USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 511 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 THR OG1 : rot -44:sc= 1.31 USER MOD Set 1.2: A 56 ASN : amide:sc= 1.03 K(o=2.3,f=-2) USER MOD Single : A 25 THR OG1 : rot 50:sc= 0.449 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= -0.375 (180deg=-0.403) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 38 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.197) USER MOD Single : A 41 GLN : amide:sc= -1.87! K(o=-1.9!,f=-1) USER MOD Single : A 53 THR OG1 : rot 33:sc= 0.768 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.205 K(o=-0.2,f=-2.3!) USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= 0.107 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 189 N ALA A 13 1.018 3.917 15.064 1.00 0.00 N ATOM 190 CA ALA A 13 1.939 4.027 13.896 1.00 0.00 C ATOM 191 C ALA A 13 3.359 3.625 14.304 1.00 0.00 C ATOM 192 O ALA A 13 3.726 3.696 15.460 1.00 0.00 O ATOM 193 CB ALA A 13 1.893 5.501 13.492 1.00 0.00 C ATOM 0 HA ALA A 13 1.647 3.371 13.076 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.547 5.664 12.636 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.872 5.774 13.226 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.227 6.118 14.326 1.00 0.00 H new ATOM 199 N GLY A 14 4.160 3.203 13.365 1.00 0.00 N ATOM 200 CA GLY A 14 5.554 2.798 13.701 1.00 0.00 C ATOM 201 C GLY A 14 6.461 3.031 12.493 1.00 0.00 C ATOM 202 O GLY A 14 6.027 3.499 11.459 1.00 0.00 O ATOM 0 H GLY A 14 3.910 3.121 12.380 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.914 3.372 14.555 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.579 1.747 13.990 1.00 0.00 H new ATOM 206 N GLU A 15 7.720 2.711 12.614 1.00 0.00 N ATOM 207 CA GLU A 15 8.657 2.916 11.471 1.00 0.00 C ATOM 208 C GLU A 15 8.176 2.134 10.245 1.00 0.00 C ATOM 209 O GLU A 15 7.687 1.027 10.355 1.00 0.00 O ATOM 210 CB GLU A 15 10.002 2.376 11.959 1.00 0.00 C ATOM 211 CG GLU A 15 11.107 2.808 10.993 1.00 0.00 C ATOM 212 CD GLU A 15 12.311 3.316 11.787 1.00 0.00 C ATOM 213 OE1 GLU A 15 12.194 4.369 12.392 1.00 0.00 O ATOM 214 OE2 GLU A 15 13.330 2.645 11.777 1.00 0.00 O ATOM 0 H GLU A 15 8.141 2.316 13.455 1.00 0.00 H new ATOM 0 HA GLU A 15 8.722 3.963 11.173 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.214 2.750 12.961 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.967 1.289 12.025 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.402 1.969 10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.739 3.591 10.330 1.00 0.00 H new ATOM 221 N GLY A 16 8.314 2.701 9.077 1.00 0.00 N ATOM 222 CA GLY A 16 7.868 1.990 7.846 1.00 0.00 C ATOM 223 C GLY A 16 6.390 2.287 7.586 1.00 0.00 C ATOM 224 O GLY A 16 6.008 2.685 6.503 1.00 0.00 O ATOM 0 H GLY A 16 8.716 3.626 8.923 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.468 2.308 6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.019 0.916 7.960 1.00 0.00 H new ATOM 228 N GLU A 17 5.554 2.099 8.570 1.00 0.00 N ATOM 229 CA GLU A 17 4.100 2.371 8.376 1.00 0.00 C ATOM 230 C GLU A 17 3.859 3.872 8.194 1.00 0.00 C ATOM 231 O GLU A 17 4.362 4.687 8.942 1.00 0.00 O ATOM 232 CB GLU A 17 3.430 1.872 9.657 1.00 0.00 C ATOM 233 CG GLU A 17 3.546 0.348 9.734 1.00 0.00 C ATOM 234 CD GLU A 17 3.794 -0.072 11.184 1.00 0.00 C ATOM 235 OE1 GLU A 17 4.741 0.427 11.771 1.00 0.00 O ATOM 236 OE2 GLU A 17 3.033 -0.884 11.683 1.00 0.00 O ATOM 0 H GLU A 17 5.814 1.769 9.500 1.00 0.00 H new ATOM 0 HA GLU A 17 3.704 1.878 7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.902 2.328 10.528 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.381 2.169 9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.633 -0.116 9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.362 0.002 9.099 1.00 0.00 H new ATOM 243 N ILE A 18 3.090 4.243 7.205 1.00 0.00 N ATOM 244 CA ILE A 18 2.815 5.690 6.978 1.00 0.00 C ATOM 245 C ILE A 18 1.390 6.032 7.441 1.00 0.00 C ATOM 246 O ILE A 18 0.434 5.472 6.943 1.00 0.00 O ATOM 247 CB ILE A 18 2.944 5.886 5.467 1.00 0.00 C ATOM 248 CG1 ILE A 18 4.374 5.555 5.031 1.00 0.00 C ATOM 249 CG2 ILE A 18 2.629 7.340 5.113 1.00 0.00 C ATOM 250 CD1 ILE A 18 4.350 4.936 3.633 1.00 0.00 C ATOM 0 H ILE A 18 2.641 3.607 6.546 1.00 0.00 H new ATOM 0 HA ILE A 18 3.498 6.333 7.533 1.00 0.00 H new ATOM 0 HB ILE A 18 2.244 5.227 4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.984 6.459 5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.831 4.863 5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.721 7.480 4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.612 7.578 5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.329 7.999 5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.368 4.700 3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.755 4.023 3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.910 5.643 2.930 1.00 0.00 H new ATOM 262 N PRO A 19 1.286 6.936 8.387 1.00 0.00 N ATOM 263 CA PRO A 19 -0.047 7.332 8.907 1.00 0.00 C ATOM 264 C PRO A 19 -0.794 8.190 7.882 1.00 0.00 C ATOM 265 O PRO A 19 -0.195 8.849 7.054 1.00 0.00 O ATOM 266 CB PRO A 19 0.278 8.143 10.157 1.00 0.00 C ATOM 267 CG PRO A 19 1.663 8.663 9.932 1.00 0.00 C ATOM 268 CD PRO A 19 2.374 7.668 9.054 1.00 0.00 C ATOM 0 HA PRO A 19 -0.692 6.478 9.114 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.432 8.958 10.294 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.230 7.524 11.053 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.633 9.644 9.457 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.188 8.784 10.880 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.021 8.165 8.332 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.004 6.999 9.639 1.00 0.00 H new ATOM 276 N ALA A 20 -2.098 8.189 7.933 1.00 0.00 N ATOM 277 CA ALA A 20 -2.885 9.006 6.965 1.00 0.00 C ATOM 278 C ALA A 20 -3.498 10.220 7.675 1.00 0.00 C ATOM 279 O ALA A 20 -4.562 10.121 8.254 1.00 0.00 O ATOM 280 CB ALA A 20 -3.982 8.070 6.456 1.00 0.00 C ATOM 0 H ALA A 20 -2.653 7.657 8.604 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.270 9.391 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.607 8.599 5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.527 7.204 5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.595 7.739 7.294 1.00 0.00 H new ATOM 286 N PRO A 21 -2.805 11.330 7.611 1.00 0.00 N ATOM 287 CA PRO A 21 -3.296 12.570 8.265 1.00 0.00 C ATOM 288 C PRO A 21 -4.486 13.165 7.497 1.00 0.00 C ATOM 289 O PRO A 21 -5.090 14.125 7.929 1.00 0.00 O ATOM 290 CB PRO A 21 -2.092 13.507 8.206 1.00 0.00 C ATOM 291 CG PRO A 21 -1.277 13.021 7.052 1.00 0.00 C ATOM 292 CD PRO A 21 -1.514 11.537 6.936 1.00 0.00 C ATOM 0 HA PRO A 21 -3.653 12.398 9.280 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.404 14.541 8.060 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.521 13.474 9.134 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.568 13.530 6.133 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.219 13.231 7.212 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.553 11.219 5.894 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.717 10.967 7.414 1.00 0.00 H new ATOM 300 N LEU A 22 -4.826 12.608 6.364 1.00 0.00 N ATOM 301 CA LEU A 22 -5.975 13.156 5.586 1.00 0.00 C ATOM 302 C LEU A 22 -7.219 12.273 5.756 1.00 0.00 C ATOM 303 O LEU A 22 -8.247 12.517 5.155 1.00 0.00 O ATOM 304 CB LEU A 22 -5.505 13.146 4.131 1.00 0.00 C ATOM 305 CG LEU A 22 -6.249 14.230 3.347 1.00 0.00 C ATOM 306 CD1 LEU A 22 -5.355 15.465 3.211 1.00 0.00 C ATOM 307 CD2 LEU A 22 -6.601 13.700 1.956 1.00 0.00 C ATOM 0 H LEU A 22 -4.361 11.802 5.946 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.256 14.154 5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.430 13.321 4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.689 12.169 3.685 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.163 14.500 3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.884 16.237 2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.102 15.842 4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.441 15.196 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.131 14.471 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.687 13.431 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.237 12.820 2.052 1.00 0.00 H new ATOM 319 N ALA A 23 -7.141 11.250 6.567 1.00 0.00 N ATOM 320 CA ALA A 23 -8.325 10.364 6.765 1.00 0.00 C ATOM 321 C ALA A 23 -8.848 9.870 5.412 1.00 0.00 C ATOM 322 O ALA A 23 -8.331 10.220 4.371 1.00 0.00 O ATOM 323 CB ALA A 23 -9.369 11.243 7.455 1.00 0.00 C ATOM 0 H ALA A 23 -6.310 10.991 7.099 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.084 9.480 7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.273 10.661 7.635 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.972 11.601 8.405 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.607 12.094 6.817 1.00 0.00 H new ATOM 329 N GLY A 24 -9.871 9.060 5.422 1.00 0.00 N ATOM 330 CA GLY A 24 -10.424 8.548 4.136 1.00 0.00 C ATOM 331 C GLY A 24 -11.335 7.350 4.412 1.00 0.00 C ATOM 332 O GLY A 24 -11.410 6.857 5.519 1.00 0.00 O ATOM 0 H GLY A 24 -10.347 8.731 6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.984 9.335 3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.612 8.255 3.470 1.00 0.00 H new ATOM 336 N THR A 25 -12.028 6.878 3.411 1.00 0.00 N ATOM 337 CA THR A 25 -12.933 5.711 3.619 1.00 0.00 C ATOM 338 C THR A 25 -12.271 4.429 3.107 1.00 0.00 C ATOM 339 O THR A 25 -12.063 4.257 1.923 1.00 0.00 O ATOM 340 CB THR A 25 -14.190 6.029 2.807 1.00 0.00 C ATOM 341 OG1 THR A 25 -13.823 6.344 1.468 1.00 0.00 O ATOM 342 CG2 THR A 25 -14.918 7.218 3.438 1.00 0.00 C ATOM 0 H THR A 25 -12.007 7.249 2.461 1.00 0.00 H new ATOM 0 HA THR A 25 -13.161 5.551 4.673 1.00 0.00 H new ATOM 0 HB THR A 25 -14.852 5.163 2.804 1.00 0.00 H new ATOM 0 HG1 THR A 25 -13.223 5.651 1.121 1.00 0.00 H new ATOM 0 HG21 THR A 25 -15.814 7.445 2.860 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.200 6.971 4.461 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.260 8.087 3.443 1.00 0.00 H new ATOM 350 N VAL A 26 -11.941 3.528 3.992 1.00 0.00 N ATOM 351 CA VAL A 26 -11.294 2.257 3.558 1.00 0.00 C ATOM 352 C VAL A 26 -12.354 1.279 3.045 1.00 0.00 C ATOM 353 O VAL A 26 -12.997 0.588 3.813 1.00 0.00 O ATOM 354 CB VAL A 26 -10.618 1.709 4.814 1.00 0.00 C ATOM 355 CG1 VAL A 26 -9.985 0.351 4.503 1.00 0.00 C ATOM 356 CG2 VAL A 26 -9.533 2.682 5.277 1.00 0.00 C ATOM 0 H VAL A 26 -12.091 3.617 4.997 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.581 2.408 2.747 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.361 1.592 5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.503 -0.040 5.399 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.758 -0.344 4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.243 0.468 3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.051 2.290 6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.790 2.801 4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.983 3.649 5.500 1.00 0.00 H new ATOM 366 N SER A 27 -12.544 1.213 1.757 1.00 0.00 N ATOM 367 CA SER A 27 -13.566 0.281 1.201 1.00 0.00 C ATOM 368 C SER A 27 -12.940 -1.088 0.921 1.00 0.00 C ATOM 369 O SER A 27 -13.528 -2.117 1.189 1.00 0.00 O ATOM 370 CB SER A 27 -14.036 0.933 -0.098 1.00 0.00 C ATOM 371 OG SER A 27 -15.293 1.559 0.118 1.00 0.00 O ATOM 0 H SER A 27 -12.036 1.764 1.065 1.00 0.00 H new ATOM 0 HA SER A 27 -14.391 0.115 1.894 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.304 1.667 -0.435 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.121 0.183 -0.885 1.00 0.00 H new ATOM 0 HG SER A 27 -15.596 1.980 -0.714 1.00 0.00 H new ATOM 377 N LYS A 28 -11.752 -1.110 0.382 1.00 0.00 N ATOM 378 CA LYS A 28 -11.096 -2.415 0.085 1.00 0.00 C ATOM 379 C LYS A 28 -9.656 -2.190 -0.384 1.00 0.00 C ATOM 380 O LYS A 28 -9.238 -1.077 -0.632 1.00 0.00 O ATOM 381 CB LYS A 28 -11.935 -3.035 -1.033 1.00 0.00 C ATOM 382 CG LYS A 28 -12.489 -4.385 -0.571 1.00 0.00 C ATOM 383 CD LYS A 28 -12.108 -5.469 -1.582 1.00 0.00 C ATOM 384 CE LYS A 28 -11.587 -6.700 -0.838 1.00 0.00 C ATOM 385 NZ LYS A 28 -12.506 -7.805 -1.229 1.00 0.00 N ATOM 0 H LYS A 28 -11.208 -0.283 0.135 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.045 -3.061 0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.754 -2.367 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.326 -3.167 -1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.092 -4.635 0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.573 -4.330 -0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.974 -5.736 -2.188 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.345 -5.093 -2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.558 -6.925 -1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.596 -6.542 0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.212 -8.684 -0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.477 -7.567 -0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.471 -7.937 -2.260 1.00 0.00 H new ATOM 399 N ILE A 29 -8.895 -3.243 -0.507 1.00 0.00 N ATOM 400 CA ILE A 29 -7.483 -3.096 -0.960 1.00 0.00 C ATOM 401 C ILE A 29 -7.169 -4.126 -2.049 1.00 0.00 C ATOM 402 O ILE A 29 -7.337 -5.315 -1.858 1.00 0.00 O ATOM 403 CB ILE A 29 -6.637 -3.349 0.293 1.00 0.00 C ATOM 404 CG1 ILE A 29 -5.163 -3.096 -0.029 1.00 0.00 C ATOM 405 CG2 ILE A 29 -6.815 -4.796 0.758 1.00 0.00 C ATOM 406 CD1 ILE A 29 -4.361 -3.036 1.273 1.00 0.00 C ATOM 0 H ILE A 29 -9.191 -4.200 -0.313 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.283 -2.115 -1.390 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.961 -2.675 1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.778 -3.889 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.055 -2.161 -0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.211 -4.969 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.864 -4.977 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.497 -5.474 -0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.310 -2.856 1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.741 -2.227 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.460 -3.982 1.805 1.00 0.00 H new ATOM 418 N LEU A 30 -6.721 -3.682 -3.191 1.00 0.00 N ATOM 419 CA LEU A 30 -6.404 -4.640 -4.290 1.00 0.00 C ATOM 420 C LEU A 30 -5.178 -5.482 -3.926 1.00 0.00 C ATOM 421 O LEU A 30 -5.250 -6.692 -3.836 1.00 0.00 O ATOM 422 CB LEU A 30 -6.114 -3.763 -5.508 1.00 0.00 C ATOM 423 CG LEU A 30 -7.418 -3.491 -6.260 1.00 0.00 C ATOM 424 CD1 LEU A 30 -8.149 -2.320 -5.603 1.00 0.00 C ATOM 425 CD2 LEU A 30 -7.106 -3.148 -7.718 1.00 0.00 C ATOM 0 H LEU A 30 -6.561 -2.699 -3.411 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.220 -5.338 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.660 -2.823 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.399 -4.259 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.050 -4.379 -6.225 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.078 -2.125 -6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.373 -2.567 -4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.518 -1.432 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.036 -2.954 -8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.474 -2.261 -7.756 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.586 -3.984 -8.185 1.00 0.00 H new ATOM 437 N VAL A 31 -4.052 -4.856 -3.715 1.00 0.00 N ATOM 438 CA VAL A 31 -2.827 -5.629 -3.356 1.00 0.00 C ATOM 439 C VAL A 31 -2.145 -4.988 -2.132 1.00 0.00 C ATOM 440 O VAL A 31 -2.708 -4.963 -1.055 1.00 0.00 O ATOM 441 CB VAL A 31 -1.939 -5.573 -4.607 1.00 0.00 C ATOM 442 CG1 VAL A 31 -0.742 -6.511 -4.424 1.00 0.00 C ATOM 443 CG2 VAL A 31 -2.741 -6.014 -5.834 1.00 0.00 C ATOM 0 H VAL A 31 -3.927 -3.846 -3.775 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.040 -6.661 -3.078 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.589 -4.551 -4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.110 -6.472 -5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.165 -6.199 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.098 -7.531 -4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.105 -5.972 -6.718 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.095 -7.035 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.595 -5.350 -5.969 1.00 0.00 H new ATOM 453 N LYS A 32 -0.947 -4.467 -2.268 1.00 0.00 N ATOM 454 CA LYS A 32 -0.275 -3.842 -1.092 1.00 0.00 C ATOM 455 C LYS A 32 -0.231 -4.829 0.078 1.00 0.00 C ATOM 456 O LYS A 32 -0.610 -4.510 1.188 1.00 0.00 O ATOM 457 CB LYS A 32 -1.136 -2.628 -0.739 1.00 0.00 C ATOM 458 CG LYS A 32 -0.345 -1.690 0.174 1.00 0.00 C ATOM 459 CD LYS A 32 -0.562 -0.241 -0.269 1.00 0.00 C ATOM 460 CE LYS A 32 0.551 0.641 0.302 1.00 0.00 C ATOM 461 NZ LYS A 32 1.306 1.128 -0.886 1.00 0.00 N ATOM 0 H LYS A 32 -0.413 -4.449 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 32 0.755 -3.560 -1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.434 -2.103 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.051 -2.950 -0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.665 -1.817 1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.716 -1.938 0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.567 -0.179 -1.357 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.534 0.114 0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.141 1.472 0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.196 0.076 0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.196 1.567 -0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.516 0.328 -1.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.734 1.830 -1.397 1.00 0.00 H new ATOM 475 N GLU A 33 0.228 -6.024 -0.165 1.00 0.00 N ATOM 476 CA GLU A 33 0.301 -7.037 0.929 1.00 0.00 C ATOM 477 C GLU A 33 1.094 -8.257 0.454 1.00 0.00 C ATOM 478 O GLU A 33 0.604 -9.074 -0.299 1.00 0.00 O ATOM 479 CB GLU A 33 -1.152 -7.417 1.231 1.00 0.00 C ATOM 480 CG GLU A 33 -1.873 -7.801 -0.065 1.00 0.00 C ATOM 481 CD GLU A 33 -2.618 -9.122 0.136 1.00 0.00 C ATOM 482 OE1 GLU A 33 -3.463 -9.176 1.014 1.00 0.00 O ATOM 483 OE2 GLU A 33 -2.332 -10.058 -0.593 1.00 0.00 O ATOM 0 H GLU A 33 0.557 -6.346 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 33 0.804 -6.653 1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.180 -8.250 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.664 -6.581 1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.574 -7.016 -0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.154 -7.897 -0.879 1.00 0.00 H new ATOM 490 N GLY A 34 2.320 -8.381 0.880 1.00 0.00 N ATOM 491 CA GLY A 34 3.143 -9.543 0.442 1.00 0.00 C ATOM 492 C GLY A 34 3.307 -9.496 -1.079 1.00 0.00 C ATOM 493 O GLY A 34 3.575 -10.495 -1.717 1.00 0.00 O ATOM 0 H GLY A 34 2.787 -7.730 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.119 -9.516 0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.665 -10.476 0.740 1.00 0.00 H new ATOM 497 N ASP A 35 3.145 -8.338 -1.666 1.00 0.00 N ATOM 498 CA ASP A 35 3.287 -8.222 -3.145 1.00 0.00 C ATOM 499 C ASP A 35 4.208 -7.052 -3.495 1.00 0.00 C ATOM 500 O ASP A 35 4.153 -6.002 -2.884 1.00 0.00 O ATOM 501 CB ASP A 35 1.870 -7.957 -3.654 1.00 0.00 C ATOM 502 CG ASP A 35 1.500 -9.005 -4.706 1.00 0.00 C ATOM 503 OD1 ASP A 35 1.800 -8.781 -5.867 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.923 -10.012 -4.332 1.00 0.00 O ATOM 0 H ASP A 35 2.920 -7.468 -1.183 1.00 0.00 H new ATOM 0 HA ASP A 35 3.723 -9.115 -3.592 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.162 -7.992 -2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.808 -6.957 -4.084 1.00 0.00 H new ATOM 509 N THR A 36 5.052 -7.221 -4.475 1.00 0.00 N ATOM 510 CA THR A 36 5.973 -6.114 -4.859 1.00 0.00 C ATOM 511 C THR A 36 5.216 -5.057 -5.666 1.00 0.00 C ATOM 512 O THR A 36 5.167 -5.103 -6.878 1.00 0.00 O ATOM 513 CB THR A 36 7.054 -6.776 -5.716 1.00 0.00 C ATOM 514 OG1 THR A 36 7.789 -7.696 -4.920 1.00 0.00 O ATOM 515 CG2 THR A 36 7.999 -5.706 -6.267 1.00 0.00 C ATOM 0 H THR A 36 5.144 -8.075 -5.025 1.00 0.00 H new ATOM 0 HA THR A 36 6.397 -5.608 -3.992 1.00 0.00 H new ATOM 0 HB THR A 36 6.586 -7.305 -6.546 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.481 -8.122 -5.468 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.768 -6.179 -6.877 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.434 -5.001 -6.877 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.468 -5.174 -5.439 1.00 0.00 H new ATOM 523 N VAL A 37 4.627 -4.103 -4.999 1.00 0.00 N ATOM 524 CA VAL A 37 3.875 -3.043 -5.726 1.00 0.00 C ATOM 525 C VAL A 37 4.838 -2.180 -6.545 1.00 0.00 C ATOM 526 O VAL A 37 6.007 -2.483 -6.668 1.00 0.00 O ATOM 527 CB VAL A 37 3.208 -2.212 -4.630 1.00 0.00 C ATOM 528 CG1 VAL A 37 2.306 -3.114 -3.786 1.00 0.00 C ATOM 529 CG2 VAL A 37 4.283 -1.588 -3.737 1.00 0.00 C ATOM 0 H VAL A 37 4.634 -4.012 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 37 3.147 -3.456 -6.425 1.00 0.00 H new ATOM 0 HB VAL A 37 2.610 -1.422 -5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.830 -2.523 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.540 -3.560 -4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.904 -3.903 -3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.808 -0.995 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.881 -2.377 -3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.927 -0.946 -4.338 1.00 0.00 H new ATOM 539 N LYS A 38 4.353 -1.108 -7.108 1.00 0.00 N ATOM 540 CA LYS A 38 5.241 -0.227 -7.918 1.00 0.00 C ATOM 541 C LYS A 38 4.786 1.230 -7.798 1.00 0.00 C ATOM 542 O LYS A 38 3.640 1.511 -7.504 1.00 0.00 O ATOM 543 CB LYS A 38 5.084 -0.725 -9.355 1.00 0.00 C ATOM 544 CG LYS A 38 6.322 -0.340 -10.168 1.00 0.00 C ATOM 545 CD LYS A 38 6.421 -1.238 -11.403 1.00 0.00 C ATOM 546 CE LYS A 38 5.458 -0.733 -12.481 1.00 0.00 C ATOM 547 NZ LYS A 38 6.175 0.395 -13.137 1.00 0.00 N ATOM 0 H LYS A 38 3.382 -0.804 -7.042 1.00 0.00 H new ATOM 0 HA LYS A 38 6.279 -0.263 -7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.952 -1.807 -9.364 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.191 -0.292 -9.806 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.261 0.706 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.218 -0.444 -9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.442 -1.239 -11.784 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.179 -2.267 -11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.219 -1.519 -13.197 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.515 -0.402 -12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.529 1.203 -13.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.988 0.676 -12.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.510 0.095 -14.075 1.00 0.00 H new ATOM 561 N ALA A 39 5.675 2.161 -8.018 1.00 0.00 N ATOM 562 CA ALA A 39 5.289 3.599 -7.911 1.00 0.00 C ATOM 563 C ALA A 39 4.212 3.941 -8.945 1.00 0.00 C ATOM 564 O ALA A 39 4.508 4.275 -10.076 1.00 0.00 O ATOM 565 CB ALA A 39 6.574 4.376 -8.198 1.00 0.00 C ATOM 0 H ALA A 39 6.649 1.990 -8.267 1.00 0.00 H new ATOM 0 HA ALA A 39 4.874 3.842 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.373 5.446 -8.138 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.333 4.108 -7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.933 4.129 -9.197 1.00 0.00 H new ATOM 571 N GLY A 40 2.966 3.863 -8.566 1.00 0.00 N ATOM 572 CA GLY A 40 1.871 4.185 -9.526 1.00 0.00 C ATOM 573 C GLY A 40 1.053 2.926 -9.813 1.00 0.00 C ATOM 574 O GLY A 40 0.561 2.729 -10.907 1.00 0.00 O ATOM 0 H GLY A 40 2.658 3.590 -7.633 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.228 4.962 -9.112 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.290 4.578 -10.453 1.00 0.00 H new ATOM 578 N GLN A 41 0.902 2.071 -8.840 1.00 0.00 N ATOM 579 CA GLN A 41 0.114 0.825 -9.059 1.00 0.00 C ATOM 580 C GLN A 41 -1.144 0.829 -8.184 1.00 0.00 C ATOM 581 O GLN A 41 -1.075 0.689 -6.980 1.00 0.00 O ATOM 582 CB GLN A 41 1.051 -0.312 -8.650 1.00 0.00 C ATOM 583 CG GLN A 41 0.755 -1.549 -9.499 1.00 0.00 C ATOM 584 CD GLN A 41 0.577 -2.764 -8.587 1.00 0.00 C ATOM 585 OE1 GLN A 41 -0.533 -3.185 -8.326 1.00 0.00 O ATOM 586 NE2 GLN A 41 1.630 -3.351 -8.090 1.00 0.00 N ATOM 0 H GLN A 41 1.290 2.181 -7.903 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.222 0.725 -10.091 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.089 -0.007 -8.782 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.919 -0.543 -7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.147 -1.390 -10.090 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.570 -1.725 -10.201 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.562 -2.998 -8.309 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.522 -4.163 -7.482 1.00 0.00 H new ATOM 595 N THR A 42 -2.293 0.987 -8.785 1.00 0.00 N ATOM 596 CA THR A 42 -3.560 0.999 -7.992 1.00 0.00 C ATOM 597 C THR A 42 -3.631 -0.242 -7.099 1.00 0.00 C ATOM 598 O THR A 42 -3.793 -1.349 -7.572 1.00 0.00 O ATOM 599 CB THR A 42 -4.685 0.978 -9.031 1.00 0.00 C ATOM 600 OG1 THR A 42 -4.235 1.576 -10.240 1.00 0.00 O ATOM 601 CG2 THR A 42 -5.886 1.756 -8.495 1.00 0.00 C ATOM 0 H THR A 42 -2.411 1.108 -9.791 1.00 0.00 H new ATOM 0 HA THR A 42 -3.630 1.869 -7.339 1.00 0.00 H new ATOM 0 HB THR A 42 -4.975 -0.054 -9.227 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.741 2.397 -10.035 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.688 1.742 -9.233 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.235 1.295 -7.571 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.593 2.787 -8.297 1.00 0.00 H new ATOM 609 N VAL A 43 -3.502 -0.068 -5.811 1.00 0.00 N ATOM 610 CA VAL A 43 -3.555 -1.244 -4.894 1.00 0.00 C ATOM 611 C VAL A 43 -4.536 -1.004 -3.739 1.00 0.00 C ATOM 612 O VAL A 43 -4.777 -1.882 -2.935 1.00 0.00 O ATOM 613 CB VAL A 43 -2.129 -1.386 -4.361 1.00 0.00 C ATOM 614 CG1 VAL A 43 -1.183 -1.712 -5.519 1.00 0.00 C ATOM 615 CG2 VAL A 43 -1.698 -0.073 -3.704 1.00 0.00 C ATOM 0 H VAL A 43 -3.363 0.834 -5.355 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.901 -2.141 -5.407 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.093 -2.189 -3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.166 -1.813 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.491 -2.647 -5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.218 -0.908 -6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.681 -0.173 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.733 0.731 -4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.372 0.160 -2.880 1.00 0.00 H new ATOM 625 N LEU A 44 -5.103 0.170 -3.639 1.00 0.00 N ATOM 626 CA LEU A 44 -6.058 0.431 -2.523 1.00 0.00 C ATOM 627 C LEU A 44 -7.349 1.061 -3.053 1.00 0.00 C ATOM 628 O LEU A 44 -7.405 1.547 -4.165 1.00 0.00 O ATOM 629 CB LEU A 44 -5.328 1.402 -1.595 1.00 0.00 C ATOM 630 CG LEU A 44 -5.402 0.887 -0.156 1.00 0.00 C ATOM 631 CD1 LEU A 44 -3.985 0.708 0.394 1.00 0.00 C ATOM 632 CD2 LEU A 44 -6.162 1.894 0.709 1.00 0.00 C ATOM 0 H LEU A 44 -4.948 0.952 -4.275 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.347 -0.486 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.287 1.503 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.778 2.393 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.923 -0.070 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.036 0.341 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.444 -0.010 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.464 1.666 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.214 1.527 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.643 2.852 0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.171 2.022 0.317 1.00 0.00 H new ATOM 644 N VAL A 45 -8.389 1.056 -2.261 1.00 0.00 N ATOM 645 CA VAL A 45 -9.679 1.652 -2.715 1.00 0.00 C ATOM 646 C VAL A 45 -10.137 2.741 -1.741 1.00 0.00 C ATOM 647 O VAL A 45 -10.561 2.461 -0.636 1.00 0.00 O ATOM 648 CB VAL A 45 -10.673 0.491 -2.719 1.00 0.00 C ATOM 649 CG1 VAL A 45 -12.049 1.002 -3.152 1.00 0.00 C ATOM 650 CG2 VAL A 45 -10.197 -0.586 -3.695 1.00 0.00 C ATOM 0 H VAL A 45 -8.400 0.665 -1.319 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.590 2.120 -3.695 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.741 0.066 -1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.760 0.175 -3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.388 1.769 -2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.981 1.426 -4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.906 -1.414 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.128 -0.164 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.217 -0.949 -3.386 1.00 0.00 H new ATOM 660 N LEU A 46 -10.058 3.982 -2.141 1.00 0.00 N ATOM 661 CA LEU A 46 -10.494 5.085 -1.233 1.00 0.00 C ATOM 662 C LEU A 46 -11.541 5.961 -1.927 1.00 0.00 C ATOM 663 O LEU A 46 -11.593 6.042 -3.138 1.00 0.00 O ATOM 664 CB LEU A 46 -9.226 5.891 -0.947 1.00 0.00 C ATOM 665 CG LEU A 46 -8.752 5.615 0.481 1.00 0.00 C ATOM 666 CD1 LEU A 46 -9.829 6.061 1.471 1.00 0.00 C ATOM 667 CD2 LEU A 46 -8.490 4.117 0.654 1.00 0.00 C ATOM 0 H LEU A 46 -9.712 4.280 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.952 4.708 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.445 5.623 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.423 6.955 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.832 6.168 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.492 5.864 2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.015 7.128 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.749 5.509 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.152 3.922 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.409 3.563 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.722 3.798 -0.050 1.00 0.00 H new ATOM 679 N GLU A 47 -12.376 6.619 -1.168 1.00 0.00 N ATOM 680 CA GLU A 47 -13.418 7.490 -1.787 1.00 0.00 C ATOM 681 C GLU A 47 -13.647 8.737 -0.928 1.00 0.00 C ATOM 682 O GLU A 47 -14.685 8.896 -0.316 1.00 0.00 O ATOM 683 CB GLU A 47 -14.681 6.629 -1.826 1.00 0.00 C ATOM 684 CG GLU A 47 -15.805 7.402 -2.518 1.00 0.00 C ATOM 685 CD GLU A 47 -16.609 6.449 -3.405 1.00 0.00 C ATOM 686 OE1 GLU A 47 -17.303 5.606 -2.860 1.00 0.00 O ATOM 687 OE2 GLU A 47 -16.517 6.579 -4.615 1.00 0.00 O ATOM 0 H GLU A 47 -12.382 6.592 -0.148 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.128 7.837 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.483 5.699 -2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.981 6.359 -0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.457 7.861 -1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.388 8.211 -3.119 1.00 0.00 H new ATOM 775 N THR A 53 -11.251 6.022 -5.641 1.00 0.00 N ATOM 776 CA THR A 53 -11.119 4.539 -5.455 1.00 0.00 C ATOM 777 C THR A 53 -9.733 4.051 -5.890 1.00 0.00 C ATOM 778 O THR A 53 -8.961 3.564 -5.093 1.00 0.00 O ATOM 779 CB THR A 53 -12.208 3.909 -6.333 1.00 0.00 C ATOM 780 OG1 THR A 53 -13.355 4.746 -6.337 1.00 0.00 O ATOM 781 CG2 THR A 53 -12.581 2.532 -5.779 1.00 0.00 C ATOM 0 HA THR A 53 -11.233 4.262 -4.407 1.00 0.00 H new ATOM 0 HB THR A 53 -11.835 3.799 -7.351 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.076 5.683 -6.272 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.355 2.086 -6.404 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.700 1.890 -5.778 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.954 2.638 -4.760 1.00 0.00 H new ATOM 789 N GLU A 54 -9.416 4.159 -7.146 1.00 0.00 N ATOM 790 CA GLU A 54 -8.086 3.680 -7.620 1.00 0.00 C ATOM 791 C GLU A 54 -6.948 4.362 -6.851 1.00 0.00 C ATOM 792 O GLU A 54 -6.555 5.470 -7.157 1.00 0.00 O ATOM 793 CB GLU A 54 -8.038 4.065 -9.100 1.00 0.00 C ATOM 794 CG GLU A 54 -8.518 2.887 -9.949 1.00 0.00 C ATOM 795 CD GLU A 54 -9.988 3.091 -10.323 1.00 0.00 C ATOM 796 OE1 GLU A 54 -10.686 3.742 -9.564 1.00 0.00 O ATOM 797 OE2 GLU A 54 -10.389 2.594 -11.363 1.00 0.00 O ATOM 0 H GLU A 54 -10.017 4.557 -7.867 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.961 2.608 -7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.666 4.937 -9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.022 4.340 -9.382 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.911 2.804 -10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.398 1.955 -9.397 1.00 0.00 H new ATOM 804 N ILE A 55 -6.404 3.699 -5.862 1.00 0.00 N ATOM 805 CA ILE A 55 -5.281 4.305 -5.086 1.00 0.00 C ATOM 806 C ILE A 55 -3.944 3.739 -5.581 1.00 0.00 C ATOM 807 O ILE A 55 -3.534 2.662 -5.195 1.00 0.00 O ATOM 808 CB ILE A 55 -5.535 3.905 -3.625 1.00 0.00 C ATOM 809 CG1 ILE A 55 -6.740 4.678 -3.087 1.00 0.00 C ATOM 810 CG2 ILE A 55 -4.309 4.241 -2.768 1.00 0.00 C ATOM 811 CD1 ILE A 55 -6.476 6.181 -3.197 1.00 0.00 C ATOM 0 H ILE A 55 -6.688 2.767 -5.559 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.233 5.388 -5.200 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.728 2.833 -3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.635 4.414 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.925 4.406 -2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.498 3.954 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.443 3.696 -3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.113 5.312 -2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.336 6.730 -2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.591 6.439 -2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.313 6.446 -4.242 1.00 0.00 H new ATOM 823 N ASN A 56 -3.263 4.461 -6.431 1.00 0.00 N ATOM 824 CA ASN A 56 -1.952 3.969 -6.948 1.00 0.00 C ATOM 825 C ASN A 56 -0.903 3.997 -5.835 1.00 0.00 C ATOM 826 O ASN A 56 -0.751 4.979 -5.136 1.00 0.00 O ATOM 827 CB ASN A 56 -1.578 4.941 -8.066 1.00 0.00 C ATOM 828 CG ASN A 56 -2.605 4.838 -9.196 1.00 0.00 C ATOM 829 OD1 ASN A 56 -2.720 3.810 -9.835 1.00 0.00 O ATOM 830 ND2 ASN A 56 -3.360 5.865 -9.472 1.00 0.00 N ATOM 0 H ASN A 56 -3.557 5.369 -6.790 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.007 2.941 -7.306 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.546 5.960 -7.681 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.582 4.712 -8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.047 5.806 -10.224 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.264 6.727 -8.936 1.00 0.00 H new ATOM 837 N ALA A 57 -0.178 2.925 -5.664 1.00 0.00 N ATOM 838 CA ALA A 57 0.861 2.889 -4.594 1.00 0.00 C ATOM 839 C ALA A 57 1.786 4.108 -4.711 1.00 0.00 C ATOM 840 O ALA A 57 1.916 4.684 -5.773 1.00 0.00 O ATOM 841 CB ALA A 57 1.641 1.599 -4.844 1.00 0.00 C ATOM 0 H ALA A 57 -0.260 2.073 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 57 0.426 2.916 -3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.427 1.498 -4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.965 0.746 -4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.088 1.631 -5.838 1.00 0.00 H new ATOM 847 N PRO A 58 2.401 4.465 -3.610 1.00 0.00 N ATOM 848 CA PRO A 58 3.318 5.629 -3.602 1.00 0.00 C ATOM 849 C PRO A 58 4.635 5.273 -4.296 1.00 0.00 C ATOM 850 O PRO A 58 5.112 5.993 -5.151 1.00 0.00 O ATOM 851 CB PRO A 58 3.542 5.902 -2.118 1.00 0.00 C ATOM 852 CG PRO A 58 3.287 4.595 -1.437 1.00 0.00 C ATOM 853 CD PRO A 58 2.305 3.829 -2.288 1.00 0.00 C ATOM 0 HA PRO A 58 2.918 6.494 -4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.557 6.252 -1.931 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.866 6.675 -1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.215 4.034 -1.322 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.885 4.755 -0.437 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.560 2.770 -2.336 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.294 3.895 -1.887 1.00 0.00 H new ATOM 861 N THR A 59 5.224 4.166 -3.936 1.00 0.00 N ATOM 862 CA THR A 59 6.508 3.764 -4.577 1.00 0.00 C ATOM 863 C THR A 59 6.512 2.258 -4.854 1.00 0.00 C ATOM 864 O THR A 59 5.515 1.583 -4.687 1.00 0.00 O ATOM 865 CB THR A 59 7.589 4.126 -3.558 1.00 0.00 C ATOM 866 OG1 THR A 59 7.330 3.449 -2.335 1.00 0.00 O ATOM 867 CG2 THR A 59 7.583 5.637 -3.319 1.00 0.00 C ATOM 0 H THR A 59 4.872 3.523 -3.227 1.00 0.00 H new ATOM 0 HA THR A 59 6.667 4.262 -5.533 1.00 0.00 H new ATOM 0 HB THR A 59 8.565 3.826 -3.940 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.023 3.678 -1.681 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.354 5.894 -2.592 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.782 6.155 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.609 5.941 -2.937 1.00 0.00 H new ATOM 875 N ASP A 60 7.626 1.727 -5.276 1.00 0.00 N ATOM 876 CA ASP A 60 7.694 0.267 -5.564 1.00 0.00 C ATOM 877 C ASP A 60 8.382 -0.467 -4.411 1.00 0.00 C ATOM 878 O ASP A 60 9.199 0.093 -3.706 1.00 0.00 O ATOM 879 CB ASP A 60 8.526 0.158 -6.842 1.00 0.00 C ATOM 880 CG ASP A 60 9.914 0.752 -6.598 1.00 0.00 C ATOM 881 OD1 ASP A 60 10.040 1.963 -6.681 1.00 0.00 O ATOM 882 OD2 ASP A 60 10.826 -0.013 -6.331 1.00 0.00 O ATOM 0 H ASP A 60 8.493 2.241 -5.434 1.00 0.00 H new ATOM 0 HA ASP A 60 6.707 -0.180 -5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.613 -0.886 -7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.031 0.686 -7.657 1.00 0.00 H new ATOM 887 N GLY A 61 8.059 -1.715 -4.214 1.00 0.00 N ATOM 888 CA GLY A 61 8.698 -2.481 -3.106 1.00 0.00 C ATOM 889 C GLY A 61 7.736 -3.559 -2.603 1.00 0.00 C ATOM 890 O GLY A 61 6.542 -3.487 -2.814 1.00 0.00 O ATOM 0 H GLY A 61 7.382 -2.237 -4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.623 -2.940 -3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.963 -1.808 -2.291 1.00 0.00 H new ATOM 894 N LYS A 62 8.248 -4.560 -1.939 1.00 0.00 N ATOM 895 CA LYS A 62 7.365 -5.643 -1.422 1.00 0.00 C ATOM 896 C LYS A 62 6.793 -5.257 -0.058 1.00 0.00 C ATOM 897 O LYS A 62 7.519 -5.010 0.884 1.00 0.00 O ATOM 898 CB LYS A 62 8.270 -6.868 -1.299 1.00 0.00 C ATOM 899 CG LYS A 62 7.449 -8.135 -1.542 1.00 0.00 C ATOM 900 CD LYS A 62 8.107 -9.317 -0.827 1.00 0.00 C ATOM 901 CE LYS A 62 7.082 -10.438 -0.646 1.00 0.00 C ATOM 902 NZ LYS A 62 7.706 -11.376 0.328 1.00 0.00 N ATOM 0 H LYS A 62 9.240 -4.674 -1.732 1.00 0.00 H new ATOM 0 HA LYS A 62 6.515 -5.829 -2.078 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.084 -6.806 -2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.724 -6.900 -0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.431 -7.997 -1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.380 -8.336 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.958 -9.678 -1.405 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.491 -9.001 0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.135 -10.050 -0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.869 -10.935 -1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.062 -12.173 0.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.602 -11.734 -0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.891 -10.877 1.221 1.00 0.00 H new ATOM 916 N VAL A 63 5.493 -5.203 0.055 1.00 0.00 N ATOM 917 CA VAL A 63 4.880 -4.833 1.364 1.00 0.00 C ATOM 918 C VAL A 63 5.413 -5.755 2.466 1.00 0.00 C ATOM 919 O VAL A 63 5.899 -6.837 2.206 1.00 0.00 O ATOM 920 CB VAL A 63 3.367 -5.021 1.170 1.00 0.00 C ATOM 921 CG1 VAL A 63 2.651 -5.045 2.528 1.00 0.00 C ATOM 922 CG2 VAL A 63 2.821 -3.858 0.343 1.00 0.00 C ATOM 0 H VAL A 63 4.832 -5.398 -0.697 1.00 0.00 H new ATOM 0 HA VAL A 63 5.117 -3.812 1.663 1.00 0.00 H new ATOM 0 HB VAL A 63 3.192 -5.967 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.580 -5.179 2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.036 -5.869 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.827 -4.104 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.748 -3.985 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.010 -2.920 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.315 -3.838 -0.628 1.00 0.00 H new ATOM 932 N GLU A 64 5.315 -5.332 3.693 1.00 0.00 N ATOM 933 CA GLU A 64 5.805 -6.178 4.813 1.00 0.00 C ATOM 934 C GLU A 64 4.648 -6.533 5.750 1.00 0.00 C ATOM 935 O GLU A 64 4.760 -7.422 6.573 1.00 0.00 O ATOM 936 CB GLU A 64 6.840 -5.317 5.538 1.00 0.00 C ATOM 937 CG GLU A 64 7.926 -4.882 4.552 1.00 0.00 C ATOM 938 CD GLU A 64 9.209 -5.670 4.824 1.00 0.00 C ATOM 939 OE1 GLU A 64 9.463 -5.968 5.980 1.00 0.00 O ATOM 940 OE2 GLU A 64 9.915 -5.960 3.873 1.00 0.00 O ATOM 0 H GLU A 64 4.916 -4.435 3.969 1.00 0.00 H new ATOM 0 HA GLU A 64 6.232 -7.119 4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.359 -4.442 5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.284 -5.879 6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.592 -5.053 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.115 -3.813 4.652 1.00 0.00 H new ATOM 947 N LYS A 65 3.536 -5.850 5.641 1.00 0.00 N ATOM 948 CA LYS A 65 2.379 -6.161 6.537 1.00 0.00 C ATOM 949 C LYS A 65 1.196 -5.239 6.229 1.00 0.00 C ATOM 950 O LYS A 65 1.367 -4.103 5.833 1.00 0.00 O ATOM 951 CB LYS A 65 2.886 -5.903 7.960 1.00 0.00 C ATOM 952 CG LYS A 65 2.501 -7.077 8.863 1.00 0.00 C ATOM 953 CD LYS A 65 2.837 -6.731 10.314 1.00 0.00 C ATOM 954 CE LYS A 65 2.490 -7.918 11.216 1.00 0.00 C ATOM 955 NZ LYS A 65 2.484 -7.359 12.596 1.00 0.00 N ATOM 0 H LYS A 65 3.379 -5.094 4.974 1.00 0.00 H new ATOM 0 HA LYS A 65 2.032 -7.185 6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.969 -5.776 7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.459 -4.978 8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.437 -7.292 8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.037 -7.976 8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.896 -6.489 10.405 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.280 -5.848 10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.520 -8.341 10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.224 -8.718 11.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.254 -8.113 13.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.423 -6.969 12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.771 -6.604 12.662 1.00 0.00 H new ATOM 969 N VAL A 66 -0.002 -5.717 6.425 1.00 0.00 N ATOM 970 CA VAL A 66 -1.200 -4.869 6.162 1.00 0.00 C ATOM 971 C VAL A 66 -1.648 -4.197 7.463 1.00 0.00 C ATOM 972 O VAL A 66 -1.316 -4.640 8.544 1.00 0.00 O ATOM 973 CB VAL A 66 -2.271 -5.838 5.659 1.00 0.00 C ATOM 974 CG1 VAL A 66 -3.525 -5.053 5.269 1.00 0.00 C ATOM 975 CG2 VAL A 66 -1.743 -6.593 4.437 1.00 0.00 C ATOM 0 H VAL A 66 -0.204 -6.660 6.757 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.004 -4.077 5.439 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.517 -6.549 6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.289 -5.743 4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.902 -4.514 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.279 -4.342 4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.506 -7.284 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.497 -5.882 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.849 -7.152 4.713 1.00 0.00 H new ATOM 985 N LEU A 67 -2.395 -3.131 7.374 1.00 0.00 N ATOM 986 CA LEU A 67 -2.850 -2.443 8.618 1.00 0.00 C ATOM 987 C LEU A 67 -4.315 -2.017 8.491 1.00 0.00 C ATOM 988 O LEU A 67 -5.183 -2.540 9.162 1.00 0.00 O ATOM 989 CB LEU A 67 -1.945 -1.217 8.742 1.00 0.00 C ATOM 990 CG LEU A 67 -1.174 -1.281 10.063 1.00 0.00 C ATOM 991 CD1 LEU A 67 -0.099 -0.191 10.077 1.00 0.00 C ATOM 992 CD2 LEU A 67 -2.140 -1.062 11.228 1.00 0.00 C ATOM 0 H LEU A 67 -2.709 -2.708 6.501 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.787 -3.091 9.492 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.249 -1.180 7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.542 -0.306 8.701 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.702 -2.258 10.163 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.451 -0.235 11.017 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.589 -0.348 9.246 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.571 0.787 9.978 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.592 -1.107 12.169 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.612 -0.085 11.130 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.906 -1.838 11.217 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.598 -1.067 7.641 1.00 0.00 N ATOM 1005 CA VAL A 68 -6.007 -0.601 7.474 1.00 0.00 C ATOM 1006 C VAL A 68 -6.953 -1.794 7.297 1.00 0.00 C ATOM 1007 O VAL A 68 -6.555 -2.856 6.862 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.989 0.264 6.214 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -4.981 1.401 6.392 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -5.583 -0.592 5.011 1.00 0.00 C ATOM 0 H VAL A 68 -3.913 -0.592 7.053 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.362 -0.050 8.345 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.982 0.680 6.045 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.967 2.019 5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.269 2.011 7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.988 0.984 6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.570 0.025 4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.590 -1.008 5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.300 -1.403 4.883 1.00 0.00 H new ATOM 1020 N LYS A 69 -8.204 -1.623 7.631 1.00 0.00 N ATOM 1021 CA LYS A 69 -9.175 -2.745 7.485 1.00 0.00 C ATOM 1022 C LYS A 69 -10.358 -2.312 6.613 1.00 0.00 C ATOM 1023 O LYS A 69 -10.746 -1.161 6.607 1.00 0.00 O ATOM 1024 CB LYS A 69 -9.644 -3.051 8.909 1.00 0.00 C ATOM 1025 CG LYS A 69 -8.869 -4.252 9.456 1.00 0.00 C ATOM 1026 CD LYS A 69 -9.721 -4.976 10.502 1.00 0.00 C ATOM 1027 CE LYS A 69 -9.563 -4.285 11.858 1.00 0.00 C ATOM 1028 NZ LYS A 69 -9.845 -5.347 12.864 1.00 0.00 N ATOM 0 H LYS A 69 -8.595 -0.755 7.998 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.729 -3.616 7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.488 -2.182 9.549 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.713 -3.262 8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.613 -4.934 8.645 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.931 -3.921 9.901 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.768 -4.971 10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.415 -6.020 10.576 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.558 -3.881 11.981 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.257 -3.450 11.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.757 -4.951 13.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.811 -5.708 12.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.165 -6.125 12.747 1.00 0.00 H new ATOM 1042 N GLU A 70 -10.934 -3.224 5.880 1.00 0.00 N ATOM 1043 CA GLU A 70 -12.092 -2.860 5.013 1.00 0.00 C ATOM 1044 C GLU A 70 -13.302 -2.498 5.877 1.00 0.00 C ATOM 1045 O GLU A 70 -14.257 -3.244 5.970 1.00 0.00 O ATOM 1046 CB GLU A 70 -12.377 -4.114 4.186 1.00 0.00 C ATOM 1047 CG GLU A 70 -11.142 -4.469 3.353 1.00 0.00 C ATOM 1048 CD GLU A 70 -10.584 -5.817 3.816 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -11.326 -6.785 3.784 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -9.425 -5.857 4.195 1.00 0.00 O ATOM 0 H GLU A 70 -10.654 -4.204 5.843 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.882 -1.996 4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.637 -4.944 4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.233 -3.945 3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.404 -4.516 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.383 -3.694 3.459 1.00 0.00 H new ATOM 1057 N ARG A 71 -13.268 -1.358 6.512 1.00 0.00 N ATOM 1058 CA ARG A 71 -14.415 -0.946 7.373 1.00 0.00 C ATOM 1059 C ARG A 71 -14.171 0.456 7.941 1.00 0.00 C ATOM 1060 O ARG A 71 -15.080 1.250 8.070 1.00 0.00 O ATOM 1061 CB ARG A 71 -14.459 -1.979 8.501 1.00 0.00 C ATOM 1062 CG ARG A 71 -15.906 -2.419 8.738 1.00 0.00 C ATOM 1063 CD ARG A 71 -16.665 -1.310 9.471 1.00 0.00 C ATOM 1064 NE ARG A 71 -17.787 -2.004 10.161 1.00 0.00 N ATOM 1065 CZ ARG A 71 -18.025 -1.767 11.422 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -17.975 -0.544 11.877 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -18.312 -2.752 12.229 1.00 0.00 N ATOM 0 H ARG A 71 -12.495 -0.693 6.472 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.353 -0.908 6.819 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.844 -2.841 8.243 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.044 -1.553 9.414 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.391 -2.638 7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.926 -3.337 9.325 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.021 -0.795 10.184 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.035 -0.558 8.774 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.370 -2.665 9.648 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.750 0.226 11.247 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.161 -0.359 12.863 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.350 -3.707 11.874 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.498 -2.566 13.215 1.00 0.00 H new ATOM 1081 N ASP A 72 -12.949 0.764 8.282 1.00 0.00 N ATOM 1082 CA ASP A 72 -12.646 2.114 8.842 1.00 0.00 C ATOM 1083 C ASP A 72 -13.190 3.205 7.915 1.00 0.00 C ATOM 1084 O ASP A 72 -13.197 3.059 6.708 1.00 0.00 O ATOM 1085 CB ASP A 72 -11.120 2.180 8.918 1.00 0.00 C ATOM 1086 CG ASP A 72 -10.691 3.571 9.386 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -10.601 3.770 10.587 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -10.458 4.415 8.536 1.00 0.00 O ATOM 0 H ASP A 72 -12.147 0.140 8.197 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.107 2.270 9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.747 1.422 9.607 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.687 1.964 7.941 1.00 0.00 H new ATOM 1093 N ALA A 73 -13.648 4.295 8.467 1.00 0.00 N ATOM 1094 CA ALA A 73 -14.194 5.389 7.613 1.00 0.00 C ATOM 1095 C ALA A 73 -13.682 6.750 8.093 1.00 0.00 C ATOM 1096 O ALA A 73 -13.673 7.032 9.276 1.00 0.00 O ATOM 1097 CB ALA A 73 -15.711 5.299 7.779 1.00 0.00 C ATOM 0 H ALA A 73 -13.668 4.476 9.471 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.888 5.288 6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -16.189 6.074 7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -16.056 4.319 7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -15.971 5.439 8.828 1.00 0.00 H new ATOM 1103 N VAL A 74 -13.260 7.587 7.172 1.00 0.00 N ATOM 1104 CA VAL A 74 -12.739 8.953 7.521 1.00 0.00 C ATOM 1105 C VAL A 74 -11.936 8.942 8.829 1.00 0.00 C ATOM 1106 O VAL A 74 -12.137 9.767 9.698 1.00 0.00 O ATOM 1107 CB VAL A 74 -13.981 9.840 7.650 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -14.846 9.362 8.818 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -13.549 11.286 7.897 1.00 0.00 C ATOM 0 H VAL A 74 -13.254 7.378 6.174 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.052 9.318 6.758 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.560 9.781 6.728 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -15.727 9.998 8.903 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.158 8.332 8.643 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -14.271 9.414 9.742 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -14.432 11.919 7.989 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.967 11.340 8.817 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.940 11.632 7.061 1.00 0.00 H new ATOM 1119 N GLN A 75 -11.028 8.018 8.973 1.00 0.00 N ATOM 1120 CA GLN A 75 -10.214 7.961 10.221 1.00 0.00 C ATOM 1121 C GLN A 75 -8.735 8.186 9.895 1.00 0.00 C ATOM 1122 O GLN A 75 -8.033 7.278 9.494 1.00 0.00 O ATOM 1123 CB GLN A 75 -10.436 6.554 10.776 1.00 0.00 C ATOM 1124 CG GLN A 75 -10.442 6.602 12.306 1.00 0.00 C ATOM 1125 CD GLN A 75 -11.878 6.479 12.816 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -12.704 7.330 12.551 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -12.213 5.447 13.541 1.00 0.00 N ATOM 0 H GLN A 75 -10.814 7.300 8.281 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.501 8.729 10.939 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.381 6.153 10.411 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.649 5.885 10.426 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.832 5.793 12.708 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.001 7.537 12.653 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.519 4.733 13.763 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.169 5.354 13.886 1.00 0.00 H new ATOM 1136 N GLY A 76 -8.256 9.388 10.063 1.00 0.00 N ATOM 1137 CA GLY A 76 -6.824 9.667 9.761 1.00 0.00 C ATOM 1138 C GLY A 76 -6.020 9.676 11.062 1.00 0.00 C ATOM 1139 O GLY A 76 -6.553 9.900 12.131 1.00 0.00 O ATOM 0 H GLY A 76 -8.794 10.188 10.396 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.430 8.910 9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.729 10.628 9.256 1.00 0.00 H new ATOM 1143 N GLY A 77 -4.741 9.432 10.981 1.00 0.00 N ATOM 1144 CA GLY A 77 -3.905 9.425 12.215 1.00 0.00 C ATOM 1145 C GLY A 77 -3.362 8.015 12.468 1.00 0.00 C ATOM 1146 O GLY A 77 -2.424 7.829 13.216 1.00 0.00 O ATOM 0 H GLY A 77 -4.239 9.237 10.115 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.079 10.129 12.110 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.498 9.755 13.068 1.00 0.00 H new ATOM 1150 N GLN A 78 -3.943 7.020 11.853 1.00 0.00 N ATOM 1151 CA GLN A 78 -3.456 5.626 12.065 1.00 0.00 C ATOM 1152 C GLN A 78 -2.536 5.205 10.914 1.00 0.00 C ATOM 1153 O GLN A 78 -2.612 5.732 9.822 1.00 0.00 O ATOM 1154 CB GLN A 78 -4.720 4.766 12.083 1.00 0.00 C ATOM 1155 CG GLN A 78 -4.364 3.344 12.519 1.00 0.00 C ATOM 1156 CD GLN A 78 -5.562 2.714 13.233 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -6.374 3.409 13.812 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -5.708 1.417 13.216 1.00 0.00 N ATOM 0 H GLN A 78 -4.733 7.112 11.214 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.879 5.525 12.984 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.454 5.194 12.766 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.176 4.751 11.093 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.088 2.745 11.651 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.500 3.361 13.183 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.027 0.833 12.730 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.503 0.987 13.688 1.00 0.00 H new ATOM 1167 N GLY A 79 -1.668 4.260 11.152 1.00 0.00 N ATOM 1168 CA GLY A 79 -0.744 3.806 10.075 1.00 0.00 C ATOM 1169 C GLY A 79 -1.557 3.247 8.906 1.00 0.00 C ATOM 1170 O GLY A 79 -2.717 2.915 9.047 1.00 0.00 O ATOM 0 H GLY A 79 -1.559 3.782 12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.126 4.638 9.737 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.068 3.042 10.459 1.00 0.00 H new ATOM 1174 N LEU A 80 -0.958 3.141 7.751 1.00 0.00 N ATOM 1175 CA LEU A 80 -1.698 2.603 6.574 1.00 0.00 C ATOM 1176 C LEU A 80 -1.176 1.210 6.211 1.00 0.00 C ATOM 1177 O LEU A 80 -1.861 0.219 6.370 1.00 0.00 O ATOM 1178 CB LEU A 80 -1.417 3.594 5.443 1.00 0.00 C ATOM 1179 CG LEU A 80 -2.439 4.731 5.494 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -1.876 5.956 4.771 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -3.733 4.284 4.809 1.00 0.00 C ATOM 0 H LEU A 80 0.011 3.404 7.572 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.765 2.500 6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.407 3.994 5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.469 3.087 4.480 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.647 4.987 6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.604 6.766 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.954 6.274 5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.668 5.701 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.462 5.094 4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.525 4.029 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.134 3.411 5.324 1.00 0.00 H new ATOM 1193 N ILE A 81 0.031 1.126 5.724 1.00 0.00 N ATOM 1194 CA ILE A 81 0.595 -0.203 5.352 1.00 0.00 C ATOM 1195 C ILE A 81 2.075 -0.276 5.741 1.00 0.00 C ATOM 1196 O ILE A 81 2.779 0.714 5.731 1.00 0.00 O ATOM 1197 CB ILE A 81 0.431 -0.291 3.832 1.00 0.00 C ATOM 1198 CG1 ILE A 81 -1.060 -0.333 3.483 1.00 0.00 C ATOM 1199 CG2 ILE A 81 1.112 -1.559 3.311 1.00 0.00 C ATOM 1200 CD1 ILE A 81 -1.697 -1.576 4.109 1.00 0.00 C ATOM 0 H ILE A 81 0.652 1.920 5.567 1.00 0.00 H new ATOM 0 HA ILE A 81 0.093 -1.024 5.863 1.00 0.00 H new ATOM 0 HB ILE A 81 0.891 0.581 3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.555 0.566 3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.191 -0.350 2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.993 -1.618 2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.173 -1.530 3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.655 -2.434 3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.758 -1.606 3.860 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.208 -2.470 3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.579 -1.539 5.192 1.00 0.00 H new ATOM 1212 N LYS A 82 2.550 -1.441 6.084 1.00 0.00 N ATOM 1213 CA LYS A 82 3.983 -1.577 6.474 1.00 0.00 C ATOM 1214 C LYS A 82 4.852 -1.800 5.233 1.00 0.00 C ATOM 1215 O LYS A 82 5.066 -2.917 4.806 1.00 0.00 O ATOM 1216 CB LYS A 82 4.031 -2.801 7.388 1.00 0.00 C ATOM 1217 CG LYS A 82 5.321 -2.773 8.212 1.00 0.00 C ATOM 1218 CD LYS A 82 4.986 -2.509 9.680 1.00 0.00 C ATOM 1219 CE LYS A 82 5.325 -3.747 10.513 1.00 0.00 C ATOM 1220 NZ LYS A 82 5.179 -3.311 11.930 1.00 0.00 N ATOM 0 H LYS A 82 2.009 -2.305 6.111 1.00 0.00 H new ATOM 0 HA LYS A 82 4.361 -0.683 6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.165 -2.808 8.049 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.986 -3.714 6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.848 -3.722 8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.988 -1.998 7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.548 -1.649 10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.929 -2.266 9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.652 -4.573 10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.338 -4.094 10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.874 -4.117 12.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.092 -2.957 12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.469 -2.554 11.989 1.00 0.00 H new ATOM 1234 N ILE A 83 5.353 -0.746 4.651 1.00 0.00 N ATOM 1235 CA ILE A 83 6.208 -0.899 3.439 1.00 0.00 C ATOM 1236 C ILE A 83 7.554 -0.203 3.650 1.00 0.00 C ATOM 1237 O ILE A 83 8.034 0.517 2.797 1.00 0.00 O ATOM 1238 CB ILE A 83 5.426 -0.223 2.313 1.00 0.00 C ATOM 1239 CG1 ILE A 83 5.211 1.254 2.658 1.00 0.00 C ATOM 1240 CG2 ILE A 83 4.069 -0.909 2.149 1.00 0.00 C ATOM 1241 CD1 ILE A 83 4.573 1.970 1.465 1.00 0.00 C ATOM 0 H ILE A 83 5.208 0.215 4.962 1.00 0.00 H new ATOM 0 HA ILE A 83 6.423 -1.944 3.215 1.00 0.00 H new ATOM 0 HB ILE A 83 5.988 -0.303 1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.570 1.344 3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.163 1.722 2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.512 -0.426 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.220 -1.961 1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.506 -0.830 3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.420 3.021 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.231 1.892 0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.613 1.508 1.234 1.00 0.00 H new ATOM 1253 N GLY A 84 8.169 -0.411 4.783 1.00 0.00 N ATOM 1254 CA GLY A 84 9.484 0.240 5.047 1.00 0.00 C ATOM 1255 C GLY A 84 10.614 -0.680 4.581 1.00 0.00 C ATOM 1256 O GLY A 84 10.342 -1.846 4.347 1.00 0.00 O ATOM 1257 OXT GLY A 84 11.730 -0.203 4.466 1.00 0.00 O ATOM 0 H GLY A 84 7.818 -1.003 5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.540 1.195 4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.589 0.452 6.111 1.00 0.00 H new