USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 458 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 29 SER OG : rot -99:sc= -2.01! USER MOD Set 1.2: A 37 SER OG : rot -176:sc= -4.02! USER MOD Set 1.3: A 70 ASN : amide:sc= -16.7! C(o=-23!,f=-19!) USER MOD Single : A 14 LYS NZ :NH3+ 156:sc= -0.0894 (180deg=-0.789) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 89:sc= 1.06 USER MOD Single : A 24 GLN : amide:sc= -6.01! C(o=-6!,f=-2.3!) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.683 USER MOD Single : A 32 LYS NZ :NH3+ -156:sc= -1.13 (180deg=-2.09!) USER MOD Single : A 33 ASN : amide:sc=-0.00928 X(o=-0.0093,f=-0.26) USER MOD Single : A 40 LYS NZ :NH3+ -121:sc= -1.26 (180deg=-4.97!) USER MOD Single : A 42 GLN : amide:sc= -2.04 K(o=-2,f=-3.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.055 USER MOD Single : A 51 GLN : amide:sc= -3.29! C(o=-3.3!,f=-2.2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 31:sc= -1.42 USER MOD Single : A 56 LYS NZ :NH3+ 156:sc= -0.109 (180deg=-0.76) USER MOD Single : A 58 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 59 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-0.13) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.5 K(o=-1.5,f=-5.9!) USER MOD Single : A 66 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.22) USER MOD Single : A 68 LYS NZ :NH3+ 172:sc= -3.86 (180deg=-4.17!) USER MOD ----------------------------------------------------------------- ATOM 200 N GLY A 13 9.251 9.065 -5.237 1.00 0.00 N ATOM 201 CA GLY A 13 10.316 8.411 -4.493 1.00 0.00 C ATOM 202 C GLY A 13 9.731 7.586 -3.374 1.00 0.00 C ATOM 203 O GLY A 13 8.606 7.149 -3.456 1.00 0.00 O ATOM 0 HA2 GLY A 13 10.899 7.775 -5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.999 9.157 -4.087 1.00 0.00 H new ATOM 207 N LYS A 14 10.492 7.379 -2.325 1.00 0.00 N ATOM 208 CA LYS A 14 9.993 6.593 -1.214 1.00 0.00 C ATOM 209 C LYS A 14 8.758 7.260 -0.614 1.00 0.00 C ATOM 210 O LYS A 14 7.804 6.588 -0.238 1.00 0.00 O ATOM 211 CB LYS A 14 11.083 6.454 -0.154 1.00 0.00 C ATOM 212 CG LYS A 14 12.235 5.612 -0.714 1.00 0.00 C ATOM 213 CD LYS A 14 11.800 4.148 -0.861 1.00 0.00 C ATOM 214 CE LYS A 14 12.993 3.308 -1.318 1.00 0.00 C ATOM 215 NZ LYS A 14 14.068 3.368 -0.289 1.00 0.00 N ATOM 0 H LYS A 14 11.442 7.735 -2.214 1.00 0.00 H new ATOM 0 HA LYS A 14 9.715 5.602 -1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.447 7.438 0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.677 5.984 0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.545 6.005 -1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.098 5.678 -0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.420 3.773 0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.987 4.069 -1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.684 2.275 -1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.368 3.678 -2.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.675 2.528 -0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.640 4.224 -0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.640 3.394 0.659 1.00 0.00 H new ATOM 229 N ALA A 15 8.782 8.581 -0.526 1.00 0.00 N ATOM 230 CA ALA A 15 7.638 9.292 0.038 1.00 0.00 C ATOM 231 C ALA A 15 6.382 9.054 -0.818 1.00 0.00 C ATOM 232 O ALA A 15 5.379 8.575 -0.328 1.00 0.00 O ATOM 233 CB ALA A 15 7.946 10.789 0.099 1.00 0.00 C ATOM 0 H ALA A 15 9.557 9.172 -0.828 1.00 0.00 H new ATOM 0 HA ALA A 15 7.450 8.916 1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.092 11.319 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.822 10.955 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.144 11.161 -0.906 1.00 0.00 H new ATOM 239 N ALA A 16 6.460 9.381 -2.099 1.00 0.00 N ATOM 240 CA ALA A 16 5.325 9.190 -3.013 1.00 0.00 C ATOM 241 C ALA A 16 4.981 7.716 -3.144 1.00 0.00 C ATOM 242 O ALA A 16 3.817 7.335 -3.156 1.00 0.00 O ATOM 243 CB ALA A 16 5.666 9.761 -4.391 1.00 0.00 C ATOM 0 H ALA A 16 7.291 9.779 -2.536 1.00 0.00 H new ATOM 0 HA ALA A 16 4.462 9.714 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.821 9.616 -5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.880 10.826 -4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.540 9.248 -4.791 1.00 0.00 H new ATOM 249 N VAL A 17 6.014 6.911 -3.264 1.00 0.00 N ATOM 250 CA VAL A 17 5.803 5.479 -3.415 1.00 0.00 C ATOM 251 C VAL A 17 5.009 4.971 -2.229 1.00 0.00 C ATOM 252 O VAL A 17 3.988 4.315 -2.389 1.00 0.00 O ATOM 253 CB VAL A 17 7.120 4.724 -3.500 1.00 0.00 C ATOM 254 CG1 VAL A 17 6.831 3.242 -3.328 1.00 0.00 C ATOM 255 CG2 VAL A 17 7.758 4.942 -4.877 1.00 0.00 C ATOM 0 H VAL A 17 6.989 7.209 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 17 5.258 5.309 -4.344 1.00 0.00 H new ATOM 0 HB VAL A 17 7.800 5.081 -2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.763 2.680 -3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.365 3.072 -2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.157 2.909 -4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.701 4.398 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.084 4.577 -5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.943 6.006 -5.028 1.00 0.00 H new ATOM 265 N VAL A 18 5.470 5.278 -1.044 1.00 0.00 N ATOM 266 CA VAL A 18 4.776 4.850 0.148 1.00 0.00 C ATOM 267 C VAL A 18 3.376 5.416 0.143 1.00 0.00 C ATOM 268 O VAL A 18 2.430 4.763 0.549 1.00 0.00 O ATOM 269 CB VAL A 18 5.508 5.348 1.386 1.00 0.00 C ATOM 270 CG1 VAL A 18 4.641 5.100 2.618 1.00 0.00 C ATOM 271 CG2 VAL A 18 6.839 4.596 1.535 1.00 0.00 C ATOM 0 H VAL A 18 6.318 5.820 -0.876 1.00 0.00 H new ATOM 0 HA VAL A 18 4.738 3.761 0.165 1.00 0.00 H new ATOM 0 HB VAL A 18 5.707 6.415 1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.162 5.455 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.697 5.635 2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.444 4.032 2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.362 4.954 2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.644 3.528 1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.457 4.772 0.654 1.00 0.00 H new ATOM 281 N LYS A 19 3.270 6.653 -0.293 1.00 0.00 N ATOM 282 CA LYS A 19 1.991 7.340 -0.330 1.00 0.00 C ATOM 283 C LYS A 19 1.009 6.636 -1.255 1.00 0.00 C ATOM 284 O LYS A 19 -0.167 6.530 -0.929 1.00 0.00 O ATOM 285 CB LYS A 19 2.182 8.801 -0.768 1.00 0.00 C ATOM 286 CG LYS A 19 2.633 9.707 0.416 1.00 0.00 C ATOM 287 CD LYS A 19 3.297 8.899 1.550 1.00 0.00 C ATOM 288 CE LYS A 19 4.124 9.840 2.428 1.00 0.00 C ATOM 289 NZ LYS A 19 4.588 9.109 3.640 1.00 0.00 N ATOM 0 H LYS A 19 4.057 7.208 -0.629 1.00 0.00 H new ATOM 0 HA LYS A 19 1.574 7.323 0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.925 8.847 -1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.248 9.181 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.333 10.458 0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.769 10.242 0.811 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.536 8.400 2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.935 8.120 1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.980 10.218 1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.526 10.704 2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.150 9.748 4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.765 8.769 4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.174 8.299 3.354 1.00 0.00 H new ATOM 303 N VAL A 20 1.473 6.139 -2.400 1.00 0.00 N ATOM 304 CA VAL A 20 0.560 5.444 -3.290 1.00 0.00 C ATOM 305 C VAL A 20 0.239 4.082 -2.727 1.00 0.00 C ATOM 306 O VAL A 20 -0.870 3.587 -2.893 1.00 0.00 O ATOM 307 CB VAL A 20 1.105 5.316 -4.714 1.00 0.00 C ATOM 308 CG1 VAL A 20 1.127 6.695 -5.365 1.00 0.00 C ATOM 309 CG2 VAL A 20 2.514 4.736 -4.694 1.00 0.00 C ATOM 0 H VAL A 20 2.439 6.202 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.349 6.042 -3.355 1.00 0.00 H new ATOM 0 HB VAL A 20 0.462 4.646 -5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.514 6.612 -6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.115 7.100 -5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.767 7.361 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.887 4.651 -5.715 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.169 5.392 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.495 3.749 -4.232 1.00 0.00 H new ATOM 319 N VAL A 21 1.203 3.480 -2.038 1.00 0.00 N ATOM 320 CA VAL A 21 0.961 2.184 -1.443 1.00 0.00 C ATOM 321 C VAL A 21 -0.112 2.332 -0.360 1.00 0.00 C ATOM 322 O VAL A 21 -1.100 1.604 -0.357 1.00 0.00 O ATOM 323 CB VAL A 21 2.271 1.635 -0.853 1.00 0.00 C ATOM 324 CG1 VAL A 21 2.014 0.329 -0.091 1.00 0.00 C ATOM 325 CG2 VAL A 21 3.263 1.371 -1.990 1.00 0.00 C ATOM 0 H VAL A 21 2.136 3.863 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 21 0.608 1.479 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 21 2.681 2.370 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.953 -0.044 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.311 0.514 0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.595 -0.413 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.194 0.982 -1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.839 0.642 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.463 2.301 -2.522 1.00 0.00 H new ATOM 335 N GLU A 22 0.087 3.302 0.553 1.00 0.00 N ATOM 336 CA GLU A 22 -0.893 3.543 1.627 1.00 0.00 C ATOM 337 C GLU A 22 -2.205 4.000 1.048 1.00 0.00 C ATOM 338 O GLU A 22 -3.260 3.536 1.448 1.00 0.00 O ATOM 339 CB GLU A 22 -0.387 4.667 2.537 1.00 0.00 C ATOM 340 CG GLU A 22 0.816 4.209 3.343 1.00 0.00 C ATOM 341 CD GLU A 22 1.447 5.403 4.052 1.00 0.00 C ATOM 342 OE1 GLU A 22 1.130 6.520 3.677 1.00 0.00 O ATOM 343 OE2 GLU A 22 2.232 5.185 4.956 1.00 0.00 O ATOM 0 H GLU A 22 0.899 3.919 0.569 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.025 2.613 2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.118 5.535 1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.184 4.981 3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.512 3.459 4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.547 3.736 2.687 1.00 0.00 H new ATOM 350 N SER A 23 -2.140 4.975 0.161 1.00 0.00 N ATOM 351 CA SER A 23 -3.338 5.550 -0.400 1.00 0.00 C ATOM 352 C SER A 23 -4.167 4.574 -1.229 1.00 0.00 C ATOM 353 O SER A 23 -5.400 4.552 -1.107 1.00 0.00 O ATOM 354 CB SER A 23 -2.972 6.747 -1.271 1.00 0.00 C ATOM 355 OG SER A 23 -2.445 7.784 -0.451 1.00 0.00 O ATOM 0 H SER A 23 -1.270 5.382 -0.183 1.00 0.00 H new ATOM 0 HA SER A 23 -3.954 5.846 0.449 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.238 6.454 -2.022 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.852 7.103 -1.807 1.00 0.00 H new ATOM 0 HG SER A 23 -1.476 7.668 -0.359 1.00 0.00 H new ATOM 361 N GLN A 24 -3.525 3.761 -2.064 1.00 0.00 N ATOM 362 CA GLN A 24 -4.289 2.830 -2.870 1.00 0.00 C ATOM 363 C GLN A 24 -4.824 1.728 -1.987 1.00 0.00 C ATOM 364 O GLN A 24 -5.891 1.173 -2.234 1.00 0.00 O ATOM 365 CB GLN A 24 -3.426 2.222 -4.001 1.00 0.00 C ATOM 366 CG GLN A 24 -2.498 1.116 -3.456 1.00 0.00 C ATOM 367 CD GLN A 24 -1.670 0.509 -4.596 1.00 0.00 C ATOM 368 OE1 GLN A 24 -0.761 1.152 -5.118 1.00 0.00 O ATOM 369 NE2 GLN A 24 -1.945 -0.708 -5.012 1.00 0.00 N ATOM 0 H GLN A 24 -2.514 3.730 -2.194 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.114 3.372 -3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.073 1.810 -4.775 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.829 3.005 -4.468 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.835 1.529 -2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.091 0.339 -2.974 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.700 -1.238 -4.576 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.403 -1.122 -5.771 1.00 0.00 H new ATOM 378 N ALA A 25 -4.051 1.408 -0.966 1.00 0.00 N ATOM 379 CA ALA A 25 -4.412 0.358 -0.049 1.00 0.00 C ATOM 380 C ALA A 25 -5.557 0.746 0.851 1.00 0.00 C ATOM 381 O ALA A 25 -6.518 0.011 0.986 1.00 0.00 O ATOM 382 CB ALA A 25 -3.200 0.032 0.770 1.00 0.00 C ATOM 0 H ALA A 25 -3.165 1.867 -0.755 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.749 -0.507 -0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.441 -0.762 1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.395 -0.299 0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.881 0.919 1.317 1.00 0.00 H new ATOM 388 N GLU A 26 -5.418 1.869 1.500 1.00 0.00 N ATOM 389 CA GLU A 26 -6.450 2.307 2.405 1.00 0.00 C ATOM 390 C GLU A 26 -7.769 2.133 1.716 1.00 0.00 C ATOM 391 O GLU A 26 -8.728 1.637 2.308 1.00 0.00 O ATOM 392 CB GLU A 26 -6.252 3.766 2.796 1.00 0.00 C ATOM 393 CG GLU A 26 -7.630 4.421 2.989 1.00 0.00 C ATOM 394 CD GLU A 26 -7.464 5.848 3.499 1.00 0.00 C ATOM 395 OE1 GLU A 26 -7.121 6.006 4.659 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.681 6.763 2.721 1.00 0.00 O ATOM 0 H GLU A 26 -4.614 2.491 1.423 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.412 1.715 3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.670 3.834 3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.690 4.291 2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.175 4.425 2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.222 3.840 3.696 1.00 0.00 H new ATOM 403 N LEU A 27 -7.819 2.501 0.442 1.00 0.00 N ATOM 404 CA LEU A 27 -9.042 2.315 -0.281 1.00 0.00 C ATOM 405 C LEU A 27 -9.302 0.903 -0.520 1.00 0.00 C ATOM 406 O LEU A 27 -10.430 0.530 -0.550 1.00 0.00 O ATOM 407 CB LEU A 27 -9.100 2.989 -1.604 1.00 0.00 C ATOM 408 CG LEU A 27 -9.023 4.511 -1.444 1.00 0.00 C ATOM 409 CD1 LEU A 27 -9.017 5.169 -2.825 1.00 0.00 C ATOM 410 CD2 LEU A 27 -10.223 5.014 -0.642 1.00 0.00 C ATOM 0 H LEU A 27 -7.050 2.914 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.791 2.771 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.277 2.643 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.024 2.719 -2.114 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.107 4.769 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.962 6.252 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.154 4.819 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.931 4.906 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.160 6.097 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.144 4.755 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.222 4.550 0.344 1.00 0.00 H new ATOM 422 N TYR A 28 -8.289 0.102 -0.719 1.00 0.00 N ATOM 423 CA TYR A 28 -8.579 -1.262 -0.965 1.00 0.00 C ATOM 424 C TYR A 28 -9.670 -1.698 0.042 1.00 0.00 C ATOM 425 O TYR A 28 -10.708 -2.150 -0.349 1.00 0.00 O ATOM 426 CB TYR A 28 -7.343 -2.146 -0.891 1.00 0.00 C ATOM 427 CG TYR A 28 -6.928 -2.532 -2.299 1.00 0.00 C ATOM 428 CD1 TYR A 28 -6.752 -1.549 -3.287 1.00 0.00 C ATOM 429 CD2 TYR A 28 -6.736 -3.876 -2.620 1.00 0.00 C ATOM 430 CE1 TYR A 28 -6.390 -1.918 -4.587 1.00 0.00 C ATOM 431 CE2 TYR A 28 -6.372 -4.246 -3.920 1.00 0.00 C ATOM 432 CZ TYR A 28 -6.201 -3.266 -4.904 1.00 0.00 C ATOM 433 OH TYR A 28 -5.846 -3.633 -6.185 1.00 0.00 O ATOM 0 H TYR A 28 -7.303 0.364 -0.715 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.944 -1.379 -1.985 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.531 -1.618 -0.391 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.553 -3.039 -0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.896 -0.507 -3.043 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.869 -4.634 -1.862 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.257 -1.161 -5.346 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.223 -5.288 -4.163 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.754 -4.608 -6.233 1.00 0.00 H new ATOM 443 N SER A 29 -9.498 -1.339 1.309 1.00 0.00 N ATOM 444 CA SER A 29 -10.556 -1.556 2.331 1.00 0.00 C ATOM 445 C SER A 29 -11.845 -0.856 1.920 1.00 0.00 C ATOM 446 O SER A 29 -12.920 -1.455 1.930 1.00 0.00 O ATOM 447 CB SER A 29 -10.148 -0.964 3.685 1.00 0.00 C ATOM 448 OG SER A 29 -9.638 -1.986 4.529 1.00 0.00 O ATOM 0 H SER A 29 -8.650 -0.899 1.667 1.00 0.00 H new ATOM 0 HA SER A 29 -10.699 -2.634 2.411 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.394 -0.191 3.540 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.007 -0.487 4.156 1.00 0.00 H new ATOM 0 HG SER A 29 -10.341 -2.283 5.144 1.00 0.00 H new ATOM 454 N LEU A 30 -11.723 0.420 1.547 1.00 0.00 N ATOM 455 CA LEU A 30 -12.883 1.185 1.122 1.00 0.00 C ATOM 456 C LEU A 30 -13.577 0.402 0.034 1.00 0.00 C ATOM 457 O LEU A 30 -14.661 -0.143 0.239 1.00 0.00 O ATOM 458 CB LEU A 30 -12.446 2.554 0.598 1.00 0.00 C ATOM 459 CG LEU A 30 -13.630 3.259 -0.086 1.00 0.00 C ATOM 460 CD1 LEU A 30 -13.662 4.727 0.360 1.00 0.00 C ATOM 461 CD2 LEU A 30 -13.481 3.188 -1.625 1.00 0.00 C ATOM 0 H LEU A 30 -10.842 0.934 1.532 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.561 1.348 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -12.074 3.165 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.625 2.437 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.558 2.762 0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.498 5.235 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.781 4.776 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.730 5.214 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.326 3.691 -2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.554 3.678 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.458 2.145 -1.941 1.00 0.00 H new ATOM 473 N GLU A 31 -12.927 0.317 -1.111 1.00 0.00 N ATOM 474 CA GLU A 31 -13.461 -0.436 -2.206 1.00 0.00 C ATOM 475 C GLU A 31 -13.600 -1.923 -1.759 1.00 0.00 C ATOM 476 O GLU A 31 -14.561 -2.253 -1.070 1.00 0.00 O ATOM 477 CB GLU A 31 -12.577 -0.284 -3.467 1.00 0.00 C ATOM 478 CG GLU A 31 -11.093 -0.247 -3.103 1.00 0.00 C ATOM 479 CD GLU A 31 -10.239 -0.621 -4.313 1.00 0.00 C ATOM 480 OE1 GLU A 31 -10.767 -1.237 -5.222 1.00 0.00 O ATOM 481 OE2 GLU A 31 -9.067 -0.283 -4.311 1.00 0.00 O ATOM 0 H GLU A 31 -12.029 0.764 -1.297 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.446 -0.056 -2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.766 -1.113 -4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.847 0.630 -3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.823 0.749 -2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.896 -0.938 -2.283 1.00 0.00 H new ATOM 488 N LYS A 32 -12.613 -2.786 -2.127 1.00 0.00 N ATOM 489 CA LYS A 32 -12.576 -4.226 -1.726 1.00 0.00 C ATOM 490 C LYS A 32 -13.656 -4.645 -0.760 1.00 0.00 C ATOM 491 O LYS A 32 -14.472 -5.515 -1.056 1.00 0.00 O ATOM 492 CB LYS A 32 -11.264 -4.581 -1.031 1.00 0.00 C ATOM 493 CG LYS A 32 -10.072 -4.307 -1.928 1.00 0.00 C ATOM 494 CD LYS A 32 -9.423 -5.653 -2.277 1.00 0.00 C ATOM 495 CE LYS A 32 -8.784 -6.278 -1.017 1.00 0.00 C ATOM 496 NZ LYS A 32 -8.448 -7.702 -1.293 1.00 0.00 N ATOM 0 H LYS A 32 -11.822 -2.507 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.712 -4.745 -2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.170 -4.004 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.274 -5.633 -0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.388 -3.790 -2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.356 -3.658 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.171 -6.330 -2.689 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.664 -5.511 -3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.885 -5.727 -0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.472 -6.211 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.409 -8.229 -0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.176 -8.118 -1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.524 -7.755 -1.767 1.00 0.00 H new ATOM 510 N ASN A 33 -13.550 -4.087 0.460 1.00 0.00 N ATOM 511 CA ASN A 33 -14.422 -4.465 1.556 1.00 0.00 C ATOM 512 C ASN A 33 -13.986 -5.853 1.995 1.00 0.00 C ATOM 513 O ASN A 33 -13.988 -6.771 1.179 1.00 0.00 O ATOM 514 CB ASN A 33 -15.912 -4.445 1.164 1.00 0.00 C ATOM 515 CG ASN A 33 -16.507 -3.078 1.481 1.00 0.00 C ATOM 516 OD1 ASN A 33 -16.831 -2.794 2.634 1.00 0.00 O ATOM 517 ND2 ASN A 33 -16.667 -2.208 0.522 1.00 0.00 N ATOM 0 H ASN A 33 -12.863 -3.372 0.699 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.333 -3.744 2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.022 -4.663 0.102 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.451 -5.222 1.706 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.061 -1.290 0.727 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.398 -2.446 -0.433 1.00 0.00 H new ATOM 524 N GLU A 34 -13.625 -5.977 3.292 1.00 0.00 N ATOM 525 CA GLU A 34 -13.172 -7.243 3.921 1.00 0.00 C ATOM 526 C GLU A 34 -12.090 -6.927 4.955 1.00 0.00 C ATOM 527 O GLU A 34 -12.379 -6.759 6.140 1.00 0.00 O ATOM 528 CB GLU A 34 -12.595 -8.253 2.909 1.00 0.00 C ATOM 529 CG GLU A 34 -13.686 -9.242 2.482 1.00 0.00 C ATOM 530 CD GLU A 34 -13.187 -10.091 1.319 1.00 0.00 C ATOM 531 OE1 GLU A 34 -12.013 -10.424 1.316 1.00 0.00 O ATOM 532 OE2 GLU A 34 -13.983 -10.392 0.446 1.00 0.00 O ATOM 0 H GLU A 34 -13.640 -5.191 3.942 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.050 -7.700 4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.207 -7.727 2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.758 -8.791 3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.958 -9.882 3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.586 -8.701 2.189 1.00 0.00 H new ATOM 539 N ASP A 35 -10.842 -6.840 4.488 1.00 0.00 N ATOM 540 CA ASP A 35 -9.704 -6.536 5.353 1.00 0.00 C ATOM 541 C ASP A 35 -8.576 -5.959 4.523 1.00 0.00 C ATOM 542 O ASP A 35 -8.835 -5.306 3.520 1.00 0.00 O ATOM 543 CB ASP A 35 -9.221 -7.792 6.088 1.00 0.00 C ATOM 544 CG ASP A 35 -10.400 -8.595 6.629 1.00 0.00 C ATOM 545 OD1 ASP A 35 -10.880 -9.458 5.913 1.00 0.00 O ATOM 546 OD2 ASP A 35 -10.806 -8.334 7.749 1.00 0.00 O ATOM 0 H ASP A 35 -10.595 -6.977 3.508 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.021 -5.807 6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.635 -8.412 5.410 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.563 -7.507 6.909 1.00 0.00 H new ATOM 551 N ALA A 36 -7.338 -6.167 4.997 1.00 0.00 N ATOM 552 CA ALA A 36 -6.127 -5.670 4.384 1.00 0.00 C ATOM 553 C ALA A 36 -6.220 -5.228 2.973 1.00 0.00 C ATOM 554 O ALA A 36 -7.068 -5.621 2.178 1.00 0.00 O ATOM 555 CB ALA A 36 -5.092 -6.731 4.346 1.00 0.00 C ATOM 0 H ALA A 36 -7.162 -6.705 5.846 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.898 -4.808 5.011 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.187 -6.340 3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.867 -7.056 5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.460 -7.578 3.767 1.00 0.00 H new ATOM 561 N SER A 37 -5.242 -4.446 2.678 1.00 0.00 N ATOM 562 CA SER A 37 -5.057 -3.933 1.404 1.00 0.00 C ATOM 563 C SER A 37 -3.661 -4.236 0.937 1.00 0.00 C ATOM 564 O SER A 37 -3.471 -4.929 -0.035 1.00 0.00 O ATOM 565 CB SER A 37 -5.207 -2.465 1.477 1.00 0.00 C ATOM 566 OG SER A 37 -4.643 -2.012 2.692 1.00 0.00 O ATOM 0 H SER A 37 -4.537 -4.148 3.352 1.00 0.00 H new ATOM 0 HA SER A 37 -5.781 -4.373 0.718 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.710 -1.992 0.630 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.260 -2.190 1.423 1.00 0.00 H new ATOM 0 HG SER A 37 -4.791 -1.047 2.782 1.00 0.00 H new ATOM 572 N LEU A 38 -2.693 -3.634 1.619 1.00 0.00 N ATOM 573 CA LEU A 38 -1.310 -3.743 1.271 1.00 0.00 C ATOM 574 C LEU A 38 -0.917 -5.058 0.676 1.00 0.00 C ATOM 575 O LEU A 38 -0.343 -5.075 -0.404 1.00 0.00 O ATOM 576 CB LEU A 38 -0.464 -3.500 2.511 1.00 0.00 C ATOM 577 CG LEU A 38 1.023 -3.310 2.151 1.00 0.00 C ATOM 578 CD1 LEU A 38 1.732 -4.673 2.027 1.00 0.00 C ATOM 579 CD2 LEU A 38 1.175 -2.536 0.842 1.00 0.00 C ATOM 0 H LEU A 38 -2.866 -3.052 2.438 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.137 -2.993 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.829 -2.616 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.569 -4.342 3.195 1.00 0.00 H new ATOM 0 HG LEU A 38 1.486 -2.737 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.780 -4.516 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.665 -5.206 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.253 -5.262 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.233 -2.416 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.688 -3.085 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.712 -1.554 0.944 1.00 0.00 H new ATOM 591 N ARG A 39 -1.140 -6.162 1.364 1.00 0.00 N ATOM 592 CA ARG A 39 -0.693 -7.408 0.823 1.00 0.00 C ATOM 593 C ARG A 39 -1.592 -7.887 -0.265 1.00 0.00 C ATOM 594 O ARG A 39 -1.199 -8.725 -1.040 1.00 0.00 O ATOM 595 CB ARG A 39 -0.596 -8.449 1.926 1.00 0.00 C ATOM 596 CG ARG A 39 0.284 -7.882 3.045 1.00 0.00 C ATOM 597 CD ARG A 39 0.366 -8.865 4.208 1.00 0.00 C ATOM 598 NE ARG A 39 -0.948 -9.043 4.819 1.00 0.00 N ATOM 599 CZ ARG A 39 -1.153 -9.935 5.791 1.00 0.00 C ATOM 600 NH1 ARG A 39 -0.170 -10.683 6.228 1.00 0.00 N ATOM 601 NH2 ARG A 39 -2.342 -10.060 6.313 1.00 0.00 N ATOM 0 H ARG A 39 -1.612 -6.213 2.267 1.00 0.00 H new ATOM 0 HA ARG A 39 0.295 -7.251 0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.588 -8.691 2.308 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.169 -9.374 1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.284 -7.678 2.662 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.124 -6.933 3.391 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.743 -9.825 3.855 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.073 -8.499 4.952 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.729 -8.472 4.495 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.762 -10.587 5.825 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.337 -11.362 6.971 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.110 -9.478 5.978 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.504 -10.740 7.056 1.00 0.00 H new ATOM 615 N LYS A 40 -2.802 -7.383 -0.295 1.00 0.00 N ATOM 616 CA LYS A 40 -3.766 -7.792 -1.290 1.00 0.00 C ATOM 617 C LYS A 40 -3.549 -7.074 -2.624 1.00 0.00 C ATOM 618 O LYS A 40 -3.457 -7.707 -3.656 1.00 0.00 O ATOM 619 CB LYS A 40 -5.112 -7.463 -0.787 1.00 0.00 C ATOM 620 CG LYS A 40 -5.717 -8.671 -0.058 1.00 0.00 C ATOM 621 CD LYS A 40 -4.702 -9.235 0.946 1.00 0.00 C ATOM 622 CE LYS A 40 -5.408 -10.211 1.893 1.00 0.00 C ATOM 623 NZ LYS A 40 -6.487 -9.500 2.648 1.00 0.00 N ATOM 0 H LYS A 40 -3.145 -6.684 0.363 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.652 -8.862 -1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.056 -6.611 -0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.756 -7.170 -1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.629 -8.375 0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.995 -9.440 -0.779 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.896 -9.744 0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.248 -8.424 1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.834 -11.038 1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.688 -10.640 2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.303 -9.574 3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.502 -8.498 2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.407 -9.934 2.430 1.00 0.00 H new ATOM 637 N LEU A 41 -3.455 -5.748 -2.604 1.00 0.00 N ATOM 638 CA LEU A 41 -3.216 -5.020 -3.835 1.00 0.00 C ATOM 639 C LEU A 41 -1.956 -5.535 -4.419 1.00 0.00 C ATOM 640 O LEU A 41 -1.819 -5.722 -5.624 1.00 0.00 O ATOM 641 CB LEU A 41 -3.056 -3.524 -3.584 1.00 0.00 C ATOM 642 CG LEU A 41 -2.276 -3.236 -2.290 1.00 0.00 C ATOM 643 CD1 LEU A 41 -1.086 -2.335 -2.599 1.00 0.00 C ATOM 644 CD2 LEU A 41 -3.203 -2.507 -1.376 1.00 0.00 C ATOM 0 H LEU A 41 -3.539 -5.171 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.067 -5.161 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.538 -3.068 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.040 -3.059 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.915 -4.162 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.535 -2.132 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.430 -2.831 -3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.441 -1.396 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.690 -2.281 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.523 -1.578 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.074 -3.128 -1.170 1.00 0.00 H new ATOM 656 N GLN A 42 -1.051 -5.797 -3.531 1.00 0.00 N ATOM 657 CA GLN A 42 0.188 -6.332 -3.858 1.00 0.00 C ATOM 658 C GLN A 42 -0.025 -7.773 -4.286 1.00 0.00 C ATOM 659 O GLN A 42 0.622 -8.272 -5.201 1.00 0.00 O ATOM 660 CB GLN A 42 1.007 -6.188 -2.626 1.00 0.00 C ATOM 661 CG GLN A 42 2.294 -6.895 -2.767 1.00 0.00 C ATOM 662 CD GLN A 42 2.431 -7.832 -1.595 1.00 0.00 C ATOM 663 OE1 GLN A 42 3.484 -7.909 -0.963 1.00 0.00 O ATOM 664 NE2 GLN A 42 1.398 -8.555 -1.271 1.00 0.00 N ATOM 0 H GLN A 42 -1.179 -5.631 -2.533 1.00 0.00 H new ATOM 0 HA GLN A 42 0.697 -5.838 -4.686 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.187 -5.132 -2.425 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.460 -6.586 -1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.326 -7.449 -3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.121 -6.185 -2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.533 -8.478 -1.806 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.453 -9.199 -0.482 1.00 0.00 H new ATOM 673 N ALA A 43 -0.949 -8.431 -3.592 1.00 0.00 N ATOM 674 CA ALA A 43 -1.273 -9.812 -3.895 1.00 0.00 C ATOM 675 C ALA A 43 -1.644 -9.891 -5.352 1.00 0.00 C ATOM 676 O ALA A 43 -1.304 -10.840 -6.059 1.00 0.00 O ATOM 677 CB ALA A 43 -2.475 -10.316 -3.135 1.00 0.00 C ATOM 0 H ALA A 43 -1.482 -8.029 -2.821 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.404 -10.412 -3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.667 -11.355 -3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.283 -10.249 -2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.345 -9.709 -3.386 1.00 0.00 H new ATOM 683 N ASP A 44 -2.334 -8.839 -5.796 1.00 0.00 N ATOM 684 CA ASP A 44 -2.742 -8.741 -7.177 1.00 0.00 C ATOM 685 C ASP A 44 -1.489 -8.669 -7.966 1.00 0.00 C ATOM 686 O ASP A 44 -1.349 -9.301 -9.015 1.00 0.00 O ATOM 687 CB ASP A 44 -3.603 -7.497 -7.423 1.00 0.00 C ATOM 688 CG ASP A 44 -4.170 -7.532 -8.840 1.00 0.00 C ATOM 689 OD1 ASP A 44 -3.743 -8.378 -9.610 1.00 0.00 O ATOM 690 OD2 ASP A 44 -5.022 -6.711 -9.135 1.00 0.00 O ATOM 0 H ASP A 44 -2.616 -8.051 -5.213 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.354 -9.597 -7.462 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.415 -7.457 -6.697 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.005 -6.596 -7.283 1.00 0.00 H new ATOM 695 N GLY A 45 -0.539 -7.920 -7.418 1.00 0.00 N ATOM 696 CA GLY A 45 0.739 -7.794 -8.023 1.00 0.00 C ATOM 697 C GLY A 45 1.097 -6.353 -8.372 1.00 0.00 C ATOM 698 O GLY A 45 2.229 -6.096 -8.783 1.00 0.00 O ATOM 0 H GLY A 45 -0.652 -7.396 -6.550 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.495 -8.197 -7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.766 -8.399 -8.930 1.00 0.00 H new ATOM 702 N ARG A 46 0.164 -5.398 -8.197 1.00 0.00 N ATOM 703 CA ARG A 46 0.434 -3.988 -8.478 1.00 0.00 C ATOM 704 C ARG A 46 1.816 -3.551 -8.035 1.00 0.00 C ATOM 705 O ARG A 46 2.666 -3.172 -8.840 1.00 0.00 O ATOM 706 CB ARG A 46 -0.584 -3.148 -7.697 1.00 0.00 C ATOM 707 CG ARG A 46 -2.003 -3.483 -8.124 1.00 0.00 C ATOM 708 CD ARG A 46 -2.941 -2.659 -7.270 1.00 0.00 C ATOM 709 NE ARG A 46 -2.928 -1.261 -7.689 1.00 0.00 N ATOM 710 CZ ARG A 46 -3.637 -0.838 -8.741 1.00 0.00 C ATOM 711 NH1 ARG A 46 -4.369 -1.676 -9.433 1.00 0.00 N ATOM 712 NH2 ARG A 46 -3.601 0.420 -9.081 1.00 0.00 N ATOM 0 H ARG A 46 -0.781 -5.584 -7.862 1.00 0.00 H new ATOM 0 HA ARG A 46 0.365 -3.849 -9.557 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.469 -3.330 -6.629 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.391 -2.088 -7.862 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.149 -3.258 -9.180 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.201 -4.547 -7.994 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.953 -3.057 -7.345 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.647 -2.733 -6.223 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.364 -0.590 -7.167 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.402 -2.661 -9.171 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.906 -1.343 -10.234 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.034 1.077 -8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.140 0.747 -9.883 1.00 0.00 H new ATOM 726 N ILE A 47 1.979 -3.533 -6.722 1.00 0.00 N ATOM 727 CA ILE A 47 3.189 -3.064 -6.097 1.00 0.00 C ATOM 728 C ILE A 47 4.110 -4.161 -5.690 1.00 0.00 C ATOM 729 O ILE A 47 4.992 -3.921 -4.895 1.00 0.00 O ATOM 730 CB ILE A 47 2.802 -2.255 -4.884 1.00 0.00 C ATOM 731 CG1 ILE A 47 2.125 -3.121 -3.846 1.00 0.00 C ATOM 732 CG2 ILE A 47 1.815 -1.197 -5.311 1.00 0.00 C ATOM 733 CD1 ILE A 47 2.024 -2.312 -2.560 1.00 0.00 C ATOM 0 H ILE A 47 1.267 -3.847 -6.063 1.00 0.00 H new ATOM 0 HA ILE A 47 3.732 -2.466 -6.829 1.00 0.00 H new ATOM 0 HB ILE A 47 3.705 -1.819 -4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.134 -3.422 -4.187 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.696 -4.034 -3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.523 -0.601 -4.446 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.275 -0.551 -6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.932 -1.674 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.539 -2.912 -1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.023 -2.033 -2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.438 -1.411 -2.742 1.00 0.00 H new ATOM 745 N THR A 48 3.920 -5.348 -6.243 1.00 0.00 N ATOM 746 CA THR A 48 4.756 -6.505 -5.902 1.00 0.00 C ATOM 747 C THR A 48 5.266 -6.453 -4.438 1.00 0.00 C ATOM 748 O THR A 48 4.911 -5.583 -3.668 1.00 0.00 O ATOM 749 CB THR A 48 5.928 -6.526 -6.876 1.00 0.00 C ATOM 750 OG1 THR A 48 6.657 -7.736 -6.727 1.00 0.00 O ATOM 751 CG2 THR A 48 6.851 -5.327 -6.620 1.00 0.00 C ATOM 0 H THR A 48 3.194 -5.543 -6.933 1.00 0.00 H new ATOM 0 HA THR A 48 4.161 -7.415 -5.983 1.00 0.00 H new ATOM 0 HB THR A 48 5.542 -6.463 -7.893 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.408 -7.745 -7.356 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.684 -5.353 -7.322 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.291 -4.402 -6.755 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.234 -5.374 -5.600 1.00 0.00 H new ATOM 759 N GLU A 49 6.037 -7.418 -4.028 1.00 0.00 N ATOM 760 CA GLU A 49 6.477 -7.426 -2.640 1.00 0.00 C ATOM 761 C GLU A 49 7.687 -6.537 -2.375 1.00 0.00 C ATOM 762 O GLU A 49 8.021 -6.296 -1.234 1.00 0.00 O ATOM 763 CB GLU A 49 6.780 -8.855 -2.191 1.00 0.00 C ATOM 764 CG GLU A 49 8.007 -9.377 -2.940 1.00 0.00 C ATOM 765 CD GLU A 49 8.289 -10.819 -2.535 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.546 -11.341 -1.720 1.00 0.00 O ATOM 767 OE2 GLU A 49 9.244 -11.380 -3.045 1.00 0.00 O ATOM 0 H GLU A 49 6.372 -8.191 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 49 5.653 -7.012 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.960 -8.879 -1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.922 -9.498 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.839 -9.319 -4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.872 -8.752 -2.718 1.00 0.00 H new ATOM 774 N GLU A 50 8.358 -6.082 -3.404 1.00 0.00 N ATOM 775 CA GLU A 50 9.554 -5.260 -3.198 1.00 0.00 C ATOM 776 C GLU A 50 9.268 -3.918 -2.491 1.00 0.00 C ATOM 777 O GLU A 50 9.934 -3.562 -1.515 1.00 0.00 O ATOM 778 CB GLU A 50 10.202 -4.986 -4.554 1.00 0.00 C ATOM 779 CG GLU A 50 11.481 -4.167 -4.360 1.00 0.00 C ATOM 780 CD GLU A 50 12.157 -3.929 -5.705 1.00 0.00 C ATOM 781 OE1 GLU A 50 11.630 -4.394 -6.702 1.00 0.00 O ATOM 782 OE2 GLU A 50 13.192 -3.284 -5.719 1.00 0.00 O ATOM 0 H GLU A 50 8.114 -6.255 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 50 10.218 -5.822 -2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.434 -5.927 -5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.507 -4.446 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.244 -3.213 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.161 -4.693 -3.690 1.00 0.00 H new ATOM 789 N GLN A 51 8.266 -3.198 -2.966 1.00 0.00 N ATOM 790 CA GLN A 51 7.908 -1.941 -2.366 1.00 0.00 C ATOM 791 C GLN A 51 6.871 -2.146 -1.306 1.00 0.00 C ATOM 792 O GLN A 51 6.818 -1.400 -0.336 1.00 0.00 O ATOM 793 CB GLN A 51 7.419 -0.956 -3.412 1.00 0.00 C ATOM 794 CG GLN A 51 6.414 -1.636 -4.312 1.00 0.00 C ATOM 795 CD GLN A 51 5.654 -0.582 -5.103 1.00 0.00 C ATOM 796 OE1 GLN A 51 5.791 -0.499 -6.324 1.00 0.00 O ATOM 797 NE2 GLN A 51 4.868 0.240 -4.471 1.00 0.00 N ATOM 0 H GLN A 51 7.692 -3.469 -3.764 1.00 0.00 H new ATOM 0 HA GLN A 51 8.800 -1.520 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.964 -0.092 -2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.259 -0.587 -4.000 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.922 -2.321 -4.991 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.721 -2.231 -3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.759 0.166 -3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.361 0.959 -4.987 1.00 0.00 H new ATOM 806 N ALA A 52 6.035 -3.168 -1.481 1.00 0.00 N ATOM 807 CA ALA A 52 5.023 -3.443 -0.523 1.00 0.00 C ATOM 808 C ALA A 52 5.669 -3.814 0.757 1.00 0.00 C ATOM 809 O ALA A 52 5.220 -3.396 1.823 1.00 0.00 O ATOM 810 CB ALA A 52 4.110 -4.536 -1.002 1.00 0.00 C ATOM 0 H ALA A 52 6.056 -3.803 -2.279 1.00 0.00 H new ATOM 0 HA ALA A 52 4.410 -2.554 -0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.345 -4.727 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.635 -4.231 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.688 -5.445 -1.170 1.00 0.00 H new ATOM 816 N LYS A 53 6.774 -4.575 0.688 1.00 0.00 N ATOM 817 CA LYS A 53 7.441 -4.899 1.896 1.00 0.00 C ATOM 818 C LYS A 53 8.145 -3.686 2.395 1.00 0.00 C ATOM 819 O LYS A 53 8.285 -3.494 3.592 1.00 0.00 O ATOM 820 CB LYS A 53 8.406 -6.059 1.772 1.00 0.00 C ATOM 821 CG LYS A 53 7.745 -7.264 2.408 1.00 0.00 C ATOM 822 CD LYS A 53 8.653 -8.488 2.273 1.00 0.00 C ATOM 823 CE LYS A 53 7.977 -9.697 2.920 1.00 0.00 C ATOM 824 NZ LYS A 53 8.857 -10.891 2.779 1.00 0.00 N ATOM 0 H LYS A 53 7.187 -4.949 -0.166 1.00 0.00 H new ATOM 0 HA LYS A 53 6.682 -5.228 2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.638 -6.256 0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.348 -5.830 2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.542 -7.065 3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.785 -7.458 1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.855 -8.690 1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.614 -8.296 2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.782 -9.498 3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.013 -9.884 2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.398 -11.714 3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.021 -11.084 1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.767 -10.709 3.249 1.00 0.00 H new ATOM 838 N ALA A 54 8.554 -2.828 1.466 1.00 0.00 N ATOM 839 CA ALA A 54 9.189 -1.610 1.866 1.00 0.00 C ATOM 840 C ALA A 54 8.190 -0.884 2.733 1.00 0.00 C ATOM 841 O ALA A 54 8.548 -0.275 3.732 1.00 0.00 O ATOM 842 CB ALA A 54 9.560 -0.755 0.646 1.00 0.00 C ATOM 0 H ALA A 54 8.454 -2.961 0.460 1.00 0.00 H new ATOM 0 HA ALA A 54 10.117 -1.810 2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.041 0.165 0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.245 -1.312 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.658 -0.510 0.085 1.00 0.00 H new ATOM 848 N TYR A 55 6.920 -0.940 2.360 1.00 0.00 N ATOM 849 CA TYR A 55 5.941 -0.264 3.172 1.00 0.00 C ATOM 850 C TYR A 55 5.624 -1.067 4.413 1.00 0.00 C ATOM 851 O TYR A 55 5.244 -0.512 5.442 1.00 0.00 O ATOM 852 CB TYR A 55 4.691 0.076 2.418 1.00 0.00 C ATOM 853 CG TYR A 55 3.731 0.675 3.400 1.00 0.00 C ATOM 854 CD1 TYR A 55 4.023 1.918 3.964 1.00 0.00 C ATOM 855 CD2 TYR A 55 2.570 -0.008 3.768 1.00 0.00 C ATOM 856 CE1 TYR A 55 3.162 2.480 4.900 1.00 0.00 C ATOM 857 CE2 TYR A 55 1.697 0.560 4.705 1.00 0.00 C ATOM 858 CZ TYR A 55 1.999 1.807 5.273 1.00 0.00 C ATOM 859 OH TYR A 55 1.154 2.369 6.206 1.00 0.00 O ATOM 0 H TYR A 55 6.562 -1.425 1.537 1.00 0.00 H new ATOM 0 HA TYR A 55 6.387 0.684 3.473 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.906 0.778 1.613 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.265 -0.815 1.958 1.00 0.00 H new ATOM 0 HD1 TYR A 55 4.920 2.444 3.673 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.346 -0.970 3.332 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.394 3.439 5.339 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.794 0.040 4.989 1.00 0.00 H new ATOM 0 HH TYR A 55 1.199 3.346 6.141 1.00 0.00 H new ATOM 869 N LYS A 56 5.828 -2.366 4.335 1.00 0.00 N ATOM 870 CA LYS A 56 5.606 -3.206 5.475 1.00 0.00 C ATOM 871 C LYS A 56 6.592 -2.830 6.518 1.00 0.00 C ATOM 872 O LYS A 56 6.292 -2.819 7.714 1.00 0.00 O ATOM 873 CB LYS A 56 5.823 -4.658 5.107 1.00 0.00 C ATOM 874 CG LYS A 56 4.491 -5.384 4.908 1.00 0.00 C ATOM 875 CD LYS A 56 4.751 -6.801 4.387 1.00 0.00 C ATOM 876 CE LYS A 56 5.317 -7.670 5.515 1.00 0.00 C ATOM 877 NZ LYS A 56 4.286 -7.835 6.580 1.00 0.00 N ATOM 0 H LYS A 56 6.145 -2.853 3.497 1.00 0.00 H new ATOM 0 HA LYS A 56 4.584 -3.079 5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.414 -4.720 4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.396 -5.153 5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.944 -5.427 5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.868 -4.835 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.825 -7.236 4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.452 -6.769 3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.612 -8.644 5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.213 -7.208 5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.479 -8.704 7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.315 -7.017 7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.344 -7.900 6.144 1.00 0.00 H new ATOM 891 N GLU A 57 7.786 -2.495 6.051 1.00 0.00 N ATOM 892 CA GLU A 57 8.814 -2.107 6.938 1.00 0.00 C ATOM 893 C GLU A 57 8.713 -0.620 7.283 1.00 0.00 C ATOM 894 O GLU A 57 9.156 -0.180 8.334 1.00 0.00 O ATOM 895 CB GLU A 57 10.187 -2.506 6.390 1.00 0.00 C ATOM 896 CG GLU A 57 10.491 -1.834 5.066 1.00 0.00 C ATOM 897 CD GLU A 57 10.895 -0.379 5.289 1.00 0.00 C ATOM 898 OE1 GLU A 57 11.233 -0.044 6.411 1.00 0.00 O ATOM 899 OE2 GLU A 57 10.871 0.378 4.331 1.00 0.00 O ATOM 0 H GLU A 57 8.043 -2.491 5.064 1.00 0.00 H new ATOM 0 HA GLU A 57 8.687 -2.646 7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.957 -2.242 7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.226 -3.588 6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.294 -2.367 4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.616 -1.880 4.418 1.00 0.00 H new ATOM 906 N TYR A 58 8.066 0.142 6.421 1.00 0.00 N ATOM 907 CA TYR A 58 7.876 1.551 6.717 1.00 0.00 C ATOM 908 C TYR A 58 6.953 1.680 7.902 1.00 0.00 C ATOM 909 O TYR A 58 7.221 2.419 8.849 1.00 0.00 O ATOM 910 CB TYR A 58 7.278 2.353 5.541 1.00 0.00 C ATOM 911 CG TYR A 58 8.398 2.882 4.662 1.00 0.00 C ATOM 912 CD1 TYR A 58 8.522 2.469 3.331 1.00 0.00 C ATOM 913 CD2 TYR A 58 9.316 3.799 5.195 1.00 0.00 C ATOM 914 CE1 TYR A 58 9.561 2.971 2.536 1.00 0.00 C ATOM 915 CE2 TYR A 58 10.352 4.299 4.402 1.00 0.00 C ATOM 916 CZ TYR A 58 10.476 3.887 3.072 1.00 0.00 C ATOM 917 OH TYR A 58 11.499 4.382 2.292 1.00 0.00 O ATOM 0 H TYR A 58 7.673 -0.177 5.535 1.00 0.00 H new ATOM 0 HA TYR A 58 8.863 1.966 6.921 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.612 1.718 4.956 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.678 3.180 5.920 1.00 0.00 H new ATOM 0 HD1 TYR A 58 7.817 1.764 2.916 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.222 4.120 6.222 1.00 0.00 H new ATOM 0 HE1 TYR A 58 9.657 2.651 1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.057 5.004 4.817 1.00 0.00 H new ATOM 0 HH TYR A 58 12.040 5.006 2.820 1.00 0.00 H new ATOM 927 N HIS A 59 5.844 0.961 7.822 1.00 0.00 N ATOM 928 CA HIS A 59 4.853 1.012 8.883 1.00 0.00 C ATOM 929 C HIS A 59 5.199 0.088 10.050 1.00 0.00 C ATOM 930 O HIS A 59 5.641 0.529 11.110 1.00 0.00 O ATOM 931 CB HIS A 59 3.470 0.674 8.327 1.00 0.00 C ATOM 932 CG HIS A 59 2.454 0.795 9.426 1.00 0.00 C ATOM 933 ND1 HIS A 59 2.114 2.017 9.984 1.00 0.00 N ATOM 934 CD2 HIS A 59 1.691 -0.138 10.073 1.00 0.00 C ATOM 935 CE1 HIS A 59 1.183 1.786 10.929 1.00 0.00 C ATOM 936 NE2 HIS A 59 0.889 0.488 11.023 1.00 0.00 N ATOM 0 H HIS A 59 5.610 0.344 7.044 1.00 0.00 H new ATOM 0 HA HIS A 59 4.849 2.030 9.274 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.219 1.348 7.508 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.465 -0.337 7.921 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.708 -1.200 9.876 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.730 2.556 11.536 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.220 0.049 11.655 1.00 0.00 H new ATOM 945 N ASP A 60 4.960 -1.193 9.830 1.00 0.00 N ATOM 946 CA ASP A 60 5.198 -2.220 10.834 1.00 0.00 C ATOM 947 C ASP A 60 6.662 -2.498 11.054 1.00 0.00 C ATOM 948 O ASP A 60 7.004 -3.190 12.003 1.00 0.00 O ATOM 949 CB ASP A 60 4.552 -3.517 10.391 1.00 0.00 C ATOM 950 CG ASP A 60 3.035 -3.388 10.431 1.00 0.00 C ATOM 951 OD1 ASP A 60 2.552 -2.573 11.197 1.00 0.00 O ATOM 952 OD2 ASP A 60 2.379 -4.098 9.688 1.00 0.00 O ATOM 0 H ASP A 60 4.594 -1.553 8.948 1.00 0.00 H new ATOM 0 HA ASP A 60 4.772 -1.847 11.765 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.877 -3.767 9.381 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.872 -4.332 11.040 1.00 0.00 H new ATOM 957 N LYS A 61 7.513 -2.052 10.130 1.00 0.00 N ATOM 958 CA LYS A 61 8.917 -2.373 10.213 1.00 0.00 C ATOM 959 C LYS A 61 9.062 -3.875 9.878 1.00 0.00 C ATOM 960 O LYS A 61 10.054 -4.537 10.199 1.00 0.00 O ATOM 961 CB LYS A 61 9.479 -1.976 11.574 1.00 0.00 C ATOM 962 CG LYS A 61 9.756 -3.204 12.449 1.00 0.00 C ATOM 963 CD LYS A 61 9.664 -2.809 13.927 1.00 0.00 C ATOM 964 CE LYS A 61 9.924 -4.036 14.806 1.00 0.00 C ATOM 965 NZ LYS A 61 9.736 -3.667 16.240 1.00 0.00 N ATOM 0 H LYS A 61 7.249 -1.476 9.330 1.00 0.00 H new ATOM 0 HA LYS A 61 9.510 -1.806 9.496 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.401 -1.411 11.437 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.774 -1.318 12.082 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.037 -3.992 12.227 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.746 -3.605 12.229 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.391 -2.029 14.151 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.678 -2.397 14.143 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.243 -4.843 14.534 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.937 -4.405 14.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.912 -4.499 16.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.403 -2.910 16.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.762 -3.334 16.388 1.00 0.00 H new ATOM 979 N ASN A 62 8.013 -4.361 9.179 1.00 0.00 N ATOM 980 CA ASN A 62 7.887 -5.723 8.716 1.00 0.00 C ATOM 981 C ASN A 62 7.276 -6.603 9.817 1.00 0.00 C ATOM 982 O ASN A 62 6.057 -6.766 9.872 1.00 0.00 O ATOM 983 CB ASN A 62 9.232 -6.287 8.207 1.00 0.00 C ATOM 984 CG ASN A 62 9.055 -6.828 6.797 1.00 0.00 C ATOM 985 OD1 ASN A 62 8.383 -6.208 5.971 1.00 0.00 O ATOM 986 ND2 ASN A 62 9.614 -7.954 6.466 1.00 0.00 N ATOM 0 H ASN A 62 7.214 -3.781 8.923 1.00 0.00 H new ATOM 0 HA ASN A 62 7.211 -5.729 7.861 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.992 -5.506 8.215 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.581 -7.078 8.870 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.496 -8.324 5.523 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.170 -8.467 7.149 1.00 0.00 H new ATOM 993 N GLY A 63 8.105 -7.155 10.697 1.00 0.00 N ATOM 994 CA GLY A 63 7.595 -7.987 11.780 1.00 0.00 C ATOM 995 C GLY A 63 6.658 -9.066 11.245 1.00 0.00 C ATOM 996 O GLY A 63 6.967 -9.746 10.266 1.00 0.00 O ATOM 0 H GLY A 63 9.119 -7.044 10.683 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.427 -8.452 12.309 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.065 -7.366 12.502 1.00 0.00 H new ATOM 1000 N GLY A 64 5.503 -9.208 11.895 1.00 0.00 N ATOM 1001 CA GLY A 64 4.512 -10.196 11.483 1.00 0.00 C ATOM 1002 C GLY A 64 3.101 -9.601 11.490 1.00 0.00 C ATOM 1003 O GLY A 64 2.112 -10.334 11.513 1.00 0.00 O ATOM 0 H GLY A 64 5.233 -8.652 12.706 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.751 -10.560 10.484 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.551 -11.055 12.153 1.00 0.00 H new ATOM 1007 N ALA A 65 3.017 -8.272 11.483 1.00 0.00 N ATOM 1008 CA ALA A 65 1.720 -7.594 11.501 1.00 0.00 C ATOM 1009 C ALA A 65 0.936 -7.865 10.221 1.00 0.00 C ATOM 1010 O ALA A 65 1.513 -8.095 9.157 1.00 0.00 O ATOM 1011 CB ALA A 65 1.916 -6.090 11.674 1.00 0.00 C ATOM 0 H ALA A 65 3.823 -7.647 11.465 1.00 0.00 H new ATOM 0 HA ALA A 65 1.149 -7.987 12.343 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.945 -5.596 11.686 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.433 -5.896 12.614 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.510 -5.703 10.846 1.00 0.00 H new ATOM 1017 N ASN A 66 -0.387 -7.847 10.344 1.00 0.00 N ATOM 1018 CA ASN A 66 -1.269 -8.101 9.209 1.00 0.00 C ATOM 1019 C ASN A 66 -2.043 -6.847 8.798 1.00 0.00 C ATOM 1020 O ASN A 66 -3.077 -6.953 8.143 1.00 0.00 O ATOM 1021 CB ASN A 66 -2.270 -9.190 9.580 1.00 0.00 C ATOM 1022 CG ASN A 66 -3.049 -8.750 10.811 1.00 0.00 C ATOM 1023 OD1 ASN A 66 -2.679 -9.090 11.936 1.00 0.00 O ATOM 1024 ND2 ASN A 66 -4.086 -7.978 10.668 1.00 0.00 N ATOM 0 H ASN A 66 -0.874 -7.659 11.220 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.647 -8.413 8.370 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.951 -9.374 8.749 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.750 -10.127 9.779 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.596 -7.652 11.489 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.389 -7.699 9.735 1.00 0.00 H new ATOM 1031 N ARG A 67 -1.533 -5.664 9.140 1.00 0.00 N ATOM 1032 CA ARG A 67 -2.192 -4.448 8.740 1.00 0.00 C ATOM 1033 C ARG A 67 -1.335 -3.270 8.953 1.00 0.00 C ATOM 1034 O ARG A 67 -0.352 -3.289 9.695 1.00 0.00 O ATOM 1035 CB ARG A 67 -3.564 -4.225 9.377 1.00 0.00 C ATOM 1036 CG ARG A 67 -4.428 -3.359 8.445 1.00 0.00 C ATOM 1037 CD ARG A 67 -5.180 -4.240 7.468 1.00 0.00 C ATOM 1038 NE ARG A 67 -4.239 -5.075 6.712 1.00 0.00 N ATOM 1039 CZ ARG A 67 -3.431 -4.562 5.755 1.00 0.00 C ATOM 1040 NH1 ARG A 67 -3.457 -3.294 5.482 1.00 0.00 N ATOM 1041 NH2 ARG A 67 -2.600 -5.342 5.120 1.00 0.00 N ATOM 0 H ARG A 67 -0.680 -5.535 9.684 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.373 -4.577 7.673 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.053 -5.182 9.558 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.452 -3.736 10.345 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.132 -2.769 9.032 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.798 -2.655 7.902 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.887 -4.872 8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.761 -3.623 6.783 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.192 -6.074 6.914 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.090 -2.676 5.990 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.845 -2.915 4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.560 -6.336 5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.990 -4.958 4.398 1.00 0.00 H new ATOM 1055 N LYS A 68 -1.672 -2.283 8.204 1.00 0.00 N ATOM 1056 CA LYS A 68 -0.948 -1.112 8.158 1.00 0.00 C ATOM 1057 C LYS A 68 -1.749 -0.024 7.500 1.00 0.00 C ATOM 1058 O LYS A 68 -1.615 1.148 7.853 1.00 0.00 O ATOM 1059 CB LYS A 68 0.215 -1.423 7.283 1.00 0.00 C ATOM 1060 CG LYS A 68 -0.242 -2.461 6.214 1.00 0.00 C ATOM 1061 CD LYS A 68 0.408 -3.818 6.501 1.00 0.00 C ATOM 1062 CE LYS A 68 1.452 -4.121 5.438 1.00 0.00 C ATOM 1063 NZ LYS A 68 2.325 -2.927 5.231 1.00 0.00 N ATOM 0 H LYS A 68 -2.490 -2.291 7.595 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.669 -0.775 9.156 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.580 -0.517 6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.039 -1.824 7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.328 -2.557 6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.036 -2.117 5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.872 -3.809 7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.351 -4.600 6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.056 -4.976 5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.963 -4.392 4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.117 -3.180 4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.771 -2.163 4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.696 -2.605 6.148 1.00 0.00 H new ATOM 1077 N VAL A 69 -2.552 -0.396 6.490 1.00 0.00 N ATOM 1078 CA VAL A 69 -3.286 0.591 5.786 1.00 0.00 C ATOM 1079 C VAL A 69 -4.633 0.099 5.382 1.00 0.00 C ATOM 1080 O VAL A 69 -4.996 0.174 4.212 1.00 0.00 O ATOM 1081 CB VAL A 69 -2.515 0.976 4.533 1.00 0.00 C ATOM 1082 CG1 VAL A 69 -1.278 1.779 4.903 1.00 0.00 C ATOM 1083 CG2 VAL A 69 -2.079 -0.313 3.820 1.00 0.00 C ATOM 0 H VAL A 69 -2.688 -1.355 6.171 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.420 1.447 6.448 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.149 1.582 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.735 2.048 3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.577 2.685 5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.635 1.180 5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.524 -0.059 2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.444 -0.899 4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.960 -0.896 3.552 1.00 0.00 H new ATOM 1093 N ASN A 70 -5.364 -0.430 6.321 1.00 0.00 N ATOM 1094 CA ASN A 70 -6.658 -0.959 6.011 1.00 0.00 C ATOM 1095 C ASN A 70 -7.304 -1.469 7.277 1.00 0.00 C ATOM 1096 O ASN A 70 -6.744 -1.299 8.359 1.00 0.00 O ATOM 1097 CB ASN A 70 -6.462 -2.067 5.010 1.00 0.00 C ATOM 1098 CG ASN A 70 -7.133 -1.760 3.726 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -7.169 -0.615 3.288 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -7.682 -2.727 3.091 1.00 0.00 N ATOM 0 H ASN A 70 -5.088 -0.506 7.300 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.314 -0.197 5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.397 -2.220 4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.856 -2.999 5.415 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.159 -2.551 2.207 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.643 -3.673 3.470 1.00 0.00 H new ATOM 1107 N ASP A 71 -8.479 -2.081 7.162 1.00 0.00 N ATOM 1108 CA ASP A 71 -9.154 -2.564 8.346 1.00 0.00 C ATOM 1109 C ASP A 71 -10.448 -3.284 7.976 1.00 0.00 C ATOM 1110 O ASP A 71 -10.975 -3.988 8.822 1.00 0.00 O ATOM 1111 CB ASP A 71 -9.462 -1.367 9.250 1.00 0.00 C ATOM 1112 CG ASP A 71 -9.908 -1.851 10.628 1.00 0.00 C ATOM 1113 OD1 ASP A 71 -9.132 -2.535 11.273 1.00 0.00 O ATOM 1114 OD2 ASP A 71 -11.021 -1.531 11.015 1.00 0.00 O ATOM 1115 OXT ASP A 71 -10.893 -3.122 6.852 1.00 0.00 O ATOM 0 H ASP A 71 -8.967 -2.248 6.282 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.512 -3.275 8.866 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.578 -0.737 9.346 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.243 -0.754 8.801 1.00 0.00 H new