USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 770 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 70 LYS NZ :NH3+ -169:sc= -0.216 (180deg=-0.1) USER MOD Set 1.2: A 102 ASN :FLIP amide:sc= -0.444 F(o=-2.3,f=-0.66) USER MOD Set 2.1: A 34 LYS NZ :NH3+ -131:sc= 0 (180deg=0) USER MOD Set 2.2: A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -120:sc= -1.52 USER MOD Single : A 20 GLN :FLIP amide:sc= -9.01! C(o=-9.7!,f=-9!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 136:sc= 0.754 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.648 USER MOD Single : A 38 CYS SG : rot 104:sc= 0.506 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-5.3!) USER MOD Single : A 47 THR OG1 : rot -32:sc= 0.107 USER MOD Single : A 48 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-3.5!) USER MOD Single : A 49 MET CE :methyl 133:sc= -4.01! (180deg=-5.14!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.269 USER MOD Single : A 52 CYS SG : rot 180:sc= 0.227 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc=-0.000744 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00531) USER MOD Single : A 78 ASN : amide:sc= -0.0249 K(o=-0.025,f=-0.65) USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.29) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -34:sc= -0.845 USER MOD Single : A 87 MET CE :methyl 151:sc= -2.43! (180deg=-4.53!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -1.18 K(o=-1.2,f=-7.8!) USER MOD Single : A 92 GLN : amide:sc= -0.151 K(o=-0.15,f=-2!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.489 K(o=-0.49,f=-9.1!) USER MOD ----------------------------------------------------------------- ATOM 228 N LEU A 12 15.029 1.948 7.889 1.00 0.00 N ATOM 229 CA LEU A 12 13.770 2.308 7.245 1.00 0.00 C ATOM 230 C LEU A 12 13.486 3.798 7.399 1.00 0.00 C ATOM 231 O LEU A 12 13.816 4.417 8.411 1.00 0.00 O ATOM 232 CB LEU A 12 12.619 1.494 7.841 1.00 0.00 C ATOM 233 CG LEU A 12 12.474 0.062 7.326 1.00 0.00 C ATOM 234 CD1 LEU A 12 11.463 -0.706 8.163 1.00 0.00 C ATOM 235 CD2 LEU A 12 12.065 0.061 5.860 1.00 0.00 C ATOM 0 HA LEU A 12 13.856 2.081 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.747 1.459 8.923 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.687 2.025 7.648 1.00 0.00 H new ATOM 0 HG LEU A 12 13.440 -0.435 7.413 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.373 -1.723 7.782 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.797 -0.735 9.200 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.494 -0.211 8.108 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.967 -0.967 5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.111 0.575 5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.825 0.574 5.270 1.00 0.00 H new ATOM 247 N PRO A 13 12.857 4.391 6.372 1.00 0.00 N ATOM 248 CA PRO A 13 12.513 5.816 6.371 1.00 0.00 C ATOM 249 C PRO A 13 11.406 6.146 7.367 1.00 0.00 C ATOM 250 O PRO A 13 11.017 5.305 8.178 1.00 0.00 O ATOM 251 CB PRO A 13 12.034 6.063 4.938 1.00 0.00 C ATOM 252 CG PRO A 13 11.556 4.734 4.463 1.00 0.00 C ATOM 253 CD PRO A 13 12.434 3.714 5.135 1.00 0.00 C ATOM 0 HA PRO A 13 13.357 6.440 6.667 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.235 6.804 4.910 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.841 6.441 4.310 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.509 4.580 4.724 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.629 4.658 3.378 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.891 2.793 5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.287 3.445 4.512 1.00 0.00 H new ATOM 261 N ALA A 14 10.902 7.373 7.299 1.00 0.00 N ATOM 262 CA ALA A 14 9.838 7.813 8.193 1.00 0.00 C ATOM 263 C ALA A 14 8.476 7.717 7.514 1.00 0.00 C ATOM 264 O ALA A 14 8.367 7.244 6.382 1.00 0.00 O ATOM 265 CB ALA A 14 10.097 9.236 8.662 1.00 0.00 C ATOM 0 H ALA A 14 11.213 8.081 6.634 1.00 0.00 H new ATOM 0 HA ALA A 14 9.830 7.153 9.060 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.294 9.551 9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.048 9.276 9.194 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.135 9.902 7.800 1.00 0.00 H new ATOM 271 N LEU A 15 7.439 8.168 8.211 1.00 0.00 N ATOM 272 CA LEU A 15 6.083 8.133 7.676 1.00 0.00 C ATOM 273 C LEU A 15 5.911 9.160 6.561 1.00 0.00 C ATOM 274 O LEU A 15 6.486 10.247 6.611 1.00 0.00 O ATOM 275 CB LEU A 15 5.066 8.397 8.789 1.00 0.00 C ATOM 276 CG LEU A 15 3.611 8.065 8.461 1.00 0.00 C ATOM 277 CD1 LEU A 15 3.492 6.641 7.941 1.00 0.00 C ATOM 278 CD2 LEU A 15 2.729 8.263 9.686 1.00 0.00 C ATOM 0 H LEU A 15 7.512 8.563 9.149 1.00 0.00 H new ATOM 0 HA LEU A 15 5.909 7.140 7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.360 7.821 9.666 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.124 9.450 9.065 1.00 0.00 H new ATOM 0 HG LEU A 15 3.271 8.745 7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.449 6.423 7.713 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.091 6.532 7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.851 5.945 8.700 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.696 8.022 9.434 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.069 7.608 10.489 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.790 9.301 10.014 1.00 0.00 H new ATOM 290 N TYR A 16 5.115 8.808 5.558 1.00 0.00 N ATOM 291 CA TYR A 16 4.867 9.698 4.431 1.00 0.00 C ATOM 292 C TYR A 16 6.164 10.020 3.695 1.00 0.00 C ATOM 293 O TYR A 16 6.307 11.088 3.099 1.00 0.00 O ATOM 294 CB TYR A 16 4.206 10.992 4.911 1.00 0.00 C ATOM 295 CG TYR A 16 2.942 10.767 5.709 1.00 0.00 C ATOM 296 CD1 TYR A 16 1.922 9.962 5.218 1.00 0.00 C ATOM 297 CD2 TYR A 16 2.769 11.359 6.955 1.00 0.00 C ATOM 298 CE1 TYR A 16 0.765 9.753 5.945 1.00 0.00 C ATOM 299 CE2 TYR A 16 1.617 11.153 7.688 1.00 0.00 C ATOM 300 CZ TYR A 16 0.617 10.350 7.179 1.00 0.00 C ATOM 301 OH TYR A 16 -0.534 10.146 7.906 1.00 0.00 O ATOM 0 H TYR A 16 4.630 7.912 5.503 1.00 0.00 H new ATOM 0 HA TYR A 16 4.195 9.189 3.740 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.917 11.548 5.522 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.974 11.614 4.046 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.035 9.492 4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.548 11.990 7.356 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.019 9.125 5.548 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.499 11.618 8.655 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.478 10.637 8.752 1.00 0.00 H new ATOM 311 N THR A 17 7.109 9.086 3.739 1.00 0.00 N ATOM 312 CA THR A 17 8.395 9.268 3.078 1.00 0.00 C ATOM 313 C THR A 17 8.359 8.736 1.651 1.00 0.00 C ATOM 314 O THR A 17 7.868 7.635 1.401 1.00 0.00 O ATOM 315 CB THR A 17 9.528 8.562 3.849 1.00 0.00 C ATOM 316 OG1 THR A 17 9.563 9.029 5.203 1.00 0.00 O ATOM 317 CG2 THR A 17 10.873 8.814 3.185 1.00 0.00 C ATOM 0 H THR A 17 7.008 8.195 4.226 1.00 0.00 H new ATOM 0 HA THR A 17 8.592 10.340 3.059 1.00 0.00 H new ATOM 0 HB THR A 17 9.332 7.490 3.840 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.436 9.435 5.387 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.657 8.306 3.747 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.852 8.432 2.164 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.075 9.885 3.167 1.00 0.00 H new ATOM 325 N ILE A 18 8.883 9.524 0.717 1.00 0.00 N ATOM 326 CA ILE A 18 8.912 9.129 -0.687 1.00 0.00 C ATOM 327 C ILE A 18 10.299 8.642 -1.091 1.00 0.00 C ATOM 328 O ILE A 18 11.297 9.331 -0.880 1.00 0.00 O ATOM 329 CB ILE A 18 8.500 10.294 -1.606 1.00 0.00 C ATOM 330 CG1 ILE A 18 7.023 10.638 -1.399 1.00 0.00 C ATOM 331 CG2 ILE A 18 8.768 9.939 -3.062 1.00 0.00 C ATOM 332 CD1 ILE A 18 6.573 11.857 -2.173 1.00 0.00 C ATOM 0 H ILE A 18 9.293 10.439 0.907 1.00 0.00 H new ATOM 0 HA ILE A 18 8.196 8.315 -0.803 1.00 0.00 H new ATOM 0 HB ILE A 18 9.097 11.169 -1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.414 9.784 -1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.842 10.805 -0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.472 10.772 -3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.831 9.738 -3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.194 9.053 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.516 12.042 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.156 12.723 -1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.721 11.686 -3.239 1.00 0.00 H new ATOM 344 N PHE A 19 10.354 7.450 -1.676 1.00 0.00 N ATOM 345 CA PHE A 19 11.618 6.870 -2.114 1.00 0.00 C ATOM 346 C PHE A 19 11.414 5.974 -3.331 1.00 0.00 C ATOM 347 O PHE A 19 10.297 5.541 -3.616 1.00 0.00 O ATOM 348 CB PHE A 19 12.255 6.067 -0.977 1.00 0.00 C ATOM 349 CG PHE A 19 11.302 5.122 -0.303 1.00 0.00 C ATOM 350 CD1 PHE A 19 10.974 3.912 -0.892 1.00 0.00 C ATOM 351 CD2 PHE A 19 10.733 5.445 0.918 1.00 0.00 C ATOM 352 CE1 PHE A 19 10.098 3.039 -0.274 1.00 0.00 C ATOM 353 CE2 PHE A 19 9.857 4.576 1.540 1.00 0.00 C ATOM 354 CZ PHE A 19 9.537 3.372 0.942 1.00 0.00 C ATOM 0 H PHE A 19 9.537 6.867 -1.858 1.00 0.00 H new ATOM 0 HA PHE A 19 12.285 7.685 -2.394 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.098 5.500 -1.372 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.655 6.758 -0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.408 3.647 -1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.977 6.386 1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.853 2.097 -0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.422 4.838 2.493 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.850 2.693 1.425 1.00 0.00 H new ATOM 364 N GLN A 20 12.500 5.701 -4.047 1.00 0.00 N ATOM 365 CA GLN A 20 12.440 4.857 -5.235 1.00 0.00 C ATOM 366 C GLN A 20 12.806 3.416 -4.898 1.00 0.00 C ATOM 367 O GLN A 20 13.828 3.156 -4.263 1.00 0.00 O ATOM 368 CB GLN A 20 13.379 5.396 -6.316 1.00 0.00 C ATOM 369 CG GLN A 20 12.949 5.035 -7.729 1.00 0.00 C ATOM 370 CD GLN A 20 13.509 5.986 -8.769 1.00 0.00 C ATOM 371 OE1 GLN A 20 12.763 6.186 -9.849 1.00 0.00 O flip ATOM 372 NE2 GLN A 20 14.599 6.533 -8.604 1.00 0.00 N flip ATOM 0 H GLN A 20 13.432 6.052 -3.825 1.00 0.00 H new ATOM 0 HA GLN A 20 11.417 4.873 -5.611 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.436 6.481 -6.228 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.383 5.009 -6.140 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.276 4.020 -7.956 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.861 5.040 -7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 20 15.139 6.350 -7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.963 7.169 -9.313 1.00 0.00 H new ATOM 381 N GLY A 21 11.966 2.481 -5.329 1.00 0.00 N ATOM 382 CA GLY A 21 12.217 1.076 -5.063 1.00 0.00 C ATOM 383 C GLY A 21 11.912 0.196 -6.258 1.00 0.00 C ATOM 384 O GLY A 21 11.227 0.619 -7.189 1.00 0.00 O ATOM 0 H GLY A 21 11.115 2.671 -5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.260 0.945 -4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.610 0.756 -4.216 1.00 0.00 H new ATOM 388 N GLU A 22 12.422 -1.031 -6.232 1.00 0.00 N ATOM 389 CA GLU A 22 12.201 -1.972 -7.324 1.00 0.00 C ATOM 390 C GLU A 22 11.345 -3.149 -6.864 1.00 0.00 C ATOM 391 O GLU A 22 11.478 -3.624 -5.736 1.00 0.00 O ATOM 392 CB GLU A 22 13.538 -2.482 -7.867 1.00 0.00 C ATOM 393 CG GLU A 22 13.393 -3.564 -8.924 1.00 0.00 C ATOM 394 CD GLU A 22 14.691 -4.304 -9.183 1.00 0.00 C ATOM 395 OE1 GLU A 22 15.723 -3.634 -9.398 1.00 0.00 O ATOM 396 OE2 GLU A 22 14.675 -5.552 -9.171 1.00 0.00 O ATOM 0 H GLU A 22 12.990 -1.397 -5.468 1.00 0.00 H new ATOM 0 HA GLU A 22 11.670 -1.447 -8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.092 -1.644 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.132 -2.871 -7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.630 -4.276 -8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.044 -3.114 -9.853 1.00 0.00 H new ATOM 403 N VAL A 23 10.465 -3.614 -7.745 1.00 0.00 N ATOM 404 CA VAL A 23 9.587 -4.734 -7.432 1.00 0.00 C ATOM 405 C VAL A 23 10.382 -6.024 -7.261 1.00 0.00 C ATOM 406 O VAL A 23 11.257 -6.337 -8.066 1.00 0.00 O ATOM 407 CB VAL A 23 8.525 -4.939 -8.527 1.00 0.00 C ATOM 408 CG1 VAL A 23 7.839 -6.287 -8.361 1.00 0.00 C ATOM 409 CG2 VAL A 23 7.509 -3.808 -8.503 1.00 0.00 C ATOM 0 H VAL A 23 10.342 -3.231 -8.682 1.00 0.00 H new ATOM 0 HA VAL A 23 9.087 -4.492 -6.494 1.00 0.00 H new ATOM 0 HB VAL A 23 9.022 -4.929 -9.497 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.092 -6.414 -9.144 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.580 -7.084 -8.434 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.354 -6.331 -7.386 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.766 -3.970 -9.284 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.015 -3.783 -7.532 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.017 -2.859 -8.676 1.00 0.00 H new ATOM 419 N ALA A 24 10.070 -6.770 -6.205 1.00 0.00 N ATOM 420 CA ALA A 24 10.753 -8.027 -5.930 1.00 0.00 C ATOM 421 C ALA A 24 9.763 -9.185 -5.860 1.00 0.00 C ATOM 422 O ALA A 24 10.140 -10.346 -6.017 1.00 0.00 O ATOM 423 CB ALA A 24 11.542 -7.926 -4.633 1.00 0.00 C ATOM 0 H ALA A 24 9.349 -6.525 -5.527 1.00 0.00 H new ATOM 0 HA ALA A 24 11.445 -8.223 -6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.047 -8.872 -4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.282 -7.130 -4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.863 -7.703 -3.810 1.00 0.00 H new ATOM 429 N MET A 25 8.496 -8.862 -5.623 1.00 0.00 N ATOM 430 CA MET A 25 7.453 -9.877 -5.533 1.00 0.00 C ATOM 431 C MET A 25 6.126 -9.340 -6.059 1.00 0.00 C ATOM 432 O MET A 25 5.772 -8.186 -5.817 1.00 0.00 O ATOM 433 CB MET A 25 7.290 -10.344 -4.086 1.00 0.00 C ATOM 434 CG MET A 25 6.490 -11.630 -3.947 1.00 0.00 C ATOM 435 SD MET A 25 6.872 -12.527 -2.431 1.00 0.00 S ATOM 436 CE MET A 25 5.397 -13.524 -2.247 1.00 0.00 C ATOM 0 H MET A 25 8.167 -7.906 -5.490 1.00 0.00 H new ATOM 0 HA MET A 25 7.751 -10.725 -6.149 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.277 -10.491 -3.647 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.800 -9.557 -3.512 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.426 -11.395 -3.967 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.691 -12.272 -4.805 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.482 -14.137 -1.350 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.527 -12.874 -2.161 1.00 0.00 H new ATOM 0 HE3 MET A 25 5.283 -14.169 -3.118 1.00 0.00 H new ATOM 446 N VAL A 26 5.394 -10.185 -6.779 1.00 0.00 N ATOM 447 CA VAL A 26 4.105 -9.795 -7.338 1.00 0.00 C ATOM 448 C VAL A 26 2.987 -10.691 -6.818 1.00 0.00 C ATOM 449 O VAL A 26 3.041 -11.912 -6.954 1.00 0.00 O ATOM 450 CB VAL A 26 4.121 -9.853 -8.878 1.00 0.00 C ATOM 451 CG1 VAL A 26 2.738 -9.552 -9.437 1.00 0.00 C ATOM 452 CG2 VAL A 26 5.154 -8.887 -9.437 1.00 0.00 C ATOM 0 H VAL A 26 5.672 -11.144 -6.989 1.00 0.00 H new ATOM 0 HA VAL A 26 3.920 -8.768 -7.022 1.00 0.00 H new ATOM 0 HB VAL A 26 4.399 -10.862 -9.184 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.768 -9.597 -10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.026 -10.288 -9.063 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.428 -8.555 -9.124 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.151 -8.941 -10.526 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.910 -7.872 -9.124 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.142 -9.154 -9.063 1.00 0.00 H new ATOM 462 N THR A 27 1.971 -10.073 -6.221 1.00 0.00 N ATOM 463 CA THR A 27 0.839 -10.814 -5.679 1.00 0.00 C ATOM 464 C THR A 27 -0.479 -10.289 -6.235 1.00 0.00 C ATOM 465 O THR A 27 -0.560 -9.149 -6.693 1.00 0.00 O ATOM 466 CB THR A 27 0.801 -10.735 -4.140 1.00 0.00 C ATOM 467 OG1 THR A 27 0.587 -9.382 -3.724 1.00 0.00 O ATOM 468 CG2 THR A 27 2.098 -11.257 -3.540 1.00 0.00 C ATOM 0 H THR A 27 1.910 -9.062 -6.101 1.00 0.00 H new ATOM 0 HA THR A 27 0.969 -11.854 -5.980 1.00 0.00 H new ATOM 0 HB THR A 27 -0.021 -11.357 -3.786 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.075 -9.363 -3.002 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.048 -11.192 -2.453 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.243 -12.296 -3.835 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.933 -10.658 -3.902 1.00 0.00 H new ATOM 476 N ASP A 28 -1.509 -11.127 -6.193 1.00 0.00 N ATOM 477 CA ASP A 28 -2.825 -10.745 -6.693 1.00 0.00 C ATOM 478 C ASP A 28 -3.461 -9.689 -5.795 1.00 0.00 C ATOM 479 O ASP A 28 -4.531 -9.160 -6.103 1.00 0.00 O ATOM 480 CB ASP A 28 -3.735 -11.971 -6.782 1.00 0.00 C ATOM 481 CG ASP A 28 -4.513 -12.210 -5.502 1.00 0.00 C ATOM 482 OD1 ASP A 28 -5.567 -11.567 -5.320 1.00 0.00 O ATOM 483 OD2 ASP A 28 -4.065 -13.040 -4.683 1.00 0.00 O ATOM 0 H ASP A 28 -1.458 -12.074 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.700 -10.322 -7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.433 -11.842 -7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.133 -12.851 -7.007 1.00 0.00 H new ATOM 488 N TYR A 29 -2.799 -9.386 -4.685 1.00 0.00 N ATOM 489 CA TYR A 29 -3.301 -8.395 -3.741 1.00 0.00 C ATOM 490 C TYR A 29 -2.353 -7.202 -3.646 1.00 0.00 C ATOM 491 O TYR A 29 -2.539 -6.312 -2.818 1.00 0.00 O ATOM 492 CB TYR A 29 -3.486 -9.023 -2.360 1.00 0.00 C ATOM 493 CG TYR A 29 -2.270 -9.776 -1.868 1.00 0.00 C ATOM 494 CD1 TYR A 29 -1.171 -9.099 -1.352 1.00 0.00 C ATOM 495 CD2 TYR A 29 -2.220 -11.163 -1.919 1.00 0.00 C ATOM 496 CE1 TYR A 29 -0.058 -9.781 -0.903 1.00 0.00 C ATOM 497 CE2 TYR A 29 -1.111 -11.855 -1.470 1.00 0.00 C ATOM 498 CZ TYR A 29 -0.033 -11.159 -0.965 1.00 0.00 C ATOM 499 OH TYR A 29 1.075 -11.843 -0.516 1.00 0.00 O ATOM 0 H TYR A 29 -1.912 -9.813 -4.416 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.266 -8.042 -4.105 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.732 -8.239 -1.644 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.336 -9.704 -2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.188 -8.020 -1.302 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.062 -11.710 -2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.788 -9.239 -0.506 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.089 -12.934 -1.514 1.00 0.00 H new ATOM 0 HH TYR A 29 0.933 -12.806 -0.628 1.00 0.00 H new ATOM 509 N GLY A 30 -1.337 -7.193 -4.504 1.00 0.00 N ATOM 510 CA GLY A 30 -0.375 -6.106 -4.502 1.00 0.00 C ATOM 511 C GLY A 30 1.018 -6.565 -4.886 1.00 0.00 C ATOM 512 O GLY A 30 1.196 -7.670 -5.397 1.00 0.00 O ATOM 0 H GLY A 30 -1.163 -7.918 -5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.704 -5.333 -5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.345 -5.653 -3.511 1.00 0.00 H new ATOM 516 N ALA A 31 2.008 -5.712 -4.642 1.00 0.00 N ATOM 517 CA ALA A 31 3.391 -6.036 -4.966 1.00 0.00 C ATOM 518 C ALA A 31 4.342 -5.518 -3.892 1.00 0.00 C ATOM 519 O ALA A 31 4.057 -4.524 -3.224 1.00 0.00 O ATOM 520 CB ALA A 31 3.764 -5.461 -6.325 1.00 0.00 C ATOM 0 H ALA A 31 1.877 -4.792 -4.221 1.00 0.00 H new ATOM 0 HA ALA A 31 3.484 -7.121 -5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.800 -5.711 -6.554 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.112 -5.882 -7.090 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.648 -4.377 -6.306 1.00 0.00 H new ATOM 526 N PHE A 32 5.473 -6.197 -3.732 1.00 0.00 N ATOM 527 CA PHE A 32 6.466 -5.806 -2.738 1.00 0.00 C ATOM 528 C PHE A 32 7.567 -4.962 -3.372 1.00 0.00 C ATOM 529 O PHE A 32 8.076 -5.292 -4.443 1.00 0.00 O ATOM 530 CB PHE A 32 7.071 -7.045 -2.076 1.00 0.00 C ATOM 531 CG PHE A 32 6.152 -7.711 -1.094 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.126 -8.533 -1.531 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.313 -7.515 0.269 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.278 -9.148 -0.629 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.468 -8.128 1.175 1.00 0.00 C ATOM 536 CZ PHE A 32 4.449 -8.944 0.726 1.00 0.00 C ATOM 0 H PHE A 32 5.725 -7.021 -4.278 1.00 0.00 H new ATOM 0 HA PHE A 32 5.967 -5.205 -1.978 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.345 -7.763 -2.849 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.991 -6.761 -1.565 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.987 -8.695 -2.590 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.107 -6.876 0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.483 -9.787 -0.984 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.605 -7.969 2.234 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.787 -9.422 1.433 1.00 0.00 H new ATOM 546 N ILE A 33 7.931 -3.874 -2.702 1.00 0.00 N ATOM 547 CA ILE A 33 8.972 -2.984 -3.199 1.00 0.00 C ATOM 548 C ILE A 33 10.169 -2.956 -2.254 1.00 0.00 C ATOM 549 O ILE A 33 10.013 -2.791 -1.043 1.00 0.00 O ATOM 550 CB ILE A 33 8.445 -1.549 -3.385 1.00 0.00 C ATOM 551 CG1 ILE A 33 7.259 -1.539 -4.352 1.00 0.00 C ATOM 552 CG2 ILE A 33 9.555 -0.639 -3.890 1.00 0.00 C ATOM 553 CD1 ILE A 33 7.607 -2.028 -5.741 1.00 0.00 C ATOM 0 H ILE A 33 7.520 -3.588 -1.813 1.00 0.00 H new ATOM 0 HA ILE A 33 9.285 -3.375 -4.167 1.00 0.00 H new ATOM 0 HB ILE A 33 8.105 -1.174 -2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.463 -2.163 -3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.865 -0.525 -4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.167 0.372 -4.017 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.372 -0.627 -3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.922 -1.009 -4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.719 -1.993 -6.372 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.381 -1.390 -6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.972 -3.053 -5.685 1.00 0.00 H new ATOM 565 N LYS A 34 11.363 -3.115 -2.815 1.00 0.00 N ATOM 566 CA LYS A 34 12.587 -3.105 -2.023 1.00 0.00 C ATOM 567 C LYS A 34 13.090 -1.680 -1.817 1.00 0.00 C ATOM 568 O LYS A 34 13.259 -0.927 -2.777 1.00 0.00 O ATOM 569 CB LYS A 34 13.668 -3.945 -2.707 1.00 0.00 C ATOM 570 CG LYS A 34 13.344 -5.428 -2.758 1.00 0.00 C ATOM 571 CD LYS A 34 14.573 -6.255 -3.096 1.00 0.00 C ATOM 572 CE LYS A 34 15.477 -6.430 -1.885 1.00 0.00 C ATOM 573 NZ LYS A 34 15.053 -7.579 -1.037 1.00 0.00 N ATOM 0 H LYS A 34 11.509 -3.252 -3.815 1.00 0.00 H new ATOM 0 HA LYS A 34 12.363 -3.537 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.813 -3.578 -3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.612 -3.806 -2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.943 -5.747 -1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.568 -5.607 -3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.265 -7.233 -3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.129 -5.771 -3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.504 -6.584 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.468 -5.517 -1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.002 -7.277 -0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.117 -7.912 -1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.743 -8.352 -1.129 1.00 0.00 H new ATOM 587 N ILE A 35 13.327 -1.317 -0.562 1.00 0.00 N ATOM 588 CA ILE A 35 13.814 0.017 -0.232 1.00 0.00 C ATOM 589 C ILE A 35 15.325 0.113 -0.414 1.00 0.00 C ATOM 590 O ILE A 35 16.083 -0.758 0.016 1.00 0.00 O ATOM 591 CB ILE A 35 13.457 0.406 1.215 1.00 0.00 C ATOM 592 CG1 ILE A 35 11.940 0.383 1.413 1.00 0.00 C ATOM 593 CG2 ILE A 35 14.020 1.778 1.550 1.00 0.00 C ATOM 594 CD1 ILE A 35 11.520 0.272 2.861 1.00 0.00 C ATOM 0 H ILE A 35 13.190 -1.927 0.244 1.00 0.00 H new ATOM 0 HA ILE A 35 13.324 0.709 -0.917 1.00 0.00 H new ATOM 0 HB ILE A 35 13.904 -0.322 1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.513 1.291 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.522 -0.456 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.759 2.038 2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 35 15.105 1.762 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.601 2.519 0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.432 0.261 2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.917 -0.650 3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.908 1.125 3.419 1.00 0.00 H new ATOM 606 N PRO A 36 15.776 1.196 -1.064 1.00 0.00 N ATOM 607 CA PRO A 36 17.200 1.432 -1.315 1.00 0.00 C ATOM 608 C PRO A 36 17.968 1.758 -0.038 1.00 0.00 C ATOM 609 O PRO A 36 17.532 2.579 0.768 1.00 0.00 O ATOM 610 CB PRO A 36 17.199 2.636 -2.260 1.00 0.00 C ATOM 611 CG PRO A 36 15.920 3.344 -1.971 1.00 0.00 C ATOM 612 CD PRO A 36 14.930 2.274 -1.603 1.00 0.00 C ATOM 0 HA PRO A 36 17.693 0.551 -1.726 1.00 0.00 H new ATOM 0 HB2 PRO A 36 18.058 3.282 -2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.250 2.321 -3.302 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.044 4.058 -1.157 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.581 3.908 -2.840 1.00 0.00 H new ATOM 0 HD2 PRO A 36 14.212 2.628 -0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.358 1.941 -2.469 1.00 0.00 H new ATOM 620 N GLY A 37 19.116 1.110 0.139 1.00 0.00 N ATOM 621 CA GLY A 37 19.926 1.344 1.320 1.00 0.00 C ATOM 622 C GLY A 37 19.390 0.627 2.543 1.00 0.00 C ATOM 623 O GLY A 37 20.055 0.568 3.578 1.00 0.00 O ATOM 0 H GLY A 37 19.499 0.427 -0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 37 20.947 1.014 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.970 2.415 1.520 1.00 0.00 H new ATOM 627 N CYS A 38 18.184 0.082 2.426 1.00 0.00 N ATOM 628 CA CYS A 38 17.558 -0.634 3.532 1.00 0.00 C ATOM 629 C CYS A 38 17.484 -2.129 3.241 1.00 0.00 C ATOM 630 O CYS A 38 17.844 -2.577 2.152 1.00 0.00 O ATOM 631 CB CYS A 38 16.155 -0.084 3.794 1.00 0.00 C ATOM 632 SG CYS A 38 15.610 -0.236 5.511 1.00 0.00 S ATOM 0 H CYS A 38 17.620 0.122 1.577 1.00 0.00 H new ATOM 0 HA CYS A 38 18.171 -0.485 4.421 1.00 0.00 H new ATOM 0 HB2 CYS A 38 16.130 0.967 3.508 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.446 -0.606 3.152 1.00 0.00 H new ATOM 0 HG CYS A 38 15.693 0.922 6.097 1.00 0.00 H new ATOM 638 N ARG A 39 17.019 -2.895 4.222 1.00 0.00 N ATOM 639 CA ARG A 39 16.902 -4.340 4.072 1.00 0.00 C ATOM 640 C ARG A 39 15.437 -4.768 4.055 1.00 0.00 C ATOM 641 O ARG A 39 15.050 -5.667 3.308 1.00 0.00 O ATOM 642 CB ARG A 39 17.640 -5.054 5.205 1.00 0.00 C ATOM 643 CG ARG A 39 17.655 -6.567 5.065 1.00 0.00 C ATOM 644 CD ARG A 39 18.553 -7.011 3.920 1.00 0.00 C ATOM 645 NE ARG A 39 18.633 -8.466 3.819 1.00 0.00 N ATOM 646 CZ ARG A 39 19.459 -9.101 2.996 1.00 0.00 C ATOM 647 NH1 ARG A 39 20.272 -8.414 2.206 1.00 0.00 N ATOM 648 NH2 ARG A 39 19.473 -10.428 2.962 1.00 0.00 N ATOM 0 H ARG A 39 16.717 -2.539 5.129 1.00 0.00 H new ATOM 0 HA ARG A 39 17.355 -4.619 3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 39 18.667 -4.691 5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 39 17.173 -4.790 6.154 1.00 0.00 H new ATOM 0 HG2 ARG A 39 18.001 -7.016 5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.641 -6.928 4.895 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.174 -6.603 2.983 1.00 0.00 H new ATOM 0 HD3 ARG A 39 19.553 -6.602 4.064 1.00 0.00 H new ATOM 0 HE ARG A 39 18.021 -9.025 4.413 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.264 -7.394 2.229 1.00 0.00 H new ATOM 0 HH12 ARG A 39 20.905 -8.905 1.575 1.00 0.00 H new ATOM 0 HH21 ARG A 39 18.849 -10.960 3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 39 20.108 -10.915 2.330 1.00 0.00 H new ATOM 662 N LYS A 40 14.627 -4.120 4.884 1.00 0.00 N ATOM 663 CA LYS A 40 13.205 -4.431 4.965 1.00 0.00 C ATOM 664 C LYS A 40 12.469 -3.942 3.722 1.00 0.00 C ATOM 665 O LYS A 40 12.813 -2.905 3.155 1.00 0.00 O ATOM 666 CB LYS A 40 12.593 -3.795 6.216 1.00 0.00 C ATOM 667 CG LYS A 40 11.288 -4.439 6.649 1.00 0.00 C ATOM 668 CD LYS A 40 11.515 -5.819 7.241 1.00 0.00 C ATOM 669 CE LYS A 40 11.790 -5.745 8.736 1.00 0.00 C ATOM 670 NZ LYS A 40 12.165 -7.072 9.298 1.00 0.00 N ATOM 0 H LYS A 40 14.931 -3.375 5.510 1.00 0.00 H new ATOM 0 HA LYS A 40 13.099 -5.514 5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.310 -3.861 7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.421 -2.735 6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.795 -3.804 7.384 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.618 -4.515 5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.639 -6.442 7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.355 -6.298 6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.593 -5.032 8.923 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.905 -5.370 9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.344 -6.979 10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.389 -7.747 9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.024 -7.419 8.826 1.00 0.00 H new ATOM 684 N GLN A 41 11.456 -4.694 3.306 1.00 0.00 N ATOM 685 CA GLN A 41 10.671 -4.335 2.130 1.00 0.00 C ATOM 686 C GLN A 41 9.232 -4.008 2.515 1.00 0.00 C ATOM 687 O GLN A 41 8.729 -4.478 3.535 1.00 0.00 O ATOM 688 CB GLN A 41 10.692 -5.474 1.110 1.00 0.00 C ATOM 689 CG GLN A 41 12.077 -6.057 0.877 1.00 0.00 C ATOM 690 CD GLN A 41 12.031 -7.468 0.323 1.00 0.00 C ATOM 691 OE1 GLN A 41 12.641 -8.384 0.876 1.00 0.00 O ATOM 692 NE2 GLN A 41 11.306 -7.650 -0.774 1.00 0.00 N ATOM 0 H GLN A 41 11.159 -5.555 3.765 1.00 0.00 H new ATOM 0 HA GLN A 41 11.119 -3.448 1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.026 -6.267 1.450 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.296 -5.109 0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.625 -5.417 0.185 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.630 -6.058 1.817 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.817 -6.862 -1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.238 -8.578 -1.192 1.00 0.00 H new ATOM 701 N GLY A 42 8.574 -3.199 1.691 1.00 0.00 N ATOM 702 CA GLY A 42 7.199 -2.822 1.963 1.00 0.00 C ATOM 703 C GLY A 42 6.237 -3.341 0.912 1.00 0.00 C ATOM 704 O GLY A 42 6.595 -3.470 -0.260 1.00 0.00 O ATOM 0 H GLY A 42 8.968 -2.798 0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.907 -3.206 2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.126 -1.736 2.013 1.00 0.00 H new ATOM 708 N LEU A 43 5.013 -3.643 1.331 1.00 0.00 N ATOM 709 CA LEU A 43 3.996 -4.154 0.418 1.00 0.00 C ATOM 710 C LEU A 43 3.082 -3.032 -0.061 1.00 0.00 C ATOM 711 O LEU A 43 2.716 -2.143 0.708 1.00 0.00 O ATOM 712 CB LEU A 43 3.169 -5.245 1.102 1.00 0.00 C ATOM 713 CG LEU A 43 1.834 -5.588 0.442 1.00 0.00 C ATOM 714 CD1 LEU A 43 2.055 -6.445 -0.796 1.00 0.00 C ATOM 715 CD2 LEU A 43 0.919 -6.299 1.427 1.00 0.00 C ATOM 0 H LEU A 43 4.701 -3.543 2.297 1.00 0.00 H new ATOM 0 HA LEU A 43 4.502 -4.580 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.771 -6.152 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.975 -4.936 2.129 1.00 0.00 H new ATOM 0 HG LEU A 43 1.353 -4.659 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.093 -6.679 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.673 -5.900 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.557 -7.370 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.027 -6.535 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.394 -7.220 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.734 -5.651 2.284 1.00 0.00 H new ATOM 727 N VAL A 44 2.713 -3.079 -1.338 1.00 0.00 N ATOM 728 CA VAL A 44 1.838 -2.069 -1.919 1.00 0.00 C ATOM 729 C VAL A 44 0.512 -2.678 -2.361 1.00 0.00 C ATOM 730 O VAL A 44 0.472 -3.528 -3.251 1.00 0.00 O ATOM 731 CB VAL A 44 2.502 -1.380 -3.127 1.00 0.00 C ATOM 732 CG1 VAL A 44 1.607 -0.277 -3.670 1.00 0.00 C ATOM 733 CG2 VAL A 44 3.866 -0.830 -2.743 1.00 0.00 C ATOM 0 H VAL A 44 3.007 -3.807 -1.989 1.00 0.00 H new ATOM 0 HA VAL A 44 1.652 -1.327 -1.143 1.00 0.00 H new ATOM 0 HB VAL A 44 2.643 -2.121 -3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.092 0.198 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.655 -0.703 -3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.432 0.466 -2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.320 -0.347 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.752 -0.102 -1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.505 -1.646 -2.406 1.00 0.00 H new ATOM 743 N HIS A 45 -0.573 -2.238 -1.732 1.00 0.00 N ATOM 744 CA HIS A 45 -1.903 -2.739 -2.061 1.00 0.00 C ATOM 745 C HIS A 45 -2.180 -2.608 -3.556 1.00 0.00 C ATOM 746 O HIS A 45 -1.753 -1.644 -4.192 1.00 0.00 O ATOM 747 CB HIS A 45 -2.967 -1.983 -1.264 1.00 0.00 C ATOM 748 CG HIS A 45 -4.217 -2.776 -1.033 1.00 0.00 C ATOM 749 ND1 HIS A 45 -5.428 -2.196 -0.718 1.00 0.00 N ATOM 750 CD2 HIS A 45 -4.440 -4.110 -1.076 1.00 0.00 C ATOM 751 CE1 HIS A 45 -6.341 -3.140 -0.574 1.00 0.00 C ATOM 752 NE2 HIS A 45 -5.768 -4.310 -0.786 1.00 0.00 N ATOM 0 H HIS A 45 -0.558 -1.536 -0.992 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.942 -3.795 -1.795 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.549 -1.691 -0.301 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.221 -1.065 -1.793 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.710 -4.875 -1.297 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.380 -2.981 -0.325 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.235 -5.216 -0.742 1.00 0.00 H new ATOM 760 N ARG A 46 -2.895 -3.581 -4.108 1.00 0.00 N ATOM 761 CA ARG A 46 -3.227 -3.573 -5.529 1.00 0.00 C ATOM 762 C ARG A 46 -4.016 -2.321 -5.896 1.00 0.00 C ATOM 763 O ARG A 46 -3.901 -1.805 -7.008 1.00 0.00 O ATOM 764 CB ARG A 46 -4.031 -4.823 -5.892 1.00 0.00 C ATOM 765 CG ARG A 46 -5.342 -4.945 -5.133 1.00 0.00 C ATOM 766 CD ARG A 46 -6.302 -5.899 -5.827 1.00 0.00 C ATOM 767 NE ARG A 46 -7.487 -6.169 -5.017 1.00 0.00 N ATOM 768 CZ ARG A 46 -8.467 -5.291 -4.834 1.00 0.00 C ATOM 769 NH1 ARG A 46 -8.402 -4.093 -5.398 1.00 0.00 N ATOM 770 NH2 ARG A 46 -9.514 -5.609 -4.083 1.00 0.00 N ATOM 0 H ARG A 46 -3.256 -4.385 -3.595 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.296 -3.571 -6.095 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.240 -4.812 -6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.423 -5.706 -5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.146 -5.298 -4.120 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.805 -3.962 -5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.606 -5.475 -6.784 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.789 -6.836 -6.042 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.566 -7.081 -4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.598 -3.843 -5.974 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.156 -3.421 -5.256 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.567 -6.529 -3.645 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.266 -4.934 -3.944 1.00 0.00 H new ATOM 784 N THR A 47 -4.821 -1.837 -4.954 1.00 0.00 N ATOM 785 CA THR A 47 -5.631 -0.646 -5.179 1.00 0.00 C ATOM 786 C THR A 47 -4.792 0.621 -5.061 1.00 0.00 C ATOM 787 O THR A 47 -5.203 1.693 -5.503 1.00 0.00 O ATOM 788 CB THR A 47 -6.803 -0.568 -4.183 1.00 0.00 C ATOM 789 OG1 THR A 47 -7.736 0.434 -4.601 1.00 0.00 O ATOM 790 CG2 THR A 47 -6.302 -0.248 -2.782 1.00 0.00 C ATOM 0 H THR A 47 -4.929 -2.252 -4.028 1.00 0.00 H new ATOM 0 HA THR A 47 -6.029 -0.721 -6.191 1.00 0.00 H new ATOM 0 HB THR A 47 -7.298 -1.539 -4.162 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.257 1.158 -5.055 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.147 -0.198 -2.096 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.615 -1.028 -2.454 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.785 0.711 -2.791 1.00 0.00 H new ATOM 798 N HIS A 48 -3.612 0.490 -4.461 1.00 0.00 N ATOM 799 CA HIS A 48 -2.714 1.625 -4.286 1.00 0.00 C ATOM 800 C HIS A 48 -1.715 1.710 -5.435 1.00 0.00 C ATOM 801 O HIS A 48 -1.087 2.746 -5.649 1.00 0.00 O ATOM 802 CB HIS A 48 -1.969 1.512 -2.955 1.00 0.00 C ATOM 803 CG HIS A 48 -2.684 2.166 -1.812 1.00 0.00 C ATOM 804 ND1 HIS A 48 -2.565 3.509 -1.519 1.00 0.00 N ATOM 805 CD2 HIS A 48 -3.531 1.655 -0.888 1.00 0.00 C ATOM 806 CE1 HIS A 48 -3.306 3.794 -0.464 1.00 0.00 C ATOM 807 NE2 HIS A 48 -3.903 2.687 -0.062 1.00 0.00 N ATOM 0 H HIS A 48 -3.257 -0.391 -4.088 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.315 2.535 -4.282 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.816 0.458 -2.722 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.982 1.962 -3.061 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.854 0.627 -0.814 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.407 4.767 -0.007 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.537 2.611 0.733 1.00 0.00 H new ATOM 815 N MET A 49 -1.572 0.612 -6.171 1.00 0.00 N ATOM 816 CA MET A 49 -0.649 0.564 -7.299 1.00 0.00 C ATOM 817 C MET A 49 -1.144 1.441 -8.445 1.00 0.00 C ATOM 818 O MET A 49 -0.350 2.042 -9.167 1.00 0.00 O ATOM 819 CB MET A 49 -0.475 -0.877 -7.782 1.00 0.00 C ATOM 820 CG MET A 49 0.402 -1.721 -6.871 1.00 0.00 C ATOM 821 SD MET A 49 1.291 -3.010 -7.764 1.00 0.00 S ATOM 822 CE MET A 49 0.037 -4.287 -7.855 1.00 0.00 C ATOM 0 H MET A 49 -2.083 -0.255 -6.006 1.00 0.00 H new ATOM 0 HA MET A 49 0.315 0.946 -6.964 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.456 -1.345 -7.864 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.042 -0.867 -8.782 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.119 -1.076 -6.363 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.217 -2.179 -6.100 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.013 -4.676 -8.872 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.291 -5.096 -7.170 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.930 -3.867 -7.579 1.00 0.00 H new ATOM 832 N SER A 50 -2.462 1.506 -8.607 1.00 0.00 N ATOM 833 CA SER A 50 -3.064 2.306 -9.667 1.00 0.00 C ATOM 834 C SER A 50 -4.397 2.895 -9.216 1.00 0.00 C ATOM 835 O SER A 50 -5.146 2.262 -8.471 1.00 0.00 O ATOM 836 CB SER A 50 -3.268 1.455 -10.923 1.00 0.00 C ATOM 837 OG SER A 50 -3.369 2.268 -12.079 1.00 0.00 O ATOM 0 H SER A 50 -3.133 1.014 -8.017 1.00 0.00 H new ATOM 0 HA SER A 50 -2.385 3.127 -9.898 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.435 0.760 -11.035 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.172 0.855 -10.817 1.00 0.00 H new ATOM 0 HG SER A 50 -3.497 1.701 -12.868 1.00 0.00 H new ATOM 843 N SER A 51 -4.685 4.109 -9.672 1.00 0.00 N ATOM 844 CA SER A 51 -5.926 4.785 -9.313 1.00 0.00 C ATOM 845 C SER A 51 -7.092 4.260 -10.144 1.00 0.00 C ATOM 846 O SER A 51 -8.157 3.944 -9.611 1.00 0.00 O ATOM 847 CB SER A 51 -5.783 6.296 -9.510 1.00 0.00 C ATOM 848 OG SER A 51 -5.867 6.640 -10.883 1.00 0.00 O ATOM 0 H SER A 51 -4.076 4.645 -10.291 1.00 0.00 H new ATOM 0 HA SER A 51 -6.132 4.580 -8.262 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.564 6.814 -8.953 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.828 6.630 -9.106 1.00 0.00 H new ATOM 0 HG SER A 51 -5.775 7.610 -10.983 1.00 0.00 H new ATOM 854 N CYS A 52 -6.884 4.170 -11.453 1.00 0.00 N ATOM 855 CA CYS A 52 -7.918 3.683 -12.359 1.00 0.00 C ATOM 856 C CYS A 52 -8.345 2.267 -11.988 1.00 0.00 C ATOM 857 O CYS A 52 -7.867 1.702 -11.003 1.00 0.00 O ATOM 858 CB CYS A 52 -7.414 3.714 -13.803 1.00 0.00 C ATOM 859 SG CYS A 52 -8.710 4.004 -15.030 1.00 0.00 S ATOM 0 H CYS A 52 -6.009 4.428 -11.910 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.784 4.339 -12.268 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -6.659 4.494 -13.896 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -6.923 2.767 -14.026 1.00 0.00 H new ATOM 0 HG CYS A 52 -8.186 4.015 -16.220 1.00 0.00 H new ATOM 865 N ARG A 53 -9.246 1.699 -12.782 1.00 0.00 N ATOM 866 CA ARG A 53 -9.739 0.349 -12.535 1.00 0.00 C ATOM 867 C ARG A 53 -8.597 -0.661 -12.566 1.00 0.00 C ATOM 868 O ARG A 53 -7.768 -0.650 -13.477 1.00 0.00 O ATOM 869 CB ARG A 53 -10.797 -0.029 -13.573 1.00 0.00 C ATOM 870 CG ARG A 53 -11.336 -1.440 -13.408 1.00 0.00 C ATOM 871 CD ARG A 53 -10.524 -2.444 -14.213 1.00 0.00 C ATOM 872 NE ARG A 53 -10.836 -2.382 -15.639 1.00 0.00 N ATOM 873 CZ ARG A 53 -11.918 -2.932 -16.179 1.00 0.00 C ATOM 874 NH1 ARG A 53 -12.787 -3.581 -15.416 1.00 0.00 N ATOM 875 NH2 ARG A 53 -12.133 -2.832 -17.485 1.00 0.00 N ATOM 0 H ARG A 53 -9.650 2.152 -13.602 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.191 0.330 -11.543 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.625 0.677 -13.509 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.368 0.073 -14.570 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.317 -1.717 -12.354 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.378 -1.473 -13.728 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.461 -2.252 -14.066 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.721 -3.450 -13.842 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.188 -1.890 -16.253 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.625 -3.659 -14.412 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.617 -4.002 -15.833 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.467 -2.333 -18.075 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.964 -3.255 -17.899 1.00 0.00 H new ATOM 889 N VAL A 54 -8.559 -1.536 -11.565 1.00 0.00 N ATOM 890 CA VAL A 54 -7.518 -2.554 -11.479 1.00 0.00 C ATOM 891 C VAL A 54 -8.117 -3.955 -11.518 1.00 0.00 C ATOM 892 O VAL A 54 -8.916 -4.325 -10.657 1.00 0.00 O ATOM 893 CB VAL A 54 -6.687 -2.398 -10.190 1.00 0.00 C ATOM 894 CG1 VAL A 54 -5.463 -3.300 -10.233 1.00 0.00 C ATOM 895 CG2 VAL A 54 -6.283 -0.946 -9.990 1.00 0.00 C ATOM 0 H VAL A 54 -9.237 -1.560 -10.803 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.866 -2.416 -12.342 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.302 -2.700 -9.342 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.888 -3.177 -9.315 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.780 -4.339 -10.326 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.843 -3.031 -11.088 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.697 -0.854 -9.075 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.685 -0.614 -10.839 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.177 -0.327 -9.912 1.00 0.00 H new ATOM 905 N ASP A 55 -7.725 -4.731 -12.523 1.00 0.00 N ATOM 906 CA ASP A 55 -8.221 -6.094 -12.674 1.00 0.00 C ATOM 907 C ASP A 55 -7.219 -7.102 -12.119 1.00 0.00 C ATOM 908 O ASP A 55 -7.593 -8.041 -11.415 1.00 0.00 O ATOM 909 CB ASP A 55 -8.503 -6.396 -14.147 1.00 0.00 C ATOM 910 CG ASP A 55 -9.538 -7.489 -14.327 1.00 0.00 C ATOM 911 OD1 ASP A 55 -10.649 -7.349 -13.774 1.00 0.00 O ATOM 912 OD2 ASP A 55 -9.237 -8.483 -15.019 1.00 0.00 O ATOM 0 H ASP A 55 -7.066 -4.440 -13.245 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.149 -6.181 -12.108 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.848 -5.488 -14.641 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.576 -6.693 -14.638 1.00 0.00 H new ATOM 917 N LYS A 56 -5.946 -6.902 -12.439 1.00 0.00 N ATOM 918 CA LYS A 56 -4.890 -7.792 -11.973 1.00 0.00 C ATOM 919 C LYS A 56 -3.588 -7.027 -11.760 1.00 0.00 C ATOM 920 O LYS A 56 -3.053 -6.399 -12.673 1.00 0.00 O ATOM 921 CB LYS A 56 -4.669 -8.926 -12.976 1.00 0.00 C ATOM 922 CG LYS A 56 -5.812 -9.925 -13.026 1.00 0.00 C ATOM 923 CD LYS A 56 -5.595 -10.966 -14.112 1.00 0.00 C ATOM 924 CE LYS A 56 -6.091 -10.474 -15.464 1.00 0.00 C ATOM 925 NZ LYS A 56 -5.442 -11.199 -16.590 1.00 0.00 N ATOM 0 H LYS A 56 -5.620 -6.130 -13.020 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.203 -8.216 -11.019 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.527 -8.499 -13.969 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.749 -9.452 -12.720 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.906 -10.420 -12.060 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.749 -9.399 -13.207 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.534 -11.208 -14.179 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.116 -11.886 -13.845 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.172 -10.604 -15.523 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.892 -9.406 -15.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.807 -10.835 -17.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.413 -11.055 -16.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.652 -12.215 -16.516 1.00 0.00 H new ATOM 939 N PRO A 57 -3.064 -7.080 -10.526 1.00 0.00 N ATOM 940 CA PRO A 57 -1.817 -6.399 -10.165 1.00 0.00 C ATOM 941 C PRO A 57 -0.597 -7.040 -10.817 1.00 0.00 C ATOM 942 O PRO A 57 0.489 -6.459 -10.830 1.00 0.00 O ATOM 943 CB PRO A 57 -1.754 -6.556 -8.644 1.00 0.00 C ATOM 944 CG PRO A 57 -2.555 -7.778 -8.356 1.00 0.00 C ATOM 945 CD PRO A 57 -3.648 -7.810 -9.388 1.00 0.00 C ATOM 0 HA PRO A 57 -1.807 -5.362 -10.501 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.726 -6.666 -8.300 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.167 -5.683 -8.138 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.936 -8.673 -8.415 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.970 -7.744 -7.349 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.914 -8.831 -9.660 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.557 -7.329 -9.026 1.00 0.00 H new ATOM 953 N SER A 58 -0.782 -8.241 -11.358 1.00 0.00 N ATOM 954 CA SER A 58 0.305 -8.962 -12.009 1.00 0.00 C ATOM 955 C SER A 58 0.604 -8.369 -13.382 1.00 0.00 C ATOM 956 O SER A 58 1.670 -8.602 -13.951 1.00 0.00 O ATOM 957 CB SER A 58 -0.049 -10.444 -12.147 1.00 0.00 C ATOM 958 OG SER A 58 0.657 -11.039 -13.223 1.00 0.00 O ATOM 0 H SER A 58 -1.675 -8.734 -11.358 1.00 0.00 H new ATOM 0 HA SER A 58 1.196 -8.865 -11.389 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.188 -10.966 -11.220 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.122 -10.551 -12.308 1.00 0.00 H new ATOM 0 HG SER A 58 0.415 -11.986 -13.289 1.00 0.00 H new ATOM 964 N GLU A 59 -0.345 -7.601 -13.909 1.00 0.00 N ATOM 965 CA GLU A 59 -0.184 -6.975 -15.216 1.00 0.00 C ATOM 966 C GLU A 59 0.134 -5.490 -15.072 1.00 0.00 C ATOM 967 O GLU A 59 0.197 -4.759 -16.061 1.00 0.00 O ATOM 968 CB GLU A 59 -1.450 -7.159 -16.053 1.00 0.00 C ATOM 969 CG GLU A 59 -2.680 -6.503 -15.449 1.00 0.00 C ATOM 970 CD GLU A 59 -3.678 -6.056 -16.499 1.00 0.00 C ATOM 971 OE1 GLU A 59 -3.273 -5.887 -17.668 1.00 0.00 O ATOM 972 OE2 GLU A 59 -4.864 -5.874 -16.151 1.00 0.00 O ATOM 0 H GLU A 59 -1.233 -7.398 -13.451 1.00 0.00 H new ATOM 0 HA GLU A 59 0.651 -7.459 -15.723 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.281 -6.747 -17.048 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.641 -8.225 -16.178 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.164 -7.204 -14.769 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.373 -5.642 -14.855 1.00 0.00 H new ATOM 979 N ILE A 60 0.332 -5.050 -13.834 1.00 0.00 N ATOM 980 CA ILE A 60 0.643 -3.652 -13.560 1.00 0.00 C ATOM 981 C ILE A 60 2.112 -3.477 -13.195 1.00 0.00 C ATOM 982 O ILE A 60 2.740 -2.483 -13.560 1.00 0.00 O ATOM 983 CB ILE A 60 -0.227 -3.095 -12.418 1.00 0.00 C ATOM 984 CG1 ILE A 60 -1.691 -3.494 -12.621 1.00 0.00 C ATOM 985 CG2 ILE A 60 -0.092 -1.582 -12.339 1.00 0.00 C ATOM 986 CD1 ILE A 60 -2.616 -2.968 -11.546 1.00 0.00 C ATOM 0 H ILE A 60 0.283 -5.641 -13.004 1.00 0.00 H new ATOM 0 HA ILE A 60 0.429 -3.097 -14.473 1.00 0.00 H new ATOM 0 HB ILE A 60 0.119 -3.521 -11.477 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.028 -3.127 -13.590 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.762 -4.581 -12.650 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.713 -1.203 -11.527 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.949 -1.319 -12.153 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.416 -1.138 -13.281 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.636 -3.290 -11.755 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.304 -3.356 -10.576 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.575 -1.879 -11.531 1.00 0.00 H new ATOM 998 N VAL A 61 2.658 -4.452 -12.475 1.00 0.00 N ATOM 999 CA VAL A 61 4.056 -4.408 -12.062 1.00 0.00 C ATOM 1000 C VAL A 61 4.748 -5.741 -12.323 1.00 0.00 C ATOM 1001 O VAL A 61 4.093 -6.766 -12.511 1.00 0.00 O ATOM 1002 CB VAL A 61 4.190 -4.055 -10.569 1.00 0.00 C ATOM 1003 CG1 VAL A 61 3.331 -2.848 -10.226 1.00 0.00 C ATOM 1004 CG2 VAL A 61 3.816 -5.250 -9.705 1.00 0.00 C ATOM 0 H VAL A 61 2.153 -5.282 -12.165 1.00 0.00 H new ATOM 0 HA VAL A 61 4.537 -3.630 -12.655 1.00 0.00 H new ATOM 0 HB VAL A 61 5.230 -3.799 -10.365 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.439 -2.614 -9.167 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.651 -1.993 -10.821 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.287 -3.071 -10.444 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.916 -4.984 -8.653 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.785 -5.539 -9.910 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.479 -6.085 -9.933 1.00 0.00 H new ATOM 1014 N ASP A 62 6.076 -5.720 -12.333 1.00 0.00 N ATOM 1015 CA ASP A 62 6.859 -6.927 -12.569 1.00 0.00 C ATOM 1016 C ASP A 62 8.242 -6.811 -11.936 1.00 0.00 C ATOM 1017 O ASP A 62 8.858 -5.744 -11.955 1.00 0.00 O ATOM 1018 CB ASP A 62 6.991 -7.190 -14.070 1.00 0.00 C ATOM 1019 CG ASP A 62 5.712 -6.886 -14.826 1.00 0.00 C ATOM 1020 OD1 ASP A 62 4.801 -7.739 -14.817 1.00 0.00 O ATOM 1021 OD2 ASP A 62 5.624 -5.794 -15.427 1.00 0.00 O ATOM 0 H ASP A 62 6.633 -4.879 -12.180 1.00 0.00 H new ATOM 0 HA ASP A 62 6.337 -7.765 -12.106 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.801 -6.582 -14.473 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.265 -8.233 -14.230 1.00 0.00 H new ATOM 1026 N VAL A 63 8.725 -7.915 -11.376 1.00 0.00 N ATOM 1027 CA VAL A 63 10.036 -7.936 -10.737 1.00 0.00 C ATOM 1028 C VAL A 63 11.102 -7.339 -11.649 1.00 0.00 C ATOM 1029 O VAL A 63 11.320 -7.814 -12.763 1.00 0.00 O ATOM 1030 CB VAL A 63 10.451 -9.370 -10.355 1.00 0.00 C ATOM 1031 CG1 VAL A 63 11.828 -9.374 -9.711 1.00 0.00 C ATOM 1032 CG2 VAL A 63 9.418 -9.992 -9.427 1.00 0.00 C ATOM 0 H VAL A 63 8.229 -8.806 -11.352 1.00 0.00 H new ATOM 0 HA VAL A 63 9.956 -7.334 -9.832 1.00 0.00 H new ATOM 0 HB VAL A 63 10.500 -9.970 -11.263 1.00 0.00 H new ATOM 0 HG11 VAL A 63 12.104 -10.395 -9.448 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.559 -8.970 -10.412 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.810 -8.760 -8.811 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.726 -11.005 -9.167 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.336 -9.393 -8.520 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.451 -10.025 -9.929 1.00 0.00 H new ATOM 1042 N GLY A 64 11.765 -6.292 -11.168 1.00 0.00 N ATOM 1043 CA GLY A 64 12.801 -5.645 -11.952 1.00 0.00 C ATOM 1044 C GLY A 64 12.465 -4.203 -12.280 1.00 0.00 C ATOM 1045 O GLY A 64 13.359 -3.378 -12.468 1.00 0.00 O ATOM 0 H GLY A 64 11.603 -5.880 -10.249 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.742 -5.680 -11.404 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.951 -6.200 -12.878 1.00 0.00 H new ATOM 1049 N ASP A 65 11.174 -3.900 -12.352 1.00 0.00 N ATOM 1050 CA ASP A 65 10.722 -2.548 -12.661 1.00 0.00 C ATOM 1051 C ASP A 65 10.833 -1.645 -11.436 1.00 0.00 C ATOM 1052 O ASP A 65 10.323 -1.969 -10.363 1.00 0.00 O ATOM 1053 CB ASP A 65 9.277 -2.573 -13.162 1.00 0.00 C ATOM 1054 CG ASP A 65 9.146 -3.236 -14.519 1.00 0.00 C ATOM 1055 OD1 ASP A 65 9.615 -4.385 -14.665 1.00 0.00 O ATOM 1056 OD2 ASP A 65 8.575 -2.608 -15.434 1.00 0.00 O ATOM 0 H ASP A 65 10.422 -4.572 -12.201 1.00 0.00 H new ATOM 0 HA ASP A 65 11.364 -2.147 -13.445 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.655 -3.102 -12.441 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.898 -1.553 -13.221 1.00 0.00 H new ATOM 1061 N LYS A 66 11.505 -0.512 -11.603 1.00 0.00 N ATOM 1062 CA LYS A 66 11.684 0.440 -10.512 1.00 0.00 C ATOM 1063 C LYS A 66 10.608 1.521 -10.551 1.00 0.00 C ATOM 1064 O LYS A 66 10.341 2.108 -11.600 1.00 0.00 O ATOM 1065 CB LYS A 66 13.071 1.082 -10.591 1.00 0.00 C ATOM 1066 CG LYS A 66 13.159 2.426 -9.889 1.00 0.00 C ATOM 1067 CD LYS A 66 14.559 3.011 -9.979 1.00 0.00 C ATOM 1068 CE LYS A 66 15.575 2.138 -9.260 1.00 0.00 C ATOM 1069 NZ LYS A 66 16.927 2.760 -9.240 1.00 0.00 N ATOM 0 H LYS A 66 11.935 -0.230 -12.484 1.00 0.00 H new ATOM 0 HA LYS A 66 11.595 -0.102 -9.571 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.802 0.403 -10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.344 1.210 -11.638 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.445 3.118 -10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.879 2.310 -8.842 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.844 3.116 -11.026 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.565 4.011 -9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.242 1.961 -8.237 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.630 1.166 -9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.590 2.133 -8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.256 2.906 -10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.881 3.676 -8.750 1.00 0.00 H new ATOM 1083 N VAL A 67 9.995 1.780 -9.400 1.00 0.00 N ATOM 1084 CA VAL A 67 8.950 2.792 -9.303 1.00 0.00 C ATOM 1085 C VAL A 67 9.061 3.572 -7.997 1.00 0.00 C ATOM 1086 O VAL A 67 9.825 3.203 -7.106 1.00 0.00 O ATOM 1087 CB VAL A 67 7.548 2.162 -9.394 1.00 0.00 C ATOM 1088 CG1 VAL A 67 7.363 1.460 -10.731 1.00 0.00 C ATOM 1089 CG2 VAL A 67 7.320 1.197 -8.240 1.00 0.00 C ATOM 0 H VAL A 67 10.204 1.303 -8.523 1.00 0.00 H new ATOM 0 HA VAL A 67 9.089 3.473 -10.143 1.00 0.00 H new ATOM 0 HB VAL A 67 6.807 2.958 -9.323 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.366 1.021 -10.777 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.479 2.181 -11.540 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.111 0.674 -10.836 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.324 0.762 -8.321 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.067 0.404 -8.276 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.406 1.733 -7.295 1.00 0.00 H new ATOM 1099 N TRP A 68 8.293 4.650 -7.892 1.00 0.00 N ATOM 1100 CA TRP A 68 8.304 5.483 -6.695 1.00 0.00 C ATOM 1101 C TRP A 68 7.129 5.143 -5.784 1.00 0.00 C ATOM 1102 O TRP A 68 5.993 5.024 -6.240 1.00 0.00 O ATOM 1103 CB TRP A 68 8.258 6.963 -7.077 1.00 0.00 C ATOM 1104 CG TRP A 68 9.510 7.443 -7.745 1.00 0.00 C ATOM 1105 CD1 TRP A 68 9.738 7.537 -9.089 1.00 0.00 C ATOM 1106 CD2 TRP A 68 10.707 7.894 -7.102 1.00 0.00 C ATOM 1107 NE1 TRP A 68 11.004 8.019 -9.319 1.00 0.00 N ATOM 1108 CE2 TRP A 68 11.618 8.247 -8.117 1.00 0.00 C ATOM 1109 CE3 TRP A 68 11.097 8.036 -5.767 1.00 0.00 C ATOM 1110 CZ2 TRP A 68 12.894 8.730 -7.836 1.00 0.00 C ATOM 1111 CZ3 TRP A 68 12.362 8.515 -5.490 1.00 0.00 C ATOM 1112 CH2 TRP A 68 13.249 8.858 -6.520 1.00 0.00 C ATOM 0 H TRP A 68 7.655 4.968 -8.621 1.00 0.00 H new ATOM 0 HA TRP A 68 9.229 5.284 -6.153 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.412 7.133 -7.742 1.00 0.00 H new ATOM 0 HB3 TRP A 68 8.083 7.557 -6.180 1.00 0.00 H new ATOM 0 HD1 TRP A 68 9.027 7.271 -9.858 1.00 0.00 H new ATOM 0 HE1 TRP A 68 11.419 8.181 -10.237 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.421 7.776 -4.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 13.579 8.994 -8.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.674 8.627 -4.462 1.00 0.00 H new ATOM 0 HH2 TRP A 68 14.232 9.230 -6.270 1.00 0.00 H new ATOM 1123 N VAL A 69 7.411 4.988 -4.494 1.00 0.00 N ATOM 1124 CA VAL A 69 6.378 4.663 -3.519 1.00 0.00 C ATOM 1125 C VAL A 69 6.458 5.582 -2.305 1.00 0.00 C ATOM 1126 O VAL A 69 7.514 6.135 -2.000 1.00 0.00 O ATOM 1127 CB VAL A 69 6.488 3.200 -3.050 1.00 0.00 C ATOM 1128 CG1 VAL A 69 6.430 2.252 -4.238 1.00 0.00 C ATOM 1129 CG2 VAL A 69 7.767 2.992 -2.253 1.00 0.00 C ATOM 0 H VAL A 69 8.347 5.083 -4.100 1.00 0.00 H new ATOM 0 HA VAL A 69 5.419 4.806 -4.016 1.00 0.00 H new ATOM 0 HB VAL A 69 5.641 2.980 -2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.509 1.223 -3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.484 2.384 -4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.255 2.468 -4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.829 1.953 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.628 3.229 -2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.762 3.644 -1.380 1.00 0.00 H new ATOM 1139 N LYS A 70 5.334 5.740 -1.615 1.00 0.00 N ATOM 1140 CA LYS A 70 5.276 6.590 -0.432 1.00 0.00 C ATOM 1141 C LYS A 70 4.639 5.850 0.739 1.00 0.00 C ATOM 1142 O LYS A 70 3.535 5.315 0.624 1.00 0.00 O ATOM 1143 CB LYS A 70 4.486 7.865 -0.734 1.00 0.00 C ATOM 1144 CG LYS A 70 4.335 8.787 0.465 1.00 0.00 C ATOM 1145 CD LYS A 70 3.073 9.626 0.369 1.00 0.00 C ATOM 1146 CE LYS A 70 1.839 8.823 0.751 1.00 0.00 C ATOM 1147 NZ LYS A 70 0.585 9.601 0.548 1.00 0.00 N ATOM 0 H LYS A 70 4.450 5.290 -1.855 1.00 0.00 H new ATOM 0 HA LYS A 70 6.296 6.858 -0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.982 8.408 -1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.496 7.591 -1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.310 8.194 1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.204 9.442 0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.161 10.493 1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.962 10.004 -0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.801 7.911 0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.913 8.519 1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.211 9.098 0.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.685 10.540 0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.405 9.709 -0.471 1.00 0.00 H new ATOM 1161 N LEU A 71 5.340 5.824 1.868 1.00 0.00 N ATOM 1162 CA LEU A 71 4.842 5.150 3.063 1.00 0.00 C ATOM 1163 C LEU A 71 3.534 5.776 3.536 1.00 0.00 C ATOM 1164 O LEU A 71 3.434 6.995 3.680 1.00 0.00 O ATOM 1165 CB LEU A 71 5.884 5.214 4.180 1.00 0.00 C ATOM 1166 CG LEU A 71 5.835 4.084 5.209 1.00 0.00 C ATOM 1167 CD1 LEU A 71 6.487 2.826 4.652 1.00 0.00 C ATOM 1168 CD2 LEU A 71 6.515 4.510 6.503 1.00 0.00 C ATOM 0 H LEU A 71 6.254 6.262 1.981 1.00 0.00 H new ATOM 0 HA LEU A 71 4.653 4.107 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.875 5.222 3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.767 6.162 4.705 1.00 0.00 H new ATOM 0 HG LEU A 71 4.790 3.862 5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.443 2.033 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.958 2.509 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.528 3.034 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.470 3.693 7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.557 4.760 6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.005 5.383 6.912 1.00 0.00 H new ATOM 1180 N ILE A 72 2.535 4.934 3.777 1.00 0.00 N ATOM 1181 CA ILE A 72 1.235 5.405 4.237 1.00 0.00 C ATOM 1182 C ILE A 72 0.910 4.858 5.624 1.00 0.00 C ATOM 1183 O ILE A 72 0.063 5.398 6.333 1.00 0.00 O ATOM 1184 CB ILE A 72 0.113 5.001 3.263 1.00 0.00 C ATOM 1185 CG1 ILE A 72 0.118 3.487 3.045 1.00 0.00 C ATOM 1186 CG2 ILE A 72 0.272 5.733 1.939 1.00 0.00 C ATOM 1187 CD1 ILE A 72 -0.850 3.027 1.977 1.00 0.00 C ATOM 0 H ILE A 72 2.601 3.923 3.661 1.00 0.00 H new ATOM 0 HA ILE A 72 1.292 6.493 4.282 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.845 5.283 3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.125 3.171 2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.128 2.992 3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.529 5.437 1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.224 6.808 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.235 5.479 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.793 1.943 1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.864 3.312 2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.592 3.494 1.026 1.00 0.00 H new ATOM 1199 N GLY A 73 1.593 3.782 6.003 1.00 0.00 N ATOM 1200 CA GLY A 73 1.365 3.179 7.304 1.00 0.00 C ATOM 1201 C GLY A 73 2.392 2.115 7.638 1.00 0.00 C ATOM 1202 O GLY A 73 2.463 1.081 6.974 1.00 0.00 O ATOM 0 H GLY A 73 2.300 3.317 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.388 3.955 8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.369 2.738 7.327 1.00 0.00 H new ATOM 1206 N ARG A 74 3.189 2.368 8.671 1.00 0.00 N ATOM 1207 CA ARG A 74 4.219 1.426 9.089 1.00 0.00 C ATOM 1208 C ARG A 74 3.950 0.921 10.504 1.00 0.00 C ATOM 1209 O ARG A 74 3.842 1.709 11.444 1.00 0.00 O ATOM 1210 CB ARG A 74 5.599 2.083 9.025 1.00 0.00 C ATOM 1211 CG ARG A 74 5.771 3.237 9.997 1.00 0.00 C ATOM 1212 CD ARG A 74 7.124 3.910 9.831 1.00 0.00 C ATOM 1213 NE ARG A 74 8.155 3.273 10.646 1.00 0.00 N ATOM 1214 CZ ARG A 74 8.846 2.207 10.256 1.00 0.00 C ATOM 1215 NH1 ARG A 74 8.617 1.661 9.069 1.00 0.00 N ATOM 1216 NH2 ARG A 74 9.769 1.684 11.055 1.00 0.00 N ATOM 0 H ARG A 74 3.141 3.218 9.233 1.00 0.00 H new ATOM 0 HA ARG A 74 4.197 0.576 8.407 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.360 1.330 9.230 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.773 2.444 8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.978 3.968 9.839 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.668 2.872 11.019 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.419 3.877 8.782 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.042 4.961 10.106 1.00 0.00 H new ATOM 0 HE ARG A 74 8.356 3.668 11.565 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.909 2.059 8.452 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.149 0.843 8.773 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.948 2.101 11.969 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.299 0.866 10.755 1.00 0.00 H new ATOM 1230 N GLU A 75 3.844 -0.397 10.647 1.00 0.00 N ATOM 1231 CA GLU A 75 3.587 -1.006 11.947 1.00 0.00 C ATOM 1232 C GLU A 75 4.540 -2.169 12.201 1.00 0.00 C ATOM 1233 O GLU A 75 4.612 -3.110 11.411 1.00 0.00 O ATOM 1234 CB GLU A 75 2.138 -1.491 12.029 1.00 0.00 C ATOM 1235 CG GLU A 75 1.172 -0.439 12.546 1.00 0.00 C ATOM 1236 CD GLU A 75 1.135 -0.375 14.061 1.00 0.00 C ATOM 1237 OE1 GLU A 75 2.203 -0.167 14.672 1.00 0.00 O ATOM 1238 OE2 GLU A 75 0.036 -0.533 14.634 1.00 0.00 O ATOM 0 H GLU A 75 3.932 -1.063 9.879 1.00 0.00 H new ATOM 0 HA GLU A 75 3.754 -0.250 12.714 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.815 -1.813 11.039 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.092 -2.365 12.679 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.458 0.536 12.152 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.172 -0.654 12.171 1.00 0.00 H new ATOM 1245 N MET A 76 5.271 -2.095 13.309 1.00 0.00 N ATOM 1246 CA MET A 76 6.221 -3.142 13.668 1.00 0.00 C ATOM 1247 C MET A 76 5.839 -3.791 14.995 1.00 0.00 C ATOM 1248 O MET A 76 5.785 -3.126 16.030 1.00 0.00 O ATOM 1249 CB MET A 76 7.637 -2.568 13.757 1.00 0.00 C ATOM 1250 CG MET A 76 7.875 -1.730 15.003 1.00 0.00 C ATOM 1251 SD MET A 76 9.327 -0.670 14.858 1.00 0.00 S ATOM 1252 CE MET A 76 10.633 -1.829 15.257 1.00 0.00 C ATOM 0 H MET A 76 5.224 -1.322 13.973 1.00 0.00 H new ATOM 0 HA MET A 76 6.194 -3.904 12.889 1.00 0.00 H new ATOM 0 HB2 MET A 76 8.355 -3.388 13.738 1.00 0.00 H new ATOM 0 HB3 MET A 76 7.829 -1.956 12.875 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.997 -1.113 15.195 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.995 -2.389 15.863 1.00 0.00 H new ATOM 0 HE1 MET A 76 11.597 -1.322 15.210 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.478 -2.220 16.262 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.621 -2.651 14.542 1.00 0.00 H new ATOM 1262 N LYS A 77 5.573 -5.092 14.956 1.00 0.00 N ATOM 1263 CA LYS A 77 5.197 -5.833 16.155 1.00 0.00 C ATOM 1264 C LYS A 77 6.252 -6.878 16.503 1.00 0.00 C ATOM 1265 O LYS A 77 6.923 -7.412 15.622 1.00 0.00 O ATOM 1266 CB LYS A 77 3.839 -6.509 15.957 1.00 0.00 C ATOM 1267 CG LYS A 77 3.036 -6.650 17.239 1.00 0.00 C ATOM 1268 CD LYS A 77 3.347 -7.957 17.949 1.00 0.00 C ATOM 1269 CE LYS A 77 2.351 -8.235 19.065 1.00 0.00 C ATOM 1270 NZ LYS A 77 2.425 -7.210 20.142 1.00 0.00 N ATOM 0 H LYS A 77 5.611 -5.656 14.107 1.00 0.00 H new ATOM 0 HA LYS A 77 5.126 -5.126 16.981 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.258 -5.934 15.236 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.994 -7.498 15.525 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.256 -5.813 17.902 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.971 -6.603 17.010 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.328 -8.776 17.230 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.355 -7.918 18.361 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.342 -8.258 18.654 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.545 -9.221 19.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.743 -7.444 20.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.386 -7.194 20.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.198 -6.275 19.747 1.00 0.00 H new ATOM 1284 N ASN A 78 6.390 -7.166 17.793 1.00 0.00 N ATOM 1285 CA ASN A 78 7.362 -8.148 18.258 1.00 0.00 C ATOM 1286 C ASN A 78 7.084 -9.519 17.647 1.00 0.00 C ATOM 1287 O ASN A 78 7.925 -10.416 17.702 1.00 0.00 O ATOM 1288 CB ASN A 78 7.334 -8.243 19.784 1.00 0.00 C ATOM 1289 CG ASN A 78 7.558 -6.900 20.451 1.00 0.00 C ATOM 1290 OD1 ASN A 78 8.178 -6.004 19.877 1.00 0.00 O ATOM 1291 ND2 ASN A 78 7.051 -6.753 21.670 1.00 0.00 N ATOM 0 H ASN A 78 5.840 -6.733 18.535 1.00 0.00 H new ATOM 0 HA ASN A 78 8.352 -7.821 17.940 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.373 -8.648 20.103 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.101 -8.943 20.116 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.169 -5.871 22.168 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.544 -7.522 22.108 1.00 0.00 H new ATOM 1298 N ASP A 79 5.900 -9.672 17.064 1.00 0.00 N ATOM 1299 CA ASP A 79 5.512 -10.931 16.441 1.00 0.00 C ATOM 1300 C ASP A 79 5.733 -10.883 14.933 1.00 0.00 C ATOM 1301 O ASP A 79 5.978 -11.908 14.298 1.00 0.00 O ATOM 1302 CB ASP A 79 4.046 -11.245 16.745 1.00 0.00 C ATOM 1303 CG ASP A 79 3.753 -12.731 16.717 1.00 0.00 C ATOM 1304 OD1 ASP A 79 4.012 -13.406 17.735 1.00 0.00 O ATOM 1305 OD2 ASP A 79 3.266 -13.222 15.676 1.00 0.00 O ATOM 0 H ASP A 79 5.193 -8.939 17.010 1.00 0.00 H new ATOM 0 HA ASP A 79 6.138 -11.721 16.856 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.788 -10.846 17.726 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.411 -10.739 16.018 1.00 0.00 H new ATOM 1310 N ARG A 80 5.642 -9.684 14.365 1.00 0.00 N ATOM 1311 CA ARG A 80 5.829 -9.501 12.931 1.00 0.00 C ATOM 1312 C ARG A 80 5.790 -8.022 12.561 1.00 0.00 C ATOM 1313 O ARG A 80 5.215 -7.207 13.284 1.00 0.00 O ATOM 1314 CB ARG A 80 4.752 -10.262 12.153 1.00 0.00 C ATOM 1315 CG ARG A 80 3.377 -9.618 12.231 1.00 0.00 C ATOM 1316 CD ARG A 80 2.359 -10.378 11.397 1.00 0.00 C ATOM 1317 NE ARG A 80 1.274 -9.516 10.938 1.00 0.00 N ATOM 1318 CZ ARG A 80 0.270 -9.938 10.178 1.00 0.00 C ATOM 1319 NH1 ARG A 80 0.213 -11.206 9.794 1.00 0.00 N ATOM 1320 NH2 ARG A 80 -0.681 -9.092 9.800 1.00 0.00 N ATOM 0 H ARG A 80 5.440 -8.825 14.877 1.00 0.00 H new ATOM 0 HA ARG A 80 6.809 -9.898 12.665 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.052 -10.333 11.108 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.690 -11.280 12.536 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.047 -9.586 13.269 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.437 -8.587 11.884 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.857 -10.824 10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.947 -11.197 11.986 1.00 0.00 H new ATOM 0 HE ARG A 80 1.288 -8.535 11.217 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.941 -11.859 10.082 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.559 -11.528 9.210 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.641 -8.116 10.093 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.451 -9.418 9.216 1.00 0.00 H new ATOM 1334 N ILE A 81 6.404 -7.682 11.433 1.00 0.00 N ATOM 1335 CA ILE A 81 6.438 -6.302 10.967 1.00 0.00 C ATOM 1336 C ILE A 81 5.846 -6.179 9.568 1.00 0.00 C ATOM 1337 O ILE A 81 6.232 -6.904 8.651 1.00 0.00 O ATOM 1338 CB ILE A 81 7.875 -5.747 10.955 1.00 0.00 C ATOM 1339 CG1 ILE A 81 8.507 -5.877 12.343 1.00 0.00 C ATOM 1340 CG2 ILE A 81 7.880 -4.296 10.498 1.00 0.00 C ATOM 1341 CD1 ILE A 81 9.944 -5.405 12.399 1.00 0.00 C ATOM 0 H ILE A 81 6.885 -8.344 10.824 1.00 0.00 H new ATOM 0 HA ILE A 81 5.838 -5.719 11.665 1.00 0.00 H new ATOM 0 HB ILE A 81 8.468 -6.330 10.250 1.00 0.00 H new ATOM 0 HG12 ILE A 81 7.916 -5.303 13.057 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.463 -6.920 12.657 1.00 0.00 H new ATOM 0 HG21 ILE A 81 8.903 -3.919 10.495 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.466 -4.230 9.492 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.275 -3.698 11.179 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.328 -5.526 13.412 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.548 -5.995 11.709 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.993 -4.354 12.116 1.00 0.00 H new ATOM 1353 N LYS A 82 4.906 -5.253 9.409 1.00 0.00 N ATOM 1354 CA LYS A 82 4.261 -5.029 8.121 1.00 0.00 C ATOM 1355 C LYS A 82 4.312 -3.555 7.735 1.00 0.00 C ATOM 1356 O LYS A 82 3.941 -2.684 8.521 1.00 0.00 O ATOM 1357 CB LYS A 82 2.807 -5.506 8.166 1.00 0.00 C ATOM 1358 CG LYS A 82 2.638 -6.977 7.827 1.00 0.00 C ATOM 1359 CD LYS A 82 1.362 -7.544 8.426 1.00 0.00 C ATOM 1360 CE LYS A 82 0.168 -7.313 7.514 1.00 0.00 C ATOM 1361 NZ LYS A 82 -0.444 -5.972 7.730 1.00 0.00 N ATOM 0 H LYS A 82 4.574 -4.645 10.158 1.00 0.00 H new ATOM 0 HA LYS A 82 4.802 -5.602 7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.404 -5.323 9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.217 -4.911 7.469 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.620 -7.102 6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.496 -7.538 8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.485 -8.613 8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.176 -7.080 9.395 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.482 -7.406 6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.580 -8.086 7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.423 -5.977 7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.441 -5.749 8.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.104 -5.253 7.216 1.00 0.00 H new ATOM 1375 N VAL A 83 4.772 -3.282 6.518 1.00 0.00 N ATOM 1376 CA VAL A 83 4.868 -1.912 6.026 1.00 0.00 C ATOM 1377 C VAL A 83 3.946 -1.691 4.833 1.00 0.00 C ATOM 1378 O VAL A 83 3.920 -2.490 3.898 1.00 0.00 O ATOM 1379 CB VAL A 83 6.312 -1.564 5.617 1.00 0.00 C ATOM 1380 CG1 VAL A 83 6.432 -0.082 5.297 1.00 0.00 C ATOM 1381 CG2 VAL A 83 7.287 -1.961 6.714 1.00 0.00 C ATOM 0 H VAL A 83 5.084 -3.991 5.855 1.00 0.00 H new ATOM 0 HA VAL A 83 4.562 -1.259 6.843 1.00 0.00 H new ATOM 0 HB VAL A 83 6.563 -2.128 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.458 0.146 5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.761 0.168 4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.162 0.503 6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.302 -1.708 6.408 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.040 -1.426 7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.218 -3.034 6.891 1.00 0.00 H new ATOM 1391 N SER A 84 3.189 -0.599 4.872 1.00 0.00 N ATOM 1392 CA SER A 84 2.262 -0.271 3.795 1.00 0.00 C ATOM 1393 C SER A 84 2.820 0.843 2.917 1.00 0.00 C ATOM 1394 O SER A 84 3.257 1.882 3.414 1.00 0.00 O ATOM 1395 CB SER A 84 0.907 0.146 4.370 1.00 0.00 C ATOM 1396 OG SER A 84 0.066 -0.979 4.563 1.00 0.00 O ATOM 0 H SER A 84 3.200 0.074 5.638 1.00 0.00 H new ATOM 0 HA SER A 84 2.129 -1.161 3.180 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.054 0.661 5.319 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.424 0.853 3.695 1.00 0.00 H new ATOM 0 HG SER A 84 -0.793 -0.686 4.933 1.00 0.00 H new ATOM 1402 N LEU A 85 2.803 0.621 1.607 1.00 0.00 N ATOM 1403 CA LEU A 85 3.307 1.606 0.657 1.00 0.00 C ATOM 1404 C LEU A 85 2.260 1.926 -0.404 1.00 0.00 C ATOM 1405 O LEU A 85 1.372 1.117 -0.678 1.00 0.00 O ATOM 1406 CB LEU A 85 4.585 1.094 -0.010 1.00 0.00 C ATOM 1407 CG LEU A 85 5.697 0.633 0.934 1.00 0.00 C ATOM 1408 CD1 LEU A 85 6.839 0.008 0.149 1.00 0.00 C ATOM 1409 CD2 LEU A 85 6.198 1.798 1.775 1.00 0.00 C ATOM 0 H LEU A 85 2.445 -0.233 1.179 1.00 0.00 H new ATOM 0 HA LEU A 85 3.532 2.520 1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.322 0.262 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.981 1.885 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 85 5.289 -0.124 1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.620 -0.314 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.469 -0.853 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.247 0.742 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.989 1.452 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.589 2.577 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.375 2.200 2.366 1.00 0.00 H new ATOM 1421 N SER A 86 2.369 3.109 -1.000 1.00 0.00 N ATOM 1422 CA SER A 86 1.429 3.536 -2.030 1.00 0.00 C ATOM 1423 C SER A 86 2.170 4.048 -3.263 1.00 0.00 C ATOM 1424 O SER A 86 3.234 4.657 -3.152 1.00 0.00 O ATOM 1425 CB SER A 86 0.505 4.628 -1.487 1.00 0.00 C ATOM 1426 OG SER A 86 1.248 5.661 -0.865 1.00 0.00 O ATOM 0 H SER A 86 3.099 3.789 -0.787 1.00 0.00 H new ATOM 0 HA SER A 86 0.829 2.673 -2.319 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.090 5.043 -2.300 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.193 4.195 -0.770 1.00 0.00 H new ATOM 0 HG SER A 86 2.042 5.280 -0.436 1.00 0.00 H new ATOM 1432 N MET A 87 1.600 3.795 -4.436 1.00 0.00 N ATOM 1433 CA MET A 87 2.205 4.231 -5.689 1.00 0.00 C ATOM 1434 C MET A 87 1.262 5.153 -6.456 1.00 0.00 C ATOM 1435 O MET A 87 1.694 5.932 -7.306 1.00 0.00 O ATOM 1436 CB MET A 87 2.568 3.021 -6.552 1.00 0.00 C ATOM 1437 CG MET A 87 3.664 2.154 -5.953 1.00 0.00 C ATOM 1438 SD MET A 87 3.729 0.510 -6.689 1.00 0.00 S ATOM 1439 CE MET A 87 3.972 0.921 -8.415 1.00 0.00 C ATOM 0 H MET A 87 0.720 3.290 -4.545 1.00 0.00 H new ATOM 0 HA MET A 87 3.113 4.785 -5.452 1.00 0.00 H new ATOM 0 HB2 MET A 87 1.676 2.412 -6.703 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.887 3.368 -7.535 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.627 2.647 -6.089 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.502 2.061 -4.879 1.00 0.00 H new ATOM 0 HE1 MET A 87 4.524 0.120 -8.906 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.003 1.044 -8.900 1.00 0.00 H new ATOM 0 HE3 MET A 87 4.536 1.850 -8.492 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.028 5.060 -6.151 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.031 5.886 -6.810 1.00 0.00 C ATOM 1451 C LYS A 88 -0.951 7.330 -6.328 1.00 0.00 C ATOM 1452 O LYS A 88 -1.584 8.222 -6.894 1.00 0.00 O ATOM 1453 CB LYS A 88 -2.432 5.328 -6.548 1.00 0.00 C ATOM 1454 CG LYS A 88 -2.896 5.496 -5.112 1.00 0.00 C ATOM 1455 CD LYS A 88 -4.374 5.177 -4.961 1.00 0.00 C ATOM 1456 CE LYS A 88 -4.804 5.203 -3.502 1.00 0.00 C ATOM 1457 NZ LYS A 88 -6.107 4.513 -3.296 1.00 0.00 N ATOM 0 H LYS A 88 -0.403 4.420 -5.451 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.832 5.868 -7.882 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.141 5.825 -7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.445 4.268 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.314 4.843 -4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.709 6.519 -4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.963 5.898 -5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.580 4.194 -5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.039 4.725 -2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.883 6.237 -3.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.365 4.552 -2.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.842 4.984 -3.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.025 3.520 -3.594 1.00 0.00 H new ATOM 1471 N VAL A 89 -0.164 7.556 -5.279 1.00 0.00 N ATOM 1472 CA VAL A 89 0.002 8.893 -4.723 1.00 0.00 C ATOM 1473 C VAL A 89 1.410 9.422 -4.974 1.00 0.00 C ATOM 1474 O VAL A 89 1.815 10.435 -4.403 1.00 0.00 O ATOM 1475 CB VAL A 89 -0.278 8.910 -3.209 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -1.754 8.664 -2.935 1.00 0.00 C ATOM 1477 CG2 VAL A 89 0.583 7.878 -2.496 1.00 0.00 C ATOM 0 H VAL A 89 0.368 6.830 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.720 9.536 -5.226 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.020 9.896 -2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.932 8.680 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.348 9.444 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.041 7.692 -3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.372 7.904 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.359 6.885 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.636 8.104 -2.663 1.00 0.00 H new ATOM 1487 N VAL A 90 2.151 8.729 -5.832 1.00 0.00 N ATOM 1488 CA VAL A 90 3.515 9.130 -6.161 1.00 0.00 C ATOM 1489 C VAL A 90 3.754 9.079 -7.666 1.00 0.00 C ATOM 1490 O VAL A 90 3.262 8.185 -8.353 1.00 0.00 O ATOM 1491 CB VAL A 90 4.548 8.230 -5.457 1.00 0.00 C ATOM 1492 CG1 VAL A 90 5.935 8.849 -5.536 1.00 0.00 C ATOM 1493 CG2 VAL A 90 4.145 7.986 -4.011 1.00 0.00 C ATOM 0 H VAL A 90 1.831 7.888 -6.312 1.00 0.00 H new ATOM 0 HA VAL A 90 3.638 10.155 -5.811 1.00 0.00 H new ATOM 0 HB VAL A 90 4.575 7.268 -5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.652 8.200 -5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.222 8.967 -6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.926 9.825 -5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.886 7.348 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.088 8.938 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.172 7.496 -3.982 1.00 0.00 H new ATOM 1503 N ASN A 91 4.514 10.045 -8.170 1.00 0.00 N ATOM 1504 CA ASN A 91 4.820 10.112 -9.595 1.00 0.00 C ATOM 1505 C ASN A 91 5.890 9.090 -9.970 1.00 0.00 C ATOM 1506 O ASN A 91 6.972 9.067 -9.384 1.00 0.00 O ATOM 1507 CB ASN A 91 5.288 11.518 -9.973 1.00 0.00 C ATOM 1508 CG ASN A 91 5.439 11.694 -11.471 1.00 0.00 C ATOM 1509 OD1 ASN A 91 6.139 10.924 -12.131 1.00 0.00 O ATOM 1510 ND2 ASN A 91 4.783 12.712 -12.017 1.00 0.00 N ATOM 0 H ASN A 91 4.929 10.792 -7.614 1.00 0.00 H new ATOM 0 HA ASN A 91 3.910 9.879 -10.147 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.574 12.250 -9.594 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.242 11.723 -9.488 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.848 12.881 -13.021 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.215 13.325 -11.432 1.00 0.00 H new ATOM 1517 N GLN A 92 5.579 8.249 -10.951 1.00 0.00 N ATOM 1518 CA GLN A 92 6.514 7.225 -11.404 1.00 0.00 C ATOM 1519 C GLN A 92 7.464 7.784 -12.457 1.00 0.00 C ATOM 1520 O GLN A 92 7.706 7.154 -13.486 1.00 0.00 O ATOM 1521 CB GLN A 92 5.754 6.025 -11.971 1.00 0.00 C ATOM 1522 CG GLN A 92 5.040 5.201 -10.911 1.00 0.00 C ATOM 1523 CD GLN A 92 3.691 5.778 -10.533 1.00 0.00 C ATOM 1524 OE1 GLN A 92 3.001 6.369 -11.365 1.00 0.00 O ATOM 1525 NE2 GLN A 92 3.307 5.611 -9.273 1.00 0.00 N ATOM 0 H GLN A 92 4.688 8.256 -11.447 1.00 0.00 H new ATOM 0 HA GLN A 92 7.102 6.900 -10.546 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.023 6.379 -12.698 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.453 5.384 -12.508 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.906 4.183 -11.277 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.667 5.139 -10.021 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.911 5.115 -8.617 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.408 5.979 -8.961 1.00 0.00 H new ATOM 1534 N GLY A 93 8.001 8.972 -12.193 1.00 0.00 N ATOM 1535 CA GLY A 93 8.918 9.596 -13.128 1.00 0.00 C ATOM 1536 C GLY A 93 9.882 10.547 -12.448 1.00 0.00 C ATOM 1537 O GLY A 93 11.045 10.652 -12.840 1.00 0.00 O ATOM 0 H GLY A 93 7.817 9.513 -11.348 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.482 8.823 -13.649 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.349 10.139 -13.883 1.00 0.00 H new ATOM 1541 N THR A 94 9.399 11.244 -11.424 1.00 0.00 N ATOM 1542 CA THR A 94 10.225 12.194 -10.688 1.00 0.00 C ATOM 1543 C THR A 94 10.242 11.870 -9.199 1.00 0.00 C ATOM 1544 O THR A 94 11.193 12.202 -8.492 1.00 0.00 O ATOM 1545 CB THR A 94 9.728 13.639 -10.882 1.00 0.00 C ATOM 1546 OG1 THR A 94 8.385 13.763 -10.401 1.00 0.00 O ATOM 1547 CG2 THR A 94 9.786 14.039 -12.349 1.00 0.00 C ATOM 0 H THR A 94 8.440 11.168 -11.085 1.00 0.00 H new ATOM 0 HA THR A 94 11.236 12.109 -11.087 1.00 0.00 H new ATOM 0 HB THR A 94 10.380 14.304 -10.315 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.077 14.685 -10.526 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.430 15.063 -12.461 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.814 13.971 -12.704 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.155 13.370 -12.934 1.00 0.00 H new ATOM 1555 N GLY A 95 9.183 11.219 -8.728 1.00 0.00 N ATOM 1556 CA GLY A 95 9.096 10.860 -7.323 1.00 0.00 C ATOM 1557 C GLY A 95 8.602 12.005 -6.462 1.00 0.00 C ATOM 1558 O GLY A 95 8.980 12.124 -5.296 1.00 0.00 O ATOM 0 H GLY A 95 8.384 10.933 -9.293 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.425 10.008 -7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.077 10.542 -6.971 1.00 0.00 H new ATOM 1562 N LYS A 96 7.756 12.854 -7.037 1.00 0.00 N ATOM 1563 CA LYS A 96 7.209 13.996 -6.314 1.00 0.00 C ATOM 1564 C LYS A 96 5.834 13.670 -5.742 1.00 0.00 C ATOM 1565 O LYS A 96 4.979 13.113 -6.432 1.00 0.00 O ATOM 1566 CB LYS A 96 7.112 15.212 -7.240 1.00 0.00 C ATOM 1567 CG LYS A 96 7.204 16.540 -6.510 1.00 0.00 C ATOM 1568 CD LYS A 96 7.429 17.692 -7.475 1.00 0.00 C ATOM 1569 CE LYS A 96 6.163 18.030 -8.245 1.00 0.00 C ATOM 1570 NZ LYS A 96 6.202 19.413 -8.799 1.00 0.00 N ATOM 0 H LYS A 96 7.435 12.772 -8.002 1.00 0.00 H new ATOM 0 HA LYS A 96 7.881 14.227 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.909 15.158 -7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.168 15.170 -7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.287 16.710 -5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.020 16.504 -5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.766 18.570 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.223 17.432 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.032 17.317 -9.059 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.300 17.926 -7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.321 19.605 -9.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.302 20.096 -8.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.011 19.505 -9.446 1.00 0.00 H new ATOM 1584 N ASP A 97 5.626 14.021 -4.477 1.00 0.00 N ATOM 1585 CA ASP A 97 4.354 13.768 -3.813 1.00 0.00 C ATOM 1586 C ASP A 97 3.195 14.350 -4.618 1.00 0.00 C ATOM 1587 O ASP A 97 3.166 15.546 -4.909 1.00 0.00 O ATOM 1588 CB ASP A 97 4.362 14.364 -2.404 1.00 0.00 C ATOM 1589 CG ASP A 97 3.250 13.811 -1.535 1.00 0.00 C ATOM 1590 OD1 ASP A 97 2.501 12.934 -2.015 1.00 0.00 O ATOM 1591 OD2 ASP A 97 3.128 14.255 -0.374 1.00 0.00 O ATOM 0 H ASP A 97 6.323 14.482 -3.892 1.00 0.00 H new ATOM 0 HA ASP A 97 4.218 12.689 -3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.323 14.160 -1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 97 4.263 15.447 -2.470 1.00 0.00 H new ATOM 1596 N LEU A 98 2.242 13.496 -4.975 1.00 0.00 N ATOM 1597 CA LEU A 98 1.081 13.924 -5.747 1.00 0.00 C ATOM 1598 C LEU A 98 -0.078 14.294 -4.827 1.00 0.00 C ATOM 1599 O LEU A 98 -0.894 15.155 -5.158 1.00 0.00 O ATOM 1600 CB LEU A 98 0.649 12.817 -6.711 1.00 0.00 C ATOM 1601 CG LEU A 98 1.698 12.365 -7.727 1.00 0.00 C ATOM 1602 CD1 LEU A 98 1.253 11.086 -8.421 1.00 0.00 C ATOM 1603 CD2 LEU A 98 1.960 13.463 -8.747 1.00 0.00 C ATOM 0 H LEU A 98 2.251 12.503 -4.742 1.00 0.00 H new ATOM 0 HA LEU A 98 1.362 14.807 -6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.344 11.951 -6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.231 13.160 -7.255 1.00 0.00 H new ATOM 0 HG LEU A 98 2.627 12.161 -7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.012 10.779 -9.141 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.116 10.298 -7.680 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.311 11.263 -8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.709 13.124 -9.462 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.035 13.698 -9.274 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.323 14.355 -8.236 1.00 0.00 H new ATOM 1615 N ASP A 99 -0.143 13.640 -3.673 1.00 0.00 N ATOM 1616 CA ASP A 99 -1.200 13.903 -2.704 1.00 0.00 C ATOM 1617 C ASP A 99 -0.613 14.270 -1.345 1.00 0.00 C ATOM 1618 O ASP A 99 -0.532 13.447 -0.433 1.00 0.00 O ATOM 1619 CB ASP A 99 -2.111 12.682 -2.567 1.00 0.00 C ATOM 1620 CG ASP A 99 -3.265 12.706 -3.549 1.00 0.00 C ATOM 1621 OD1 ASP A 99 -3.909 13.768 -3.680 1.00 0.00 O ATOM 1622 OD2 ASP A 99 -3.525 11.664 -4.187 1.00 0.00 O ATOM 0 H ASP A 99 0.524 12.924 -3.386 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.788 14.747 -3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.525 11.776 -2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.503 12.638 -1.551 1.00 0.00 H new ATOM 1627 N PRO A 100 -0.190 15.535 -1.205 1.00 0.00 N ATOM 1628 CA PRO A 100 0.399 16.040 0.039 1.00 0.00 C ATOM 1629 C PRO A 100 -0.628 16.155 1.161 1.00 0.00 C ATOM 1630 O PRO A 100 -0.293 16.525 2.286 1.00 0.00 O ATOM 1631 CB PRO A 100 0.921 17.424 -0.351 1.00 0.00 C ATOM 1632 CG PRO A 100 0.076 17.835 -1.507 1.00 0.00 C ATOM 1633 CD PRO A 100 -0.255 16.571 -2.250 1.00 0.00 C ATOM 0 HA PRO A 100 1.169 15.373 0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.831 18.129 0.476 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.975 17.387 -0.625 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.830 18.337 -1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.608 18.537 -2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.244 16.620 -2.706 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.457 16.378 -3.052 1.00 0.00 H new ATOM 1641 N ASN A 101 -1.879 15.835 0.847 1.00 0.00 N ATOM 1642 CA ASN A 101 -2.955 15.902 1.830 1.00 0.00 C ATOM 1643 C ASN A 101 -3.065 14.595 2.607 1.00 0.00 C ATOM 1644 O ASN A 101 -3.507 14.577 3.754 1.00 0.00 O ATOM 1645 CB ASN A 101 -4.285 16.213 1.140 1.00 0.00 C ATOM 1646 CG ASN A 101 -4.460 15.439 -0.152 1.00 0.00 C ATOM 1647 OD1 ASN A 101 -3.892 14.361 -0.325 1.00 0.00 O ATOM 1648 ND2 ASN A 101 -5.252 15.987 -1.067 1.00 0.00 N ATOM 0 H ASN A 101 -2.173 15.527 -0.080 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.722 16.702 2.533 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.106 15.976 1.816 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.342 17.281 0.931 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.409 15.512 -1.956 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.703 16.883 -0.881 1.00 0.00 H new ATOM 1655 N ASN A 102 -2.661 13.499 1.971 1.00 0.00 N ATOM 1656 CA ASN A 102 -2.714 12.186 2.602 1.00 0.00 C ATOM 1657 C ASN A 102 -4.117 11.890 3.125 1.00 0.00 C ATOM 1658 O ASN A 102 -4.283 11.370 4.228 1.00 0.00 O ATOM 1659 CB ASN A 102 -1.703 12.105 3.747 1.00 0.00 C ATOM 1660 CG ASN A 102 -0.412 12.833 3.430 1.00 0.00 C ATOM 1661 OD1 ASN A 102 -0.393 14.139 3.672 1.00 0.00 O flip ATOM 1662 ND2 ASN A 102 0.559 12.229 2.973 1.00 0.00 N flip ATOM 0 H ASN A 102 -2.294 13.495 1.019 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.460 11.439 1.850 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -2.144 12.530 4.649 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.484 11.059 3.961 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.501 11.225 2.802 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.421 12.733 2.765 1.00 0.00 H new ATOM 1669 N VAL A 103 -5.124 12.226 2.326 1.00 0.00 N ATOM 1670 CA VAL A 103 -6.512 11.995 2.706 1.00 0.00 C ATOM 1671 C VAL A 103 -7.084 10.778 1.989 1.00 0.00 C ATOM 1672 O VAL A 103 -8.012 10.135 2.480 1.00 0.00 O ATOM 1673 CB VAL A 103 -7.391 13.221 2.393 1.00 0.00 C ATOM 1674 CG1 VAL A 103 -7.507 13.426 0.891 1.00 0.00 C ATOM 1675 CG2 VAL A 103 -8.766 13.066 3.026 1.00 0.00 C ATOM 0 H VAL A 103 -5.004 12.660 1.411 1.00 0.00 H new ATOM 0 HA VAL A 103 -6.519 11.816 3.781 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.917 14.105 2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -8.132 14.296 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.515 13.585 0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.958 12.543 0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.374 13.941 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.250 12.173 2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -8.661 12.973 4.107 1.00 0.00 H new ATOM 1685 N ILE A 104 -6.524 10.466 0.825 1.00 0.00 N ATOM 1686 CA ILE A 104 -6.977 9.324 0.041 1.00 0.00 C ATOM 1687 C ILE A 104 -6.606 8.010 0.719 1.00 0.00 C ATOM 1688 O ILE A 104 -7.431 7.102 0.828 1.00 0.00 O ATOM 1689 CB ILE A 104 -6.380 9.343 -1.378 1.00 0.00 C ATOM 1690 CG1 ILE A 104 -6.841 10.592 -2.133 1.00 0.00 C ATOM 1691 CG2 ILE A 104 -6.773 8.085 -2.136 1.00 0.00 C ATOM 1692 CD1 ILE A 104 -5.946 11.792 -1.921 1.00 0.00 C ATOM 0 H ILE A 104 -5.756 10.988 0.404 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.062 9.400 -0.029 1.00 0.00 H new ATOM 0 HB ILE A 104 -5.293 9.370 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.886 10.366 -3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.853 10.844 -1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.343 8.114 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -6.399 7.209 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -7.859 8.029 -2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.334 12.640 -2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.920 12.044 -0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -4.938 11.559 -2.263 1.00 0.00 H new ATOM 1704 N ILE A 105 -5.360 7.915 1.173 1.00 0.00 N ATOM 1705 CA ILE A 105 -4.881 6.713 1.844 1.00 0.00 C ATOM 1706 C ILE A 105 -5.816 6.306 2.978 1.00 0.00 C ATOM 1707 O ILE A 105 -5.877 5.137 3.354 1.00 0.00 O ATOM 1708 CB ILE A 105 -3.462 6.911 2.408 1.00 0.00 C ATOM 1709 CG1 ILE A 105 -3.484 7.922 3.558 1.00 0.00 C ATOM 1710 CG2 ILE A 105 -2.515 7.370 1.311 1.00 0.00 C ATOM 1711 CD1 ILE A 105 -3.708 7.289 4.914 1.00 0.00 C ATOM 0 H ILE A 105 -4.664 8.656 1.088 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.858 5.921 1.095 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.104 5.957 2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.539 8.466 3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.270 8.654 3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.516 7.505 1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.481 6.619 0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.868 8.315 0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.712 8.064 5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.666 6.769 4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.908 6.578 5.120 1.00 0.00 H new ATOM 1723 N GLU A 106 -6.543 7.281 3.516 1.00 0.00 N ATOM 1724 CA GLU A 106 -7.476 7.022 4.607 1.00 0.00 C ATOM 1725 C GLU A 106 -8.623 6.130 4.142 1.00 0.00 C ATOM 1726 O GLU A 106 -8.816 5.030 4.658 1.00 0.00 O ATOM 1727 CB GLU A 106 -8.029 8.339 5.157 1.00 0.00 C ATOM 1728 CG GLU A 106 -8.795 8.181 6.460 1.00 0.00 C ATOM 1729 CD GLU A 106 -9.170 9.512 7.081 1.00 0.00 C ATOM 1730 OE1 GLU A 106 -9.328 10.495 6.328 1.00 0.00 O ATOM 1731 OE2 GLU A 106 -9.306 9.570 8.322 1.00 0.00 O ATOM 0 H GLU A 106 -6.504 8.255 3.215 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.935 6.504 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.203 9.033 5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.686 8.787 4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -9.700 7.602 6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -8.190 7.612 7.166 1.00 0.00 H new