USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 885 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 79 SER OG : rot -86:sc= -0.794! USER MOD Set 1.2: A 82 THR OG1 : rot -100:sc= 0.507 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 171:sc= -1.37! USER MOD Single : A 23 TYR OH : rot -140:sc= -0.0459 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -96:sc= 1.07 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.052) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.47 K(o=-1.5,f=-3.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 147:sc= -3.23! (180deg=-6.33!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.487 X(o=-0.49,f=-0.91) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.128) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -143:sc= 1.58 (180deg=0.472) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0484 USER MOD Single : A 72 MET CE :methyl 161:sc= -1.61 (180deg=-2.38!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.748 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.137) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0459 USER MOD Single : A 84 ASN : amide:sc= -0.493 X(o=-0.49,f=-0.33) USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 92 ASN : amide:sc= -0.0186 K(o=-0.019,f=-1.5!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0452 X(o=-0.045,f=0) USER MOD Single : A 98 THR OG1 : rot -130:sc= -1.47! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 108 MET CE :methyl -176:sc= 0 (180deg=-0.0204) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HE2:sc= -2.4! C(o=-2.4!,f=-11!) USER MOD Single : B 9 SER OG : rot -130:sc= -0.205 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 0.736 -12.499 -5.635 1.00 0.00 N ATOM 223 CA ILE A 14 2.010 -11.745 -5.297 1.00 0.00 C ATOM 224 C ILE A 14 1.692 -10.313 -4.789 1.00 0.00 C ATOM 225 O ILE A 14 2.386 -9.793 -3.935 1.00 0.00 O ATOM 226 CB ILE A 14 2.856 -11.729 -6.602 1.00 0.00 C ATOM 227 CG1 ILE A 14 4.340 -11.492 -6.264 1.00 0.00 C ATOM 228 CG2 ILE A 14 2.363 -10.652 -7.581 1.00 0.00 C ATOM 229 CD1 ILE A 14 4.539 -10.124 -5.602 1.00 0.00 C ATOM 0 HA ILE A 14 2.561 -12.225 -4.488 1.00 0.00 H new ATOM 0 HB ILE A 14 2.743 -12.699 -7.086 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.695 -12.278 -5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.938 -11.551 -7.173 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.977 -10.670 -8.481 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.324 -10.850 -7.846 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.437 -9.671 -7.111 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.595 -9.981 -5.373 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.205 -9.339 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.959 -10.078 -4.681 1.00 0.00 H new ATOM 241 N GLU A 15 0.643 -9.683 -5.291 1.00 0.00 N ATOM 242 CA GLU A 15 0.297 -8.293 -4.800 1.00 0.00 C ATOM 243 C GLU A 15 0.151 -8.298 -3.267 1.00 0.00 C ATOM 244 O GLU A 15 0.496 -7.337 -2.613 1.00 0.00 O ATOM 245 CB GLU A 15 -1.040 -7.894 -5.458 1.00 0.00 C ATOM 246 CG GLU A 15 -0.971 -6.436 -5.917 1.00 0.00 C ATOM 247 CD GLU A 15 -2.336 -6.006 -6.460 1.00 0.00 C ATOM 248 OE1 GLU A 15 -2.954 -6.800 -7.149 1.00 0.00 O ATOM 249 OE2 GLU A 15 -2.738 -4.889 -6.179 1.00 0.00 O ATOM 0 H GLU A 15 0.021 -10.061 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 15 1.082 -7.584 -5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.247 -8.544 -6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.859 -8.025 -4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.681 -5.795 -5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.209 -6.322 -6.688 1.00 0.00 H new ATOM 256 N GLY A 16 -0.341 -9.375 -2.682 1.00 0.00 N ATOM 257 CA GLY A 16 -0.477 -9.419 -1.191 1.00 0.00 C ATOM 258 C GLY A 16 0.904 -9.230 -0.542 1.00 0.00 C ATOM 259 O GLY A 16 1.024 -8.576 0.477 1.00 0.00 O ATOM 0 H GLY A 16 -0.650 -10.215 -3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.158 -8.637 -0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.908 -10.372 -0.883 1.00 0.00 H new ATOM 263 N ARG A 17 1.952 -9.783 -1.125 1.00 0.00 N ATOM 264 CA ARG A 17 3.323 -9.602 -0.521 1.00 0.00 C ATOM 265 C ARG A 17 3.670 -8.109 -0.393 1.00 0.00 C ATOM 266 O ARG A 17 4.461 -7.743 0.446 1.00 0.00 O ATOM 267 CB ARG A 17 4.320 -10.297 -1.462 1.00 0.00 C ATOM 268 CG ARG A 17 4.047 -11.802 -1.473 1.00 0.00 C ATOM 269 CD ARG A 17 5.363 -12.559 -1.674 1.00 0.00 C ATOM 270 NE ARG A 17 5.818 -12.908 -0.300 1.00 0.00 N ATOM 271 CZ ARG A 17 5.748 -14.143 0.117 1.00 0.00 C ATOM 272 NH1 ARG A 17 6.749 -14.956 -0.077 1.00 0.00 N ATOM 273 NH2 ARG A 17 4.674 -14.565 0.729 1.00 0.00 N ATOM 0 H ARG A 17 1.920 -10.342 -1.978 1.00 0.00 H new ATOM 0 HA ARG A 17 3.360 -10.031 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.228 -9.893 -2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.341 -10.104 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.581 -12.105 -0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.347 -12.050 -2.271 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.216 -13.453 -2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.099 -11.942 -2.189 1.00 0.00 H new ATOM 0 HE ARG A 17 6.184 -12.182 0.316 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.588 -14.627 -0.555 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.693 -15.921 0.249 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.891 -13.930 0.881 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.619 -15.530 1.055 1.00 0.00 H new ATOM 287 N TYR A 18 3.096 -7.236 -1.204 1.00 0.00 N ATOM 288 CA TYR A 18 3.435 -5.770 -1.067 1.00 0.00 C ATOM 289 C TYR A 18 3.137 -5.297 0.365 1.00 0.00 C ATOM 290 O TYR A 18 3.893 -4.528 0.931 1.00 0.00 O ATOM 291 CB TYR A 18 2.545 -5.003 -2.065 1.00 0.00 C ATOM 292 CG TYR A 18 3.195 -4.931 -3.431 1.00 0.00 C ATOM 293 CD1 TYR A 18 3.849 -6.047 -3.975 1.00 0.00 C ATOM 294 CD2 TYR A 18 3.124 -3.740 -4.163 1.00 0.00 C ATOM 295 CE1 TYR A 18 4.434 -5.965 -5.245 1.00 0.00 C ATOM 296 CE2 TYR A 18 3.705 -3.660 -5.432 1.00 0.00 C ATOM 297 CZ TYR A 18 4.361 -4.772 -5.974 1.00 0.00 C ATOM 298 OH TYR A 18 4.935 -4.693 -7.226 1.00 0.00 O ATOM 0 H TYR A 18 2.425 -7.466 -1.937 1.00 0.00 H new ATOM 0 HA TYR A 18 4.491 -5.595 -1.272 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.576 -5.495 -2.145 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.361 -3.995 -1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.901 -6.969 -3.415 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.619 -2.881 -3.746 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.942 -6.822 -5.662 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.648 -2.740 -5.995 1.00 0.00 H new ATOM 0 HH TYR A 18 4.793 -3.796 -7.595 1.00 0.00 H new ATOM 308 N ALA A 19 2.055 -5.757 0.962 1.00 0.00 N ATOM 309 CA ALA A 19 1.754 -5.322 2.370 1.00 0.00 C ATOM 310 C ALA A 19 2.638 -6.098 3.352 1.00 0.00 C ATOM 311 O ALA A 19 3.115 -5.542 4.325 1.00 0.00 O ATOM 312 CB ALA A 19 0.273 -5.631 2.642 1.00 0.00 C ATOM 0 H ALA A 19 1.382 -6.400 0.546 1.00 0.00 H new ATOM 0 HA ALA A 19 1.953 -4.258 2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.019 -5.328 3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.349 -5.084 1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.098 -6.701 2.528 1.00 0.00 H new ATOM 318 N THR A 20 2.870 -7.375 3.111 1.00 0.00 N ATOM 319 CA THR A 20 3.738 -8.153 4.058 1.00 0.00 C ATOM 320 C THR A 20 5.221 -7.812 3.849 1.00 0.00 C ATOM 321 O THR A 20 5.998 -7.874 4.785 1.00 0.00 O ATOM 322 CB THR A 20 3.456 -9.644 3.811 1.00 0.00 C ATOM 323 OG1 THR A 20 2.818 -9.806 2.551 1.00 0.00 O ATOM 324 CG2 THR A 20 2.543 -10.170 4.926 1.00 0.00 C ATOM 0 H THR A 20 2.504 -7.900 2.317 1.00 0.00 H new ATOM 0 HA THR A 20 3.510 -7.897 5.093 1.00 0.00 H new ATOM 0 HB THR A 20 4.392 -10.202 3.810 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.770 -10.759 2.329 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.337 -11.227 4.759 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.036 -10.044 5.890 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.606 -9.613 4.922 1.00 0.00 H new ATOM 332 N ALA A 21 5.630 -7.413 2.658 1.00 0.00 N ATOM 333 CA ALA A 21 7.068 -7.033 2.470 1.00 0.00 C ATOM 334 C ALA A 21 7.294 -5.587 2.951 1.00 0.00 C ATOM 335 O ALA A 21 8.418 -5.194 3.204 1.00 0.00 O ATOM 336 CB ALA A 21 7.369 -7.161 0.969 1.00 0.00 C ATOM 0 H ALA A 21 5.042 -7.337 1.828 1.00 0.00 H new ATOM 0 HA ALA A 21 7.729 -7.678 3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.409 -6.893 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.196 -8.189 0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.716 -6.492 0.409 1.00 0.00 H new ATOM 342 N LEU A 22 6.244 -4.794 3.115 1.00 0.00 N ATOM 343 CA LEU A 22 6.444 -3.397 3.618 1.00 0.00 C ATOM 344 C LEU A 22 6.196 -3.383 5.123 1.00 0.00 C ATOM 345 O LEU A 22 6.957 -2.793 5.870 1.00 0.00 O ATOM 346 CB LEU A 22 5.422 -2.514 2.890 1.00 0.00 C ATOM 347 CG LEU A 22 5.580 -1.056 3.350 1.00 0.00 C ATOM 348 CD1 LEU A 22 6.286 -0.243 2.263 1.00 0.00 C ATOM 349 CD2 LEU A 22 4.201 -0.448 3.622 1.00 0.00 C ATOM 0 H LEU A 22 5.277 -5.056 2.924 1.00 0.00 H new ATOM 0 HA LEU A 22 7.454 -3.032 3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.568 -2.584 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.411 -2.864 3.098 1.00 0.00 H new ATOM 0 HG LEU A 22 6.175 -1.034 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.395 0.790 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.271 -0.669 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.695 -0.270 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.317 0.586 3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.605 -0.476 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.699 -1.020 4.402 1.00 0.00 H new ATOM 361 N TYR A 23 5.163 -4.057 5.587 1.00 0.00 N ATOM 362 CA TYR A 23 4.929 -4.093 7.053 1.00 0.00 C ATOM 363 C TYR A 23 5.924 -5.082 7.710 1.00 0.00 C ATOM 364 O TYR A 23 6.112 -5.029 8.907 1.00 0.00 O ATOM 365 CB TYR A 23 3.425 -4.455 7.256 1.00 0.00 C ATOM 366 CG TYR A 23 3.231 -5.809 7.897 1.00 0.00 C ATOM 367 CD1 TYR A 23 3.574 -6.005 9.234 1.00 0.00 C ATOM 368 CD2 TYR A 23 2.712 -6.858 7.146 1.00 0.00 C ATOM 369 CE1 TYR A 23 3.406 -7.257 9.823 1.00 0.00 C ATOM 370 CE2 TYR A 23 2.542 -8.110 7.724 1.00 0.00 C ATOM 371 CZ TYR A 23 2.891 -8.318 9.066 1.00 0.00 C ATOM 372 OH TYR A 23 2.721 -9.561 9.642 1.00 0.00 O ATOM 0 H TYR A 23 4.490 -4.571 5.019 1.00 0.00 H new ATOM 0 HA TYR A 23 5.114 -3.137 7.542 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.953 -3.693 7.877 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.918 -4.439 6.291 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.971 -5.185 9.814 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.441 -6.699 6.113 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.672 -7.409 10.859 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.140 -8.924 7.139 1.00 0.00 H new ATOM 0 HH TYR A 23 2.980 -10.256 9.002 1.00 0.00 H new ATOM 382 N SER A 24 6.584 -5.969 6.955 1.00 0.00 N ATOM 383 CA SER A 24 7.582 -6.907 7.609 1.00 0.00 C ATOM 384 C SER A 24 8.546 -6.071 8.468 1.00 0.00 C ATOM 385 O SER A 24 8.857 -6.429 9.589 1.00 0.00 O ATOM 386 CB SER A 24 8.344 -7.613 6.478 1.00 0.00 C ATOM 387 OG SER A 24 9.669 -7.896 6.908 1.00 0.00 O ATOM 0 H SER A 24 6.475 -6.077 5.947 1.00 0.00 H new ATOM 0 HA SER A 24 7.094 -7.643 8.248 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.834 -8.536 6.202 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.365 -6.982 5.589 1.00 0.00 H new ATOM 0 HG SER A 24 10.157 -8.348 6.188 1.00 0.00 H new ATOM 393 N ALA A 25 8.956 -4.916 7.973 1.00 0.00 N ATOM 394 CA ALA A 25 9.822 -4.024 8.806 1.00 0.00 C ATOM 395 C ALA A 25 8.921 -3.396 9.879 1.00 0.00 C ATOM 396 O ALA A 25 9.290 -3.307 11.034 1.00 0.00 O ATOM 397 CB ALA A 25 10.386 -2.944 7.869 1.00 0.00 C ATOM 0 H ALA A 25 8.729 -4.563 7.043 1.00 0.00 H new ATOM 0 HA ALA A 25 10.644 -4.555 9.287 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.026 -2.268 8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.968 -3.417 7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.564 -2.380 7.427 1.00 0.00 H new ATOM 403 N ALA A 26 7.716 -2.979 9.507 1.00 0.00 N ATOM 404 CA ALA A 26 6.776 -2.381 10.529 1.00 0.00 C ATOM 405 C ALA A 26 6.576 -3.367 11.698 1.00 0.00 C ATOM 406 O ALA A 26 6.538 -2.970 12.846 1.00 0.00 O ATOM 407 CB ALA A 26 5.435 -2.146 9.811 1.00 0.00 C ATOM 0 H ALA A 26 7.351 -3.027 8.556 1.00 0.00 H new ATOM 0 HA ALA A 26 7.176 -1.451 10.934 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.719 -1.713 10.510 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.585 -1.463 8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.050 -3.096 9.439 1.00 0.00 H new ATOM 413 N SER A 27 6.460 -4.656 11.415 1.00 0.00 N ATOM 414 CA SER A 27 6.277 -5.660 12.532 1.00 0.00 C ATOM 415 C SER A 27 7.435 -5.523 13.535 1.00 0.00 C ATOM 416 O SER A 27 7.229 -5.555 14.734 1.00 0.00 O ATOM 417 CB SER A 27 6.308 -7.053 11.884 1.00 0.00 C ATOM 418 OG SER A 27 7.657 -7.472 11.734 1.00 0.00 O ATOM 0 H SER A 27 6.484 -5.051 10.475 1.00 0.00 H new ATOM 0 HA SER A 27 5.340 -5.499 13.064 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.760 -7.766 12.501 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.814 -7.026 10.913 1.00 0.00 H new ATOM 0 HG SER A 27 7.966 -7.263 10.828 1.00 0.00 H new ATOM 424 N LYS A 28 8.652 -5.349 13.052 1.00 0.00 N ATOM 425 CA LYS A 28 9.811 -5.185 13.998 1.00 0.00 C ATOM 426 C LYS A 28 9.641 -3.878 14.789 1.00 0.00 C ATOM 427 O LYS A 28 9.912 -3.830 15.974 1.00 0.00 O ATOM 428 CB LYS A 28 11.086 -5.124 13.140 1.00 0.00 C ATOM 429 CG LYS A 28 11.252 -6.441 12.377 1.00 0.00 C ATOM 430 CD LYS A 28 12.122 -7.397 13.195 1.00 0.00 C ATOM 431 CE LYS A 28 13.596 -7.169 12.851 1.00 0.00 C ATOM 432 NZ LYS A 28 14.350 -8.040 13.795 1.00 0.00 N ATOM 0 H LYS A 28 8.889 -5.314 12.060 1.00 0.00 H new ATOM 0 HA LYS A 28 9.866 -6.010 14.708 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.026 -4.291 12.440 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.955 -4.946 13.773 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.277 -6.890 12.189 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.710 -6.256 11.406 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.957 -7.234 14.260 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.844 -8.429 12.983 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.805 -7.435 11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.873 -6.122 12.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.370 -7.939 13.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.136 -7.759 14.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.071 -9.031 13.651 1.00 0.00 H new ATOM 446 N GLN A 29 9.176 -2.819 14.149 1.00 0.00 N ATOM 447 CA GLN A 29 8.977 -1.528 14.895 1.00 0.00 C ATOM 448 C GLN A 29 7.572 -1.456 15.538 1.00 0.00 C ATOM 449 O GLN A 29 7.220 -0.447 16.119 1.00 0.00 O ATOM 450 CB GLN A 29 9.145 -0.406 13.860 1.00 0.00 C ATOM 451 CG GLN A 29 10.632 -0.084 13.693 1.00 0.00 C ATOM 452 CD GLN A 29 10.817 0.896 12.528 1.00 0.00 C ATOM 453 OE1 GLN A 29 10.805 2.095 12.728 1.00 0.00 O ATOM 454 NE2 GLN A 29 10.988 0.442 11.310 1.00 0.00 N ATOM 0 H GLN A 29 8.930 -2.795 13.159 1.00 0.00 H new ATOM 0 HA GLN A 29 9.697 -1.441 15.709 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.719 -0.711 12.904 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.603 0.484 14.181 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.026 0.349 14.612 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.194 -0.999 13.505 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.999 -0.563 11.137 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.110 1.094 10.535 1.00 0.00 H new ATOM 463 N ASN A 30 6.756 -2.502 15.449 1.00 0.00 N ATOM 464 CA ASN A 30 5.387 -2.463 16.063 1.00 0.00 C ATOM 465 C ASN A 30 4.536 -1.403 15.362 1.00 0.00 C ATOM 466 O ASN A 30 3.810 -0.663 16.002 1.00 0.00 O ATOM 467 CB ASN A 30 5.579 -2.118 17.548 1.00 0.00 C ATOM 468 CG ASN A 30 4.347 -2.571 18.342 1.00 0.00 C ATOM 469 OD1 ASN A 30 3.490 -1.769 18.656 1.00 0.00 O ATOM 470 ND2 ASN A 30 4.217 -3.829 18.685 1.00 0.00 N ATOM 0 H ASN A 30 6.988 -3.375 14.976 1.00 0.00 H new ATOM 0 HA ASN A 30 4.872 -3.418 15.957 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.473 -2.608 17.933 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.727 -1.045 17.667 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.399 -4.132 19.213 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.934 -4.506 18.423 1.00 0.00 H new ATOM 477 N LYS A 31 4.609 -1.325 14.049 1.00 0.00 N ATOM 478 CA LYS A 31 3.789 -0.313 13.319 1.00 0.00 C ATOM 479 C LYS A 31 2.617 -0.969 12.553 1.00 0.00 C ATOM 480 O LYS A 31 2.011 -0.331 11.716 1.00 0.00 O ATOM 481 CB LYS A 31 4.758 0.363 12.347 1.00 0.00 C ATOM 482 CG LYS A 31 5.690 1.298 13.123 1.00 0.00 C ATOM 483 CD LYS A 31 4.941 2.582 13.481 1.00 0.00 C ATOM 484 CE LYS A 31 5.783 3.411 14.453 1.00 0.00 C ATOM 485 NZ LYS A 31 5.421 2.903 15.807 1.00 0.00 N ATOM 0 H LYS A 31 5.197 -1.915 13.461 1.00 0.00 H new ATOM 0 HA LYS A 31 3.333 0.397 14.009 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.341 -0.389 11.815 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.203 0.926 11.596 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.044 0.806 14.029 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.569 1.532 12.523 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.735 3.159 12.579 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.979 2.340 13.932 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.848 3.288 14.257 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.563 4.474 14.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.959 3.424 16.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.403 3.040 15.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.648 1.890 15.870 1.00 0.00 H new ATOM 499 N LEU A 32 2.269 -2.223 12.838 1.00 0.00 N ATOM 500 CA LEU A 32 1.107 -2.880 12.119 1.00 0.00 C ATOM 501 C LEU A 32 -0.113 -1.944 12.135 1.00 0.00 C ATOM 502 O LEU A 32 -0.809 -1.817 11.148 1.00 0.00 O ATOM 503 CB LEU A 32 0.817 -4.179 12.904 1.00 0.00 C ATOM 504 CG LEU A 32 1.688 -5.349 12.389 1.00 0.00 C ATOM 505 CD1 LEU A 32 1.058 -5.910 11.117 1.00 0.00 C ATOM 506 CD2 LEU A 32 3.131 -4.897 12.099 1.00 0.00 C ATOM 0 H LEU A 32 2.735 -2.810 13.529 1.00 0.00 H new ATOM 0 HA LEU A 32 1.333 -3.092 11.074 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.010 -4.017 13.964 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.238 -4.437 12.808 1.00 0.00 H new ATOM 0 HG LEU A 32 1.731 -6.116 13.163 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.664 -6.736 10.745 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.052 -6.268 11.336 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.007 -5.127 10.360 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.713 -5.746 11.739 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.122 -4.115 11.339 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.582 -4.510 13.013 1.00 0.00 H new ATOM 518 N GLU A 33 -0.342 -1.246 13.229 1.00 0.00 N ATOM 519 CA GLU A 33 -1.491 -0.277 13.254 1.00 0.00 C ATOM 520 C GLU A 33 -1.094 0.957 12.426 1.00 0.00 C ATOM 521 O GLU A 33 -1.880 1.472 11.654 1.00 0.00 O ATOM 522 CB GLU A 33 -1.721 0.107 14.725 1.00 0.00 C ATOM 523 CG GLU A 33 -2.411 -1.048 15.453 1.00 0.00 C ATOM 524 CD GLU A 33 -3.919 -0.977 15.209 1.00 0.00 C ATOM 525 OE1 GLU A 33 -4.327 -1.179 14.077 1.00 0.00 O ATOM 526 OE2 GLU A 33 -4.641 -0.724 16.159 1.00 0.00 O ATOM 0 H GLU A 33 0.205 -1.303 14.088 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.403 -0.702 12.834 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.770 0.336 15.205 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.334 1.007 14.785 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.019 -2.001 15.098 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.202 -0.995 16.521 1.00 0.00 H new ATOM 533 N GLN A 34 0.137 1.420 12.564 1.00 0.00 N ATOM 534 CA GLN A 34 0.592 2.608 11.755 1.00 0.00 C ATOM 535 C GLN A 34 0.531 2.294 10.252 1.00 0.00 C ATOM 536 O GLN A 34 0.347 3.190 9.447 1.00 0.00 O ATOM 537 CB GLN A 34 2.044 2.896 12.179 1.00 0.00 C ATOM 538 CG GLN A 34 2.375 4.371 11.925 1.00 0.00 C ATOM 539 CD GLN A 34 1.479 5.276 12.788 1.00 0.00 C ATOM 540 OE1 GLN A 34 0.722 4.796 13.610 1.00 0.00 O ATOM 541 NE2 GLN A 34 1.529 6.579 12.638 1.00 0.00 N ATOM 0 H GLN A 34 0.838 1.031 13.195 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.052 3.470 11.933 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.178 2.660 13.235 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.729 2.258 11.620 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.424 4.560 12.155 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.233 4.606 10.870 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.161 6.989 11.951 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.936 7.181 13.209 1.00 0.00 H new ATOM 550 N VAL A 35 0.697 1.046 9.852 1.00 0.00 N ATOM 551 CA VAL A 35 0.658 0.730 8.385 1.00 0.00 C ATOM 552 C VAL A 35 -0.683 0.079 7.987 1.00 0.00 C ATOM 553 O VAL A 35 -1.197 0.346 6.915 1.00 0.00 O ATOM 554 CB VAL A 35 1.828 -0.246 8.105 1.00 0.00 C ATOM 555 CG1 VAL A 35 2.214 -0.147 6.629 1.00 0.00 C ATOM 556 CG2 VAL A 35 3.068 0.082 8.967 1.00 0.00 C ATOM 0 H VAL A 35 0.855 0.249 10.468 1.00 0.00 H new ATOM 0 HA VAL A 35 0.754 1.645 7.800 1.00 0.00 H new ATOM 0 HB VAL A 35 1.495 -1.253 8.357 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.037 -0.831 6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.357 -0.413 6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.523 0.873 6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.866 -0.625 8.741 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.407 1.094 8.747 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.807 0.009 10.023 1.00 0.00 H new ATOM 566 N GLU A 36 -1.257 -0.770 8.818 1.00 0.00 N ATOM 567 CA GLU A 36 -2.568 -1.417 8.433 1.00 0.00 C ATOM 568 C GLU A 36 -3.719 -0.395 8.452 1.00 0.00 C ATOM 569 O GLU A 36 -4.656 -0.514 7.683 1.00 0.00 O ATOM 570 CB GLU A 36 -2.844 -2.524 9.463 1.00 0.00 C ATOM 571 CG GLU A 36 -3.874 -3.502 8.896 1.00 0.00 C ATOM 572 CD GLU A 36 -5.284 -2.993 9.200 1.00 0.00 C ATOM 573 OE1 GLU A 36 -5.669 -3.031 10.357 1.00 0.00 O ATOM 574 OE2 GLU A 36 -5.955 -2.573 8.271 1.00 0.00 O ATOM 0 H GLU A 36 -0.886 -1.040 9.729 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.503 -1.818 7.422 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.920 -3.051 9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.213 -2.088 10.391 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.738 -3.606 7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.731 -4.491 9.332 1.00 0.00 H new ATOM 581 N LYS A 37 -3.676 0.596 9.322 1.00 0.00 N ATOM 582 CA LYS A 37 -4.806 1.591 9.361 1.00 0.00 C ATOM 583 C LYS A 37 -4.697 2.585 8.202 1.00 0.00 C ATOM 584 O LYS A 37 -5.703 2.963 7.627 1.00 0.00 O ATOM 585 CB LYS A 37 -4.709 2.323 10.709 1.00 0.00 C ATOM 586 CG LYS A 37 -5.936 3.218 10.892 1.00 0.00 C ATOM 587 CD LYS A 37 -7.143 2.359 11.272 1.00 0.00 C ATOM 588 CE LYS A 37 -8.415 2.977 10.687 1.00 0.00 C ATOM 589 NZ LYS A 37 -8.919 3.893 11.747 1.00 0.00 N ATOM 0 H LYS A 37 -2.925 0.757 9.993 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.767 1.086 9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.647 1.601 11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.799 2.923 10.745 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.746 3.960 11.668 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.141 3.765 9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.013 1.344 10.896 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.226 2.289 12.357 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.203 3.518 9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.151 2.211 10.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.791 4.355 11.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.118 3.349 12.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.200 4.616 11.952 1.00 0.00 H new ATOM 603 N GLU A 38 -3.505 3.005 7.829 1.00 0.00 N ATOM 604 CA GLU A 38 -3.406 3.962 6.678 1.00 0.00 C ATOM 605 C GLU A 38 -3.633 3.197 5.366 1.00 0.00 C ATOM 606 O GLU A 38 -4.263 3.705 4.457 1.00 0.00 O ATOM 607 CB GLU A 38 -2.008 4.575 6.726 1.00 0.00 C ATOM 608 CG GLU A 38 -2.023 5.781 7.668 1.00 0.00 C ATOM 609 CD GLU A 38 -2.217 5.302 9.109 1.00 0.00 C ATOM 610 OE1 GLU A 38 -3.359 5.151 9.512 1.00 0.00 O ATOM 611 OE2 GLU A 38 -1.223 5.094 9.784 1.00 0.00 O ATOM 0 H GLU A 38 -2.621 2.735 8.259 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.158 4.749 6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.285 3.836 7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.697 4.882 5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.089 6.336 7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.826 6.463 7.389 1.00 0.00 H new ATOM 618 N LEU A 39 -3.152 1.969 5.261 1.00 0.00 N ATOM 619 CA LEU A 39 -3.389 1.185 3.994 1.00 0.00 C ATOM 620 C LEU A 39 -4.901 1.084 3.720 1.00 0.00 C ATOM 621 O LEU A 39 -5.325 1.125 2.581 1.00 0.00 O ATOM 622 CB LEU A 39 -2.801 -0.220 4.214 1.00 0.00 C ATOM 623 CG LEU A 39 -1.371 -0.265 3.671 1.00 0.00 C ATOM 624 CD1 LEU A 39 -0.710 -1.582 4.084 1.00 0.00 C ATOM 625 CD2 LEU A 39 -1.402 -0.167 2.141 1.00 0.00 C ATOM 0 H LEU A 39 -2.617 1.485 5.982 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.919 1.672 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.806 -0.466 5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.416 -0.966 3.711 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.802 0.571 4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.309 -1.615 3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.688 -1.653 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.279 -2.418 3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.384 -0.199 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.971 -1.003 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.873 0.771 1.846 1.00 0.00 H new ATOM 637 N LEU A 40 -5.724 0.965 4.752 1.00 0.00 N ATOM 638 CA LEU A 40 -7.212 0.879 4.508 1.00 0.00 C ATOM 639 C LEU A 40 -7.695 2.112 3.719 1.00 0.00 C ATOM 640 O LEU A 40 -8.599 2.013 2.909 1.00 0.00 O ATOM 641 CB LEU A 40 -7.888 0.840 5.887 1.00 0.00 C ATOM 642 CG LEU A 40 -9.233 0.120 5.775 1.00 0.00 C ATOM 643 CD1 LEU A 40 -9.537 -0.601 7.090 1.00 0.00 C ATOM 644 CD2 LEU A 40 -10.335 1.142 5.490 1.00 0.00 C ATOM 0 H LEU A 40 -5.437 0.925 5.730 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.459 -0.008 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.247 0.327 6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.036 1.853 6.260 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.190 -0.606 4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.495 -1.114 7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.752 -1.328 7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.581 0.125 7.902 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.294 0.630 5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.378 1.867 6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.120 1.658 4.554 1.00 0.00 H new ATOM 656 N ARG A 41 -7.104 3.275 3.942 1.00 0.00 N ATOM 657 CA ARG A 41 -7.556 4.499 3.184 1.00 0.00 C ATOM 658 C ARG A 41 -7.393 4.274 1.673 1.00 0.00 C ATOM 659 O ARG A 41 -8.265 4.623 0.899 1.00 0.00 O ATOM 660 CB ARG A 41 -6.662 5.662 3.644 1.00 0.00 C ATOM 661 CG ARG A 41 -7.033 6.060 5.073 1.00 0.00 C ATOM 662 CD ARG A 41 -6.555 7.487 5.346 1.00 0.00 C ATOM 663 NE ARG A 41 -7.643 8.109 6.152 1.00 0.00 N ATOM 664 CZ ARG A 41 -7.435 8.412 7.404 1.00 0.00 C ATOM 665 NH1 ARG A 41 -6.810 7.574 8.183 1.00 0.00 N ATOM 666 NH2 ARG A 41 -7.854 9.554 7.877 1.00 0.00 N ATOM 0 H ARG A 41 -6.343 3.427 4.604 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.607 4.713 3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.613 5.368 3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.784 6.514 2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.112 5.994 5.212 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.578 5.370 5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.610 7.490 5.889 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.390 8.033 4.417 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.550 8.298 5.725 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.483 6.681 7.814 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.648 7.811 9.162 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.344 10.209 7.268 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.692 9.791 8.856 1.00 0.00 H new ATOM 680 N VAL A 42 -6.290 3.690 1.242 1.00 0.00 N ATOM 681 CA VAL A 42 -6.107 3.452 -0.236 1.00 0.00 C ATOM 682 C VAL A 42 -7.232 2.537 -0.754 1.00 0.00 C ATOM 683 O VAL A 42 -7.742 2.737 -1.840 1.00 0.00 O ATOM 684 CB VAL A 42 -4.729 2.782 -0.408 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.470 2.478 -1.887 1.00 0.00 C ATOM 686 CG2 VAL A 42 -3.640 3.728 0.106 1.00 0.00 C ATOM 0 H VAL A 42 -5.523 3.374 1.836 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.152 4.381 -0.804 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.714 1.850 0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.494 2.005 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.242 1.806 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.489 3.406 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.664 3.258 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.668 4.658 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.813 3.943 1.161 1.00 0.00 H new ATOM 696 N GLY A 43 -7.630 1.540 0.013 1.00 0.00 N ATOM 697 CA GLY A 43 -8.724 0.634 -0.446 1.00 0.00 C ATOM 698 C GLY A 43 -10.025 1.439 -0.581 1.00 0.00 C ATOM 699 O GLY A 43 -10.699 1.365 -1.592 1.00 0.00 O ATOM 0 H GLY A 43 -7.242 1.322 0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.461 0.183 -1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.859 -0.181 0.265 1.00 0.00 H new ATOM 703 N GLN A 44 -10.384 2.216 0.425 1.00 0.00 N ATOM 704 CA GLN A 44 -11.652 3.028 0.324 1.00 0.00 C ATOM 705 C GLN A 44 -11.571 3.985 -0.878 1.00 0.00 C ATOM 706 O GLN A 44 -12.553 4.205 -1.561 1.00 0.00 O ATOM 707 CB GLN A 44 -11.770 3.831 1.630 1.00 0.00 C ATOM 708 CG GLN A 44 -12.256 2.911 2.753 1.00 0.00 C ATOM 709 CD GLN A 44 -12.960 3.746 3.830 1.00 0.00 C ATOM 710 OE1 GLN A 44 -14.140 4.015 3.724 1.00 0.00 O ATOM 711 NE2 GLN A 44 -12.287 4.171 4.873 1.00 0.00 N ATOM 0 H GLN A 44 -9.865 2.322 1.296 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.519 2.384 0.180 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.804 4.263 1.892 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.465 4.660 1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.940 2.162 2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.413 2.374 3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.296 3.948 4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.755 4.725 5.591 1.00 0.00 H new ATOM 720 N ILE A 45 -10.410 4.557 -1.147 1.00 0.00 N ATOM 721 CA ILE A 45 -10.293 5.498 -2.323 1.00 0.00 C ATOM 722 C ILE A 45 -10.685 4.761 -3.612 1.00 0.00 C ATOM 723 O ILE A 45 -11.386 5.308 -4.445 1.00 0.00 O ATOM 724 CB ILE A 45 -8.815 5.961 -2.361 1.00 0.00 C ATOM 725 CG1 ILE A 45 -8.526 6.820 -1.128 1.00 0.00 C ATOM 726 CG2 ILE A 45 -8.534 6.790 -3.620 1.00 0.00 C ATOM 727 CD1 ILE A 45 -7.026 6.791 -0.817 1.00 0.00 C ATOM 0 H ILE A 45 -9.552 4.417 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.957 6.357 -2.232 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.176 5.078 -2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.851 7.846 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.091 6.448 -0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.490 7.103 -3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.735 6.187 -4.505 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.177 7.670 -3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.825 7.404 0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.714 5.765 -0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.470 7.184 -1.668 1.00 0.00 H new ATOM 739 N LEU A 46 -10.274 3.522 -3.774 1.00 0.00 N ATOM 740 CA LEU A 46 -10.678 2.774 -5.009 1.00 0.00 C ATOM 741 C LEU A 46 -12.101 2.211 -4.841 1.00 0.00 C ATOM 742 O LEU A 46 -12.821 2.061 -5.811 1.00 0.00 O ATOM 743 CB LEU A 46 -9.660 1.636 -5.208 1.00 0.00 C ATOM 744 CG LEU A 46 -10.026 0.808 -6.454 1.00 0.00 C ATOM 745 CD1 LEU A 46 -10.197 1.724 -7.679 1.00 0.00 C ATOM 746 CD2 LEU A 46 -8.911 -0.205 -6.727 1.00 0.00 C ATOM 0 H LEU A 46 -9.688 3.006 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.685 3.430 -5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.658 2.050 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.644 0.994 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.967 0.289 -6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.455 1.122 -8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.992 2.444 -7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.264 2.255 -7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.163 -0.795 -7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.974 0.324 -6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.801 -0.866 -5.867 1.00 0.00 H new ATOM 758 N LYS A 47 -12.532 1.926 -3.624 1.00 0.00 N ATOM 759 CA LYS A 47 -13.929 1.412 -3.438 1.00 0.00 C ATOM 760 C LYS A 47 -14.918 2.568 -3.640 1.00 0.00 C ATOM 761 O LYS A 47 -16.034 2.355 -4.076 1.00 0.00 O ATOM 762 CB LYS A 47 -14.022 0.871 -2.002 1.00 0.00 C ATOM 763 CG LYS A 47 -15.411 0.273 -1.770 1.00 0.00 C ATOM 764 CD LYS A 47 -15.842 0.523 -0.323 1.00 0.00 C ATOM 765 CE LYS A 47 -17.355 0.741 -0.270 1.00 0.00 C ATOM 766 NZ LYS A 47 -17.938 -0.628 -0.187 1.00 0.00 N ATOM 0 H LYS A 47 -11.984 2.026 -2.769 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.168 0.626 -4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.256 0.113 -1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.836 1.673 -1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.130 0.720 -2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.396 -0.797 -1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.564 -0.326 0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.324 1.395 0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.637 1.343 0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.709 1.268 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -18.975 -0.562 -0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.658 -1.176 -1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.588 -1.103 0.670 1.00 0.00 H new ATOM 780 N GLU A 48 -14.527 3.801 -3.334 1.00 0.00 N ATOM 781 CA GLU A 48 -15.482 4.948 -3.531 1.00 0.00 C ATOM 782 C GLU A 48 -15.996 4.965 -4.987 1.00 0.00 C ATOM 783 O GLU A 48 -15.222 4.775 -5.903 1.00 0.00 O ATOM 784 CB GLU A 48 -14.693 6.232 -3.232 1.00 0.00 C ATOM 785 CG GLU A 48 -14.873 6.613 -1.761 1.00 0.00 C ATOM 786 CD GLU A 48 -16.033 7.601 -1.627 1.00 0.00 C ATOM 787 OE1 GLU A 48 -15.928 8.685 -2.176 1.00 0.00 O ATOM 788 OE2 GLU A 48 -17.007 7.257 -0.977 1.00 0.00 O ATOM 0 H GLU A 48 -13.609 4.052 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.348 4.858 -2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.636 6.081 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.040 7.042 -3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.070 5.722 -1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.956 7.058 -1.375 1.00 0.00 H new ATOM 795 N PRO A 49 -17.285 5.179 -5.164 1.00 0.00 N ATOM 796 CA PRO A 49 -17.862 5.197 -6.536 1.00 0.00 C ATOM 797 C PRO A 49 -17.436 6.459 -7.305 1.00 0.00 C ATOM 798 O PRO A 49 -17.177 6.399 -8.492 1.00 0.00 O ATOM 799 CB PRO A 49 -19.369 5.192 -6.295 1.00 0.00 C ATOM 800 CG PRO A 49 -19.543 5.779 -4.932 1.00 0.00 C ATOM 801 CD PRO A 49 -18.313 5.424 -4.138 1.00 0.00 C ATOM 0 HA PRO A 49 -17.525 4.356 -7.142 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.891 5.781 -7.048 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.774 4.181 -6.344 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.665 6.861 -4.991 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -20.438 5.383 -4.453 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -18.023 6.233 -3.468 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.478 4.542 -3.520 1.00 0.00 H new ATOM 809 N LYS A 50 -17.339 7.595 -6.643 1.00 0.00 N ATOM 810 CA LYS A 50 -16.901 8.840 -7.370 1.00 0.00 C ATOM 811 C LYS A 50 -15.381 8.782 -7.597 1.00 0.00 C ATOM 812 O LYS A 50 -14.885 9.227 -8.614 1.00 0.00 O ATOM 813 CB LYS A 50 -17.265 10.031 -6.469 1.00 0.00 C ATOM 814 CG LYS A 50 -17.462 11.281 -7.329 1.00 0.00 C ATOM 815 CD LYS A 50 -17.034 12.518 -6.538 1.00 0.00 C ATOM 816 CE LYS A 50 -16.934 13.719 -7.481 1.00 0.00 C ATOM 817 NZ LYS A 50 -16.079 14.703 -6.761 1.00 0.00 N ATOM 0 H LYS A 50 -17.540 7.714 -5.650 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.387 8.934 -8.341 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -18.176 9.813 -5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.476 10.201 -5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -16.876 11.201 -8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.507 11.370 -7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.754 12.723 -5.746 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -16.073 12.340 -6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -16.491 13.435 -8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -17.918 14.135 -7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.964 15.556 -7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.529 14.959 -5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.146 14.282 -6.575 1.00 0.00 H new ATOM 831 N MET A 51 -14.642 8.220 -6.661 1.00 0.00 N ATOM 832 CA MET A 51 -13.155 8.118 -6.837 1.00 0.00 C ATOM 833 C MET A 51 -12.798 6.884 -7.691 1.00 0.00 C ATOM 834 O MET A 51 -11.826 6.904 -8.422 1.00 0.00 O ATOM 835 CB MET A 51 -12.581 7.985 -5.421 1.00 0.00 C ATOM 836 CG MET A 51 -11.062 7.916 -5.484 1.00 0.00 C ATOM 837 SD MET A 51 -10.383 9.588 -5.626 1.00 0.00 S ATOM 838 CE MET A 51 -9.436 9.315 -7.143 1.00 0.00 C ATOM 0 H MET A 51 -15.003 7.831 -5.790 1.00 0.00 H new ATOM 0 HA MET A 51 -12.746 8.987 -7.354 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.890 8.834 -4.812 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.975 7.089 -4.942 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.673 7.429 -4.590 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.750 7.313 -6.337 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.419 10.232 -7.731 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.416 9.028 -6.888 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.902 8.520 -7.725 1.00 0.00 H new ATOM 848 N ALA A 52 -13.569 5.810 -7.614 1.00 0.00 N ATOM 849 CA ALA A 52 -13.239 4.592 -8.446 1.00 0.00 C ATOM 850 C ALA A 52 -13.154 4.967 -9.938 1.00 0.00 C ATOM 851 O ALA A 52 -12.334 4.437 -10.664 1.00 0.00 O ATOM 852 CB ALA A 52 -14.381 3.585 -8.225 1.00 0.00 C ATOM 0 H ALA A 52 -14.396 5.725 -7.023 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.276 4.172 -8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.189 2.684 -8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.440 3.328 -7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.324 4.029 -8.544 1.00 0.00 H new ATOM 858 N ALA A 53 -13.995 5.870 -10.403 1.00 0.00 N ATOM 859 CA ALA A 53 -13.943 6.261 -11.860 1.00 0.00 C ATOM 860 C ALA A 53 -12.553 6.812 -12.240 1.00 0.00 C ATOM 861 O ALA A 53 -12.142 6.699 -13.379 1.00 0.00 O ATOM 862 CB ALA A 53 -15.009 7.350 -12.063 1.00 0.00 C ATOM 0 H ALA A 53 -14.705 6.348 -9.848 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.129 5.393 -12.492 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.011 7.667 -13.106 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.990 6.952 -11.803 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.783 8.204 -11.424 1.00 0.00 H new ATOM 868 N SER A 54 -11.827 7.413 -11.313 1.00 0.00 N ATOM 869 CA SER A 54 -10.472 7.964 -11.673 1.00 0.00 C ATOM 870 C SER A 54 -9.381 6.902 -11.473 1.00 0.00 C ATOM 871 O SER A 54 -8.544 6.710 -12.336 1.00 0.00 O ATOM 872 CB SER A 54 -10.231 9.158 -10.740 1.00 0.00 C ATOM 873 OG SER A 54 -11.224 10.146 -10.975 1.00 0.00 O ATOM 0 H SER A 54 -12.109 7.543 -10.341 1.00 0.00 H new ATOM 0 HA SER A 54 -10.438 8.263 -12.721 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.263 8.834 -9.700 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.239 9.575 -10.913 1.00 0.00 H new ATOM 0 HG SER A 54 -11.074 10.909 -10.379 1.00 0.00 H new ATOM 879 N LEU A 55 -9.375 6.205 -10.352 1.00 0.00 N ATOM 880 CA LEU A 55 -8.309 5.154 -10.139 1.00 0.00 C ATOM 881 C LEU A 55 -8.325 4.131 -11.291 1.00 0.00 C ATOM 882 O LEU A 55 -7.293 3.604 -11.661 1.00 0.00 O ATOM 883 CB LEU A 55 -8.621 4.457 -8.805 1.00 0.00 C ATOM 884 CG LEU A 55 -7.803 5.111 -7.685 1.00 0.00 C ATOM 885 CD1 LEU A 55 -8.663 6.156 -6.972 1.00 0.00 C ATOM 886 CD2 LEU A 55 -7.352 4.042 -6.680 1.00 0.00 C ATOM 0 H LEU A 55 -10.045 6.312 -9.590 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.319 5.609 -10.117 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.686 4.531 -8.584 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.383 3.396 -8.872 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.924 5.593 -8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.083 6.622 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.977 6.918 -7.686 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.543 5.674 -6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.771 4.511 -5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.227 3.555 -6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.737 3.300 -7.189 1.00 0.00 H new ATOM 898 N LEU A 56 -9.479 3.852 -11.869 1.00 0.00 N ATOM 899 CA LEU A 56 -9.527 2.871 -13.003 1.00 0.00 C ATOM 900 C LEU A 56 -9.730 3.601 -14.349 1.00 0.00 C ATOM 901 O LEU A 56 -10.269 3.038 -15.281 1.00 0.00 O ATOM 902 CB LEU A 56 -10.726 1.959 -12.688 1.00 0.00 C ATOM 903 CG LEU A 56 -10.872 0.875 -13.773 1.00 0.00 C ATOM 904 CD1 LEU A 56 -11.025 -0.500 -13.116 1.00 0.00 C ATOM 905 CD2 LEU A 56 -12.111 1.165 -14.630 1.00 0.00 C ATOM 0 H LEU A 56 -10.377 4.258 -11.606 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.599 2.307 -13.097 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.590 1.491 -11.713 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.638 2.553 -12.632 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.982 0.881 -14.402 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.128 -1.263 -13.888 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.145 -0.714 -12.510 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.912 -0.504 -12.482 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.211 0.396 -15.396 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.999 1.165 -13.998 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.004 2.140 -15.106 1.00 0.00 H new ATOM 917 N ASN A 57 -9.301 4.843 -14.476 1.00 0.00 N ATOM 918 CA ASN A 57 -9.493 5.551 -15.778 1.00 0.00 C ATOM 919 C ASN A 57 -8.175 5.599 -16.565 1.00 0.00 C ATOM 920 O ASN A 57 -7.142 5.909 -16.005 1.00 0.00 O ATOM 921 CB ASN A 57 -9.951 6.974 -15.412 1.00 0.00 C ATOM 922 CG ASN A 57 -11.225 7.328 -16.193 1.00 0.00 C ATOM 923 OD1 ASN A 57 -12.079 6.486 -16.388 1.00 0.00 O ATOM 924 ND2 ASN A 57 -11.393 8.544 -16.653 1.00 0.00 N ATOM 0 H ASN A 57 -8.836 5.382 -13.746 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.221 5.041 -16.409 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.140 7.041 -14.341 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.162 7.690 -15.642 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.238 8.780 -17.173 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.678 9.254 -16.491 1.00 0.00 H new ATOM 931 N PRO A 58 -8.247 5.327 -17.857 1.00 0.00 N ATOM 932 CA PRO A 58 -7.032 5.395 -18.703 1.00 0.00 C ATOM 933 C PRO A 58 -6.713 6.859 -19.104 1.00 0.00 C ATOM 934 O PRO A 58 -5.747 7.107 -19.801 1.00 0.00 O ATOM 935 CB PRO A 58 -7.404 4.576 -19.933 1.00 0.00 C ATOM 936 CG PRO A 58 -8.898 4.635 -20.020 1.00 0.00 C ATOM 937 CD PRO A 58 -9.432 4.936 -18.641 1.00 0.00 C ATOM 0 HA PRO A 58 -6.145 5.022 -18.191 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -6.943 4.986 -20.831 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.057 3.547 -19.838 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.209 5.405 -20.726 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.296 3.688 -20.385 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.170 5.737 -18.669 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.923 4.065 -18.208 1.00 0.00 H new ATOM 945 N TYR A 59 -7.504 7.832 -18.673 1.00 0.00 N ATOM 946 CA TYR A 59 -7.222 9.259 -19.038 1.00 0.00 C ATOM 947 C TYR A 59 -6.297 9.930 -17.999 1.00 0.00 C ATOM 948 O TYR A 59 -5.778 11.002 -18.249 1.00 0.00 O ATOM 949 CB TYR A 59 -8.595 9.955 -19.055 1.00 0.00 C ATOM 950 CG TYR A 59 -9.490 9.281 -20.074 1.00 0.00 C ATOM 951 CD1 TYR A 59 -9.483 9.717 -21.404 1.00 0.00 C ATOM 952 CD2 TYR A 59 -10.323 8.217 -19.691 1.00 0.00 C ATOM 953 CE1 TYR A 59 -10.304 9.094 -22.351 1.00 0.00 C ATOM 954 CE2 TYR A 59 -11.142 7.594 -20.639 1.00 0.00 C ATOM 955 CZ TYR A 59 -11.133 8.032 -21.968 1.00 0.00 C ATOM 956 OH TYR A 59 -11.942 7.418 -22.903 1.00 0.00 O ATOM 0 H TYR A 59 -8.327 7.692 -18.087 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.711 9.328 -19.999 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.051 9.907 -18.066 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.477 11.010 -19.301 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.843 10.535 -21.700 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.331 7.880 -18.665 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.298 9.432 -23.377 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.781 6.775 -20.345 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.452 6.700 -22.473 1.00 0.00 H new ATOM 966 N VAL A 60 -6.074 9.326 -16.837 1.00 0.00 N ATOM 967 CA VAL A 60 -5.168 9.981 -15.823 1.00 0.00 C ATOM 968 C VAL A 60 -3.685 9.586 -16.024 1.00 0.00 C ATOM 969 O VAL A 60 -2.853 9.911 -15.199 1.00 0.00 O ATOM 970 CB VAL A 60 -5.659 9.509 -14.443 1.00 0.00 C ATOM 971 CG1 VAL A 60 -4.853 10.206 -13.344 1.00 0.00 C ATOM 972 CG2 VAL A 60 -7.143 9.853 -14.275 1.00 0.00 C ATOM 0 H VAL A 60 -6.472 8.430 -16.556 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.210 11.065 -15.926 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.525 8.430 -14.367 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.203 9.870 -12.368 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.797 9.960 -13.456 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.985 11.285 -13.425 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.486 9.517 -13.296 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.278 10.932 -14.356 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.722 9.356 -15.053 1.00 0.00 H new ATOM 982 N LYS A 61 -3.326 8.900 -17.103 1.00 0.00 N ATOM 983 CA LYS A 61 -1.890 8.516 -17.318 1.00 0.00 C ATOM 984 C LYS A 61 -1.307 7.818 -16.075 1.00 0.00 C ATOM 985 O LYS A 61 -2.018 7.543 -15.126 1.00 0.00 O ATOM 986 CB LYS A 61 -1.159 9.837 -17.583 1.00 0.00 C ATOM 987 CG LYS A 61 -1.047 10.069 -19.092 1.00 0.00 C ATOM 988 CD LYS A 61 0.303 9.550 -19.591 1.00 0.00 C ATOM 989 CE LYS A 61 1.397 10.566 -19.254 1.00 0.00 C ATOM 990 NZ LYS A 61 1.322 11.584 -20.340 1.00 0.00 N ATOM 0 H LYS A 61 -3.968 8.595 -17.835 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.783 7.811 -18.143 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.698 10.662 -17.117 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.166 9.811 -17.134 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.859 9.558 -19.610 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.145 11.131 -19.315 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.529 8.589 -19.128 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.265 9.384 -20.668 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.229 11.018 -18.276 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.379 10.094 -19.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.225 11.609 -20.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.555 11.335 -20.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.134 12.519 -19.927 1.00 0.00 H new ATOM 1004 N ARG A 62 -0.019 7.536 -16.068 1.00 0.00 N ATOM 1005 CA ARG A 62 0.597 6.865 -14.879 1.00 0.00 C ATOM 1006 C ARG A 62 1.434 7.878 -14.082 1.00 0.00 C ATOM 1007 O ARG A 62 1.250 8.032 -12.889 1.00 0.00 O ATOM 1008 CB ARG A 62 1.487 5.752 -15.447 1.00 0.00 C ATOM 1009 CG ARG A 62 2.154 4.987 -14.300 1.00 0.00 C ATOM 1010 CD ARG A 62 1.116 4.108 -13.597 1.00 0.00 C ATOM 1011 NE ARG A 62 1.149 2.814 -14.333 1.00 0.00 N ATOM 1012 CZ ARG A 62 0.415 2.650 -15.398 1.00 0.00 C ATOM 1013 NH1 ARG A 62 -0.875 2.839 -15.338 1.00 0.00 N ATOM 1014 NH2 ARG A 62 0.970 2.297 -16.525 1.00 0.00 N ATOM 0 H ARG A 62 0.625 7.742 -16.832 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.154 6.463 -14.199 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.891 5.070 -16.053 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.246 6.179 -16.102 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.967 4.371 -14.685 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.594 5.687 -13.590 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.363 3.970 -12.544 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.125 4.559 -13.636 1.00 0.00 H new ATOM 0 HE ARG A 62 1.746 2.055 -14.004 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.310 3.115 -14.458 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.449 2.711 -16.172 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.978 2.149 -16.573 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.396 2.169 -17.358 1.00 0.00 H new ATOM 1028 N SER A 63 2.347 8.579 -14.728 1.00 0.00 N ATOM 1029 CA SER A 63 3.181 9.588 -13.976 1.00 0.00 C ATOM 1030 C SER A 63 2.263 10.650 -13.348 1.00 0.00 C ATOM 1031 O SER A 63 2.461 11.049 -12.215 1.00 0.00 O ATOM 1032 CB SER A 63 4.122 10.241 -14.999 1.00 0.00 C ATOM 1033 OG SER A 63 5.202 9.360 -15.273 1.00 0.00 O ATOM 0 H SER A 63 2.549 8.500 -15.725 1.00 0.00 H new ATOM 0 HA SER A 63 3.749 9.114 -13.176 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.580 10.466 -15.917 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.499 11.187 -14.611 1.00 0.00 H new ATOM 0 HG SER A 63 5.803 9.773 -15.927 1.00 0.00 H new ATOM 1039 N VAL A 64 1.253 11.100 -14.067 1.00 0.00 N ATOM 1040 CA VAL A 64 0.323 12.129 -13.478 1.00 0.00 C ATOM 1041 C VAL A 64 -0.418 11.514 -12.279 1.00 0.00 C ATOM 1042 O VAL A 64 -0.597 12.158 -11.262 1.00 0.00 O ATOM 1043 CB VAL A 64 -0.673 12.514 -14.589 1.00 0.00 C ATOM 1044 CG1 VAL A 64 -1.668 13.551 -14.057 1.00 0.00 C ATOM 1045 CG2 VAL A 64 0.092 13.108 -15.777 1.00 0.00 C ATOM 0 H VAL A 64 1.035 10.806 -15.019 1.00 0.00 H new ATOM 0 HA VAL A 64 0.863 13.009 -13.127 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.215 11.624 -14.909 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.370 13.820 -14.846 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.215 13.131 -13.213 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.128 14.441 -13.733 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.612 13.381 -16.563 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.635 13.996 -15.453 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.797 12.371 -16.161 1.00 0.00 H new ATOM 1055 N LYS A 65 -0.848 10.271 -12.385 1.00 0.00 N ATOM 1056 CA LYS A 65 -1.574 9.630 -11.230 1.00 0.00 C ATOM 1057 C LYS A 65 -0.661 9.585 -9.994 1.00 0.00 C ATOM 1058 O LYS A 65 -1.109 9.814 -8.885 1.00 0.00 O ATOM 1059 CB LYS A 65 -1.933 8.203 -11.671 1.00 0.00 C ATOM 1060 CG LYS A 65 -3.038 7.650 -10.768 1.00 0.00 C ATOM 1061 CD LYS A 65 -3.720 6.471 -11.462 1.00 0.00 C ATOM 1062 CE LYS A 65 -5.197 6.428 -11.065 1.00 0.00 C ATOM 1063 NZ LYS A 65 -5.922 6.083 -12.318 1.00 0.00 N ATOM 0 H LYS A 65 -0.730 9.680 -13.208 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.467 10.196 -10.965 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.265 8.205 -12.709 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.052 7.563 -11.619 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.618 7.331 -9.814 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.768 8.429 -10.550 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.626 6.569 -12.544 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.230 5.538 -11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.376 5.685 -10.288 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.528 7.388 -10.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.823 6.602 -12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.340 6.345 -13.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.111 5.060 -12.340 1.00 0.00 H new ATOM 1077 N VAL A 66 0.616 9.297 -10.168 1.00 0.00 N ATOM 1078 CA VAL A 66 1.536 9.249 -8.975 1.00 0.00 C ATOM 1079 C VAL A 66 1.617 10.641 -8.331 1.00 0.00 C ATOM 1080 O VAL A 66 1.585 10.768 -7.121 1.00 0.00 O ATOM 1081 CB VAL A 66 2.920 8.811 -9.494 1.00 0.00 C ATOM 1082 CG1 VAL A 66 3.916 8.753 -8.332 1.00 0.00 C ATOM 1083 CG2 VAL A 66 2.809 7.424 -10.139 1.00 0.00 C ATOM 0 H VAL A 66 1.054 9.097 -11.067 1.00 0.00 H new ATOM 0 HA VAL A 66 1.173 8.552 -8.220 1.00 0.00 H new ATOM 0 HB VAL A 66 3.270 9.532 -10.233 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.892 8.443 -8.705 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.999 9.739 -7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.567 8.036 -7.589 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.787 7.114 -10.506 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.455 6.706 -9.399 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.106 7.465 -10.971 1.00 0.00 H new ATOM 1093 N LYS A 67 1.718 11.690 -9.125 1.00 0.00 N ATOM 1094 CA LYS A 67 1.795 13.071 -8.524 1.00 0.00 C ATOM 1095 C LYS A 67 0.516 13.362 -7.722 1.00 0.00 C ATOM 1096 O LYS A 67 0.573 13.946 -6.656 1.00 0.00 O ATOM 1097 CB LYS A 67 1.923 14.060 -9.693 1.00 0.00 C ATOM 1098 CG LYS A 67 3.383 14.129 -10.146 1.00 0.00 C ATOM 1099 CD LYS A 67 3.612 15.416 -10.942 1.00 0.00 C ATOM 1100 CE LYS A 67 5.060 15.876 -10.765 1.00 0.00 C ATOM 1101 NZ LYS A 67 5.184 17.092 -11.616 1.00 0.00 N ATOM 0 H LYS A 67 1.750 11.653 -10.144 1.00 0.00 H new ATOM 0 HA LYS A 67 2.644 13.159 -7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.289 13.744 -10.521 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.579 15.048 -9.387 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.045 14.102 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.625 13.262 -10.760 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.400 15.246 -11.998 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.928 16.193 -10.601 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.278 16.101 -9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.761 15.102 -11.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.152 17.467 -11.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.977 16.846 -12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.509 17.814 -11.291 1.00 0.00 H new ATOM 1115 N SER A 68 -0.639 12.959 -8.220 1.00 0.00 N ATOM 1116 CA SER A 68 -1.912 13.226 -7.457 1.00 0.00 C ATOM 1117 C SER A 68 -1.850 12.547 -6.079 1.00 0.00 C ATOM 1118 O SER A 68 -2.274 13.116 -5.091 1.00 0.00 O ATOM 1119 CB SER A 68 -3.060 12.631 -8.286 1.00 0.00 C ATOM 1120 OG SER A 68 -4.285 12.809 -7.586 1.00 0.00 O ATOM 0 H SER A 68 -0.755 12.466 -9.105 1.00 0.00 H new ATOM 0 HA SER A 68 -2.058 14.295 -7.298 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.110 13.117 -9.260 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.882 11.571 -8.467 1.00 0.00 H new ATOM 0 HG SER A 68 -5.020 12.432 -8.113 1.00 0.00 H new ATOM 1126 N LEU A 69 -1.325 11.339 -6.001 1.00 0.00 N ATOM 1127 CA LEU A 69 -1.250 10.649 -4.662 1.00 0.00 C ATOM 1128 C LEU A 69 -0.379 11.470 -3.701 1.00 0.00 C ATOM 1129 O LEU A 69 -0.741 11.671 -2.556 1.00 0.00 O ATOM 1130 CB LEU A 69 -0.618 9.267 -4.899 1.00 0.00 C ATOM 1131 CG LEU A 69 -1.725 8.236 -5.120 1.00 0.00 C ATOM 1132 CD1 LEU A 69 -1.112 6.927 -5.616 1.00 0.00 C ATOM 1133 CD2 LEU A 69 -2.460 7.986 -3.800 1.00 0.00 C ATOM 0 H LEU A 69 -0.952 10.809 -6.789 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.241 10.549 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.042 9.300 -5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.006 8.983 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.428 8.612 -5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.902 6.192 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.588 7.104 -6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.409 6.550 -4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.250 7.251 -3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.756 7.610 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.898 8.919 -3.445 1.00 0.00 H new ATOM 1145 N SER A 70 0.762 11.956 -4.153 1.00 0.00 N ATOM 1146 CA SER A 70 1.636 12.773 -3.235 1.00 0.00 C ATOM 1147 C SER A 70 0.864 14.013 -2.757 1.00 0.00 C ATOM 1148 O SER A 70 0.917 14.367 -1.593 1.00 0.00 O ATOM 1149 CB SER A 70 2.868 13.197 -4.049 1.00 0.00 C ATOM 1150 OG SER A 70 3.240 12.139 -4.923 1.00 0.00 O ATOM 0 H SER A 70 1.121 11.826 -5.099 1.00 0.00 H new ATOM 0 HA SER A 70 1.933 12.199 -2.357 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.647 14.097 -4.622 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.694 13.440 -3.381 1.00 0.00 H new ATOM 0 HG SER A 70 4.025 12.407 -5.445 1.00 0.00 H new ATOM 1156 N ASP A 71 0.131 14.665 -3.638 1.00 0.00 N ATOM 1157 CA ASP A 71 -0.658 15.873 -3.201 1.00 0.00 C ATOM 1158 C ASP A 71 -1.820 15.461 -2.274 1.00 0.00 C ATOM 1159 O ASP A 71 -2.289 16.265 -1.490 1.00 0.00 O ATOM 1160 CB ASP A 71 -1.202 16.536 -4.475 1.00 0.00 C ATOM 1161 CG ASP A 71 -0.132 17.453 -5.072 1.00 0.00 C ATOM 1162 OD1 ASP A 71 0.947 16.962 -5.360 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -0.410 18.630 -5.230 1.00 0.00 O ATOM 0 H ASP A 71 0.045 14.419 -4.624 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.026 16.562 -2.640 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.488 15.774 -5.200 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.100 17.110 -4.244 1.00 0.00 H new ATOM 1168 N MET A 72 -2.267 14.216 -2.319 1.00 0.00 N ATOM 1169 CA MET A 72 -3.367 13.791 -1.392 1.00 0.00 C ATOM 1170 C MET A 72 -2.708 13.329 -0.092 1.00 0.00 C ATOM 1171 O MET A 72 -3.117 13.707 0.989 1.00 0.00 O ATOM 1172 CB MET A 72 -4.101 12.628 -2.078 1.00 0.00 C ATOM 1173 CG MET A 72 -5.403 12.335 -1.329 1.00 0.00 C ATOM 1174 SD MET A 72 -6.015 10.700 -1.805 1.00 0.00 S ATOM 1175 CE MET A 72 -4.635 9.738 -1.139 1.00 0.00 C ATOM 0 H MET A 72 -1.921 13.492 -2.948 1.00 0.00 H new ATOM 0 HA MET A 72 -4.075 14.590 -1.171 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.315 12.881 -3.116 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.468 11.741 -2.090 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.233 12.373 -0.253 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.148 13.096 -1.561 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.942 8.699 -1.015 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.791 9.787 -1.827 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.339 10.147 -0.173 1.00 0.00 H new ATOM 1185 N THR A 73 -1.652 12.543 -0.195 1.00 0.00 N ATOM 1186 CA THR A 73 -0.923 12.090 1.039 1.00 0.00 C ATOM 1187 C THR A 73 -0.477 13.338 1.846 1.00 0.00 C ATOM 1188 O THR A 73 -0.511 13.331 3.063 1.00 0.00 O ATOM 1189 CB THR A 73 0.282 11.255 0.520 1.00 0.00 C ATOM 1190 OG1 THR A 73 -0.138 9.915 0.311 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.445 11.262 1.512 1.00 0.00 C ATOM 0 H THR A 73 -1.268 12.199 -1.075 1.00 0.00 H new ATOM 0 HA THR A 73 -1.534 11.488 1.711 1.00 0.00 H new ATOM 0 HB THR A 73 0.627 11.704 -0.411 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.617 9.383 -0.017 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.267 10.668 1.113 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.781 12.287 1.671 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.117 10.837 2.460 1.00 0.00 H new ATOM 1199 N ALA A 74 -0.072 14.411 1.181 1.00 0.00 N ATOM 1200 CA ALA A 74 0.354 15.644 1.944 1.00 0.00 C ATOM 1201 C ALA A 74 -0.797 16.119 2.849 1.00 0.00 C ATOM 1202 O ALA A 74 -0.575 16.522 3.975 1.00 0.00 O ATOM 1203 CB ALA A 74 0.685 16.721 0.899 1.00 0.00 C ATOM 0 H ALA A 74 -0.019 14.485 0.165 1.00 0.00 H new ATOM 0 HA ALA A 74 1.217 15.439 2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.999 17.634 1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.490 16.368 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.199 16.926 0.295 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.025 16.059 2.373 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.183 16.492 3.229 1.00 0.00 C ATOM 1211 C LYS A 75 -3.725 15.295 4.034 1.00 0.00 C ATOM 1212 O LYS A 75 -4.190 15.459 5.146 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.256 17.023 2.267 1.00 0.00 C ATOM 1214 CG LYS A 75 -5.319 17.787 3.059 1.00 0.00 C ATOM 1215 CD LYS A 75 -5.886 18.916 2.196 1.00 0.00 C ATOM 1216 CE LYS A 75 -7.166 19.456 2.837 1.00 0.00 C ATOM 1217 NZ LYS A 75 -7.304 20.842 2.310 1.00 0.00 N ATOM 0 H LYS A 75 -2.273 15.732 1.439 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.885 17.257 3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.801 17.677 1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.715 16.196 1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.118 17.110 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.884 18.196 3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.152 19.715 2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.097 18.549 1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.029 18.845 2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.095 19.452 3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.161 21.280 2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.471 21.402 2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.376 20.813 1.273 1.00 0.00 H new ATOM 1231 N GLU A 76 -3.665 14.089 3.492 1.00 0.00 N ATOM 1232 CA GLU A 76 -4.178 12.896 4.261 1.00 0.00 C ATOM 1233 C GLU A 76 -3.366 12.662 5.551 1.00 0.00 C ATOM 1234 O GLU A 76 -3.824 11.974 6.443 1.00 0.00 O ATOM 1235 CB GLU A 76 -4.040 11.680 3.332 1.00 0.00 C ATOM 1236 CG GLU A 76 -4.984 10.569 3.799 1.00 0.00 C ATOM 1237 CD GLU A 76 -5.497 9.791 2.587 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -6.206 10.380 1.787 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -5.174 8.619 2.480 1.00 0.00 O ATOM 0 H GLU A 76 -3.289 13.883 2.566 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.213 13.061 4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.275 11.964 2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.011 11.322 3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.463 9.897 4.481 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.821 10.997 4.351 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.161 13.207 5.673 1.00 0.00 N ATOM 1247 CA LYS A 77 -1.349 12.981 6.913 1.00 0.00 C ATOM 1248 C LYS A 77 -1.079 11.480 7.079 1.00 0.00 C ATOM 1249 O LYS A 77 -1.274 10.925 8.143 1.00 0.00 O ATOM 1250 CB LYS A 77 -2.185 13.519 8.084 1.00 0.00 C ATOM 1251 CG LYS A 77 -1.268 14.213 9.091 1.00 0.00 C ATOM 1252 CD LYS A 77 -2.018 15.373 9.750 1.00 0.00 C ATOM 1253 CE LYS A 77 -1.038 16.508 10.054 1.00 0.00 C ATOM 1254 NZ LYS A 77 -0.200 16.003 11.177 1.00 0.00 N ATOM 0 H LYS A 77 -1.716 13.793 4.967 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.385 13.487 6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.935 14.219 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.721 12.702 8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.938 13.502 9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.373 14.582 8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.810 15.729 9.091 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.496 15.035 10.669 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.428 16.747 9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.565 17.420 10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.099 16.747 11.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.654 15.170 11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.740 15.739 10.818 1.00 0.00 H new ATOM 1268 N PHE A 78 -0.640 10.815 6.025 1.00 0.00 N ATOM 1269 CA PHE A 78 -0.363 9.333 6.129 1.00 0.00 C ATOM 1270 C PHE A 78 0.623 9.044 7.273 1.00 0.00 C ATOM 1271 O PHE A 78 0.974 9.929 8.032 1.00 0.00 O ATOM 1272 CB PHE A 78 0.217 8.881 4.773 1.00 0.00 C ATOM 1273 CG PHE A 78 -0.879 8.193 3.992 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -1.512 7.075 4.542 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.277 8.680 2.742 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -2.545 6.438 3.843 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -2.308 8.041 2.038 1.00 0.00 C ATOM 1278 CZ PHE A 78 -2.942 6.919 2.591 1.00 0.00 C ATOM 0 H PHE A 78 -0.463 11.227 5.109 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.278 8.785 6.353 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.597 9.739 4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.057 8.203 4.926 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.204 6.702 5.508 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.791 9.547 2.320 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.035 5.576 4.271 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.613 8.413 1.071 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.737 6.426 2.050 1.00 0.00 H new ATOM 1288 N SER A 79 1.063 7.813 7.411 1.00 0.00 N ATOM 1289 CA SER A 79 2.002 7.477 8.512 1.00 0.00 C ATOM 1290 C SER A 79 3.412 7.314 7.950 1.00 0.00 C ATOM 1291 O SER A 79 3.612 7.450 6.758 1.00 0.00 O ATOM 1292 CB SER A 79 1.475 6.151 9.092 1.00 0.00 C ATOM 1293 OG SER A 79 2.396 5.098 8.816 1.00 0.00 O ATOM 0 H SER A 79 0.808 7.033 6.805 1.00 0.00 H new ATOM 0 HA SER A 79 2.055 8.251 9.277 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.331 6.247 10.168 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.502 5.917 8.660 1.00 0.00 H new ATOM 0 HG SER A 79 2.213 4.728 7.927 1.00 0.00 H new ATOM 1299 N PRO A 80 4.352 7.009 8.813 1.00 0.00 N ATOM 1300 CA PRO A 80 5.738 6.814 8.345 1.00 0.00 C ATOM 1301 C PRO A 80 5.866 5.530 7.505 1.00 0.00 C ATOM 1302 O PRO A 80 6.836 5.367 6.786 1.00 0.00 O ATOM 1303 CB PRO A 80 6.544 6.723 9.629 1.00 0.00 C ATOM 1304 CG PRO A 80 5.577 6.269 10.668 1.00 0.00 C ATOM 1305 CD PRO A 80 4.235 6.816 10.271 1.00 0.00 C ATOM 0 HA PRO A 80 6.081 7.618 7.694 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.370 6.019 9.526 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.978 7.688 9.890 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.551 5.181 10.724 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.868 6.632 11.654 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.431 6.123 10.520 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.018 7.754 10.783 1.00 0.00 H new ATOM 1313 N LEU A 81 4.899 4.627 7.553 1.00 0.00 N ATOM 1314 CA LEU A 81 4.998 3.399 6.718 1.00 0.00 C ATOM 1315 C LEU A 81 3.948 3.438 5.601 1.00 0.00 C ATOM 1316 O LEU A 81 3.548 2.403 5.101 1.00 0.00 O ATOM 1317 CB LEU A 81 4.715 2.232 7.664 1.00 0.00 C ATOM 1318 CG LEU A 81 6.034 1.742 8.275 1.00 0.00 C ATOM 1319 CD1 LEU A 81 5.812 1.351 9.735 1.00 0.00 C ATOM 1320 CD2 LEU A 81 6.543 0.524 7.495 1.00 0.00 C ATOM 0 H LEU A 81 4.061 4.697 8.130 1.00 0.00 H new ATOM 0 HA LEU A 81 5.976 3.308 6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.030 2.546 8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.228 1.421 7.123 1.00 0.00 H new ATOM 0 HG LEU A 81 6.772 2.543 8.222 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.751 1.003 10.165 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.455 2.217 10.293 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.071 0.554 9.789 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.480 0.178 7.931 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.803 -0.275 7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.708 0.802 6.454 1.00 0.00 H new ATOM 1332 N THR A 82 3.489 4.614 5.197 1.00 0.00 N ATOM 1333 CA THR A 82 2.471 4.661 4.116 1.00 0.00 C ATOM 1334 C THR A 82 2.822 5.700 3.031 1.00 0.00 C ATOM 1335 O THR A 82 1.963 6.099 2.268 1.00 0.00 O ATOM 1336 CB THR A 82 1.146 4.997 4.821 1.00 0.00 C ATOM 1337 OG1 THR A 82 1.222 4.629 6.205 1.00 0.00 O ATOM 1338 CG2 THR A 82 0.012 4.220 4.130 1.00 0.00 C ATOM 0 H THR A 82 3.778 5.518 5.570 1.00 0.00 H new ATOM 0 HA THR A 82 2.414 3.712 3.583 1.00 0.00 H new ATOM 0 HB THR A 82 0.952 6.068 4.758 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.770 3.770 6.340 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.935 4.448 4.619 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.042 4.511 3.081 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.209 3.150 4.200 1.00 0.00 H new ATOM 1346 N SER A 83 4.075 6.102 2.909 1.00 0.00 N ATOM 1347 CA SER A 83 4.449 7.055 1.822 1.00 0.00 C ATOM 1348 C SER A 83 5.555 6.395 0.991 1.00 0.00 C ATOM 1349 O SER A 83 6.577 6.978 0.689 1.00 0.00 O ATOM 1350 CB SER A 83 4.935 8.328 2.515 1.00 0.00 C ATOM 1351 OG SER A 83 4.297 9.454 1.926 1.00 0.00 O ATOM 0 H SER A 83 4.842 5.809 3.514 1.00 0.00 H new ATOM 0 HA SER A 83 3.624 7.302 1.154 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.711 8.284 3.581 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.017 8.417 2.420 1.00 0.00 H new ATOM 0 HG SER A 83 4.604 10.273 2.368 1.00 0.00 H new ATOM 1357 N ASN A 84 5.318 5.163 0.627 1.00 0.00 N ATOM 1358 CA ASN A 84 6.286 4.367 -0.192 1.00 0.00 C ATOM 1359 C ASN A 84 5.477 3.237 -0.838 1.00 0.00 C ATOM 1360 O ASN A 84 5.374 3.142 -2.046 1.00 0.00 O ATOM 1361 CB ASN A 84 7.310 3.815 0.801 1.00 0.00 C ATOM 1362 CG ASN A 84 8.638 4.568 0.645 1.00 0.00 C ATOM 1363 OD1 ASN A 84 9.534 4.099 -0.028 1.00 0.00 O ATOM 1364 ND2 ASN A 84 8.808 5.722 1.242 1.00 0.00 N ATOM 0 H ASN A 84 4.466 4.658 0.871 1.00 0.00 H new ATOM 0 HA ASN A 84 6.793 4.936 -0.971 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.938 3.922 1.820 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.462 2.750 0.627 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.690 6.223 1.141 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.058 6.119 1.808 1.00 0.00 H new ATOM 1371 N LEU A 85 4.824 2.427 -0.017 1.00 0.00 N ATOM 1372 CA LEU A 85 3.935 1.361 -0.576 1.00 0.00 C ATOM 1373 C LEU A 85 2.855 2.028 -1.463 1.00 0.00 C ATOM 1374 O LEU A 85 2.367 1.415 -2.394 1.00 0.00 O ATOM 1375 CB LEU A 85 3.288 0.649 0.637 1.00 0.00 C ATOM 1376 CG LEU A 85 2.265 -0.389 0.159 1.00 0.00 C ATOM 1377 CD1 LEU A 85 2.987 -1.547 -0.539 1.00 0.00 C ATOM 1378 CD2 LEU A 85 1.486 -0.928 1.364 1.00 0.00 C ATOM 0 H LEU A 85 4.873 2.464 1.001 1.00 0.00 H new ATOM 0 HA LEU A 85 4.482 0.644 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.058 0.162 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.800 1.382 1.280 1.00 0.00 H new ATOM 0 HG LEU A 85 1.577 0.081 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.256 -2.281 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.541 -1.166 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.679 -2.018 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.758 -1.666 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.178 -1.395 2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.967 -0.107 1.859 1.00 0.00 H new ATOM 1390 N ILE A 86 2.487 3.289 -1.207 1.00 0.00 N ATOM 1391 CA ILE A 86 1.457 3.937 -2.091 1.00 0.00 C ATOM 1392 C ILE A 86 2.048 4.113 -3.501 1.00 0.00 C ATOM 1393 O ILE A 86 1.374 3.885 -4.488 1.00 0.00 O ATOM 1394 CB ILE A 86 1.100 5.300 -1.458 1.00 0.00 C ATOM 1395 CG1 ILE A 86 0.350 5.049 -0.138 1.00 0.00 C ATOM 1396 CG2 ILE A 86 0.207 6.109 -2.416 1.00 0.00 C ATOM 1397 CD1 ILE A 86 -0.092 6.379 0.486 1.00 0.00 C ATOM 0 H ILE A 86 2.848 3.868 -0.449 1.00 0.00 H new ATOM 0 HA ILE A 86 0.557 3.329 -2.178 1.00 0.00 H new ATOM 0 HB ILE A 86 2.012 5.867 -1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.520 4.419 -0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.994 4.510 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.039 7.068 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.738 6.278 -3.353 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.711 5.555 -2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.621 6.185 1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.784 6.996 0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.753 6.903 -0.204 1.00 0.00 H new ATOM 1409 N ASN A 87 3.307 4.505 -3.609 1.00 0.00 N ATOM 1410 CA ASN A 87 3.920 4.674 -4.979 1.00 0.00 C ATOM 1411 C ASN A 87 3.798 3.357 -5.762 1.00 0.00 C ATOM 1412 O ASN A 87 3.331 3.342 -6.884 1.00 0.00 O ATOM 1413 CB ASN A 87 5.400 5.028 -4.765 1.00 0.00 C ATOM 1414 CG ASN A 87 5.549 6.548 -4.619 1.00 0.00 C ATOM 1415 OD1 ASN A 87 4.624 7.218 -4.206 1.00 0.00 O ATOM 1416 ND2 ASN A 87 6.680 7.128 -4.939 1.00 0.00 N ATOM 0 H ASN A 87 3.925 4.711 -2.824 1.00 0.00 H new ATOM 0 HA ASN A 87 3.415 5.455 -5.547 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.779 4.528 -3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.995 4.673 -5.607 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.781 8.138 -4.841 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.459 6.569 -5.286 1.00 0.00 H new ATOM 1423 N LEU A 88 4.199 2.243 -5.171 1.00 0.00 N ATOM 1424 CA LEU A 88 4.084 0.919 -5.895 1.00 0.00 C ATOM 1425 C LEU A 88 2.649 0.728 -6.413 1.00 0.00 C ATOM 1426 O LEU A 88 2.443 0.277 -7.524 1.00 0.00 O ATOM 1427 CB LEU A 88 4.416 -0.183 -4.873 1.00 0.00 C ATOM 1428 CG LEU A 88 5.861 -0.644 -5.065 1.00 0.00 C ATOM 1429 CD1 LEU A 88 6.807 0.392 -4.456 1.00 0.00 C ATOM 1430 CD2 LEU A 88 6.062 -1.999 -4.374 1.00 0.00 C ATOM 0 H LEU A 88 4.595 2.192 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 88 4.763 0.882 -6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.275 0.193 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.736 -1.025 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 88 6.075 -0.749 -6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.838 0.067 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.662 1.352 -4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.596 0.496 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.092 -2.328 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.851 -1.899 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.386 -2.734 -4.810 1.00 0.00 H new ATOM 1442 N LEU A 89 1.655 1.080 -5.619 1.00 0.00 N ATOM 1443 CA LEU A 89 0.234 0.925 -6.094 1.00 0.00 C ATOM 1444 C LEU A 89 0.026 1.757 -7.366 1.00 0.00 C ATOM 1445 O LEU A 89 -0.604 1.311 -8.305 1.00 0.00 O ATOM 1446 CB LEU A 89 -0.671 1.443 -4.965 1.00 0.00 C ATOM 1447 CG LEU A 89 -0.614 0.471 -3.786 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -1.381 1.059 -2.594 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -1.244 -0.859 -4.205 1.00 0.00 C ATOM 0 H LEU A 89 1.763 1.461 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 89 0.002 -0.114 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.347 2.435 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.696 1.541 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 89 0.423 0.307 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.339 0.364 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.929 2.007 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.421 1.224 -2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.207 -1.558 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.282 -0.695 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.692 -1.273 -5.049 1.00 0.00 H new ATOM 1461 N ALA A 90 0.575 2.955 -7.413 1.00 0.00 N ATOM 1462 CA ALA A 90 0.424 3.791 -8.641 1.00 0.00 C ATOM 1463 C ALA A 90 1.751 3.831 -9.423 1.00 0.00 C ATOM 1464 O ALA A 90 2.026 4.792 -10.119 1.00 0.00 O ATOM 1465 CB ALA A 90 0.049 5.188 -8.139 1.00 0.00 C ATOM 0 H ALA A 90 1.114 3.380 -6.659 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.332 3.392 -9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.078 5.858 -8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.883 5.134 -7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.841 5.567 -7.494 1.00 0.00 H new ATOM 1471 N GLU A 91 2.578 2.800 -9.329 1.00 0.00 N ATOM 1472 CA GLU A 91 3.872 2.815 -10.090 1.00 0.00 C ATOM 1473 C GLU A 91 3.729 2.001 -11.387 1.00 0.00 C ATOM 1474 O GLU A 91 4.155 2.438 -12.440 1.00 0.00 O ATOM 1475 CB GLU A 91 4.919 2.176 -9.166 1.00 0.00 C ATOM 1476 CG GLU A 91 6.286 2.182 -9.855 1.00 0.00 C ATOM 1477 CD GLU A 91 6.811 3.617 -9.935 1.00 0.00 C ATOM 1478 OE1 GLU A 91 7.136 4.166 -8.896 1.00 0.00 O ATOM 1479 OE2 GLU A 91 6.878 4.142 -11.035 1.00 0.00 O ATOM 0 H GLU A 91 2.411 1.966 -8.767 1.00 0.00 H new ATOM 0 HA GLU A 91 4.161 3.828 -10.371 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.972 2.725 -8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.628 1.154 -8.922 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.987 1.557 -9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.203 1.758 -10.856 1.00 0.00 H new ATOM 1486 N ASN A 92 3.134 0.827 -11.325 1.00 0.00 N ATOM 1487 CA ASN A 92 2.975 0.008 -12.567 1.00 0.00 C ATOM 1488 C ASN A 92 1.504 -0.396 -12.768 1.00 0.00 C ATOM 1489 O ASN A 92 1.223 -1.473 -13.260 1.00 0.00 O ATOM 1490 CB ASN A 92 3.842 -1.230 -12.334 1.00 0.00 C ATOM 1491 CG ASN A 92 5.323 -0.845 -12.441 1.00 0.00 C ATOM 1492 OD1 ASN A 92 5.670 0.072 -13.158 1.00 0.00 O ATOM 1493 ND2 ASN A 92 6.222 -1.509 -11.754 1.00 0.00 N ATOM 0 H ASN A 92 2.757 0.408 -10.475 1.00 0.00 H new ATOM 0 HA ASN A 92 3.272 0.558 -13.460 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.635 -1.652 -11.351 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.601 -1.999 -13.068 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.207 -1.254 -11.823 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.936 -2.280 -11.150 1.00 0.00 H new ATOM 1500 N GLY A 93 0.562 0.448 -12.391 1.00 0.00 N ATOM 1501 CA GLY A 93 -0.873 0.089 -12.567 1.00 0.00 C ATOM 1502 C GLY A 93 -1.281 -0.867 -11.444 1.00 0.00 C ATOM 1503 O GLY A 93 -1.873 -1.900 -11.692 1.00 0.00 O ATOM 0 H GLY A 93 0.733 1.362 -11.972 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.492 0.986 -12.544 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.029 -0.381 -13.538 1.00 0.00 H new ATOM 1507 N ARG A 94 -0.964 -0.538 -10.207 1.00 0.00 N ATOM 1508 CA ARG A 94 -1.337 -1.449 -9.083 1.00 0.00 C ATOM 1509 C ARG A 94 -2.459 -0.849 -8.212 1.00 0.00 C ATOM 1510 O ARG A 94 -2.599 -1.217 -7.060 1.00 0.00 O ATOM 1511 CB ARG A 94 -0.056 -1.626 -8.263 1.00 0.00 C ATOM 1512 CG ARG A 94 0.804 -2.727 -8.887 1.00 0.00 C ATOM 1513 CD ARG A 94 0.490 -4.065 -8.212 1.00 0.00 C ATOM 1514 NE ARG A 94 1.358 -5.057 -8.904 1.00 0.00 N ATOM 1515 CZ ARG A 94 0.822 -6.070 -9.529 1.00 0.00 C ATOM 1516 NH1 ARG A 94 0.409 -5.932 -10.759 1.00 0.00 N ATOM 1517 NH2 ARG A 94 0.701 -7.220 -8.924 1.00 0.00 N ATOM 0 H ARG A 94 -0.470 0.312 -9.936 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.722 -2.398 -9.457 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.501 -0.689 -8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.304 -1.884 -7.233 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.609 -2.793 -9.957 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.861 -2.488 -8.770 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.705 -4.029 -7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.564 -4.322 -8.316 1.00 0.00 H new ATOM 0 HE ARG A 94 2.372 -4.945 -8.890 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.505 -5.033 -11.231 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.010 -6.723 -11.248 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.025 -7.327 -7.963 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.282 -8.012 -9.412 1.00 0.00 H new ATOM 1531 N LEU A 95 -3.281 0.042 -8.743 1.00 0.00 N ATOM 1532 CA LEU A 95 -4.397 0.603 -7.916 1.00 0.00 C ATOM 1533 C LEU A 95 -5.745 0.022 -8.385 1.00 0.00 C ATOM 1534 O LEU A 95 -6.778 0.649 -8.246 1.00 0.00 O ATOM 1535 CB LEU A 95 -4.347 2.120 -8.123 1.00 0.00 C ATOM 1536 CG LEU A 95 -3.406 2.746 -7.089 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -3.249 4.240 -7.377 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -3.987 2.560 -5.685 1.00 0.00 C ATOM 0 H LEU A 95 -3.224 0.396 -9.698 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.294 0.349 -6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.001 2.349 -9.131 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.346 2.544 -8.025 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.433 2.258 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.579 4.684 -6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.833 4.376 -8.375 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.223 4.726 -7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.316 3.006 -4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.961 3.045 -5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.098 1.496 -5.475 1.00 0.00 H new ATOM 1550 N THR A 96 -5.746 -1.190 -8.906 1.00 0.00 N ATOM 1551 CA THR A 96 -7.023 -1.833 -9.341 1.00 0.00 C ATOM 1552 C THR A 96 -7.351 -2.930 -8.324 1.00 0.00 C ATOM 1553 O THR A 96 -8.416 -2.944 -7.736 1.00 0.00 O ATOM 1554 CB THR A 96 -6.745 -2.430 -10.725 1.00 0.00 C ATOM 1555 OG1 THR A 96 -6.234 -1.418 -11.581 1.00 0.00 O ATOM 1556 CG2 THR A 96 -8.041 -2.992 -11.311 1.00 0.00 C ATOM 0 H THR A 96 -4.911 -1.758 -9.046 1.00 0.00 H new ATOM 0 HA THR A 96 -7.864 -1.142 -9.394 1.00 0.00 H new ATOM 0 HB THR A 96 -6.013 -3.233 -10.635 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.054 -1.798 -12.466 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.841 -3.416 -12.295 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.431 -3.769 -10.653 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.776 -2.192 -11.403 1.00 0.00 H new ATOM 1564 N ASN A 97 -6.410 -3.822 -8.067 1.00 0.00 N ATOM 1565 CA ASN A 97 -6.635 -4.876 -7.042 1.00 0.00 C ATOM 1566 C ASN A 97 -5.859 -4.497 -5.764 1.00 0.00 C ATOM 1567 O ASN A 97 -5.313 -5.351 -5.093 1.00 0.00 O ATOM 1568 CB ASN A 97 -6.074 -6.169 -7.647 1.00 0.00 C ATOM 1569 CG ASN A 97 -6.878 -6.536 -8.900 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -7.839 -7.276 -8.818 1.00 0.00 O ATOM 1571 ND2 ASN A 97 -6.528 -6.053 -10.067 1.00 0.00 N ATOM 0 H ASN A 97 -5.501 -3.855 -8.529 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.687 -4.991 -6.779 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.022 -6.038 -7.902 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.127 -6.977 -6.918 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.061 -6.298 -10.901 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.722 -5.432 -10.141 1.00 0.00 H new ATOM 1578 N THR A 98 -5.803 -3.212 -5.421 1.00 0.00 N ATOM 1579 CA THR A 98 -5.055 -2.804 -4.187 1.00 0.00 C ATOM 1580 C THR A 98 -5.754 -3.245 -2.874 1.00 0.00 C ATOM 1581 O THR A 98 -5.058 -3.511 -1.912 1.00 0.00 O ATOM 1582 CB THR A 98 -4.882 -1.269 -4.240 1.00 0.00 C ATOM 1583 OG1 THR A 98 -3.997 -0.864 -3.205 1.00 0.00 O ATOM 1584 CG2 THR A 98 -6.227 -0.562 -4.058 1.00 0.00 C ATOM 0 H THR A 98 -6.238 -2.449 -5.940 1.00 0.00 H new ATOM 0 HA THR A 98 -4.089 -3.308 -4.174 1.00 0.00 H new ATOM 0 HB THR A 98 -4.476 -0.997 -5.214 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.400 -0.127 -2.700 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.079 0.517 -4.099 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.908 -0.866 -4.853 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.653 -0.833 -3.092 1.00 0.00 H new ATOM 1592 N PRO A 99 -7.086 -3.324 -2.826 1.00 0.00 N ATOM 1593 CA PRO A 99 -7.735 -3.752 -1.556 1.00 0.00 C ATOM 1594 C PRO A 99 -7.397 -5.220 -1.248 1.00 0.00 C ATOM 1595 O PRO A 99 -7.236 -5.587 -0.099 1.00 0.00 O ATOM 1596 CB PRO A 99 -9.227 -3.554 -1.811 1.00 0.00 C ATOM 1597 CG PRO A 99 -9.371 -3.614 -3.291 1.00 0.00 C ATOM 1598 CD PRO A 99 -8.099 -3.055 -3.872 1.00 0.00 C ATOM 0 HA PRO A 99 -7.395 -3.184 -0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.818 -4.330 -1.324 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.572 -2.597 -1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.530 -4.640 -3.623 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.234 -3.035 -3.620 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.841 -3.541 -4.813 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.188 -1.988 -4.078 1.00 0.00 H new ATOM 1606 N ALA A 100 -7.264 -6.066 -2.258 1.00 0.00 N ATOM 1607 CA ALA A 100 -6.907 -7.508 -1.980 1.00 0.00 C ATOM 1608 C ALA A 100 -5.589 -7.571 -1.186 1.00 0.00 C ATOM 1609 O ALA A 100 -5.446 -8.375 -0.284 1.00 0.00 O ATOM 1610 CB ALA A 100 -6.733 -8.194 -3.344 1.00 0.00 C ATOM 0 H ALA A 100 -7.384 -5.827 -3.242 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.681 -8.001 -1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.473 -9.242 -3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.665 -8.128 -3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.937 -7.699 -3.901 1.00 0.00 H new ATOM 1616 N VAL A 101 -4.627 -6.724 -1.505 1.00 0.00 N ATOM 1617 CA VAL A 101 -3.329 -6.750 -0.741 1.00 0.00 C ATOM 1618 C VAL A 101 -3.586 -6.353 0.721 1.00 0.00 C ATOM 1619 O VAL A 101 -3.033 -6.943 1.631 1.00 0.00 O ATOM 1620 CB VAL A 101 -2.392 -5.729 -1.413 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -1.043 -5.701 -0.685 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -2.169 -6.128 -2.872 1.00 0.00 C ATOM 0 H VAL A 101 -4.683 -6.028 -2.248 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.883 -7.745 -0.749 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.848 -4.740 -1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.385 -4.977 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.197 -5.417 0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.586 -6.690 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.506 -5.406 -3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.717 -7.119 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.125 -6.144 -3.395 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.422 -5.360 0.959 1.00 0.00 N ATOM 1633 CA ILE A 102 -4.700 -4.948 2.383 1.00 0.00 C ATOM 1634 C ILE A 102 -5.301 -6.135 3.162 1.00 0.00 C ATOM 1635 O ILE A 102 -5.000 -6.321 4.327 1.00 0.00 O ATOM 1636 CB ILE A 102 -5.697 -3.771 2.319 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -5.028 -2.580 1.622 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -6.109 -3.352 3.734 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -6.078 -1.760 0.865 1.00 0.00 C ATOM 0 H ILE A 102 -4.916 -4.826 0.244 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.788 -4.647 2.898 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.581 -4.084 1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.526 -1.952 2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.264 -2.935 0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.812 -2.521 3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.582 -4.194 4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.226 -3.042 4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.595 -0.916 0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.561 -2.389 0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.826 -1.391 1.566 1.00 0.00 H new ATOM 1651 N SER A 103 -6.139 -6.946 2.537 1.00 0.00 N ATOM 1652 CA SER A 103 -6.729 -8.120 3.281 1.00 0.00 C ATOM 1653 C SER A 103 -5.598 -9.037 3.765 1.00 0.00 C ATOM 1654 O SER A 103 -5.560 -9.421 4.918 1.00 0.00 O ATOM 1655 CB SER A 103 -7.636 -8.868 2.292 1.00 0.00 C ATOM 1656 OG SER A 103 -8.280 -9.942 2.965 1.00 0.00 O ATOM 0 H SER A 103 -6.434 -6.849 1.565 1.00 0.00 H new ATOM 0 HA SER A 103 -7.299 -7.795 4.151 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.378 -8.187 1.875 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.048 -9.248 1.457 1.00 0.00 H new ATOM 0 HG SER A 103 -8.861 -10.420 2.337 1.00 0.00 H new ATOM 1662 N ALA A 104 -4.658 -9.373 2.899 1.00 0.00 N ATOM 1663 CA ALA A 104 -3.513 -10.250 3.347 1.00 0.00 C ATOM 1664 C ALA A 104 -2.792 -9.594 4.543 1.00 0.00 C ATOM 1665 O ALA A 104 -2.308 -10.276 5.427 1.00 0.00 O ATOM 1666 CB ALA A 104 -2.552 -10.369 2.153 1.00 0.00 C ATOM 0 H ALA A 104 -4.633 -9.085 1.921 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.866 -11.232 3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.704 -10.996 2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.075 -10.817 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.194 -9.378 1.874 1.00 0.00 H new ATOM 1672 N PHE A 105 -2.726 -8.271 4.586 1.00 0.00 N ATOM 1673 CA PHE A 105 -2.043 -7.584 5.744 1.00 0.00 C ATOM 1674 C PHE A 105 -2.684 -8.035 7.061 1.00 0.00 C ATOM 1675 O PHE A 105 -1.994 -8.351 8.012 1.00 0.00 O ATOM 1676 CB PHE A 105 -2.272 -6.073 5.540 1.00 0.00 C ATOM 1677 CG PHE A 105 -1.295 -5.268 6.364 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -1.306 -5.351 7.762 1.00 0.00 C ATOM 1679 CD2 PHE A 105 -0.377 -4.426 5.724 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.401 -4.600 8.510 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.526 -3.676 6.477 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.513 -3.765 7.870 1.00 0.00 C ATOM 0 H PHE A 105 -3.111 -7.646 3.878 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.981 -7.824 5.786 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.159 -5.822 4.485 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.293 -5.814 5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.015 -5.996 8.260 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.368 -4.357 4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.408 -4.665 9.588 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.234 -3.027 5.983 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.213 -3.185 8.453 1.00 0.00 H new ATOM 1692 N SER A 106 -3.998 -8.076 7.123 1.00 0.00 N ATOM 1693 CA SER A 106 -4.661 -8.521 8.397 1.00 0.00 C ATOM 1694 C SER A 106 -4.424 -10.024 8.628 1.00 0.00 C ATOM 1695 O SER A 106 -4.393 -10.471 9.760 1.00 0.00 O ATOM 1696 CB SER A 106 -6.162 -8.236 8.241 1.00 0.00 C ATOM 1697 OG SER A 106 -6.349 -6.862 7.933 1.00 0.00 O ATOM 0 H SER A 106 -4.630 -7.826 6.363 1.00 0.00 H new ATOM 0 HA SER A 106 -4.250 -7.989 9.255 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.582 -8.858 7.451 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.690 -8.490 9.160 1.00 0.00 H new ATOM 0 HG SER A 106 -7.306 -6.677 7.831 1.00 0.00 H new ATOM 1703 N THR A 107 -4.254 -10.813 7.579 1.00 0.00 N ATOM 1704 CA THR A 107 -4.019 -12.280 7.796 1.00 0.00 C ATOM 1705 C THR A 107 -2.564 -12.532 8.189 1.00 0.00 C ATOM 1706 O THR A 107 -2.303 -13.340 9.063 1.00 0.00 O ATOM 1707 CB THR A 107 -4.359 -12.990 6.477 1.00 0.00 C ATOM 1708 OG1 THR A 107 -5.376 -12.265 5.800 1.00 0.00 O ATOM 1709 CG2 THR A 107 -4.849 -14.408 6.770 1.00 0.00 C ATOM 0 H THR A 107 -4.268 -10.509 6.606 1.00 0.00 H new ATOM 0 HA THR A 107 -4.642 -12.660 8.606 1.00 0.00 H new ATOM 0 HB THR A 107 -3.469 -13.039 5.850 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.593 -12.716 4.957 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.090 -14.911 5.833 1.00 0.00 H new ATOM 0 HG22 THR A 107 -4.068 -14.963 7.289 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.739 -14.363 7.397 1.00 0.00 H new ATOM 1717 N MET A 108 -1.609 -11.838 7.597 1.00 0.00 N ATOM 1718 CA MET A 108 -0.194 -12.069 8.031 1.00 0.00 C ATOM 1719 C MET A 108 0.044 -11.322 9.349 1.00 0.00 C ATOM 1720 O MET A 108 0.829 -11.758 10.170 1.00 0.00 O ATOM 1721 CB MET A 108 0.732 -11.557 6.922 1.00 0.00 C ATOM 1722 CG MET A 108 1.902 -12.541 6.757 1.00 0.00 C ATOM 1723 SD MET A 108 1.562 -13.674 5.386 1.00 0.00 S ATOM 1724 CE MET A 108 1.382 -15.179 6.375 1.00 0.00 C ATOM 0 H MET A 108 -1.744 -11.147 6.859 1.00 0.00 H new ATOM 0 HA MET A 108 0.007 -13.127 8.198 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.183 -11.464 5.985 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.107 -10.564 7.172 1.00 0.00 H new ATOM 0 HG2 MET A 108 2.826 -11.994 6.568 1.00 0.00 H new ATOM 0 HG3 MET A 108 2.048 -13.104 7.679 1.00 0.00 H new ATOM 0 HE1 MET A 108 1.235 -16.033 5.714 1.00 0.00 H new ATOM 0 HE2 MET A 108 2.281 -15.332 6.971 1.00 0.00 H new ATOM 0 HE3 MET A 108 0.521 -15.079 7.036 1.00 0.00 H new ATOM 1734 N MET A 109 -0.650 -10.213 9.590 1.00 0.00 N ATOM 1735 CA MET A 109 -0.461 -9.491 10.897 1.00 0.00 C ATOM 1736 C MET A 109 -0.743 -10.474 12.048 1.00 0.00 C ATOM 1737 O MET A 109 -0.036 -10.491 13.029 1.00 0.00 O ATOM 1738 CB MET A 109 -1.477 -8.329 10.915 1.00 0.00 C ATOM 1739 CG MET A 109 -1.440 -7.612 12.271 1.00 0.00 C ATOM 1740 SD MET A 109 -2.461 -6.119 12.193 1.00 0.00 S ATOM 1741 CE MET A 109 -3.098 -6.190 13.885 1.00 0.00 C ATOM 0 H MET A 109 -1.322 -9.791 8.949 1.00 0.00 H new ATOM 0 HA MET A 109 0.553 -9.108 11.011 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.248 -7.624 10.116 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.480 -8.711 10.725 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.806 -8.275 13.055 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.414 -7.350 12.528 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.764 -5.345 14.059 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.647 -7.121 14.028 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.267 -6.147 14.589 1.00 0.00 H new ATOM 1751 N SER A 110 -1.750 -11.323 11.930 1.00 0.00 N ATOM 1752 CA SER A 110 -2.005 -12.307 13.049 1.00 0.00 C ATOM 1753 C SER A 110 -0.756 -13.177 13.282 1.00 0.00 C ATOM 1754 O SER A 110 -0.475 -13.563 14.402 1.00 0.00 O ATOM 1755 CB SER A 110 -3.194 -13.177 12.621 1.00 0.00 C ATOM 1756 OG SER A 110 -4.380 -12.394 12.640 1.00 0.00 O ATOM 0 H SER A 110 -2.387 -11.379 11.136 1.00 0.00 H new ATOM 0 HA SER A 110 -2.225 -11.789 13.983 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.025 -13.578 11.621 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.296 -14.029 13.293 1.00 0.00 H new ATOM 0 HG SER A 110 -5.141 -12.947 12.365 1.00 0.00 H new ATOM 1762 N VAL A 111 0.010 -13.476 12.248 1.00 0.00 N ATOM 1763 CA VAL A 111 1.248 -14.306 12.461 1.00 0.00 C ATOM 1764 C VAL A 111 2.401 -13.454 13.040 1.00 0.00 C ATOM 1765 O VAL A 111 3.427 -13.995 13.405 1.00 0.00 O ATOM 1766 CB VAL A 111 1.643 -14.874 11.088 1.00 0.00 C ATOM 1767 CG1 VAL A 111 2.844 -15.809 11.248 1.00 0.00 C ATOM 1768 CG2 VAL A 111 0.467 -15.660 10.499 1.00 0.00 C ATOM 0 H VAL A 111 -0.165 -13.187 11.285 1.00 0.00 H new ATOM 0 HA VAL A 111 1.052 -15.103 13.179 1.00 0.00 H new ATOM 0 HB VAL A 111 1.904 -14.053 10.421 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.124 -16.212 10.275 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.684 -15.254 11.666 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.581 -16.628 11.917 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.749 -16.062 9.526 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.206 -16.480 11.168 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.391 -14.998 10.383 1.00 0.00 H new ATOM 1778 N HIS A 112 2.256 -12.140 13.149 1.00 0.00 N ATOM 1779 CA HIS A 112 3.357 -11.317 13.727 1.00 0.00 C ATOM 1780 C HIS A 112 3.184 -11.212 15.266 1.00 0.00 C ATOM 1781 O HIS A 112 4.144 -10.976 15.976 1.00 0.00 O ATOM 1782 CB HIS A 112 3.267 -9.948 12.991 1.00 0.00 C ATOM 1783 CG HIS A 112 2.668 -8.864 13.855 1.00 0.00 C ATOM 1784 ND1 HIS A 112 1.370 -8.907 14.331 1.00 0.00 N ATOM 1785 CD2 HIS A 112 3.205 -7.721 14.347 1.00 0.00 C ATOM 1786 CE1 HIS A 112 1.176 -7.812 15.081 1.00 0.00 C ATOM 1787 NE2 HIS A 112 2.269 -7.048 15.127 1.00 0.00 N ATOM 0 H HIS A 112 1.427 -11.619 12.862 1.00 0.00 H new ATOM 0 HA HIS A 112 4.348 -11.748 13.584 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.264 -9.644 12.672 1.00 0.00 H new ATOM 0 HB3 HIS A 112 2.666 -10.063 12.089 1.00 0.00 H new ATOM 0 HD1 HIS A 112 0.684 -9.639 14.145 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.213 -7.382 14.161 1.00 0.00 H new ATOM 0 HE1 HIS A 112 0.250 -7.578 15.585 1.00 0.00 H new ATOM 1795 N ARG A 113 1.977 -11.389 15.790 1.00 0.00 N ATOM 1796 CA ARG A 113 1.797 -11.295 17.278 1.00 0.00 C ATOM 1797 C ARG A 113 2.057 -12.659 17.944 1.00 0.00 C ATOM 1798 O ARG A 113 2.520 -12.715 19.067 1.00 0.00 O ATOM 1799 CB ARG A 113 0.344 -10.854 17.513 1.00 0.00 C ATOM 1800 CG ARG A 113 0.287 -9.880 18.691 1.00 0.00 C ATOM 1801 CD ARG A 113 -0.845 -8.874 18.468 1.00 0.00 C ATOM 1802 NE ARG A 113 -1.392 -8.604 19.827 1.00 0.00 N ATOM 1803 CZ ARG A 113 -1.334 -7.400 20.326 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -1.843 -6.395 19.666 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -0.767 -7.200 21.484 1.00 0.00 N ATOM 0 H ARG A 113 1.130 -11.590 15.258 1.00 0.00 H new ATOM 0 HA ARG A 113 2.501 -10.586 17.713 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.052 -10.379 16.616 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.282 -11.723 17.716 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.125 -10.426 19.620 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.238 -9.357 18.790 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -0.475 -7.960 18.002 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.611 -9.281 17.808 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.812 -9.360 20.367 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -2.286 -6.551 18.761 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -1.798 -5.454 20.056 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -0.369 -7.985 21.999 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -0.722 -6.259 21.874 1.00 0.00 H new ATOM 1819 N GLY A 114 1.765 -13.761 17.273 1.00 0.00 N ATOM 1820 CA GLY A 114 2.004 -15.097 17.897 1.00 0.00 C ATOM 1821 C GLY A 114 3.293 -15.725 17.338 1.00 0.00 C ATOM 1822 O GLY A 114 3.365 -16.927 17.158 1.00 0.00 O ATOM 0 H GLY A 114 1.376 -13.784 16.330 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.082 -14.992 18.979 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.157 -15.754 17.701 1.00 0.00 H new ATOM 2000 N GLU B 7 8.894 -9.104 -6.458 1.00 0.00 N ATOM 2001 CA GLU B 7 8.944 -8.641 -5.031 1.00 0.00 C ATOM 2002 C GLU B 7 9.913 -7.458 -4.897 1.00 0.00 C ATOM 2003 O GLU B 7 10.732 -7.421 -3.998 1.00 0.00 O ATOM 2004 CB GLU B 7 9.434 -9.843 -4.212 1.00 0.00 C ATOM 2005 CG GLU B 7 8.472 -11.018 -4.401 1.00 0.00 C ATOM 2006 CD GLU B 7 8.997 -12.234 -3.636 1.00 0.00 C ATOM 2007 OE1 GLU B 7 8.899 -12.231 -2.419 1.00 0.00 O ATOM 2008 OE2 GLU B 7 9.484 -13.149 -4.279 1.00 0.00 O ATOM 0 HA GLU B 7 7.970 -8.300 -4.681 1.00 0.00 H new ATOM 0 HB2 GLU B 7 10.438 -10.127 -4.528 1.00 0.00 H new ATOM 0 HB3 GLU B 7 9.496 -9.576 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU B 7 7.478 -10.750 -4.042 1.00 0.00 H new ATOM 0 HG3 GLU B 7 8.375 -11.256 -5.460 1.00 0.00 H new ATOM 2015 N VAL B 8 9.824 -6.486 -5.786 1.00 0.00 N ATOM 2016 CA VAL B 8 10.755 -5.301 -5.692 1.00 0.00 C ATOM 2017 C VAL B 8 10.583 -4.616 -4.325 1.00 0.00 C ATOM 2018 O VAL B 8 11.551 -4.208 -3.710 1.00 0.00 O ATOM 2019 CB VAL B 8 10.375 -4.337 -6.830 1.00 0.00 C ATOM 2020 CG1 VAL B 8 11.276 -3.100 -6.782 1.00 0.00 C ATOM 2021 CG2 VAL B 8 10.561 -5.044 -8.175 1.00 0.00 C ATOM 0 H VAL B 8 9.160 -6.460 -6.560 1.00 0.00 H new ATOM 0 HA VAL B 8 11.797 -5.607 -5.785 1.00 0.00 H new ATOM 0 HB VAL B 8 9.335 -4.032 -6.713 1.00 0.00 H new ATOM 0 HG11 VAL B 8 11.004 -2.420 -7.589 1.00 0.00 H new ATOM 0 HG12 VAL B 8 11.150 -2.595 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL B 8 12.317 -3.403 -6.898 1.00 0.00 H new ATOM 0 HG21 VAL B 8 10.293 -4.364 -8.984 1.00 0.00 H new ATOM 0 HG22 VAL B 8 11.602 -5.347 -8.286 1.00 0.00 H new ATOM 0 HG23 VAL B 8 9.921 -5.925 -8.214 1.00 0.00 H new ATOM 2031 N SER B 9 9.364 -4.497 -3.834 1.00 0.00 N ATOM 2032 CA SER B 9 9.167 -3.847 -2.487 1.00 0.00 C ATOM 2033 C SER B 9 9.974 -4.604 -1.416 1.00 0.00 C ATOM 2034 O SER B 9 10.489 -4.005 -0.492 1.00 0.00 O ATOM 2035 CB SER B 9 7.665 -3.925 -2.170 1.00 0.00 C ATOM 2036 OG SER B 9 7.389 -5.148 -1.499 1.00 0.00 O ATOM 0 H SER B 9 8.512 -4.815 -4.296 1.00 0.00 H new ATOM 0 HA SER B 9 9.510 -2.812 -2.496 1.00 0.00 H new ATOM 0 HB2 SER B 9 7.369 -3.081 -1.548 1.00 0.00 H new ATOM 0 HB3 SER B 9 7.084 -3.862 -3.090 1.00 0.00 H new ATOM 0 HG SER B 9 6.635 -5.597 -1.935 1.00 0.00 H new ATOM 2042 N SER B 10 10.099 -5.916 -1.534 1.00 0.00 N ATOM 2043 CA SER B 10 10.892 -6.680 -0.508 1.00 0.00 C ATOM 2044 C SER B 10 12.367 -6.266 -0.590 1.00 0.00 C ATOM 2045 O SER B 10 12.945 -5.835 0.391 1.00 0.00 O ATOM 2046 CB SER B 10 10.741 -8.169 -0.852 1.00 0.00 C ATOM 2047 OG SER B 10 11.572 -8.936 0.009 1.00 0.00 O ATOM 0 H SER B 10 9.694 -6.478 -2.282 1.00 0.00 H new ATOM 0 HA SER B 10 10.538 -6.478 0.503 1.00 0.00 H new ATOM 0 HB2 SER B 10 9.701 -8.476 -0.741 1.00 0.00 H new ATOM 0 HB3 SER B 10 11.016 -8.344 -1.892 1.00 0.00 H new ATOM 0 HG SER B 10 11.477 -9.887 -0.207 1.00 0.00 H new ATOM 2053 N ILE B 11 12.982 -6.380 -1.751 1.00 0.00 N ATOM 2054 CA ILE B 11 14.428 -5.971 -1.864 1.00 0.00 C ATOM 2055 C ILE B 11 14.577 -4.473 -1.536 1.00 0.00 C ATOM 2056 O ILE B 11 15.564 -4.064 -0.955 1.00 0.00 O ATOM 2057 CB ILE B 11 14.880 -6.278 -3.309 1.00 0.00 C ATOM 2058 CG1 ILE B 11 16.378 -5.995 -3.443 1.00 0.00 C ATOM 2059 CG2 ILE B 11 14.112 -5.410 -4.312 1.00 0.00 C ATOM 2060 CD1 ILE B 11 16.867 -6.474 -4.812 1.00 0.00 C ATOM 0 H ILE B 11 12.556 -6.731 -2.609 1.00 0.00 H new ATOM 0 HA ILE B 11 15.051 -6.519 -1.157 1.00 0.00 H new ATOM 0 HB ILE B 11 14.675 -7.327 -3.523 1.00 0.00 H new ATOM 0 HG12 ILE B 11 16.569 -4.928 -3.330 1.00 0.00 H new ATOM 0 HG13 ILE B 11 16.927 -6.503 -2.650 1.00 0.00 H new ATOM 0 HG21 ILE B 11 14.445 -5.642 -5.324 1.00 0.00 H new ATOM 0 HG22 ILE B 11 13.044 -5.613 -4.226 1.00 0.00 H new ATOM 0 HG23 ILE B 11 14.299 -4.357 -4.100 1.00 0.00 H new ATOM 0 HD11 ILE B 11 17.934 -6.273 -4.908 1.00 0.00 H new ATOM 0 HD12 ILE B 11 16.690 -7.545 -4.907 1.00 0.00 H new ATOM 0 HD13 ILE B 11 16.326 -5.946 -5.597 1.00 0.00 H new ATOM 2072 N LEU B 12 13.602 -3.650 -1.886 1.00 0.00 N ATOM 2073 CA LEU B 12 13.718 -2.184 -1.560 1.00 0.00 C ATOM 2074 C LEU B 12 13.673 -1.988 -0.035 1.00 0.00 C ATOM 2075 O LEU B 12 14.364 -1.140 0.499 1.00 0.00 O ATOM 2076 CB LEU B 12 12.520 -1.483 -2.222 1.00 0.00 C ATOM 2077 CG LEU B 12 12.807 0.013 -2.341 1.00 0.00 C ATOM 2078 CD1 LEU B 12 13.432 0.307 -3.707 1.00 0.00 C ATOM 2079 CD2 LEU B 12 11.498 0.795 -2.202 1.00 0.00 C ATOM 0 H LEU B 12 12.749 -3.925 -2.373 1.00 0.00 H new ATOM 0 HA LEU B 12 14.658 -1.770 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU B 12 12.336 -1.908 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU B 12 11.618 -1.645 -1.632 1.00 0.00 H new ATOM 0 HG LEU B 12 13.498 0.314 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU B 12 13.637 1.374 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU B 12 14.363 -0.250 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU B 12 12.742 0.006 -4.495 1.00 0.00 H new ATOM 0 HD21 LEU B 12 11.701 1.863 -2.287 1.00 0.00 H new ATOM 0 HD22 LEU B 12 10.808 0.493 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU B 12 11.051 0.587 -1.230 1.00 0.00 H new ATOM 2091 N GLU B 13 12.871 -2.763 0.676 1.00 0.00 N ATOM 2092 CA GLU B 13 12.810 -2.594 2.175 1.00 0.00 C ATOM 2093 C GLU B 13 14.205 -2.801 2.788 1.00 0.00 C ATOM 2094 O GLU B 13 14.586 -2.102 3.710 1.00 0.00 O ATOM 2095 CB GLU B 13 11.839 -3.665 2.703 1.00 0.00 C ATOM 2096 CG GLU B 13 10.403 -3.117 2.700 1.00 0.00 C ATOM 2097 CD GLU B 13 9.869 -3.045 4.135 1.00 0.00 C ATOM 2098 OE1 GLU B 13 9.939 -4.050 4.822 1.00 0.00 O ATOM 2099 OE2 GLU B 13 9.398 -1.987 4.518 1.00 0.00 O ATOM 0 H GLU B 13 12.268 -3.491 0.292 1.00 0.00 H new ATOM 0 HA GLU B 13 12.473 -1.592 2.442 1.00 0.00 H new ATOM 0 HB2 GLU B 13 11.898 -4.559 2.082 1.00 0.00 H new ATOM 0 HB3 GLU B 13 12.123 -3.959 3.713 1.00 0.00 H new ATOM 0 HG2 GLU B 13 10.383 -2.127 2.245 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.761 -3.758 2.096 1.00 0.00 H new ATOM 2106 N GLU B 14 14.976 -3.749 2.288 1.00 0.00 N ATOM 2107 CA GLU B 14 16.352 -3.974 2.867 1.00 0.00 C ATOM 2108 C GLU B 14 17.193 -2.691 2.751 1.00 0.00 C ATOM 2109 O GLU B 14 17.947 -2.361 3.648 1.00 0.00 O ATOM 2110 CB GLU B 14 17.000 -5.103 2.048 1.00 0.00 C ATOM 2111 CG GLU B 14 18.220 -5.642 2.797 1.00 0.00 C ATOM 2112 CD GLU B 14 18.937 -6.677 1.928 1.00 0.00 C ATOM 2113 OE1 GLU B 14 18.269 -7.575 1.441 1.00 0.00 O ATOM 2114 OE2 GLU B 14 20.138 -6.555 1.765 1.00 0.00 O ATOM 0 H GLU B 14 14.719 -4.367 1.518 1.00 0.00 H new ATOM 0 HA GLU B 14 16.292 -4.239 3.923 1.00 0.00 H new ATOM 0 HB2 GLU B 14 16.280 -5.904 1.880 1.00 0.00 H new ATOM 0 HB3 GLU B 14 17.297 -4.731 1.068 1.00 0.00 H new ATOM 0 HG2 GLU B 14 18.899 -4.825 3.043 1.00 0.00 H new ATOM 0 HG3 GLU B 14 17.911 -6.094 3.739 1.00 0.00 H new