM 195 CB VAL A 10 8.108 -15.027 -7.093 1.00 0.00 C ATOM 196 CG1 VAL A 10 7.867 -13.639 -6.520 1.00 0.00 C ATOM 197 CG2 VAL A 10 8.320 -16.043 -5.981 1.00 0.00 C ATOM 0 HA VAL A 10 6.033 -15.546 -7.386 1.00 0.00 H new ATOM 0 HB VAL A 10 9.013 -14.991 -7.699 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.708 -13.356 -5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.768 -12.921 -7.334 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.952 -13.644 -5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.154 -15.728 -5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.417 -16.113 -5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.541 -17.018 -6.416 1.00 0.00 H new ATOM 207 N LYS A 11 5.623 -13.634 -8.921 1.00 0.00 N ATOM 208 CA LYS A 11 5.296 -12.577 -9.870 1.00 0.00 C ATOM 209 C LYS A 11 5.003 -11.267 -9.146 1.00 0.00 C ATOM 210 O LYS A 11 4.092 -11.193 -8.321 1.00 0.00 O ATOM 211 CB LYS A 11 4.091 -12.983 -10.721 1.00 0.00 C ATOM 212 CG LYS A 11 3.919 -12.140 -11.973 1.00 0.00 C ATOM 213 CD LYS A 11 2.700 -12.569 -12.771 1.00 0.00 C ATOM 214 CE LYS A 11 1.411 -12.084 -12.126 1.00 0.00 C ATOM 215 NZ LYS A 11 1.091 -10.682 -12.512 1.00 0.00 N ATOM 0 H LYS A 11 4.952 -13.739 -8.160 1.00 0.00 H new ATOM 0 HA LYS A 11 6.158 -12.427 -10.520 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.196 -14.029 -11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.188 -12.908 -10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.822 -11.090 -11.695 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.810 -12.224 -12.595 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.771 -12.175 -13.785 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.681 -13.656 -12.852 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.590 -12.738 -12.419 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.500 -12.151 -11.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.341 -10.314 -11.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.942 -10.092 -12.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.766 -10.659 -13.500 1.00 0.00 H new ATOM 229 N VAL A 12 5.779 -10.235 -9.461 1.00 0.00 N ATOM 230 CA VAL A 12 5.601 -8.927 -8.842 1.00 0.00 C ATOM 231 C VAL A 12 4.983 -7.936 -9.821 1.00 0.00 C ATOM 232 O VAL A 12 5.330 -7.915 -11.002 1.00 0.00 O ATOM 233 CB VAL A 12 6.939 -8.361 -8.330 1.00 0.00 C ATOM 234 CG1 VAL A 12 6.736 -6.985 -7.714 1.00 0.00 C ATOM 235 CG2 VAL A 12 7.573 -9.315 -7.329 1.00 0.00 C ATOM 0 H VAL A 12 6.537 -10.280 -10.142 1.00 0.00 H new ATOM 0 HA VAL A 12 4.927 -9.066 -7.996 1.00 0.00 H new ATOM 0 HB VAL A 12 7.617 -8.257 -9.177 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.692 -6.601 -7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.329 -6.307 -8.464 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.041 -7.060 -6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.517 -8.899 -6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.901 -9.454 -6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.756 -10.277 -7.808 1.00 0.00 H new ATOM 245 N VAL A 13 4.065 -7.114 -9.322 1.00 0.00 N ATOM 246 CA VAL A 13 3.399 -6.117 -10.152 1.00 0.00 C ATOM 247 C VAL A 13 3.503 -4.728 -9.533 1.00 0.00 C ATOM 248 O VAL A 13 3.241 -4.545 -8.345 1.00 0.00 O ATOM 249 CB VAL A 13 1.913 -6.464 -10.361 1.00 0.00 C ATOM 250 CG1 VAL A 13 1.263 -5.474 -11.316 1.00 0.00 C ATOM 251 CG2 VAL A 13 1.765 -7.888 -10.875 1.00 0.00 C ATOM 0 H VAL A 13 3.766 -7.119 -8.347 1.00 0.00 H new ATOM 0 HA VAL A 13 3.905 -6.120 -11.118 1.00 0.00 H new ATOM 0 HB VAL A 13 1.403 -6.394 -9.400 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.213 -5.735 -11.452 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.336 -4.468 -10.903 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.773 -5.509 -12.279 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.709 -8.116 -11.017 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.289 -7.988 -11.826 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.192 -8.582 -10.151 1.00 0.00 H new ATOM 261 N TYR A 14 3.888 -3.751 -10.348 1.00 0.00 N ATOM 262 CA TYR A 14 4.030 -2.378 -9.880 1.00 0.00 C ATOM 263 C TYR A 14 2.884 -1.508 -10.390 1.00 0.00 C ATOM 264 O TYR A 14 2.471 -1.620 -11.545 1.00 0.00 O ATOM 265 CB TYR A 14 5.368 -1.796 -10.337 1.00 0.00 C ATOM 266 CG TYR A 14 6.567 -2.455 -9.692 1.00 0.00 C ATOM 267 CD1 TYR A 14 6.770 -3.825 -9.796 1.00 0.00 C ATOM 268 CD2 TYR A 14 7.494 -1.707 -8.977 1.00 0.00 C ATOM 269 CE1 TYR A 14 7.863 -4.432 -9.207 1.00 0.00 C ATOM 270 CE2 TYR A 14 8.591 -2.305 -8.387 1.00 0.00 C ATOM 271 CZ TYR A 14 8.771 -3.667 -8.504 1.00 0.00 C ATOM 272 OH TYR A 14 9.861 -4.267 -7.916 1.00 0.00 O ATOM 0 H TYR A 14 4.107 -3.885 -11.335 1.00 0.00 H new ATOM 0 HA TYR A 14 3.999 -2.388 -8.790 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.447 -1.896 -11.419 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.386 -0.729 -10.113 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.062 -4.426 -10.347 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.355 -0.640 -8.881 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.006 -5.499 -9.296 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.304 -1.709 -7.837 1.00 0.00 H new ATOM 0 HH TYR A 14 10.402 -3.588 -7.461 1.00 0.00 H new ATOM 282 N LEU A 15 2.376 -0.642 -9.521 1.00 0.00 N ATOM 283 CA LEU A 15 1.278 0.249 -9.881 1.00 0.00 C ATOM 284 C LEU A 15 1.608 1.694 -9.518 1.00 0.00 C ATOM 285 O LEU A 15 2.120 1.970 -8.434 1.00 0.00 O ATOM 286 CB LEU A 15 -0.009 -0.185 -9.177 1.00 0.00 C ATOM 287 CG LEU A 15 -0.699 -1.425 -9.745 1.00 0.00 C ATOM 288 CD1 LEU A 15 -1.211 -1.155 -11.151 1.00 0.00 C ATOM 289 CD2 LEU A 15 0.252 -2.613 -9.741 1.00 0.00 C ATOM 0 H LEU A 15 2.707 -0.537 -8.562 1.00 0.00 H new ATOM 0 HA LEU A 15 1.132 0.189 -10.960 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.219 -0.370 -8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.714 0.645 -9.209 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.552 -1.665 -9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.699 -2.049 -11.538 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.926 -0.333 -11.126 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.375 -0.889 -11.798 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.256 -3.487 -10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.125 -2.383 -10.352 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.569 -2.822 -8.719 1.00 0.00 H new ATOM 301 N ARG A 16 1.308 2.611 -10.432 1.00 0.00 N ATOM 302 CA ARG A 16 1.571 4.027 -10.208 1.00 0.00 C ATOM 303 C ARG A 16 0.301 4.755 -9.780 1.00 0.00 C ATOM 304 O ARG A 16 -0.662 4.844 -10.543 1.00 0.00 O ATOM 305 CB ARG A 16 2.137 4.669 -11.477 1.00 0.00 C ATOM 306 CG ARG A 16 2.728 6.051 -11.248 1.00 0.00 C ATOM 307 CD ARG A 16 4.125 5.968 -10.652 1.00 0.00 C ATOM 308 NE ARG A 16 5.141 5.722 -11.672 1.00 0.00 N ATOM 309 CZ ARG A 16 5.496 6.618 -12.586 1.00 0.00 C ATOM 310 NH1 ARG A 16 4.921 7.813 -12.607 1.00 0.00 N ATOM 311 NH2 ARG A 16 6.429 6.321 -13.481 1.00 0.00 N ATOM 0 H ARG A 16 0.883 2.398 -11.334 1.00 0.00 H new ATOM 0 HA ARG A 16 2.305 4.112 -9.407 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.907 4.018 -11.891 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.345 4.741 -12.222 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.766 6.593 -12.193 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.080 6.619 -10.581 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.353 6.898 -10.130 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.156 5.170 -9.910 1.00 0.00 H new ATOM 0 HE ARG A 16 5.603 4.813 -11.683 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.204 8.046 -11.920 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.196 8.499 -13.310 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.875 5.404 -13.468 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.701 7.010 -14.182 1.00 0.00 H new ATOM 325 N CYS A 17 0.306 5.273 -8.557 1.00 0.00 N ATOM 326 CA CYS A 17 -0.847 5.993 -8.027 1.00 0.00 C ATOM 327 C CYS A 17 -0.441 6.885 -6.858 1.00 0.00 C ATOM 328 O CYS A 17 0.675 6.788 -6.347 1.00 0.00 O ATOM 329 CB CYS A 17 -1.928 5.007 -7.580 1.00 0.00 C ATOM 330 SG CYS A 17 -1.456 3.985 -6.166 1.00 0.00 S ATOM 0 H CYS A 17 1.095 5.208 -7.914 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.246 6.625 -8.821 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.830 5.564 -7.327 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.179 4.356 -8.417 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.435 3.186 -5.862 1.00 0.00 H new ATOM 336 N THR A 18 -1.354 7.756 -6.440 1.00 0.00 N ATOM 337 CA THR A 18 -1.090 8.668 -5.334 1.00 0.00 C ATOM 338 C THR A 18 -1.250 7.964 -3.991 1.00 0.00 C ATOM 339 O THR A 18 -2.172 7.172 -3.800 1.00 0.00 O ATOM 340 CB THR A 18 -2.029 9.888 -5.376 1.00 0.00 C ATOM 341 OG1 THR A 18 -1.808 10.635 -6.577 1.00 0.00 O ATOM 342 CG2 THR A 18 -1.806 10.784 -4.167 1.00 0.00 C ATOM 0 H THR A 18 -2.283 7.849 -6.851 1.00 0.00 H new ATOM 0 HA THR A 18 -0.060 9.007 -5.443 1.00 0.00 H new ATOM 0 HB THR A 18 -3.058 9.528 -5.357 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.410 11.408 -6.597 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.480 11.639 -4.218 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.003 10.220 -3.255 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.774 11.135 -4.160 1.00 0.00 H new ATOM 350 N GLY A 19 -0.345 8.258 -3.062 1.00 0.00 N ATOM 351 CA GLY A 19 -0.404 7.645 -1.749 1.00 0.00 C ATOM 352 C GLY A 19 -1.541 8.188 -0.906 1.00 0.00 C ATOM 353 O GLY A 19 -2.021 9.297 -1.138 1.00 0.00 O ATOM 0 H GLY A 19 0.428 8.910 -3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.521 6.567 -1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.540 7.812 -1.231 1.00 0.00 H new ATOM 357 N GLY A 20 -1.975 7.404 0.076 1.00 0.00 N ATOM 358 CA GLY A 20 -3.061 7.829 0.940 1.00 0.00 C ATOM 359 C GLY A 20 -4.177 8.511 0.175 1.00 0.00 C ATOM 360 O GLY A 20 -4.353 9.725 0.273 1.00 0.00 O ATOM 0 H GLY A 20 -1.594 6.482 0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.462 6.963 1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.674 8.511 1.697 1.00 0.00 H new ATOM 364 N GLU A 21 -4.933 7.729 -0.590 1.00 0.00 N ATOM 365 CA GLU A 21 -6.036 8.268 -1.377 1.00 0.00 C ATOM 366 C GLU A 21 -6.946 7.148 -1.875 1.00 0.00 C ATOM 367 O GLU A 21 -6.475 6.119 -2.360 1.00 0.00 O ATOM 368 CB GLU A 21 -5.501 9.071 -2.564 1.00 0.00 C ATOM 369 CG GLU A 21 -6.589 9.742 -3.385 1.00 0.00 C ATOM 370 CD GLU A 21 -6.082 10.948 -4.152 1.00 0.00 C ATOM 371 OE1 GLU A 21 -5.046 10.822 -4.838 1.00 0.00 O ATOM 372 OE2 GLU A 21 -6.721 12.017 -4.066 1.00 0.00 O ATOM 0 H GLU A 21 -4.802 6.722 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.618 8.928 -0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.813 9.833 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.926 8.408 -3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.007 9.020 -4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.399 10.051 -2.724 1.00 0.00 H new ATOM 437 N ALA A 27 -8.897 -1.899 -12.146 1.00 0.00 N ATOM 438 CA ALA A 27 -7.842 -2.435 -12.996 1.00 0.00 C ATOM 439 C ALA A 27 -7.189 -3.656 -12.357 1.00 0.00 C ATOM 440 O ALA A 27 -6.528 -4.445 -13.034 1.00 0.00 O ATOM 441 CB ALA A 27 -6.799 -1.365 -13.282 1.00 0.00 C ATOM 0 HA ALA A 27 -8.293 -2.748 -13.938 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.017 -1.780 -13.918 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.271 -0.523 -13.789 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.361 -1.024 -12.344 1.00 0.00 H new ATOM 447 N LEU A 28 -7.377 -3.806 -11.051 1.00 0.00 N ATOM 448 CA LEU A 28 -6.806 -4.931 -10.319 1.00 0.00 C ATOM 449 C LEU A 28 -7.817 -6.065 -10.188 1.00 0.00 C ATOM 450 O LEU A 28 -7.453 -7.205 -9.901 1.00 0.00 O ATOM 451 CB LEU A 28 -6.343 -4.482 -8.932 1.00 0.00 C ATOM 452 CG LEU A 28 -5.411 -3.270 -8.896 1.00 0.00 C ATOM 453 CD1 LEU A 28 -5.392 -2.653 -7.506 1.00 0.00 C ATOM 454 CD2 LEU A 28 -4.006 -3.666 -9.324 1.00 0.00 C ATOM 0 H LEU A 28 -7.921 -3.162 -10.477 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.947 -5.298 -10.880 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.225 -4.255 -8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.837 -5.319 -8.451 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.787 -2.525 -9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.724 -1.792 -7.499 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.398 -2.333 -7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.040 -3.391 -6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.356 -2.792 -9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.621 -4.429 -8.647 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.033 -4.062 -10.339 1.00 0.00 H new ATOM 466 N ALA A 29 -9.089 -5.745 -10.402 1.00 0.00 N ATOM 467 CA ALA A 29 -10.153 -6.737 -10.312 1.00 0.00 C ATOM 468 C ALA A 29 -9.865 -7.934 -11.212 1.00 0.00 C ATOM 469 O ALA A 29 -9.797 -9.078 -10.763 1.00 0.00 O ATOM 470 CB ALA A 29 -11.491 -6.111 -10.674 1.00 0.00 C ATOM 0 H ALA A 29 -9.408 -4.806 -10.639 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.198 -7.092 -9.283 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.276 -6.864 -10.602 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.708 -5.294 -9.986 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.449 -5.726 -11.693 1.00 0.00 H new ATOM 476 N PRO A 30 -9.693 -7.666 -12.516 1.00 0.00 N ATOM 477 CA PRO A 30 -9.411 -8.709 -13.507 1.00 0.00 C ATOM 478 C PRO A 30 -8.015 -9.301 -13.344 1.00 0.00 C ATOM 479 O PRO A 30 -7.744 -10.414 -13.795 1.00 0.00 O ATOM 480 CB PRO A 30 -9.525 -7.969 -14.842 1.00 0.00 C ATOM 481 CG PRO A 30 -9.234 -6.545 -14.513 1.00 0.00 C ATOM 482 CD PRO A 30 -9.761 -6.326 -13.122 1.00 0.00 C ATOM 0 HA PRO A 30 -10.091 -9.555 -13.413 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.816 -8.359 -15.572 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.520 -8.080 -15.272 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.164 -6.344 -14.561 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.717 -5.874 -15.223 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.156 -5.605 -12.572 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -10.781 -5.942 -13.135 1.00 0.00 H new ATOM 490 N LYS A 31 -7.131 -8.550 -12.696 1.00 0.00 N ATOM 491 CA LYS A 31 -5.763 -9.000 -12.471 1.00 0.00 C ATOM 492 C LYS A 31 -5.715 -10.081 -11.396 1.00 0.00 C ATOM 493 O LYS A 31 -5.072 -11.116 -11.572 1.00 0.00 O ATOM 494 CB LYS A 31 -4.876 -7.821 -12.063 1.00 0.00 C ATOM 495 CG LYS A 31 -4.720 -6.772 -13.150 1.00 0.00 C ATOM 496 CD LYS A 31 -3.600 -7.129 -14.112 1.00 0.00 C ATOM 497 CE LYS A 31 -3.220 -5.946 -14.989 1.00 0.00 C ATOM 498 NZ LYS A 31 -2.488 -4.899 -14.223 1.00 0.00 N ATOM 0 H LYS A 31 -7.338 -7.626 -12.317 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.389 -9.423 -13.404 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.297 -7.351 -11.174 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.890 -8.197 -11.788 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.656 -6.675 -13.700 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.515 -5.803 -12.695 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.728 -7.461 -13.549 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.911 -7.964 -14.740 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.599 -6.292 -15.816 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.120 -5.514 -15.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.043 -4.232 -14.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.155 -4.387 -13.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.754 -5.347 -13.638 1.00 0.00 H new ATOM 512 N ILE A 32 -6.401 -9.835 -10.285 1.00 0.00 N ATOM 513 CA ILE A 32 -6.439 -10.789 -9.184 1.00 0.00 C ATOM 514 C ILE A 32 -7.590 -11.775 -9.349 1.00 0.00 C ATOM 515 O ILE A 32 -7.720 -12.728 -8.583 1.00 0.00 O ATOM 516 CB ILE A 32 -6.580 -10.076 -7.826 1.00 0.00 C ATOM 517 CG1 ILE A 32 -5.579 -8.923 -7.724 1.00 0.00 C ATOM 518 CG2 ILE A 32 -6.376 -11.063 -6.686 1.00 0.00 C ATOM 519 CD1 ILE A 32 -5.814 -8.022 -6.531 1.00 0.00 C ATOM 0 H ILE A 32 -6.938 -8.983 -10.124 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.494 -11.331 -9.205 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.587 -9.666 -7.751 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.570 -9.332 -7.667 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.630 -8.327 -8.635 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.479 -10.544 -5.733 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.123 -11.854 -6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.380 -11.499 -6.756 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.068 -7.228 -6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.810 -7.584 -6.597 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.734 -8.605 -5.613 1.00 0.00 H new ATOM 531 N GLY A 33 -8.424 -11.539 -10.358 1.00 0.00 N ATOM 532 CA GLY A 33 -9.553 -12.415 -10.608 1.00 0.00 C ATOM 533 C GLY A 33 -9.157 -13.878 -10.633 1.00 0.00 C ATOM 534 O GLY A 33 -9.646 -14.690 -9.848 1.00 0.00 O ATOM 0 H GLY A 33 -8.337 -10.756 -11.006 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.308 -12.259 -9.837 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.011 -12.149 -11.561 1.00 0.00 H new ATOM 538 N PRO A 34 -8.250 -14.234 -11.555 1.00 0.00 N ATOM 539 CA PRO A 34 -7.769 -15.611 -11.703 1.00 0.00 C ATOM 540 C PRO A 34 -6.895 -16.048 -10.533 1.00 0.00 C ATOM 541 O PRO A 34 -6.832 -17.232 -10.199 1.00 0.00 O ATOM 542 CB PRO A 34 -6.949 -15.564 -12.995 1.00 0.00 C ATOM 543 CG PRO A 34 -6.514 -14.144 -13.116 1.00 0.00 C ATOM 544 CD PRO A 34 -7.624 -13.319 -12.525 1.00 0.00 C ATOM 0 HA PRO A 34 -8.589 -16.329 -11.729 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.093 -16.237 -12.946 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.546 -15.870 -13.854 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.577 -13.976 -12.584 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.341 -13.876 -14.158 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.243 -12.420 -12.041 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.333 -12.995 -13.287 1.00 0.00 H new ATOM 552 N LEU A 35 -6.221 -15.086 -9.912 1.00 0.00 N ATOM 553 CA LEU A 35 -5.350 -15.372 -8.777 1.00 0.00 C ATOM 554 C LEU A 35 -6.131 -16.027 -7.642 1.00 0.00 C ATOM 555 O LEU A 35 -5.719 -17.053 -7.103 1.00 0.00 O ATOM 556 CB LEU A 35 -4.689 -14.085 -8.280 1.00 0.00 C ATOM 557 CG LEU A 35 -3.346 -13.729 -8.920 1.00 0.00 C ATOM 558 CD1 LEU A 35 -3.507 -13.529 -10.419 1.00 0.00 C ATOM 559 CD2 LEU A 35 -2.761 -12.483 -8.273 1.00 0.00 C ATOM 0 H LEU A 35 -6.261 -14.101 -10.175 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.578 -16.066 -9.109 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.379 -13.258 -8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.545 -14.167 -7.203 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.656 -14.556 -8.757 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.542 -13.276 -10.858 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.882 -14.448 -10.870 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.213 -12.719 -10.604 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.806 -12.245 -8.741 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.448 -11.647 -8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.609 -12.663 -7.209 1.00 0.00 H new ATOM 571 N GLY A 36 -7.263 -15.428 -7.286 1.00 0.00 N ATOM 572 CA GLY A 36 -8.085 -15.968 -6.220 1.00 0.00 C ATOM 573 C GLY A 36 -8.426 -14.931 -5.168 1.00 0.00 C ATOM 574 O GLY A 36 -9.600 -14.672 -4.899 1.00 0.00 O ATOM 0 H GLY A 36 -7.625 -14.578 -7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.006 -16.368 -6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.563 -16.801 -5.749 1.00 0.00 H new ATOM 578 N LEU A 37 -7.400 -14.336 -4.571 1.00 0.00 N ATOM 579 CA LEU A 37 -7.596 -13.322 -3.541 1.00 0.00 C ATOM 580 C LEU A 37 -8.522 -12.215 -4.037 1.00 0.00 C ATOM 581 O LEU A 37 -8.953 -12.222 -5.190 1.00 0.00 O ATOM 582 CB LEU A 37 -6.251 -12.727 -3.120 1.00 0.00 C ATOM 583 CG LEU A 37 -5.503 -13.475 -2.016 1.00 0.00 C ATOM 584 CD1 LEU A 37 -4.980 -14.806 -2.532 1.00 0.00 C ATOM 585 CD2 LEU A 37 -4.363 -12.625 -1.474 1.00 0.00 C ATOM 0 H LEU A 37 -6.423 -14.538 -4.782 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.060 -13.800 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.607 -12.677 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.417 -11.702 -2.789 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.200 -13.674 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.451 -15.324 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.816 -15.419 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.298 -14.631 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.842 -13.173 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.666 -12.394 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.763 -11.698 -1.064 1.00 0.00 H new ATOM 597 N SER A 38 -8.821 -11.264 -3.158 1.00 0.00 N ATOM 598 CA SER A 38 -9.697 -10.151 -3.506 1.00 0.00 C ATOM 599 C SER A 38 -8.890 -8.876 -3.733 1.00 0.00 C ATOM 600 O SER A 38 -7.932 -8.581 -3.018 1.00 0.00 O ATOM 601 CB SER A 38 -10.731 -9.924 -2.402 1.00 0.00 C ATOM 602 OG SER A 38 -11.487 -8.750 -2.644 1.00 0.00 O ATOM 0 H SER A 38 -8.470 -11.242 -2.201 1.00 0.00 H new ATOM 0 HA SER A 38 -10.214 -10.403 -4.432 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.398 -10.784 -2.342 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.227 -9.844 -1.439 1.00 0.00 H new ATOM 0 HG SER A 38 -12.142 -8.629 -1.925 1.00 0.00 H new ATOM 608 N PRO A 39 -9.286 -8.100 -4.752 1.00 0.00 N ATOM 609 CA PRO A 39 -8.615 -6.843 -5.098 1.00 0.00 C ATOM 610 C PRO A 39 -8.846 -5.756 -4.053 1.00 0.00 C ATOM 611 O PRO A 39 -7.955 -4.956 -3.768 1.00 0.00 O ATOM 612 CB PRO A 39 -9.261 -6.450 -6.429 1.00 0.00 C ATOM 613 CG PRO A 39 -10.599 -7.105 -6.409 1.00 0.00 C ATOM 614 CD PRO A 39 -10.420 -8.389 -5.646 1.00 0.00 C ATOM 0 HA PRO A 39 -7.533 -6.961 -5.152 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.351 -5.368 -6.521 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.665 -6.793 -7.275 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.339 -6.465 -5.929 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.954 -7.299 -7.421 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.317 -8.651 -5.085 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.204 -9.225 -6.311 1.00 0.00 H new ATOM 622 N LYS A 40 -10.047 -5.733 -3.485 1.00 0.00 N ATOM 623 CA LYS A 40 -10.395 -4.746 -2.470 1.00 0.00 C ATOM 624 C LYS A 40 -9.513 -4.902 -1.235 1.00 0.00 C ATOM 625 O LYS A 40 -9.028 -3.917 -0.678 1.00 0.00 O ATOM 626 CB LYS A 40 -11.868 -4.884 -2.080 1.00 0.00 C ATOM 627 CG LYS A 40 -12.497 -3.583 -1.612 1.00 0.00 C ATOM 628 CD LYS A 40 -14.015 -3.649 -1.660 1.00 0.00 C ATOM 629 CE LYS A 40 -14.638 -2.273 -1.479 1.00 0.00 C ATOM 630 NZ LYS A 40 -14.801 -1.923 -0.041 1.00 0.00 N ATOM 0 H LYS A 40 -10.796 -6.387 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.229 -3.754 -2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.428 -5.262 -2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -11.957 -5.627 -1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.173 -3.367 -0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.147 -2.763 -2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.332 -4.071 -2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.376 -4.319 -0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.013 -1.525 -1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.610 -2.247 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.229 -0.978 0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.418 -2.623 0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.871 -1.923 0.424 1.00 0.00 H new ATOM 644 N LYS A 41 -9.309 -6.145 -0.813 1.00 0.00 N ATOM 645 CA LYS A 41 -8.484 -6.431 0.355 1.00 0.00 C ATOM 646 C LYS A 41 -7.045 -5.978 0.128 1.00 0.00 C ATOM 647 O LYS A 41 -6.445 -5.328 0.984 1.00 0.00 O ATOM 648 CB LYS A 41 -8.515 -7.927 0.673 1.00 0.00 C ATOM 649 CG LYS A 41 -8.059 -8.259 2.083 1.00 0.00 C ATOM 650 CD LYS A 41 -8.533 -9.637 2.513 1.00 0.00 C ATOM 651 CE LYS A 41 -7.535 -10.716 2.124 1.00 0.00 C ATOM 652 NZ LYS A 41 -6.360 -10.742 3.039 1.00 0.00 N ATOM 0 H LYS A 41 -9.704 -6.971 -1.263 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.892 -5.878 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.530 -8.299 0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.880 -8.454 -0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.971 -8.215 2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.441 -7.509 2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.683 -9.651 3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.498 -9.850 2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.028 -11.688 2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.196 -10.545 1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.530 -11.104 2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.164 -9.779 3.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.565 -11.361 3.849 1.00 0.00 H new ATOM 666 N VAL A 42 -6.496 -6.326 -1.032 1.00 0.00 N ATOM 667 CA VAL A 42 -5.128 -5.953 -1.372 1.00 0.00 C ATOM 668 C VAL A 42 -5.008 -4.451 -1.599 1.00 0.00 C ATOM 669 O VAL A 42 -4.016 -3.832 -1.216 1.00 0.00 O ATOM 670 CB VAL A 42 -4.642 -6.692 -2.634 1.00 0.00 C ATOM 671 CG1 VAL A 42 -3.253 -6.216 -3.030 1.00 0.00 C ATOM 672 CG2 VAL A 42 -4.656 -8.196 -2.408 1.00 0.00 C ATOM 0 H VAL A 42 -6.978 -6.865 -1.751 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.502 -6.241 -0.527 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.324 -6.465 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.927 -6.749 -3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.280 -5.146 -3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.555 -6.411 -2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.310 -8.703 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.997 -8.445 -1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.671 -8.520 -2.177 1.00 0.00 H new ATOM 682 N GLY A 43 -6.026 -3.869 -2.225 1.00 0.00 N ATOM 683 CA GLY A 43 -6.016 -2.442 -2.492 1.00 0.00 C ATOM 684 C GLY A 43 -6.117 -1.615 -1.226 1.00 0.00 C ATOM 685 O GLY A 43 -5.422 -0.610 -1.076 1.00 0.00 O ATOM 0 H GLY A 43 -6.858 -4.360 -2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.099 -2.181 -3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.847 -2.193 -3.152 1.00 0.00 H new ATOM 689 N ASP A 44 -6.987 -2.036 -0.314 1.00 0.00 N ATOM 690 CA ASP A 44 -7.177 -1.326 0.945 1.00 0.00 C ATOM 691 C ASP A 44 -5.912 -1.378 1.795 1.00 0.00 C ATOM 692 O ASP A 44 -5.581 -0.419 2.493 1.00 0.00 O ATOM 693 CB ASP A 44 -8.352 -1.925 1.720 1.00 0.00 C ATOM 694 CG ASP A 44 -8.636 -1.180 3.009 1.00 0.00 C ATOM 695 OD1 ASP A 44 -7.873 -1.362 3.981 1.00 0.00 O ATOM 696 OD2 ASP A 44 -9.621 -0.413 3.046 1.00 0.00 O ATOM 0 H ASP A 44 -7.571 -2.865 -0.423 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.396 -0.283 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.243 -1.911 1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.139 -2.970 1.947 1.00 0.00 H new ATOM 701 N ASP A 45 -5.209 -2.503 1.733 1.00 0.00 N ATOM 702 CA ASP A 45 -3.980 -2.681 2.497 1.00 0.00 C ATOM 703 C ASP A 45 -2.922 -1.668 2.068 1.00 0.00 C ATOM 704 O ASP A 45 -2.155 -1.170 2.892 1.00 0.00 O ATOM 705 CB ASP A 45 -3.444 -4.102 2.320 1.00 0.00 C ATOM 706 CG ASP A 45 -4.018 -5.068 3.338 1.00 0.00 C ATOM 707 OD1 ASP A 45 -4.211 -4.657 4.501 1.00 0.00 O ATOM 708 OD2 ASP A 45 -4.272 -6.235 2.972 1.00 0.00 O ATOM 0 H ASP A 45 -5.469 -3.306 1.161 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.210 -2.517 3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.680 -4.454 1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.357 -4.091 2.406 1.00 0.00 H new ATOM 713 N ILE A 46 -2.888 -1.370 0.773 1.00 0.00 N ATOM 714 CA ILE A 46 -1.925 -0.417 0.235 1.00 0.00 C ATOM 715 C ILE A 46 -2.208 0.994 0.738 1.00 0.00 C ATOM 716 O ILE A 46 -1.288 1.751 1.047 1.00 0.00 O ATOM 717 CB ILE A 46 -1.936 -0.414 -1.305 1.00 0.00 C ATOM 718 CG1 ILE A 46 -1.560 -1.796 -1.843 1.00 0.00 C ATOM 719 CG2 ILE A 46 -0.985 0.646 -1.839 1.00 0.00 C ATOM 720 CD1 ILE A 46 -1.928 -2.000 -3.296 1.00 0.00 C ATOM 0 H ILE A 46 -3.516 -1.774 0.078 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.941 -0.733 0.582 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.943 -0.175 -1.646 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.487 -1.943 -1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.055 -2.558 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.004 0.636 -2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.295 1.627 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.027 0.436 -1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.632 -3.001 -3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.005 -1.885 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.412 -1.261 -3.909 1.00 0.00 H new ATOM 732 N ALA A 47 -3.488 1.342 0.818 1.00 0.00 N ATOM 733 CA ALA A 47 -3.894 2.661 1.287 1.00 0.00 C ATOM 734 C ALA A 47 -3.389 2.920 2.703 1.00 0.00 C ATOM 735 O ALA A 47 -2.926 4.016 3.018 1.00 0.00 O ATOM 736 CB ALA A 47 -5.408 2.799 1.231 1.00 0.00 C ATOM 0 H ALA A 47 -4.262 0.728 0.564 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.448 3.406 0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.696 3.789 1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.748 2.667 0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.866 2.040 1.865 1.00 0.00 H new ATOM 742 N LYS A 48 -3.483 1.904 3.554 1.00 0.00 N ATOM 743 CA LYS A 48 -3.035 2.020 4.937 1.00 0.00 C ATOM 744 C LYS A 48 -1.518 2.162 5.008 1.00 0.00 C ATOM 745 O LYS A 48 -0.998 2.995 5.749 1.00 0.00 O ATOM 746 CB LYS A 48 -3.482 0.798 5.743 1.00 0.00 C ATOM 747 CG LYS A 48 -4.924 0.875 6.215 1.00 0.00 C ATOM 748 CD LYS A 48 -5.084 1.861 7.360 1.00 0.00 C ATOM 749 CE LYS A 48 -4.796 1.208 8.703 1.00 0.00 C ATOM 750 NZ LYS A 48 -6.002 0.539 9.264 1.00 0.00 N ATOM 0 H LYS A 48 -3.866 0.990 3.310 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.486 2.915 5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.356 -0.096 5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.830 0.686 6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.564 1.173 5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.256 -0.113 6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.409 2.704 7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.098 2.260 7.359 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.996 0.477 8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.440 1.962 9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.765 0.106 10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.757 1.241 9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.327 -0.198 8.607 1.00 0.00 H new ATOM 764 N ALA A 49 -0.815 1.343 4.232 1.00 0.00 N ATOM 765 CA ALA A 49 0.642 1.381 4.205 1.00 0.00 C ATOM 766 C ALA A 49 1.148 2.744 3.747 1.00 0.00 C ATOM 767 O ALA A 49 2.194 3.214 4.197 1.00 0.00 O ATOM 768 CB ALA A 49 1.181 0.284 3.298 1.00 0.00 C ATOM 0 H ALA A 49 -1.231 0.646 3.614 1.00 0.00 H new ATOM 0 HA ALA A 49 1.004 1.211 5.219 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.270 0.324 3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.857 -0.688 3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.802 0.430 2.286 1.00 0.00 H new ATOM 774 N THR A 50 0.399 3.377 2.849 1.00 0.00 N ATOM 775 CA THR A 50 0.773 4.686 2.329 1.00 0.00 C ATOM 776 C THR A 50 0.112 5.804 3.127 1.00 0.00 C ATOM 777 O THR A 50 0.096 6.958 2.702 1.00 0.00 O ATOM 778 CB THR A 50 0.386 4.833 0.845 1.00 0.00 C ATOM 779 OG1 THR A 50 -1.039 4.803 0.705 1.00 0.00 O ATOM 780 CG2 THR A 50 1.006 3.721 0.012 1.00 0.00 C ATOM 0 H THR A 50 -0.470 3.004 2.467 1.00 0.00 H new ATOM 0 HA THR A 50 1.856 4.766 2.424 1.00 0.00 H new ATOM 0 HB THR A 50 0.766 5.790 0.486 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.358 3.881 0.799 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.719 3.845 -1.032 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.092 3.764 0.098 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.652 2.755 0.373 1.00 0.00 H new ATOM 788 N GLY A 51 -0.433 5.454 4.288 1.00 0.00 N ATOM 789 CA GLY A 51 -1.088 6.440 5.128 1.00 0.00 C ATOM 790 C GLY A 51 -0.100 7.335 5.849 1.00 0.00 C ATOM 791 O GLY A 51 -0.421 8.470 6.201 1.00 0.00 O ATOM 0 H GLY A 51 -0.433 4.505 4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.749 7.053 4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.714 5.930 5.861 1.00 0.00 H new ATOM 795 N ASP A 52 1.106 6.823 6.073 1.00 0.00 N ATOM 796 CA ASP A 52 2.144 7.583 6.758 1.00 0.00 C ATOM 797 C ASP A 52 2.687 8.692 5.862 1.00 0.00 C ATOM 798 O ASP A 52 3.207 9.697 6.347 1.00 0.00 O ATOM 799 CB ASP A 52 3.282 6.658 7.191 1.00 0.00 C ATOM 800 CG ASP A 52 3.062 6.078 8.574 1.00 0.00 C ATOM 801 OD1 ASP A 52 2.385 5.034 8.680 1.00 0.00 O ATOM 802 OD2 ASP A 52 3.568 6.668 9.552 1.00 0.00 O ATOM 0 H ASP A 52 1.388 5.885 5.790 1.00 0.00 H new ATOM 0 HA ASP A 52 1.701 8.040 7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.380 5.846 6.471 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.221 7.211 7.177 1.00 0.00 H new ATOM 807 N TRP A 53 2.563 8.502 4.553 1.00 0.00 N ATOM 808 CA TRP A 53 3.042 9.486 3.589 1.00 0.00 C ATOM 809 C TRP A 53 1.966 9.806 2.557 1.00 0.00 C ATOM 810 O TRP A 53 2.199 9.710 1.352 1.00 0.00 O ATOM 811 CB TRP A 53 4.301 8.972 2.889 1.00 0.00 C ATOM 812 CG TRP A 53 4.346 7.479 2.766 1.00 0.00 C ATOM 813 CD1 TRP A 53 3.932 6.732 1.701 1.00 0.00 C ATOM 814 CD2 TRP A 53 4.830 6.553 3.745 1.00 0.00 C ATOM 815 NE1 TRP A 53 4.130 5.397 1.959 1.00 0.00 N ATOM 816 CE2 TRP A 53 4.680 5.261 3.206 1.00 0.00 C ATOM 817 CE3 TRP A 53 5.376 6.690 5.024 1.00 0.00 C ATOM 818 CZ2 TRP A 53 5.056 4.116 3.902 1.00 0.00 C ATOM 819 CZ3 TRP A 53 5.749 5.553 5.714 1.00 0.00 C ATOM 820 CH2 TRP A 53 5.589 4.279 5.152 1.00 0.00 C ATOM 0 H TRP A 53 2.135 7.676 4.135 1.00 0.00 H new ATOM 0 HA TRP A 53 3.283 10.401 4.130 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.360 9.413 1.894 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.178 9.310 3.440 1.00 0.00 H new ATOM 0 HD1 TRP A 53 3.511 7.131 0.790 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.904 4.631 1.324 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.504 7.667 5.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 4.932 3.134 3.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 6.171 5.647 6.704 1.00 0.00 H new ATOM 0 HH2 TRP A 53 5.892 3.409 5.716 1.00 0.00 H new ATOM 831 N LYS A 54 0.787 10.186 3.037 1.00 0.00 N ATOM 832 CA LYS A 54 -0.326 10.522 2.156 1.00 0.00 C ATOM 833 C LYS A 54 -0.065 11.835 1.426 1.00 0.00 C ATOM 834 O LYS A 54 0.504 12.769 1.991 1.00 0.00 O ATOM 835 CB LYS A 54 -1.626 10.622 2.958 1.00 0.00 C ATOM 836 CG LYS A 54 -1.618 11.734 3.993 1.00 0.00 C ATOM 837 CD LYS A 54 -2.734 11.557 5.009 1.00 0.00 C ATOM 838 CE LYS A 54 -2.598 12.540 6.162 1.00 0.00 C ATOM 839 NZ LYS A 54 -1.613 12.073 7.176 1.00 0.00 N ATOM 0 H LYS A 54 0.577 10.269 4.032 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.423 9.728 1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.456 10.783 2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.808 9.671 3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.656 11.748 4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.728 12.697 3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.698 11.698 4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.718 10.538 5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.289 13.512 5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.569 12.680 6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.549 12.770 7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.920 11.158 7.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.680 11.964 6.729 1.00 0.00 H new ATOM 853 N GLY A 55 -0.485 11.901 0.166 1.00 0.00 N ATOM 854 CA GLY A 55 -0.288 13.105 -0.620 1.00 0.00 C ATOM 855 C GLY A 55 0.960 13.040 -1.478 1.00 0.00 C ATOM 856 O GLY A 55 1.083 13.768 -2.464 1.00 0.00 O ATOM 0 H GLY A 55 -0.958 11.142 -0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.157 13.264 -1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.222 13.964 0.048 1.00 0.00 H new ATOM 860 N LEU A 56 1.889 12.168 -1.102 1.00 0.00 N ATOM 861 CA LEU A 56 3.135 12.011 -1.844 1.00 0.00 C ATOM 862 C LEU A 56 3.109 10.744 -2.693 1.00 0.00 C ATOM 863 O LEU A 56 2.432 9.773 -2.355 1.00 0.00 O ATOM 864 CB LEU A 56 4.323 11.968 -0.880 1.00 0.00 C ATOM 865 CG LEU A 56 4.410 13.112 0.130 1.00 0.00 C ATOM 866 CD1 LEU A 56 3.557 12.810 1.353 1.00 0.00 C ATOM 867 CD2 LEU A 56 5.856 13.359 0.533 1.00 0.00 C ATOM 0 H LEU A 56 1.803 11.559 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 56 3.243 12.868 -2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.285 11.027 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.241 11.958 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 56 4.026 14.017 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.631 13.635 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.518 12.684 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.910 11.894 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.899 14.177 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.267 12.456 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.440 13.621 -0.349 1.00 0.00 H new ATOM 879 N ARG A 57 3.850 10.761 -3.795 1.00 0.00 N ATOM 880 CA ARG A 57 3.912 9.614 -4.692 1.00 0.00 C ATOM 881 C ARG A 57 4.912 8.580 -4.184 1.00 0.00 C ATOM 882 O ARG A 57 5.973 8.930 -3.665 1.00 0.00 O ATOM 883 CB ARG A 57 4.299 10.062 -6.103 1.00 0.00 C ATOM 884 CG ARG A 57 5.642 10.771 -6.170 1.00 0.00 C ATOM 885 CD ARG A 57 6.777 9.791 -6.418 1.00 0.00 C ATOM 886 NE ARG A 57 7.890 10.412 -7.131 1.00 0.00 N ATOM 887 CZ ARG A 57 8.883 9.725 -7.686 1.00 0.00 C ATOM 888 NH1 ARG A 57 8.900 8.401 -7.611 1.00 0.00 N ATOM 889 NH2 ARG A 57 9.860 10.362 -8.318 1.00 0.00 N ATOM 0 H ARG A 57 4.416 11.557 -4.089 1.00 0.00 H new ATOM 0 HA ARG A 57 2.924 9.155 -4.722 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.325 9.191 -6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.527 10.728 -6.488 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.622 11.516 -6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.819 11.306 -5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.131 9.398 -5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.405 8.944 -6.994 1.00 0.00 H new ATOM 0 HE ARG A 57 7.906 11.429 -7.207 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.150 7.908 -7.127 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.663 7.876 -8.038 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.850 11.380 -8.378 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.622 9.834 -8.744 1.00 0.00 H new ATOM 903 N ILE A 58 4.567 7.306 -4.336 1.00 0.00 N ATOM 904 CA ILE A 58 5.434 6.221 -3.893 1.00 0.00 C ATOM 905 C ILE A 58 5.249 4.980 -4.759 1.00 0.00 C ATOM 906 O ILE A 58 4.209 4.802 -5.394 1.00 0.00 O ATOM 907 CB ILE A 58 5.167 5.852 -2.422 1.00 0.00 C ATOM 908 CG1 ILE A 58 3.662 5.767 -2.160 1.00 0.00 C ATOM 909 CG2 ILE A 58 5.815 6.869 -1.494 1.00 0.00 C ATOM 910 CD1 ILE A 58 3.066 4.417 -2.492 1.00 0.00 C ATOM 0 H ILE A 58 3.693 7.000 -4.763 1.00 0.00 H new ATOM 0 HA ILE A 58 6.460 6.578 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 58 5.608 4.875 -2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.471 5.991 -1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.155 6.533 -2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.617 6.594 -0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.891 6.885 -1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.401 7.858 -1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.997 4.430 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.226 4.199 -3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.546 3.648 -1.886 1.00 0.00 H new ATOM 922 N THR A 59 6.263 4.121 -4.778 1.00 0.00 N ATOM 923 CA THR A 59 6.213 2.895 -5.564 1.00 0.00 C ATOM 924 C THR A 59 5.823 1.702 -4.699 1.00 0.00 C ATOM 925 O THR A 59 6.494 1.392 -3.714 1.00 0.00 O ATOM 926 CB THR A 59 7.566 2.605 -6.240 1.00 0.00 C ATOM 927 OG1 THR A 59 7.846 3.605 -7.226 1.00 0.00 O ATOM 928 CG2 THR A 59 7.561 1.231 -6.892 1.00 0.00 C ATOM 0 H THR A 59 7.130 4.252 -4.257 1.00 0.00 H new ATOM 0 HA THR A 59 5.456 3.044 -6.334 1.00 0.00 H new ATOM 0 HB THR A 59 8.341 2.624 -5.474 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.709 3.414 -7.650 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.527 1.048 -7.363 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.377 0.469 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.776 1.189 -7.647 1.00 0.00 H new ATOM 936 N VAL A 60 4.736 1.035 -5.073 1.00 0.00 N ATOM 937 CA VAL A 60 4.258 -0.125 -4.331 1.00 0.00 C ATOM 938 C VAL A 60 4.350 -1.392 -5.175 1.00 0.00 C ATOM 939 O VAL A 60 3.929 -1.413 -6.332 1.00 0.00 O ATOM 940 CB VAL A 60 2.802 0.065 -3.867 1.00 0.00 C ATOM 941 CG1 VAL A 60 2.318 -1.162 -3.109 1.00 0.00 C ATOM 942 CG2 VAL A 60 2.676 1.315 -3.010 1.00 0.00 C ATOM 0 H VAL A 60 4.170 1.278 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 60 4.899 -0.227 -3.455 1.00 0.00 H new ATOM 0 HB VAL A 60 2.172 0.190 -4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.287 -1.009 -2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.370 -2.035 -3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.949 -1.322 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.641 1.434 -2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.318 1.222 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.979 2.186 -3.591 1.00 0.00 H new ATOM 952 N LYS A 61 4.902 -2.448 -4.588 1.00 0.00 N ATOM 953 CA LYS A 61 5.048 -3.722 -5.283 1.00 0.00 C ATOM 954 C LYS A 61 4.184 -4.798 -4.635 1.00 0.00 C ATOM 955 O LYS A 61 4.350 -5.117 -3.457 1.00 0.00 O ATOM 956 CB LYS A 61 6.514 -4.161 -5.283 1.00 0.00 C ATOM 957 CG LYS A 61 7.066 -4.436 -3.895 1.00 0.00 C ATOM 958 CD LYS A 61 8.584 -4.360 -3.874 1.00 0.00 C ATOM 959 CE LYS A 61 9.214 -5.704 -4.206 1.00 0.00 C ATOM 960 NZ LYS A 61 10.684 -5.702 -3.966 1.00 0.00 N ATOM 0 H LYS A 61 5.256 -2.447 -3.631 1.00 0.00 H new ATOM 0 HA LYS A 61 4.716 -3.586 -6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.615 -5.061 -5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.117 -3.387 -5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.655 -3.714 -3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.745 -5.424 -3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.922 -3.612 -4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.919 -4.033 -2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.748 -6.483 -3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.017 -5.950 -5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.076 -6.635 -4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.132 -4.976 -4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.872 -5.493 -2.965 1.00 0.00 H new ATOM 974 N LEU A 62 3.261 -5.356 -5.411 1.00 0.00 N ATOM 975 CA LEU A 62 2.371 -6.399 -4.913 1.00 0.00 C ATOM 976 C LEU A 62 2.938 -7.784 -5.204 1.00 0.00 C ATOM 977 O LEU A 62 3.051 -8.191 -6.361 1.00 0.00 O ATOM 978 CB LEU A 62 0.985 -6.259 -5.547 1.00 0.00 C ATOM 979 CG LEU A 62 0.212 -4.988 -5.197 1.00 0.00 C ATOM 980 CD1 LEU A 62 -0.944 -4.783 -6.163 1.00 0.00 C ATOM 981 CD2 LEU A 62 -0.294 -5.049 -3.763 1.00 0.00 C ATOM 0 H LEU A 62 3.109 -5.104 -6.388 1.00 0.00 H new ATOM 0 HA LEU A 62 2.284 -6.283 -3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.097 -6.305 -6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.384 -7.119 -5.251 1.00 0.00 H new ATOM 0 HG LEU A 62 0.889 -4.138 -5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.483 -3.873 -5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.558 -4.693 -7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.621 -5.635 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.842 -4.136 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.955 -5.908 -3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.552 -5.147 -3.083 1.00 0.00 H new ATOM 993 N THR A 63 3.293 -8.507 -4.146 1.00 0.00 N ATOM 994 CA THR A 63 3.848 -9.847 -4.287 1.00 0.00 C ATOM 995 C THR A 63 3.050 -10.861 -3.475 1.00 0.00 C ATOM 996 O THR A 63 2.809 -10.664 -2.283 1.00 0.00 O ATOM 997 CB THR A 63 5.321 -9.895 -3.840 1.00 0.00 C ATOM 998 OG1 THR A 63 6.048 -8.812 -4.432 1.00 0.00 O ATOM 999 CG2 THR A 63 5.963 -11.217 -4.233 1.00 0.00 C ATOM 0 H THR A 63 3.206 -8.186 -3.182 1.00 0.00 H new ATOM 0 HA THR A 63 3.788 -10.104 -5.345 1.00 0.00 H new ATOM 0 HB THR A 63 5.351 -9.803 -2.754 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.983 -8.848 -4.142 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.003 -11.228 -3.907 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.425 -12.038 -3.758 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.921 -11.334 -5.316 1.00 0.00 H new ATOM 1007 N ILE A 64 2.642 -11.944 -4.127 1.00 0.00 N ATOM 1008 CA ILE A 64 1.872 -12.990 -3.464 1.00 0.00 C ATOM 1009 C ILE A 64 2.721 -14.235 -3.234 1.00 0.00 C ATOM 1010 O ILE A 64 3.364 -14.738 -4.155 1.00 0.00 O ATOM 1011 CB ILE A 64 0.626 -13.376 -4.282 1.00 0.00 C ATOM 1012 CG1 ILE A 64 -0.486 -12.345 -4.075 1.00 0.00 C ATOM 1013 CG2 ILE A 64 0.146 -14.766 -3.893 1.00 0.00 C ATOM 1014 CD1 ILE A 64 -0.103 -10.947 -4.507 1.00 0.00 C ATOM 0 H ILE A 64 2.831 -12.121 -5.114 1.00 0.00 H new ATOM 0 HA ILE A 64 1.554 -12.587 -2.502 1.00 0.00 H new ATOM 0 HB ILE A 64 0.893 -13.388 -5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.369 -12.659 -4.631 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.762 -12.328 -3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.735 -15.024 -4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.936 -15.491 -4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.107 -14.780 -2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.939 -10.270 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.761 -10.613 -3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.145 -10.949 -5.568 1.00 0.00 H new ATOM 1026 N GLN A 65 2.716 -14.728 -2.000 1.00 0.00 N ATOM 1027 CA GLN A 65 3.485 -15.917 -1.649 1.00 0.00 C ATOM 1028 C GLN A 65 2.657 -16.868 -0.793 1.00 0.00 C ATOM 1029 O GLN A 65 2.343 -16.569 0.359 1.00 0.00 O ATOM 1030 CB GLN A 65 4.762 -15.522 -0.904 1.00 0.00 C ATOM 1031 CG GLN A 65 5.738 -16.673 -0.719 1.00 0.00 C ATOM 1032 CD GLN A 65 7.122 -16.204 -0.315 1.00 0.00 C ATOM 1033 OE1 GLN A 65 7.495 -16.269 0.857 1.00 0.00 O ATOM 1034 NE2 GLN A 65 7.894 -15.729 -1.286 1.00 0.00 N ATOM 0 H GLN A 65 2.188 -14.323 -1.227 1.00 0.00 H new ATOM 0 HA GLN A 65 3.755 -16.430 -2.572 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.258 -14.720 -1.450 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.494 -15.123 0.074 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.353 -17.353 0.041 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.807 -17.239 -1.648 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.545 -15.693 -2.244 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.836 -15.400 -1.074 1.00 0.00 H new ATOM 1043 N ASN A 66 2.304 -18.016 -1.364 1.00 0.00 N ATOM 1044 CA ASN A 66 1.511 -19.011 -0.653 1.00 0.00 C ATOM 1045 C ASN A 66 0.051 -18.577 -0.557 1.00 0.00 C ATOM 1046 O ASN A 66 -0.531 -18.555 0.527 1.00 0.00 O ATOM 1047 CB ASN A 66 2.079 -19.240 0.750 1.00 0.00 C ATOM 1048 CG ASN A 66 1.727 -20.609 1.300 1.00 0.00 C ATOM 1049 OD1 ASN A 66 0.850 -21.295 0.774 1.00 0.00 O ATOM 1050 ND2 ASN A 66 2.412 -21.013 2.363 1.00 0.00 N ATOM 0 H ASN A 66 2.555 -18.279 -2.317 1.00 0.00 H new ATOM 0 HA ASN A 66 1.558 -19.944 -1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 66 3.163 -19.130 0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.698 -18.472 1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.220 -21.925 2.777 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.130 -20.411 2.766 1.00 0.00 H new ATOM 1057 N ARG A 67 -0.534 -18.233 -1.700 1.00 0.00 N ATOM 1058 CA ARG A 67 -1.925 -17.799 -1.746 1.00 0.00 C ATOM 1059 C ARG A 67 -2.164 -16.638 -0.785 1.00 0.00 C ATOM 1060 O ARG A 67 -3.275 -16.447 -0.292 1.00 0.00 O ATOM 1061 CB ARG A 67 -2.856 -18.962 -1.399 1.00 0.00 C ATOM 1062 CG ARG A 67 -2.859 -20.070 -2.439 1.00 0.00 C ATOM 1063 CD ARG A 67 -3.360 -21.381 -1.854 1.00 0.00 C ATOM 1064 NE ARG A 67 -2.405 -21.962 -0.914 1.00 0.00 N ATOM 1065 CZ ARG A 67 -2.675 -23.011 -0.146 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -3.865 -23.591 -0.205 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -1.753 -23.481 0.685 1.00 0.00 N ATOM 0 H ARG A 67 -0.066 -18.247 -2.606 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.140 -17.460 -2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.559 -19.379 -0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.871 -18.582 -1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.490 -19.780 -3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.851 -20.206 -2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.310 -21.212 -1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.550 -22.089 -2.661 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.480 -21.539 -0.844 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.576 -23.232 -0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.070 -24.397 0.386 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.836 -23.036 0.734 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.961 -24.287 1.275 1.00 0.00 H new ATOM 1081 N GLN A 68 -1.113 -15.867 -0.523 1.00 0.00 N ATOM 1082 CA GLN A 68 -1.209 -14.726 0.380 1.00 0.00 C ATOM 1083 C GLN A 68 -0.553 -13.492 -0.230 1.00 0.00 C ATOM 1084 O GLN A 68 0.521 -13.579 -0.826 1.00 0.00 O ATOM 1085 CB GLN A 68 -0.555 -15.055 1.723 1.00 0.00 C ATOM 1086 CG GLN A 68 -0.936 -14.094 2.837 1.00 0.00 C ATOM 1087 CD GLN A 68 -2.426 -14.086 3.117 1.00 0.00 C ATOM 1088 OE1 GLN A 68 -3.212 -13.546 2.339 1.00 0.00 O ATOM 1089 NE2 GLN A 68 -2.823 -14.688 4.232 1.00 0.00 N ATOM 0 H GLN A 68 -0.186 -16.012 -0.923 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.265 -14.511 0.542 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.835 -16.067 2.016 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.528 -15.047 1.602 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.401 -14.367 3.746 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.615 -13.087 2.569 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.137 -15.123 4.849 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.814 -14.715 4.472 1.00 0.00 H new ATOM 1098 N ALA A 69 -1.205 -12.344 -0.077 1.00 0.00 N ATOM 1099 CA ALA A 69 -0.684 -11.092 -0.611 1.00 0.00 C ATOM 1100 C ALA A 69 0.104 -10.329 0.448 1.00 0.00 C ATOM 1101 O ALA A 69 -0.283 -10.294 1.616 1.00 0.00 O ATOM 1102 CB ALA A 69 -1.820 -10.234 -1.148 1.00 0.00 C ATOM 0 H ALA A 69 -2.095 -12.255 0.413 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.005 -11.329 -1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.416 -9.302 -1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.338 -10.771 -1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.521 -10.013 -0.343 1.00 0.00 H new ATOM 1108 N GLN A 70 1.210 -9.720 0.032 1.00 0.00 N ATOM 1109 CA GLN A 70 2.052 -8.959 0.947 1.00 0.00 C ATOM 1110 C GLN A 70 2.414 -7.602 0.353 1.00 0.00 C ATOM 1111 O GLN A 70 2.883 -7.516 -0.782 1.00 0.00 O ATOM 1112 CB GLN A 70 3.325 -9.742 1.273 1.00 0.00 C ATOM 1113 CG GLN A 70 3.190 -10.646 2.487 1.00 0.00 C ATOM 1114 CD GLN A 70 3.106 -9.869 3.787 1.00 0.00 C ATOM 1115 OE1 GLN A 70 2.033 -9.415 4.184 1.00 0.00 O ATOM 1116 NE2 GLN A 70 4.242 -9.713 4.457 1.00 0.00 N ATOM 0 H GLN A 70 1.543 -9.739 -0.932 1.00 0.00 H new ATOM 0 HA GLN A 70 1.490 -8.794 1.866 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.601 -10.347 0.409 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.140 -9.039 1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.298 -11.263 2.379 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.043 -11.323 2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.109 -10.107 4.090 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.248 -9.200 5.338 1.00 0.00 H new ATOM 1125 N ILE A 71 2.191 -6.545 1.126 1.00 0.00 N ATOM 1126 CA ILE A 71 2.495 -5.192 0.675 1.00 0.00 C ATOM 1127 C ILE A 71 3.769 -4.668 1.328 1.00 0.00 C ATOM 1128 O ILE A 71 3.938 -4.760 2.543 1.00 0.00 O ATOM 1129 CB ILE A 71 1.338 -4.223 0.984 1.00 0.00 C ATOM 1130 CG1 ILE A 71 0.957 -4.304 2.464 1.00 0.00 C ATOM 1131 CG2 ILE A 71 0.136 -4.536 0.105 1.00 0.00 C ATOM 1132 CD1 ILE A 71 -0.002 -3.219 2.901 1.00 0.00 C ATOM 0 H ILE A 71 1.801 -6.599 2.067 1.00 0.00 H new ATOM 0 HA ILE A 71 2.637 -5.244 -0.404 1.00 0.00 H new ATOM 0 HB ILE A 71 1.668 -3.207 0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.507 -5.277 2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.862 -4.242 3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.673 -3.843 0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.415 -4.433 -0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.196 -5.557 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.228 -3.338 3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.453 -2.243 2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.923 -3.293 2.323 1.00 0.00 H new ATOM 1144 N GLU A 72 4.662 -4.117 0.512 1.00 0.00 N ATOM 1145 CA GLU A 72 5.921 -3.577 1.010 1.00 0.00 C ATOM 1146 C GLU A 72 6.331 -2.336 0.223 1.00 0.00 C ATOM 1147 O GLU A 72 6.322 -2.336 -1.008 1.00 0.00 O ATOM 1148 CB GLU A 72 7.024 -4.634 0.926 1.00 0.00 C ATOM 1149 CG GLU A 72 7.404 -5.006 -0.497 1.00 0.00 C ATOM 1150 CD GLU A 72 8.351 -6.189 -0.559 1.00 0.00 C ATOM 1151 OE1 GLU A 72 9.437 -6.111 0.052 1.00 0.00 O ATOM 1152 OE2 GLU A 72 8.006 -7.192 -1.217 1.00 0.00 O ATOM 0 H GLU A 72 4.537 -4.033 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 72 5.777 -3.294 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.909 -4.265 1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.697 -5.531 1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.501 -5.239 -1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.869 -4.147 -0.981 1.00 0.00 H new ATOM 1159 N VAL A 73 6.690 -1.277 0.943 1.00 0.00 N ATOM 1160 CA VAL A 73 7.103 -0.029 0.314 1.00 0.00 C ATOM 1161 C VAL A 73 8.604 -0.020 0.044 1.00 0.00 C ATOM 1162 O VAL A 73 9.404 -0.356 0.917 1.00 0.00 O ATOM 1163 CB VAL A 73 6.743 1.187 1.188 1.00 0.00 C ATOM 1164 CG1 VAL A 73 7.303 2.465 0.582 1.00 0.00 C ATOM 1165 CG2 VAL A 73 5.235 1.287 1.365 1.00 0.00 C ATOM 0 H VAL A 73 6.703 -1.259 1.963 1.00 0.00 H new ATOM 0 HA VAL A 73 6.566 0.041 -0.632 1.00 0.00 H new ATOM 0 HB VAL A 73 7.193 1.052 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.039 3.313 1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.388 2.389 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.884 2.609 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.998 2.152 1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.761 1.399 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.864 0.382 1.847 1.00 0.00 H new ATOM 1175 N VAL A 74 8.979 0.367 -1.171 1.00 0.00 N ATOM 1176 CA VAL A 74 10.384 0.422 -1.556 1.00 0.00 C ATOM 1177 C VAL A 74 11.017 1.745 -1.139 1.00 0.00 C ATOM 1178 O VAL A 74 10.365 2.788 -1.101 1.00 0.00 O ATOM 1179 CB VAL A 74 10.557 0.239 -3.076 1.00 0.00 C ATOM 1180 CG1 VAL A 74 9.971 -1.091 -3.524 1.00 0.00 C ATOM 1181 CG2 VAL A 74 9.914 1.395 -3.828 1.00 0.00 C ATOM 0 H VAL A 74 8.329 0.647 -1.906 1.00 0.00 H new ATOM 0 HA VAL A 74 10.886 -0.396 -1.039 1.00 0.00 H new ATOM 0 HB VAL A 74 11.623 0.234 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.103 -1.202 -4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.482 -1.905 -3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.908 -1.120 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.046 1.250 -4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.850 1.434 -3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.385 2.331 -3.528 1.00 0.00 H new ATOM 1191 N PRO A 75 12.319 1.702 -0.819 1.00 0.00 N ATOM 1192 CA PRO A 75 13.070 2.889 -0.400 1.00 0.00 C ATOM 1193 C PRO A 75 13.282 3.875 -1.544 1.00 0.00 C ATOM 1194 O PRO A 75 13.138 3.522 -2.715 1.00 0.00 O ATOM 1195 CB PRO A 75 14.410 2.315 0.066 1.00 0.00 C ATOM 1196 CG PRO A 75 14.552 1.032 -0.678 1.00 0.00 C ATOM 1197 CD PRO A 75 13.158 0.493 -0.843 1.00 0.00 C ATOM 0 HA PRO A 75 12.543 3.454 0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.231 2.995 -0.158 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.417 2.151 1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.025 1.193 -1.647 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.180 0.330 -0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.047 -0.054 -1.779 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.895 -0.194 -0.039 1.00 0.00 H new