USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 665 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 18 SER OG : rot 180:sc= -0.0398 USER MOD Set 1.2: A 79 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.0444 X(o=-0.044,f=-0.013) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0646 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -130:sc= 0.0025 (180deg=-1.57!) USER MOD Single : A 37 SER OG : rot 99:sc= 0.816 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.884) USER MOD Single : A 46 HIS : no HD1:sc= -2.34! C(o=-2.3!,f=-6.7!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0534 K(o=-0.053,f=-0.69) USER MOD Single : A 53 ASN : amide:sc= -4.38! C(o=-4.4!,f=-6.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -5.93! C(o=-5.9!,f=-8.5!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 67 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-5.4!) USER MOD Single : A 71 THR OG1 : rot -58:sc= 1.01 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 141:sc= 1.22 (180deg=0.287) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 134:sc= -0.0278 (180deg=-1.15!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0065 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.2) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= -0.138 K(o=-0.14,f=-2.1!) USER MOD Single : A 100 THR OG1 : rot -35:sc= 0.104 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 219 N SER A 18 0.525 -7.797 -5.176 1.00 0.00 N ATOM 220 CA SER A 18 -0.073 -7.506 -3.878 1.00 0.00 C ATOM 221 C SER A 18 0.412 -6.160 -3.347 1.00 0.00 C ATOM 222 O SER A 18 1.183 -5.461 -4.006 1.00 0.00 O ATOM 223 CB SER A 18 0.264 -8.613 -2.878 1.00 0.00 C ATOM 224 OG SER A 18 -0.696 -9.654 -2.927 1.00 0.00 O ATOM 0 HA SER A 18 -1.154 -7.459 -4.006 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.253 -9.016 -3.096 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.304 -8.198 -1.871 1.00 0.00 H new ATOM 0 HG SER A 18 -0.457 -10.350 -2.280 1.00 0.00 H new ATOM 230 N LEU A 19 -0.045 -5.803 -2.152 1.00 0.00 N ATOM 231 CA LEU A 19 0.341 -4.541 -1.530 1.00 0.00 C ATOM 232 C LEU A 19 1.829 -4.270 -1.727 1.00 0.00 C ATOM 233 O LEU A 19 2.226 -3.160 -2.081 1.00 0.00 O ATOM 234 CB LEU A 19 0.008 -4.563 -0.038 1.00 0.00 C ATOM 235 CG LEU A 19 -1.479 -4.609 0.318 1.00 0.00 C ATOM 236 CD1 LEU A 19 -1.670 -5.064 1.756 1.00 0.00 C ATOM 237 CD2 LEU A 19 -2.122 -3.247 0.098 1.00 0.00 C ATOM 0 H LEU A 19 -0.684 -6.370 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.222 -3.740 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.495 -5.429 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.444 -3.678 0.424 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.968 -5.330 -0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.734 -5.091 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.246 -6.060 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.167 -4.368 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.180 -3.298 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.630 -2.506 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.017 -2.960 -0.948 1.00 0.00 H new ATOM 249 N TYR A 20 2.646 -5.292 -1.499 1.00 0.00 N ATOM 250 CA TYR A 20 4.091 -5.164 -1.651 1.00 0.00 C ATOM 251 C TYR A 20 4.436 -4.242 -2.816 1.00 0.00 C ATOM 252 O TYR A 20 5.275 -3.349 -2.689 1.00 0.00 O ATOM 253 CB TYR A 20 4.726 -6.538 -1.868 1.00 0.00 C ATOM 254 CG TYR A 20 4.135 -7.623 -0.996 1.00 0.00 C ATOM 255 CD1 TYR A 20 4.321 -7.614 0.381 1.00 0.00 C ATOM 256 CD2 TYR A 20 3.389 -8.657 -1.549 1.00 0.00 C ATOM 257 CE1 TYR A 20 3.783 -8.603 1.181 1.00 0.00 C ATOM 258 CE2 TYR A 20 2.847 -9.650 -0.756 1.00 0.00 C ATOM 259 CZ TYR A 20 3.047 -9.619 0.608 1.00 0.00 C ATOM 260 OH TYR A 20 2.509 -10.606 1.402 1.00 0.00 O ATOM 0 H TYR A 20 2.333 -6.218 -1.208 1.00 0.00 H new ATOM 0 HA TYR A 20 4.490 -4.728 -0.735 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.610 -6.821 -2.914 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.796 -6.469 -1.673 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.896 -6.820 0.834 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.230 -8.685 -2.617 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.938 -8.581 2.250 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.270 -10.446 -1.202 1.00 0.00 H new ATOM 0 HH TYR A 20 2.019 -11.245 0.843 1.00 0.00 H new ATOM 270 N HIS A 21 3.782 -4.464 -3.952 1.00 0.00 N ATOM 271 CA HIS A 21 4.018 -3.652 -5.141 1.00 0.00 C ATOM 272 C HIS A 21 3.775 -2.175 -4.847 1.00 0.00 C ATOM 273 O HIS A 21 4.553 -1.314 -5.259 1.00 0.00 O ATOM 274 CB HIS A 21 3.115 -4.113 -6.285 1.00 0.00 C ATOM 275 CG HIS A 21 3.697 -3.865 -7.643 1.00 0.00 C ATOM 276 ND1 HIS A 21 3.036 -3.162 -8.628 1.00 0.00 N ATOM 277 CD2 HIS A 21 4.885 -4.231 -8.178 1.00 0.00 C ATOM 278 CE1 HIS A 21 3.792 -3.107 -9.710 1.00 0.00 C ATOM 279 NE2 HIS A 21 4.920 -3.748 -9.462 1.00 0.00 N ATOM 0 H HIS A 21 3.085 -5.199 -4.074 1.00 0.00 H new ATOM 0 HA HIS A 21 5.059 -3.778 -5.437 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.916 -5.179 -6.173 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.156 -3.600 -6.210 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.661 -4.798 -7.686 1.00 0.00 H new ATOM 0 HE1 HIS A 21 3.532 -2.621 -10.639 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.692 -3.865 -10.118 1.00 0.00 H new ATOM 287 N VAL A 22 2.690 -1.889 -4.135 1.00 0.00 N ATOM 288 CA VAL A 22 2.344 -0.516 -3.786 1.00 0.00 C ATOM 289 C VAL A 22 3.575 0.264 -3.338 1.00 0.00 C ATOM 290 O VAL A 22 3.697 1.460 -3.606 1.00 0.00 O ATOM 291 CB VAL A 22 1.286 -0.470 -2.668 1.00 0.00 C ATOM 292 CG1 VAL A 22 1.046 0.963 -2.218 1.00 0.00 C ATOM 293 CG2 VAL A 22 -0.010 -1.116 -3.134 1.00 0.00 C ATOM 0 H VAL A 22 2.035 -2.590 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 22 1.932 -0.056 -4.684 1.00 0.00 H new ATOM 0 HB VAL A 22 1.660 -1.035 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.295 0.975 -1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.977 1.387 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.693 1.555 -3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.746 -1.075 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.391 -0.581 -4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.177 -2.156 -3.401 1.00 0.00 H new ATOM 303 N LEU A 23 4.486 -0.421 -2.656 1.00 0.00 N ATOM 304 CA LEU A 23 5.710 0.208 -2.170 1.00 0.00 C ATOM 305 C LEU A 23 6.872 -0.056 -3.123 1.00 0.00 C ATOM 306 O LEU A 23 7.630 0.853 -3.460 1.00 0.00 O ATOM 307 CB LEU A 23 6.054 -0.311 -0.773 1.00 0.00 C ATOM 308 CG LEU A 23 4.931 -0.243 0.263 1.00 0.00 C ATOM 309 CD1 LEU A 23 5.248 -1.134 1.454 1.00 0.00 C ATOM 310 CD2 LEU A 23 4.709 1.193 0.715 1.00 0.00 C ATOM 0 H LEU A 23 4.401 -1.411 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 23 5.541 1.284 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.377 -1.348 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.905 0.257 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 23 4.013 -0.604 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.438 -1.072 2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.357 -2.165 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.177 -0.804 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.906 1.223 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.625 1.580 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.436 1.807 -0.144 1.00 0.00 H new ATOM 322 N GLY A 24 7.006 -1.306 -3.555 1.00 0.00 N ATOM 323 CA GLY A 24 8.076 -1.666 -4.466 1.00 0.00 C ATOM 324 C GLY A 24 8.899 -2.835 -3.961 1.00 0.00 C ATOM 325 O GLY A 24 10.124 -2.841 -4.087 1.00 0.00 O ATOM 0 H GLY A 24 6.392 -2.076 -3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.652 -1.917 -5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.727 -0.805 -4.615 1.00 0.00 H new ATOM 329 N LEU A 25 8.226 -3.825 -3.385 1.00 0.00 N ATOM 330 CA LEU A 25 8.903 -5.004 -2.857 1.00 0.00 C ATOM 331 C LEU A 25 8.299 -6.282 -3.431 1.00 0.00 C ATOM 332 O LEU A 25 7.378 -6.233 -4.246 1.00 0.00 O ATOM 333 CB LEU A 25 8.815 -5.026 -1.330 1.00 0.00 C ATOM 334 CG LEU A 25 9.541 -3.897 -0.600 1.00 0.00 C ATOM 335 CD1 LEU A 25 9.096 -3.827 0.853 1.00 0.00 C ATOM 336 CD2 LEU A 25 11.049 -4.086 -0.689 1.00 0.00 C ATOM 0 H LEU A 25 7.212 -3.835 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 25 9.951 -4.954 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.763 -4.998 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.215 -5.976 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 25 9.284 -2.954 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.624 -3.017 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.023 -3.643 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.322 -4.771 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.549 -3.273 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.324 -5.037 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.355 -4.084 -1.735 1.00 0.00 H new ATOM 348 N ASP A 26 8.823 -7.424 -2.999 1.00 0.00 N ATOM 349 CA ASP A 26 8.333 -8.715 -3.468 1.00 0.00 C ATOM 350 C ASP A 26 7.678 -9.493 -2.331 1.00 0.00 C ATOM 351 O ASP A 26 7.559 -8.995 -1.211 1.00 0.00 O ATOM 352 CB ASP A 26 9.479 -9.532 -4.066 1.00 0.00 C ATOM 353 CG ASP A 26 10.660 -9.652 -3.123 1.00 0.00 C ATOM 354 OD1 ASP A 26 10.448 -10.041 -1.955 1.00 0.00 O ATOM 355 OD2 ASP A 26 11.795 -9.355 -3.552 1.00 0.00 O ATOM 0 H ASP A 26 9.587 -7.482 -2.325 1.00 0.00 H new ATOM 0 HA ASP A 26 7.584 -8.534 -4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.117 -10.529 -4.319 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.806 -9.067 -4.996 1.00 0.00 H new ATOM 360 N LYS A 27 7.252 -10.716 -2.626 1.00 0.00 N ATOM 361 CA LYS A 27 6.608 -11.564 -1.629 1.00 0.00 C ATOM 362 C LYS A 27 7.601 -11.988 -0.552 1.00 0.00 C ATOM 363 O LYS A 27 7.240 -12.136 0.615 1.00 0.00 O ATOM 364 CB LYS A 27 6.004 -12.802 -2.296 1.00 0.00 C ATOM 365 CG LYS A 27 4.870 -12.483 -3.255 1.00 0.00 C ATOM 366 CD LYS A 27 3.559 -12.271 -2.516 1.00 0.00 C ATOM 367 CE LYS A 27 2.801 -13.578 -2.339 1.00 0.00 C ATOM 368 NZ LYS A 27 1.328 -13.363 -2.293 1.00 0.00 N ATOM 0 H LYS A 27 7.341 -11.143 -3.548 1.00 0.00 H new ATOM 0 HA LYS A 27 5.812 -10.987 -1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.788 -13.332 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.637 -13.478 -1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.116 -11.588 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.758 -13.297 -3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.758 -11.829 -1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.940 -11.562 -3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.044 -14.253 -3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.126 -14.065 -1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.847 -14.277 -2.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.093 -12.739 -1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.014 -12.922 -3.181 1.00 0.00 H new ATOM 382 N ASN A 28 8.854 -12.181 -0.952 1.00 0.00 N ATOM 383 CA ASN A 28 9.900 -12.587 -0.019 1.00 0.00 C ATOM 384 C ASN A 28 10.489 -11.377 0.699 1.00 0.00 C ATOM 385 O ASN A 28 11.605 -11.431 1.214 1.00 0.00 O ATOM 386 CB ASN A 28 11.005 -13.344 -0.759 1.00 0.00 C ATOM 387 CG ASN A 28 10.460 -14.454 -1.635 1.00 0.00 C ATOM 388 OD1 ASN A 28 10.466 -14.352 -2.862 1.00 0.00 O ATOM 389 ND2 ASN A 28 9.984 -15.524 -1.007 1.00 0.00 N ATOM 0 H ASN A 28 9.170 -12.063 -1.915 1.00 0.00 H new ATOM 0 HA ASN A 28 9.453 -13.246 0.726 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.571 -12.645 -1.374 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.701 -13.766 -0.034 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.604 -16.303 -1.544 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.999 -15.566 0.012 1.00 0.00 H new ATOM 396 N ALA A 29 9.730 -10.286 0.728 1.00 0.00 N ATOM 397 CA ALA A 29 10.175 -9.063 1.385 1.00 0.00 C ATOM 398 C ALA A 29 9.985 -9.151 2.895 1.00 0.00 C ATOM 399 O ALA A 29 8.921 -9.540 3.377 1.00 0.00 O ATOM 400 CB ALA A 29 9.427 -7.862 0.826 1.00 0.00 C ATOM 0 H ALA A 29 8.804 -10.224 0.304 1.00 0.00 H new ATOM 0 HA ALA A 29 11.239 -8.939 1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.769 -6.956 1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.617 -7.781 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.358 -7.988 0.996 1.00 0.00 H new ATOM 406 N THR A 30 11.025 -8.788 3.640 1.00 0.00 N ATOM 407 CA THR A 30 10.973 -8.827 5.096 1.00 0.00 C ATOM 408 C THR A 30 10.485 -7.500 5.665 1.00 0.00 C ATOM 409 O THR A 30 10.806 -6.433 5.141 1.00 0.00 O ATOM 410 CB THR A 30 12.353 -9.155 5.698 1.00 0.00 C ATOM 411 OG1 THR A 30 13.363 -8.357 5.070 1.00 0.00 O ATOM 412 CG2 THR A 30 12.683 -10.629 5.525 1.00 0.00 C ATOM 0 H THR A 30 11.914 -8.464 3.258 1.00 0.00 H new ATOM 0 HA THR A 30 10.270 -9.615 5.366 1.00 0.00 H new ATOM 0 HB THR A 30 12.323 -8.929 6.764 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.237 -8.570 5.459 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.662 -10.836 5.958 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.928 -11.232 6.029 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.696 -10.877 4.464 1.00 0.00 H new ATOM 420 N SER A 31 9.707 -7.573 6.740 1.00 0.00 N ATOM 421 CA SER A 31 9.172 -6.377 7.379 1.00 0.00 C ATOM 422 C SER A 31 10.169 -5.225 7.299 1.00 0.00 C ATOM 423 O SER A 31 9.807 -4.098 6.962 1.00 0.00 O ATOM 424 CB SER A 31 8.825 -6.665 8.841 1.00 0.00 C ATOM 425 OG SER A 31 7.816 -7.655 8.940 1.00 0.00 O ATOM 0 H SER A 31 9.433 -8.448 7.187 1.00 0.00 H new ATOM 0 HA SER A 31 8.265 -6.087 6.848 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.718 -6.997 9.371 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.488 -5.748 9.326 1.00 0.00 H new ATOM 0 HG SER A 31 7.613 -7.822 9.884 1.00 0.00 H new ATOM 431 N ASP A 32 11.427 -5.518 7.610 1.00 0.00 N ATOM 432 CA ASP A 32 12.479 -4.508 7.573 1.00 0.00 C ATOM 433 C ASP A 32 12.521 -3.818 6.213 1.00 0.00 C ATOM 434 O ASP A 32 12.601 -2.592 6.130 1.00 0.00 O ATOM 435 CB ASP A 32 13.836 -5.144 7.879 1.00 0.00 C ATOM 436 CG ASP A 32 14.047 -5.372 9.363 1.00 0.00 C ATOM 437 OD1 ASP A 32 13.635 -4.504 10.161 1.00 0.00 O ATOM 438 OD2 ASP A 32 14.625 -6.417 9.726 1.00 0.00 O ATOM 0 H ASP A 32 11.743 -6.446 7.890 1.00 0.00 H new ATOM 0 HA ASP A 32 12.258 -3.759 8.334 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.915 -6.096 7.353 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.629 -4.502 7.497 1.00 0.00 H new ATOM 443 N ASP A 33 12.469 -4.613 5.150 1.00 0.00 N ATOM 444 CA ASP A 33 12.501 -4.079 3.794 1.00 0.00 C ATOM 445 C ASP A 33 11.308 -3.162 3.542 1.00 0.00 C ATOM 446 O ASP A 33 11.397 -2.212 2.763 1.00 0.00 O ATOM 447 CB ASP A 33 12.508 -5.219 2.774 1.00 0.00 C ATOM 448 CG ASP A 33 13.710 -6.130 2.932 1.00 0.00 C ATOM 449 OD1 ASP A 33 14.758 -5.651 3.414 1.00 0.00 O ATOM 450 OD2 ASP A 33 13.601 -7.321 2.575 1.00 0.00 O ATOM 0 H ASP A 33 12.404 -5.630 5.201 1.00 0.00 H new ATOM 0 HA ASP A 33 13.415 -3.495 3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.595 -5.805 2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.502 -4.802 1.767 1.00 0.00 H new ATOM 455 N ILE A 34 10.194 -3.453 4.205 1.00 0.00 N ATOM 456 CA ILE A 34 8.984 -2.655 4.053 1.00 0.00 C ATOM 457 C ILE A 34 9.093 -1.340 4.818 1.00 0.00 C ATOM 458 O ILE A 34 8.533 -0.323 4.409 1.00 0.00 O ATOM 459 CB ILE A 34 7.740 -3.419 4.542 1.00 0.00 C ATOM 460 CG1 ILE A 34 7.636 -4.773 3.836 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.484 -2.594 4.306 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.631 -5.709 4.470 1.00 0.00 C ATOM 0 H ILE A 34 10.104 -4.236 4.853 1.00 0.00 H new ATOM 0 HA ILE A 34 8.876 -2.446 2.989 1.00 0.00 H new ATOM 0 HB ILE A 34 7.838 -3.596 5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.362 -4.610 2.794 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.616 -5.250 3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.613 -3.148 4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.559 -1.653 4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.378 -2.389 3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.610 -6.649 3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.916 -5.902 5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.642 -5.252 4.445 1.00 0.00 H new ATOM 474 N LYS A 35 9.820 -1.368 5.930 1.00 0.00 N ATOM 475 CA LYS A 35 10.007 -0.178 6.752 1.00 0.00 C ATOM 476 C LYS A 35 10.988 0.788 6.096 1.00 0.00 C ATOM 477 O LYS A 35 10.669 1.956 5.870 1.00 0.00 O ATOM 478 CB LYS A 35 10.512 -0.568 8.143 1.00 0.00 C ATOM 479 CG LYS A 35 9.488 -1.325 8.971 1.00 0.00 C ATOM 480 CD LYS A 35 10.035 -1.684 10.342 1.00 0.00 C ATOM 481 CE LYS A 35 8.951 -2.256 11.243 1.00 0.00 C ATOM 482 NZ LYS A 35 9.504 -2.737 12.540 1.00 0.00 N ATOM 0 H LYS A 35 10.289 -2.202 6.283 1.00 0.00 H new ATOM 0 HA LYS A 35 9.043 0.321 6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.407 -1.182 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.806 0.334 8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.590 -0.718 9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.194 -2.234 8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.841 -2.410 10.235 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.465 -0.797 10.807 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.195 -1.493 11.431 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.452 -3.080 10.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.734 -3.119 13.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.207 -3.483 12.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.958 -1.945 13.039 1.00 0.00 H new ATOM 496 N LYS A 36 12.183 0.294 5.791 1.00 0.00 N ATOM 497 CA LYS A 36 13.211 1.112 5.158 1.00 0.00 C ATOM 498 C LYS A 36 12.705 1.702 3.845 1.00 0.00 C ATOM 499 O LYS A 36 13.057 2.824 3.481 1.00 0.00 O ATOM 500 CB LYS A 36 14.470 0.280 4.904 1.00 0.00 C ATOM 501 CG LYS A 36 14.346 -0.666 3.723 1.00 0.00 C ATOM 502 CD LYS A 36 15.708 -1.118 3.224 1.00 0.00 C ATOM 503 CE LYS A 36 15.625 -1.694 1.819 1.00 0.00 C ATOM 504 NZ LYS A 36 15.319 -3.151 1.834 1.00 0.00 N ATOM 0 H LYS A 36 12.464 -0.670 5.972 1.00 0.00 H new ATOM 0 HA LYS A 36 13.455 1.931 5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 36 15.311 0.952 4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.700 -0.298 5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.757 -1.536 4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.807 -0.171 2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.398 -0.274 3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.114 -1.868 3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.855 -1.167 1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.570 -1.527 1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.997 -3.654 1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.391 -3.511 2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.354 -3.307 1.478 1.00 0.00 H new ATOM 518 N SER A 37 11.877 0.938 3.139 1.00 0.00 N ATOM 519 CA SER A 37 11.325 1.384 1.865 1.00 0.00 C ATOM 520 C SER A 37 10.218 2.411 2.083 1.00 0.00 C ATOM 521 O SER A 37 10.160 3.433 1.399 1.00 0.00 O ATOM 522 CB SER A 37 10.782 0.192 1.075 1.00 0.00 C ATOM 523 OG SER A 37 11.838 -0.607 0.569 1.00 0.00 O ATOM 0 H SER A 37 11.574 0.008 3.428 1.00 0.00 H new ATOM 0 HA SER A 37 12.126 1.854 1.294 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.140 -0.412 1.717 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.164 0.549 0.251 1.00 0.00 H new ATOM 0 HG SER A 37 11.976 -1.378 1.158 1.00 0.00 H new ATOM 529 N TYR A 38 9.340 2.131 3.040 1.00 0.00 N ATOM 530 CA TYR A 38 8.232 3.028 3.347 1.00 0.00 C ATOM 531 C TYR A 38 8.739 4.435 3.649 1.00 0.00 C ATOM 532 O TYR A 38 8.099 5.426 3.297 1.00 0.00 O ATOM 533 CB TYR A 38 7.433 2.495 4.537 1.00 0.00 C ATOM 534 CG TYR A 38 6.702 3.572 5.306 1.00 0.00 C ATOM 535 CD1 TYR A 38 5.699 4.323 4.705 1.00 0.00 C ATOM 536 CD2 TYR A 38 7.014 3.839 6.633 1.00 0.00 C ATOM 537 CE1 TYR A 38 5.029 5.309 5.404 1.00 0.00 C ATOM 538 CE2 TYR A 38 6.348 4.822 7.340 1.00 0.00 C ATOM 539 CZ TYR A 38 5.357 5.554 6.721 1.00 0.00 C ATOM 540 OH TYR A 38 4.692 6.535 7.421 1.00 0.00 O ATOM 0 H TYR A 38 9.374 1.290 3.616 1.00 0.00 H new ATOM 0 HA TYR A 38 7.582 3.075 2.473 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.710 1.761 4.180 1.00 0.00 H new ATOM 0 HB3 TYR A 38 8.109 1.973 5.214 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.439 4.133 3.674 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.791 3.268 7.121 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.253 5.885 4.922 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.602 5.016 8.372 1.00 0.00 H new ATOM 0 HH TYR A 38 5.042 6.579 8.335 1.00 0.00 H new ATOM 550 N ARG A 39 9.892 4.514 4.304 1.00 0.00 N ATOM 551 CA ARG A 39 10.485 5.799 4.655 1.00 0.00 C ATOM 552 C ARG A 39 10.703 6.655 3.411 1.00 0.00 C ATOM 553 O ARG A 39 10.050 7.684 3.230 1.00 0.00 O ATOM 554 CB ARG A 39 11.815 5.589 5.381 1.00 0.00 C ATOM 555 CG ARG A 39 11.658 5.091 6.809 1.00 0.00 C ATOM 556 CD ARG A 39 12.954 5.227 7.592 1.00 0.00 C ATOM 557 NE ARG A 39 13.158 6.587 8.082 1.00 0.00 N ATOM 558 CZ ARG A 39 14.275 6.996 8.674 1.00 0.00 C ATOM 559 NH1 ARG A 39 15.283 6.153 8.849 1.00 0.00 N ATOM 560 NH2 ARG A 39 14.385 8.251 9.092 1.00 0.00 N ATOM 0 H ARG A 39 10.435 3.703 4.603 1.00 0.00 H new ATOM 0 HA ARG A 39 9.795 6.321 5.318 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.416 4.874 4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.366 6.530 5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.870 5.655 7.308 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.346 4.047 6.799 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.942 4.536 8.435 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.793 4.941 6.957 1.00 0.00 H new ATOM 0 HE ARG A 39 12.401 7.260 7.963 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.202 5.188 8.529 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.139 6.469 9.304 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.612 8.903 8.959 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.243 8.564 9.546 1.00 0.00 H new ATOM 574 N LYS A 40 11.624 6.224 2.556 1.00 0.00 N ATOM 575 CA LYS A 40 11.928 6.950 1.328 1.00 0.00 C ATOM 576 C LYS A 40 10.647 7.354 0.604 1.00 0.00 C ATOM 577 O LYS A 40 10.549 8.456 0.063 1.00 0.00 O ATOM 578 CB LYS A 40 12.798 6.092 0.407 1.00 0.00 C ATOM 579 CG LYS A 40 12.216 4.718 0.125 1.00 0.00 C ATOM 580 CD LYS A 40 12.875 4.070 -1.081 1.00 0.00 C ATOM 581 CE LYS A 40 14.134 3.312 -0.687 1.00 0.00 C ATOM 582 NZ LYS A 40 15.309 4.218 -0.558 1.00 0.00 N ATOM 0 H LYS A 40 12.173 5.375 2.691 1.00 0.00 H new ATOM 0 HA LYS A 40 12.474 7.855 1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.941 6.617 -0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.783 5.974 0.858 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.347 4.080 0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.143 4.805 -0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.172 3.387 -1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.125 4.835 -1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.967 2.797 0.259 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.346 2.547 -1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.177 3.696 -0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.200 5.022 -1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.371 4.569 0.419 1.00 0.00 H new ATOM 596 N LEU A 41 9.668 6.456 0.598 1.00 0.00 N ATOM 597 CA LEU A 41 8.393 6.720 -0.059 1.00 0.00 C ATOM 598 C LEU A 41 7.605 7.789 0.691 1.00 0.00 C ATOM 599 O LEU A 41 6.870 8.570 0.087 1.00 0.00 O ATOM 600 CB LEU A 41 7.569 5.434 -0.152 1.00 0.00 C ATOM 601 CG LEU A 41 8.206 4.283 -0.932 1.00 0.00 C ATOM 602 CD1 LEU A 41 7.371 3.020 -0.796 1.00 0.00 C ATOM 603 CD2 LEU A 41 8.372 4.660 -2.397 1.00 0.00 C ATOM 0 H LEU A 41 9.733 5.539 1.040 1.00 0.00 H new ATOM 0 HA LEU A 41 8.599 7.086 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.358 5.088 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.611 5.673 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 41 9.193 4.088 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.840 2.212 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.303 2.740 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.370 3.201 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.827 3.830 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.396 4.882 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.012 5.538 -2.476 1.00 0.00 H new ATOM 615 N ALA A 42 7.765 7.819 2.010 1.00 0.00 N ATOM 616 CA ALA A 42 7.073 8.795 2.842 1.00 0.00 C ATOM 617 C ALA A 42 7.749 10.160 2.765 1.00 0.00 C ATOM 618 O ALA A 42 7.094 11.196 2.890 1.00 0.00 O ATOM 619 CB ALA A 42 7.015 8.313 4.284 1.00 0.00 C ATOM 0 H ALA A 42 8.368 7.178 2.525 1.00 0.00 H new ATOM 0 HA ALA A 42 6.056 8.901 2.465 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.495 9.052 4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.480 7.364 4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.028 8.177 4.663 1.00 0.00 H new ATOM 625 N LEU A 43 9.061 10.154 2.559 1.00 0.00 N ATOM 626 CA LEU A 43 9.826 11.393 2.466 1.00 0.00 C ATOM 627 C LEU A 43 9.647 12.042 1.098 1.00 0.00 C ATOM 628 O LEU A 43 9.870 13.242 0.934 1.00 0.00 O ATOM 629 CB LEU A 43 11.309 11.119 2.723 1.00 0.00 C ATOM 630 CG LEU A 43 11.780 11.280 4.169 1.00 0.00 C ATOM 631 CD1 LEU A 43 12.894 10.293 4.480 1.00 0.00 C ATOM 632 CD2 LEU A 43 12.243 12.708 4.423 1.00 0.00 C ATOM 0 H LEU A 43 9.617 9.306 2.453 1.00 0.00 H new ATOM 0 HA LEU A 43 9.452 12.080 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.531 10.102 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.896 11.788 2.094 1.00 0.00 H new ATOM 0 HG LEU A 43 10.940 11.069 4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.217 10.422 5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.529 9.276 4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.736 10.473 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.575 12.805 5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 43 13.069 12.947 3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.417 13.396 4.241 1.00 0.00 H new ATOM 644 N LYS A 44 9.241 11.242 0.117 1.00 0.00 N ATOM 645 CA LYS A 44 9.028 11.738 -1.237 1.00 0.00 C ATOM 646 C LYS A 44 7.555 12.055 -1.475 1.00 0.00 C ATOM 647 O LYS A 44 7.220 12.938 -2.265 1.00 0.00 O ATOM 648 CB LYS A 44 9.511 10.709 -2.261 1.00 0.00 C ATOM 649 CG LYS A 44 8.515 9.590 -2.515 1.00 0.00 C ATOM 650 CD LYS A 44 9.051 8.584 -3.520 1.00 0.00 C ATOM 651 CE LYS A 44 8.839 9.057 -4.950 1.00 0.00 C ATOM 652 NZ LYS A 44 9.381 8.088 -5.941 1.00 0.00 N ATOM 0 H LYS A 44 9.053 10.246 0.235 1.00 0.00 H new ATOM 0 HA LYS A 44 9.603 12.657 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.722 11.217 -3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.450 10.277 -1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.289 9.083 -1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.580 10.011 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.114 8.423 -3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.555 7.624 -3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.774 9.203 -5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.321 10.025 -5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.217 8.447 -6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.402 7.968 -5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.903 7.171 -5.827 1.00 0.00 H new ATOM 666 N TYR A 45 6.680 11.332 -0.785 1.00 0.00 N ATOM 667 CA TYR A 45 5.243 11.536 -0.922 1.00 0.00 C ATOM 668 C TYR A 45 4.658 12.160 0.341 1.00 0.00 C ATOM 669 O TYR A 45 3.449 12.114 0.568 1.00 0.00 O ATOM 670 CB TYR A 45 4.544 10.208 -1.219 1.00 0.00 C ATOM 671 CG TYR A 45 4.862 9.649 -2.587 1.00 0.00 C ATOM 672 CD1 TYR A 45 4.437 10.297 -3.740 1.00 0.00 C ATOM 673 CD2 TYR A 45 5.589 8.473 -2.727 1.00 0.00 C ATOM 674 CE1 TYR A 45 4.725 9.789 -4.992 1.00 0.00 C ATOM 675 CE2 TYR A 45 5.883 7.958 -3.975 1.00 0.00 C ATOM 676 CZ TYR A 45 5.448 8.620 -5.105 1.00 0.00 C ATOM 677 OH TYR A 45 5.738 8.112 -6.350 1.00 0.00 O ATOM 0 H TYR A 45 6.941 10.599 -0.125 1.00 0.00 H new ATOM 0 HA TYR A 45 5.077 12.221 -1.754 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.832 9.478 -0.462 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.466 10.347 -1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.872 11.213 -3.656 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.930 7.952 -1.845 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.386 10.305 -5.878 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.450 7.043 -4.066 1.00 0.00 H new ATOM 0 HH TYR A 45 6.255 7.285 -6.254 1.00 0.00 H new ATOM 687 N HIS A 46 5.527 12.743 1.161 1.00 0.00 N ATOM 688 CA HIS A 46 5.098 13.379 2.402 1.00 0.00 C ATOM 689 C HIS A 46 4.051 14.454 2.129 1.00 0.00 C ATOM 690 O HIS A 46 4.133 15.201 1.153 1.00 0.00 O ATOM 691 CB HIS A 46 6.297 13.991 3.128 1.00 0.00 C ATOM 692 CG HIS A 46 6.149 14.010 4.618 1.00 0.00 C ATOM 693 ND1 HIS A 46 5.583 15.063 5.304 1.00 0.00 N ATOM 694 CD2 HIS A 46 6.496 13.096 5.554 1.00 0.00 C ATOM 695 CE1 HIS A 46 5.590 14.797 6.598 1.00 0.00 C ATOM 696 NE2 HIS A 46 6.138 13.609 6.776 1.00 0.00 N ATOM 0 H HIS A 46 6.531 12.788 0.989 1.00 0.00 H new ATOM 0 HA HIS A 46 4.650 12.614 3.036 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.194 13.430 2.867 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.445 15.011 2.773 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.967 12.141 5.373 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.212 15.442 7.378 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.273 13.147 7.675 1.00 0.00 H new ATOM 704 N PRO A 47 3.041 14.535 3.008 1.00 0.00 N ATOM 705 CA PRO A 47 1.959 15.516 2.882 1.00 0.00 C ATOM 706 C PRO A 47 2.433 16.941 3.146 1.00 0.00 C ATOM 707 O PRO A 47 1.838 17.903 2.660 1.00 0.00 O ATOM 708 CB PRO A 47 0.957 15.078 3.954 1.00 0.00 C ATOM 709 CG PRO A 47 1.777 14.351 4.963 1.00 0.00 C ATOM 710 CD PRO A 47 2.879 13.677 4.194 1.00 0.00 C ATOM 0 HA PRO A 47 1.544 15.538 1.874 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.452 15.936 4.398 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.184 14.435 3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.183 15.039 5.705 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.174 13.620 5.502 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.798 13.619 4.777 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.611 12.657 3.919 1.00 0.00 H new ATOM 718 N ASP A 48 3.507 17.068 3.917 1.00 0.00 N ATOM 719 CA ASP A 48 4.063 18.376 4.244 1.00 0.00 C ATOM 720 C ASP A 48 4.972 18.875 3.126 1.00 0.00 C ATOM 721 O ASP A 48 5.000 20.067 2.819 1.00 0.00 O ATOM 722 CB ASP A 48 4.841 18.309 5.559 1.00 0.00 C ATOM 723 CG ASP A 48 4.889 19.646 6.272 1.00 0.00 C ATOM 724 OD1 ASP A 48 3.839 20.081 6.791 1.00 0.00 O ATOM 725 OD2 ASP A 48 5.977 20.258 6.312 1.00 0.00 O ATOM 0 H ASP A 48 4.010 16.281 4.327 1.00 0.00 H new ATOM 0 HA ASP A 48 3.236 19.077 4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.381 17.568 6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.858 17.970 5.359 1.00 0.00 H new ATOM 730 N LYS A 49 5.716 17.956 2.520 1.00 0.00 N ATOM 731 CA LYS A 49 6.628 18.301 1.436 1.00 0.00 C ATOM 732 C LYS A 49 5.869 18.909 0.260 1.00 0.00 C ATOM 733 O LYS A 49 6.342 19.851 -0.375 1.00 0.00 O ATOM 734 CB LYS A 49 7.396 17.061 0.973 1.00 0.00 C ATOM 735 CG LYS A 49 8.248 16.432 2.063 1.00 0.00 C ATOM 736 CD LYS A 49 9.598 17.119 2.182 1.00 0.00 C ATOM 737 CE LYS A 49 10.487 16.811 0.987 1.00 0.00 C ATOM 738 NZ LYS A 49 11.872 17.323 1.180 1.00 0.00 N ATOM 0 H LYS A 49 5.705 16.965 2.762 1.00 0.00 H new ATOM 0 HA LYS A 49 7.336 19.040 1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.686 16.320 0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.036 17.333 0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.723 16.492 3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.395 15.374 1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.453 18.196 2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.093 16.796 3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.517 15.734 0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.057 17.256 0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.447 17.093 0.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.846 18.355 1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.292 16.879 2.021 1.00 0.00 H new ATOM 752 N ASN A 50 4.690 18.365 -0.022 1.00 0.00 N ATOM 753 CA ASN A 50 3.865 18.855 -1.121 1.00 0.00 C ATOM 754 C ASN A 50 2.726 19.726 -0.600 1.00 0.00 C ATOM 755 O ASN A 50 1.805 19.253 0.067 1.00 0.00 O ATOM 756 CB ASN A 50 3.300 17.683 -1.924 1.00 0.00 C ATOM 757 CG ASN A 50 4.385 16.753 -2.432 1.00 0.00 C ATOM 758 OD1 ASN A 50 4.804 16.841 -3.586 1.00 0.00 O ATOM 759 ND2 ASN A 50 4.845 15.854 -1.569 1.00 0.00 N ATOM 0 H ASN A 50 4.284 17.585 0.495 1.00 0.00 H new ATOM 0 HA ASN A 50 4.494 19.462 -1.772 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.606 17.120 -1.300 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.729 18.067 -2.770 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.575 15.201 -1.854 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.468 15.817 -0.622 1.00 0.00 H new ATOM 766 N PRO A 51 2.788 21.029 -0.910 1.00 0.00 N ATOM 767 CA PRO A 51 1.769 21.994 -0.484 1.00 0.00 C ATOM 768 C PRO A 51 0.439 21.785 -1.200 1.00 0.00 C ATOM 769 O PRO A 51 0.357 21.897 -2.423 1.00 0.00 O ATOM 770 CB PRO A 51 2.377 23.345 -0.868 1.00 0.00 C ATOM 771 CG PRO A 51 3.313 23.036 -1.985 1.00 0.00 C ATOM 772 CD PRO A 51 3.856 21.662 -1.701 1.00 0.00 C ATOM 0 HA PRO A 51 1.538 21.902 0.577 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.607 24.051 -1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.901 23.797 -0.026 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.797 23.061 -2.945 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.117 23.771 -2.036 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.055 21.111 -2.620 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.793 21.707 -1.147 1.00 0.00 H new ATOM 780 N ASP A 52 -0.601 21.483 -0.430 1.00 0.00 N ATOM 781 CA ASP A 52 -1.929 21.261 -0.991 1.00 0.00 C ATOM 782 C ASP A 52 -1.836 20.586 -2.356 1.00 0.00 C ATOM 783 O ASP A 52 -2.477 21.013 -3.315 1.00 0.00 O ATOM 784 CB ASP A 52 -2.682 22.586 -1.114 1.00 0.00 C ATOM 785 CG ASP A 52 -3.246 23.057 0.212 1.00 0.00 C ATOM 786 OD1 ASP A 52 -4.149 22.379 0.746 1.00 0.00 O ATOM 787 OD2 ASP A 52 -2.785 24.103 0.716 1.00 0.00 O ATOM 0 H ASP A 52 -0.550 21.386 0.584 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.476 20.603 -0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.010 23.347 -1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.495 22.473 -1.832 1.00 0.00 H new ATOM 792 N ASN A 53 -1.033 19.530 -2.435 1.00 0.00 N ATOM 793 CA ASN A 53 -0.855 18.796 -3.683 1.00 0.00 C ATOM 794 C ASN A 53 -1.649 17.494 -3.666 1.00 0.00 C ATOM 795 O ASN A 53 -1.482 16.647 -2.788 1.00 0.00 O ATOM 796 CB ASN A 53 0.628 18.500 -3.917 1.00 0.00 C ATOM 797 CG ASN A 53 0.979 18.439 -5.391 1.00 0.00 C ATOM 798 OD1 ASN A 53 0.293 19.025 -6.229 1.00 0.00 O ATOM 799 ND2 ASN A 53 2.052 17.728 -5.715 1.00 0.00 N ATOM 0 H ASN A 53 -0.495 19.163 -1.650 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.228 19.417 -4.498 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.230 19.270 -3.434 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.885 17.552 -3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.337 17.651 -6.691 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.591 17.259 -4.988 1.00 0.00 H new ATOM 806 N PRO A 54 -2.534 17.328 -4.660 1.00 0.00 N ATOM 807 CA PRO A 54 -3.371 16.130 -4.783 1.00 0.00 C ATOM 808 C PRO A 54 -2.563 14.895 -5.165 1.00 0.00 C ATOM 809 O PRO A 54 -2.693 13.841 -4.544 1.00 0.00 O ATOM 810 CB PRO A 54 -4.351 16.496 -5.901 1.00 0.00 C ATOM 811 CG PRO A 54 -3.636 17.522 -6.710 1.00 0.00 C ATOM 812 CD PRO A 54 -2.786 18.296 -5.741 1.00 0.00 C ATOM 0 HA PRO A 54 -3.855 15.872 -3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.607 15.625 -6.504 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.284 16.890 -5.497 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.022 17.054 -7.480 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.342 18.178 -7.220 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.858 18.634 -6.202 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.302 19.183 -5.374 1.00 0.00 H new ATOM 820 N GLU A 55 -1.729 15.033 -6.191 1.00 0.00 N ATOM 821 CA GLU A 55 -0.900 13.927 -6.655 1.00 0.00 C ATOM 822 C GLU A 55 -0.173 13.265 -5.488 1.00 0.00 C ATOM 823 O GLU A 55 -0.127 12.040 -5.386 1.00 0.00 O ATOM 824 CB GLU A 55 0.115 14.419 -7.689 1.00 0.00 C ATOM 825 CG GLU A 55 1.054 15.489 -7.159 1.00 0.00 C ATOM 826 CD GLU A 55 2.037 15.974 -8.207 1.00 0.00 C ATOM 827 OE1 GLU A 55 2.720 15.126 -8.818 1.00 0.00 O ATOM 828 OE2 GLU A 55 2.121 17.202 -8.416 1.00 0.00 O ATOM 0 H GLU A 55 -1.610 15.899 -6.716 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.553 13.188 -7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.704 13.571 -8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.421 14.813 -8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.468 16.334 -6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.604 15.094 -6.305 1.00 0.00 H new ATOM 835 N ALA A 56 0.395 14.086 -4.610 1.00 0.00 N ATOM 836 CA ALA A 56 1.119 13.582 -3.450 1.00 0.00 C ATOM 837 C ALA A 56 0.211 12.740 -2.560 1.00 0.00 C ATOM 838 O ALA A 56 0.573 11.636 -2.155 1.00 0.00 O ATOM 839 CB ALA A 56 1.716 14.736 -2.658 1.00 0.00 C ATOM 0 H ALA A 56 0.367 15.103 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 56 1.928 12.944 -3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.254 14.345 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.405 15.295 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.918 15.396 -2.320 1.00 0.00 H new ATOM 845 N ALA A 57 -0.970 13.270 -2.258 1.00 0.00 N ATOM 846 CA ALA A 57 -1.930 12.567 -1.416 1.00 0.00 C ATOM 847 C ALA A 57 -2.403 11.279 -2.082 1.00 0.00 C ATOM 848 O ALA A 57 -2.269 10.192 -1.519 1.00 0.00 O ATOM 849 CB ALA A 57 -3.115 13.467 -1.101 1.00 0.00 C ATOM 0 H ALA A 57 -1.285 14.184 -2.584 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.432 12.302 -0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.824 12.929 -0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.767 14.357 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.605 13.761 -2.029 1.00 0.00 H new ATOM 855 N ASP A 58 -2.959 11.408 -3.281 1.00 0.00 N ATOM 856 CA ASP A 58 -3.453 10.255 -4.024 1.00 0.00 C ATOM 857 C ASP A 58 -2.530 9.054 -3.839 1.00 0.00 C ATOM 858 O ASP A 58 -2.985 7.913 -3.760 1.00 0.00 O ATOM 859 CB ASP A 58 -3.578 10.593 -5.510 1.00 0.00 C ATOM 860 CG ASP A 58 -4.369 9.552 -6.277 1.00 0.00 C ATOM 861 OD1 ASP A 58 -3.755 8.579 -6.762 1.00 0.00 O ATOM 862 OD2 ASP A 58 -5.603 9.710 -6.392 1.00 0.00 O ATOM 0 H ASP A 58 -3.079 12.301 -3.760 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.438 9.998 -3.634 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.060 11.564 -5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.582 10.681 -5.944 1.00 0.00 H new ATOM 867 N LYS A 59 -1.229 9.319 -3.773 1.00 0.00 N ATOM 868 CA LYS A 59 -0.241 8.261 -3.598 1.00 0.00 C ATOM 869 C LYS A 59 -0.017 7.966 -2.118 1.00 0.00 C ATOM 870 O LYS A 59 -0.296 6.864 -1.645 1.00 0.00 O ATOM 871 CB LYS A 59 1.083 8.658 -4.256 1.00 0.00 C ATOM 872 CG LYS A 59 1.131 8.369 -5.746 1.00 0.00 C ATOM 873 CD LYS A 59 1.469 6.914 -6.021 1.00 0.00 C ATOM 874 CE LYS A 59 2.033 6.728 -7.422 1.00 0.00 C ATOM 875 NZ LYS A 59 2.226 5.289 -7.755 1.00 0.00 N ATOM 0 H LYS A 59 -0.835 10.257 -3.838 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.622 7.359 -4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.255 9.722 -4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.897 8.126 -3.765 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.168 8.611 -6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.874 9.012 -6.218 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.193 6.562 -5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.574 6.303 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.359 7.182 -8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.986 7.251 -7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.612 5.204 -8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.889 4.862 -7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.312 4.795 -7.703 1.00 0.00 H new ATOM 889 N PHE A 60 0.489 8.958 -1.391 1.00 0.00 N ATOM 890 CA PHE A 60 0.750 8.804 0.035 1.00 0.00 C ATOM 891 C PHE A 60 -0.322 7.941 0.694 1.00 0.00 C ATOM 892 O PHE A 60 -0.025 6.895 1.273 1.00 0.00 O ATOM 893 CB PHE A 60 0.807 10.173 0.715 1.00 0.00 C ATOM 894 CG PHE A 60 1.217 10.109 2.158 1.00 0.00 C ATOM 895 CD1 PHE A 60 2.485 9.678 2.513 1.00 0.00 C ATOM 896 CD2 PHE A 60 0.335 10.481 3.160 1.00 0.00 C ATOM 897 CE1 PHE A 60 2.865 9.617 3.841 1.00 0.00 C ATOM 898 CE2 PHE A 60 0.709 10.423 4.490 1.00 0.00 C ATOM 899 CZ PHE A 60 1.976 9.991 4.830 1.00 0.00 C ATOM 0 H PHE A 60 0.726 9.876 -1.766 1.00 0.00 H new ATOM 0 HA PHE A 60 1.713 8.308 0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.508 10.809 0.174 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.173 10.646 0.645 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.185 9.386 1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.657 10.820 2.899 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.856 9.277 4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.012 10.715 5.261 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.271 9.946 5.868 1.00 0.00 H new ATOM 909 N LYS A 61 -1.571 8.386 0.603 1.00 0.00 N ATOM 910 CA LYS A 61 -2.688 7.656 1.189 1.00 0.00 C ATOM 911 C LYS A 61 -2.514 6.152 1.001 1.00 0.00 C ATOM 912 O LYS A 61 -2.781 5.369 1.912 1.00 0.00 O ATOM 913 CB LYS A 61 -4.007 8.110 0.559 1.00 0.00 C ATOM 914 CG LYS A 61 -4.221 7.584 -0.850 1.00 0.00 C ATOM 915 CD LYS A 61 -5.235 8.422 -1.610 1.00 0.00 C ATOM 916 CE LYS A 61 -6.657 7.951 -1.347 1.00 0.00 C ATOM 917 NZ LYS A 61 -7.640 9.064 -1.459 1.00 0.00 N ATOM 0 H LYS A 61 -1.835 9.250 0.128 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.709 7.871 2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.833 7.782 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.034 9.199 0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.272 7.583 -1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.563 6.550 -0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.137 9.467 -1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.025 8.369 -2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.916 7.165 -2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.716 7.513 -0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.597 8.702 -1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.408 9.803 -0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.602 9.465 -2.418 1.00 0.00 H new ATOM 931 N GLU A 62 -2.064 5.756 -0.185 1.00 0.00 N ATOM 932 CA GLU A 62 -1.854 4.346 -0.490 1.00 0.00 C ATOM 933 C GLU A 62 -0.623 3.810 0.236 1.00 0.00 C ATOM 934 O GLU A 62 -0.641 2.703 0.775 1.00 0.00 O ATOM 935 CB GLU A 62 -1.697 4.146 -1.999 1.00 0.00 C ATOM 936 CG GLU A 62 -3.010 3.881 -2.718 1.00 0.00 C ATOM 937 CD GLU A 62 -4.157 4.700 -2.157 1.00 0.00 C ATOM 938 OE1 GLU A 62 -4.651 4.359 -1.063 1.00 0.00 O ATOM 939 OE2 GLU A 62 -4.559 5.683 -2.814 1.00 0.00 O ATOM 0 H GLU A 62 -1.838 6.391 -0.950 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.727 3.792 -0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.230 5.033 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.020 3.311 -2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.892 4.106 -3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.254 2.821 -2.643 1.00 0.00 H new ATOM 946 N ILE A 63 0.444 4.602 0.243 1.00 0.00 N ATOM 947 CA ILE A 63 1.682 4.207 0.903 1.00 0.00 C ATOM 948 C ILE A 63 1.452 3.929 2.384 1.00 0.00 C ATOM 949 O ILE A 63 1.774 2.850 2.881 1.00 0.00 O ATOM 950 CB ILE A 63 2.767 5.291 0.758 1.00 0.00 C ATOM 951 CG1 ILE A 63 2.867 5.753 -0.697 1.00 0.00 C ATOM 952 CG2 ILE A 63 4.108 4.767 1.247 1.00 0.00 C ATOM 953 CD1 ILE A 63 4.009 6.712 -0.949 1.00 0.00 C ATOM 0 H ILE A 63 0.476 5.520 -0.200 1.00 0.00 H new ATOM 0 HA ILE A 63 2.023 3.294 0.414 1.00 0.00 H new ATOM 0 HB ILE A 63 2.488 6.147 1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.987 4.881 -1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.931 6.232 -0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.864 5.545 1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.027 4.484 2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.395 3.896 0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.019 6.997 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.880 7.602 -0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.953 6.229 -0.695 1.00 0.00 H new ATOM 965 N ASN A 64 0.890 4.908 3.085 1.00 0.00 N ATOM 966 CA ASN A 64 0.614 4.768 4.510 1.00 0.00 C ATOM 967 C ASN A 64 -0.234 3.529 4.781 1.00 0.00 C ATOM 968 O ASN A 64 0.022 2.785 5.727 1.00 0.00 O ATOM 969 CB ASN A 64 -0.100 6.014 5.037 1.00 0.00 C ATOM 970 CG ASN A 64 -1.608 5.910 4.918 1.00 0.00 C ATOM 971 OD1 ASN A 64 -2.222 4.988 5.456 1.00 0.00 O ATOM 972 ND2 ASN A 64 -2.212 6.858 4.211 1.00 0.00 N ATOM 0 H ASN A 64 0.617 5.807 2.689 1.00 0.00 H new ATOM 0 HA ASN A 64 1.566 4.656 5.030 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.169 6.169 6.082 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.246 6.888 4.485 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.225 6.841 4.096 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.663 7.603 3.783 1.00 0.00 H new ATOM 979 N ASN A 65 -1.243 3.315 3.943 1.00 0.00 N ATOM 980 CA ASN A 65 -2.129 2.166 4.092 1.00 0.00 C ATOM 981 C ASN A 65 -1.377 0.863 3.840 1.00 0.00 C ATOM 982 O ASN A 65 -1.198 0.052 4.748 1.00 0.00 O ATOM 983 CB ASN A 65 -3.312 2.280 3.129 1.00 0.00 C ATOM 984 CG ASN A 65 -4.231 1.075 3.196 1.00 0.00 C ATOM 985 OD1 ASN A 65 -4.853 0.812 4.225 1.00 0.00 O ATOM 986 ND2 ASN A 65 -4.319 0.336 2.096 1.00 0.00 N ATOM 0 H ASN A 65 -1.467 3.922 3.154 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.502 2.157 5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.881 3.180 3.361 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.939 2.393 2.111 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.921 -0.487 2.082 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.785 0.592 1.266 1.00 0.00 H new ATOM 993 N ALA A 66 -0.939 0.669 2.600 1.00 0.00 N ATOM 994 CA ALA A 66 -0.204 -0.533 2.228 1.00 0.00 C ATOM 995 C ALA A 66 0.863 -0.868 3.266 1.00 0.00 C ATOM 996 O ALA A 66 0.965 -2.007 3.720 1.00 0.00 O ATOM 997 CB ALA A 66 0.428 -0.362 0.855 1.00 0.00 C ATOM 0 H ALA A 66 -1.081 1.330 1.836 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.910 -1.363 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.974 -1.268 0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.352 -0.179 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.116 0.484 0.874 1.00 0.00 H new ATOM 1003 N HIS A 67 1.655 0.133 3.637 1.00 0.00 N ATOM 1004 CA HIS A 67 2.715 -0.055 4.621 1.00 0.00 C ATOM 1005 C HIS A 67 2.140 -0.525 5.954 1.00 0.00 C ATOM 1006 O HIS A 67 2.741 -1.348 6.644 1.00 0.00 O ATOM 1007 CB HIS A 67 3.494 1.245 4.818 1.00 0.00 C ATOM 1008 CG HIS A 67 4.134 1.362 6.167 1.00 0.00 C ATOM 1009 ND1 HIS A 67 3.461 1.816 7.282 1.00 0.00 N ATOM 1010 CD2 HIS A 67 5.392 1.079 6.579 1.00 0.00 C ATOM 1011 CE1 HIS A 67 4.278 1.809 8.320 1.00 0.00 C ATOM 1012 NE2 HIS A 67 5.456 1.365 7.920 1.00 0.00 N ATOM 0 H HIS A 67 1.583 1.082 3.271 1.00 0.00 H new ATOM 0 HA HIS A 67 3.393 -0.822 4.247 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.266 1.316 4.052 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.820 2.089 4.671 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.196 0.699 5.966 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.026 2.114 9.325 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.279 1.253 8.511 1.00 0.00 H new ATOM 1020 N ALA A 68 0.975 0.005 6.310 1.00 0.00 N ATOM 1021 CA ALA A 68 0.319 -0.361 7.560 1.00 0.00 C ATOM 1022 C ALA A 68 -0.151 -1.811 7.529 1.00 0.00 C ATOM 1023 O ALA A 68 0.324 -2.643 8.303 1.00 0.00 O ATOM 1024 CB ALA A 68 -0.853 0.570 7.833 1.00 0.00 C ATOM 0 H ALA A 68 0.466 0.689 5.751 1.00 0.00 H new ATOM 0 HA ALA A 68 1.045 -0.259 8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.333 0.285 8.769 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.493 1.596 7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.573 0.497 7.018 1.00 0.00 H new ATOM 1030 N ILE A 69 -1.085 -2.107 6.632 1.00 0.00 N ATOM 1031 CA ILE A 69 -1.618 -3.457 6.501 1.00 0.00 C ATOM 1032 C ILE A 69 -0.496 -4.488 6.440 1.00 0.00 C ATOM 1033 O ILE A 69 -0.635 -5.604 6.942 1.00 0.00 O ATOM 1034 CB ILE A 69 -2.496 -3.597 5.244 1.00 0.00 C ATOM 1035 CG1 ILE A 69 -3.771 -2.764 5.391 1.00 0.00 C ATOM 1036 CG2 ILE A 69 -2.837 -5.058 4.995 1.00 0.00 C ATOM 1037 CD1 ILE A 69 -4.533 -2.591 4.095 1.00 0.00 C ATOM 0 H ILE A 69 -1.488 -1.430 5.985 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.230 -3.641 7.384 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.937 -3.224 4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.422 -3.238 6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.510 -1.781 5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.458 -5.140 4.103 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.918 -5.627 4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.379 -5.456 5.852 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.425 -1.990 4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.899 -2.089 3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.825 -3.569 3.711 1.00 0.00 H new ATOM 1049 N LEU A 70 0.618 -4.106 5.824 1.00 0.00 N ATOM 1050 CA LEU A 70 1.767 -4.996 5.700 1.00 0.00 C ATOM 1051 C LEU A 70 2.523 -5.097 7.020 1.00 0.00 C ATOM 1052 O LEU A 70 2.656 -6.180 7.591 1.00 0.00 O ATOM 1053 CB LEU A 70 2.705 -4.499 4.598 1.00 0.00 C ATOM 1054 CG LEU A 70 2.221 -4.703 3.162 1.00 0.00 C ATOM 1055 CD1 LEU A 70 3.266 -4.212 2.172 1.00 0.00 C ATOM 1056 CD2 LEU A 70 1.894 -6.168 2.912 1.00 0.00 C ATOM 0 H LEU A 70 0.750 -3.186 5.403 1.00 0.00 H new ATOM 0 HA LEU A 70 1.400 -5.988 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.883 -3.435 4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.665 -5.002 4.712 1.00 0.00 H new ATOM 0 HG LEU A 70 1.312 -4.119 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.904 -4.365 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.451 -3.150 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.192 -4.768 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.551 -6.294 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.786 -6.773 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.110 -6.488 3.598 1.00 0.00 H new ATOM 1068 N THR A 71 3.017 -3.961 7.502 1.00 0.00 N ATOM 1069 CA THR A 71 3.760 -3.921 8.755 1.00 0.00 C ATOM 1070 C THR A 71 2.949 -4.530 9.894 1.00 0.00 C ATOM 1071 O THR A 71 3.510 -5.037 10.866 1.00 0.00 O ATOM 1072 CB THR A 71 4.149 -2.479 9.132 1.00 0.00 C ATOM 1073 OG1 THR A 71 2.975 -1.666 9.239 1.00 0.00 O ATOM 1074 CG2 THR A 71 5.091 -1.885 8.096 1.00 0.00 C ATOM 0 H THR A 71 2.916 -3.056 7.043 1.00 0.00 H new ATOM 0 HA THR A 71 4.667 -4.506 8.604 1.00 0.00 H new ATOM 0 HB THR A 71 4.661 -2.504 10.094 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.489 -1.679 8.388 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.352 -0.866 8.383 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.996 -2.489 8.039 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.601 -1.873 7.123 1.00 0.00 H new ATOM 1082 N ASP A 72 1.628 -4.478 9.767 1.00 0.00 N ATOM 1083 CA ASP A 72 0.740 -5.027 10.785 1.00 0.00 C ATOM 1084 C ASP A 72 0.580 -6.534 10.612 1.00 0.00 C ATOM 1085 O ASP A 72 0.228 -7.011 9.533 1.00 0.00 O ATOM 1086 CB ASP A 72 -0.628 -4.345 10.720 1.00 0.00 C ATOM 1087 CG ASP A 72 -0.700 -3.108 11.593 1.00 0.00 C ATOM 1088 OD1 ASP A 72 0.237 -2.284 11.532 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -1.692 -2.963 12.337 1.00 0.00 O ATOM 0 H ASP A 72 1.148 -4.061 8.969 1.00 0.00 H new ATOM 0 HA ASP A 72 1.186 -4.838 11.761 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.845 -4.071 9.688 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.398 -5.051 11.031 1.00 0.00 H new ATOM 1094 N ALA A 73 0.842 -7.279 11.681 1.00 0.00 N ATOM 1095 CA ALA A 73 0.726 -8.731 11.647 1.00 0.00 C ATOM 1096 C ALA A 73 -0.701 -9.161 11.324 1.00 0.00 C ATOM 1097 O ALA A 73 -0.958 -9.765 10.282 1.00 0.00 O ATOM 1098 CB ALA A 73 1.171 -9.328 12.974 1.00 0.00 C ATOM 0 H ALA A 73 1.136 -6.900 12.581 1.00 0.00 H new ATOM 0 HA ALA A 73 1.378 -9.104 10.857 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.079 -10.413 12.934 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.210 -9.059 13.164 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.543 -8.940 13.776 1.00 0.00 H new ATOM 1104 N THR A 74 -1.627 -8.846 12.224 1.00 0.00 N ATOM 1105 CA THR A 74 -3.028 -9.201 12.035 1.00 0.00 C ATOM 1106 C THR A 74 -3.526 -8.765 10.662 1.00 0.00 C ATOM 1107 O THR A 74 -4.080 -9.565 9.908 1.00 0.00 O ATOM 1108 CB THR A 74 -3.920 -8.563 13.118 1.00 0.00 C ATOM 1109 OG1 THR A 74 -3.445 -8.926 14.419 1.00 0.00 O ATOM 1110 CG2 THR A 74 -5.366 -9.007 12.958 1.00 0.00 C ATOM 0 H THR A 74 -1.432 -8.346 13.091 1.00 0.00 H new ATOM 0 HA THR A 74 -3.092 -10.286 12.114 1.00 0.00 H new ATOM 0 HB THR A 74 -3.875 -7.480 13.004 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.016 -8.516 15.102 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.977 -8.544 13.733 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.733 -8.704 11.978 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.426 -10.092 13.048 1.00 0.00 H new ATOM 1118 N LYS A 75 -3.325 -7.491 10.342 1.00 0.00 N ATOM 1119 CA LYS A 75 -3.751 -6.948 9.057 1.00 0.00 C ATOM 1120 C LYS A 75 -3.155 -7.748 7.903 1.00 0.00 C ATOM 1121 O LYS A 75 -3.861 -8.130 6.971 1.00 0.00 O ATOM 1122 CB LYS A 75 -3.339 -5.479 8.940 1.00 0.00 C ATOM 1123 CG LYS A 75 -4.124 -4.552 9.853 1.00 0.00 C ATOM 1124 CD LYS A 75 -5.377 -4.028 9.171 1.00 0.00 C ATOM 1125 CE LYS A 75 -6.422 -5.121 9.008 1.00 0.00 C ATOM 1126 NZ LYS A 75 -7.776 -4.559 8.746 1.00 0.00 N ATOM 0 H LYS A 75 -2.870 -6.815 10.955 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.837 -7.020 9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.277 -5.389 9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.470 -5.155 7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.400 -5.084 10.764 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.494 -3.714 10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.795 -3.208 9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.118 -3.623 8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.136 -5.777 8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.451 -5.733 9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.267 -5.149 8.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.323 -4.545 9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.685 -3.590 8.380 1.00 0.00 H new ATOM 1140 N ARG A 76 -1.851 -7.998 7.974 1.00 0.00 N ATOM 1141 CA ARG A 76 -1.161 -8.753 6.935 1.00 0.00 C ATOM 1142 C ARG A 76 -1.750 -10.154 6.798 1.00 0.00 C ATOM 1143 O ARG A 76 -1.785 -10.719 5.706 1.00 0.00 O ATOM 1144 CB ARG A 76 0.333 -8.846 7.250 1.00 0.00 C ATOM 1145 CG ARG A 76 1.112 -9.699 6.263 1.00 0.00 C ATOM 1146 CD ARG A 76 1.626 -8.872 5.095 1.00 0.00 C ATOM 1147 NE ARG A 76 2.932 -8.282 5.376 1.00 0.00 N ATOM 1148 CZ ARG A 76 4.076 -8.951 5.285 1.00 0.00 C ATOM 1149 NH1 ARG A 76 4.074 -10.226 4.922 1.00 0.00 N ATOM 1150 NH2 ARG A 76 5.225 -8.345 5.557 1.00 0.00 N ATOM 0 H ARG A 76 -1.252 -7.689 8.740 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.295 -8.227 5.990 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.756 -7.842 7.262 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.460 -9.257 8.251 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.952 -10.172 6.773 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.474 -10.500 5.890 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.696 -9.501 4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.912 -8.080 4.869 1.00 0.00 H new ATOM 0 HE ARG A 76 2.968 -7.302 5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.193 -10.695 4.712 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.954 -10.738 4.853 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.231 -7.364 5.836 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.102 -8.860 5.487 1.00 0.00 H new ATOM 1164 N ASN A 77 -2.213 -10.707 7.914 1.00 0.00 N ATOM 1165 CA ASN A 77 -2.800 -12.042 7.919 1.00 0.00 C ATOM 1166 C ASN A 77 -4.129 -12.055 7.169 1.00 0.00 C ATOM 1167 O ASN A 77 -4.406 -12.970 6.393 1.00 0.00 O ATOM 1168 CB ASN A 77 -3.008 -12.526 9.355 1.00 0.00 C ATOM 1169 CG ASN A 77 -3.210 -14.027 9.436 1.00 0.00 C ATOM 1170 OD1 ASN A 77 -4.312 -14.502 9.712 1.00 0.00 O ATOM 1171 ND2 ASN A 77 -2.144 -14.781 9.196 1.00 0.00 N ATOM 0 H ASN A 77 -2.193 -10.252 8.826 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.110 -12.716 7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.145 -12.245 9.959 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.874 -12.022 9.783 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.219 -15.797 9.237 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.250 -14.344 8.971 1.00 0.00 H new ATOM 1178 N ILE A 78 -4.945 -11.033 7.405 1.00 0.00 N ATOM 1179 CA ILE A 78 -6.243 -10.926 6.751 1.00 0.00 C ATOM 1180 C ILE A 78 -6.095 -10.921 5.234 1.00 0.00 C ATOM 1181 O ILE A 78 -6.845 -11.592 4.524 1.00 0.00 O ATOM 1182 CB ILE A 78 -6.989 -9.651 7.187 1.00 0.00 C ATOM 1183 CG1 ILE A 78 -7.176 -9.637 8.706 1.00 0.00 C ATOM 1184 CG2 ILE A 78 -8.334 -9.558 6.482 1.00 0.00 C ATOM 1185 CD1 ILE A 78 -7.552 -8.279 9.256 1.00 0.00 C ATOM 0 H ILE A 78 -4.730 -10.268 8.044 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.822 -11.798 7.054 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.392 -8.784 6.905 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.950 -10.356 8.975 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.253 -9.969 9.181 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.850 -8.652 6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.178 -9.527 5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.939 -10.428 6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.668 -8.344 10.338 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.768 -7.560 9.018 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.491 -7.953 8.809 1.00 0.00 H new ATOM 1197 N TYR A 79 -5.123 -10.161 4.742 1.00 0.00 N ATOM 1198 CA TYR A 79 -4.876 -10.068 3.308 1.00 0.00 C ATOM 1199 C TYR A 79 -4.244 -11.352 2.780 1.00 0.00 C ATOM 1200 O TYR A 79 -4.736 -11.952 1.824 1.00 0.00 O ATOM 1201 CB TYR A 79 -3.968 -8.876 3.002 1.00 0.00 C ATOM 1202 CG TYR A 79 -3.902 -8.527 1.532 1.00 0.00 C ATOM 1203 CD1 TYR A 79 -4.983 -7.939 0.888 1.00 0.00 C ATOM 1204 CD2 TYR A 79 -2.758 -8.787 0.787 1.00 0.00 C ATOM 1205 CE1 TYR A 79 -4.927 -7.620 -0.455 1.00 0.00 C ATOM 1206 CE2 TYR A 79 -2.692 -8.469 -0.555 1.00 0.00 C ATOM 1207 CZ TYR A 79 -3.780 -7.886 -1.172 1.00 0.00 C ATOM 1208 OH TYR A 79 -3.719 -7.570 -2.510 1.00 0.00 O ATOM 0 H TYR A 79 -4.493 -9.600 5.315 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.834 -9.924 2.808 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.323 -8.008 3.557 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.962 -9.095 3.361 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.883 -7.728 1.447 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.906 -9.246 1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.777 -7.165 -0.941 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.794 -8.675 -1.119 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.289 -6.793 -2.689 1.00 0.00 H new ATOM 1218 N ASP A 80 -3.150 -11.768 3.409 1.00 0.00 N ATOM 1219 CA ASP A 80 -2.450 -12.981 3.005 1.00 0.00 C ATOM 1220 C ASP A 80 -3.413 -14.160 2.915 1.00 0.00 C ATOM 1221 O ASP A 80 -3.467 -14.857 1.902 1.00 0.00 O ATOM 1222 CB ASP A 80 -1.325 -13.299 3.992 1.00 0.00 C ATOM 1223 CG ASP A 80 -0.180 -14.050 3.342 1.00 0.00 C ATOM 1224 OD1 ASP A 80 0.193 -13.694 2.204 1.00 0.00 O ATOM 1225 OD2 ASP A 80 0.344 -14.994 3.970 1.00 0.00 O ATOM 0 H ASP A 80 -2.729 -11.282 4.201 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.020 -12.811 2.018 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.949 -12.370 4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.724 -13.892 4.815 1.00 0.00 H new ATOM 1230 N LYS A 81 -4.173 -14.379 3.983 1.00 0.00 N ATOM 1231 CA LYS A 81 -5.135 -15.474 4.027 1.00 0.00 C ATOM 1232 C LYS A 81 -6.312 -15.201 3.095 1.00 0.00 C ATOM 1233 O LYS A 81 -6.681 -16.048 2.281 1.00 0.00 O ATOM 1234 CB LYS A 81 -5.641 -15.680 5.456 1.00 0.00 C ATOM 1235 CG LYS A 81 -6.030 -17.116 5.763 1.00 0.00 C ATOM 1236 CD LYS A 81 -7.039 -17.190 6.897 1.00 0.00 C ATOM 1237 CE LYS A 81 -7.659 -18.575 7.002 1.00 0.00 C ATOM 1238 NZ LYS A 81 -8.814 -18.736 6.077 1.00 0.00 N ATOM 0 H LYS A 81 -4.141 -13.812 4.830 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.631 -16.381 3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.867 -15.365 6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.504 -15.035 5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.450 -17.579 4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.140 -17.686 6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.550 -16.937 7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.823 -16.450 6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.905 -19.329 6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.987 -18.749 8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.735 -19.645 5.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.700 -18.715 6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.815 -17.960 5.384 1.00 0.00 H new ATOM 1252 N TYR A 82 -6.895 -14.014 3.218 1.00 0.00 N ATOM 1253 CA TYR A 82 -8.031 -13.631 2.388 1.00 0.00 C ATOM 1254 C TYR A 82 -7.587 -12.728 1.241 1.00 0.00 C ATOM 1255 O TYR A 82 -7.626 -13.120 0.076 1.00 0.00 O ATOM 1256 CB TYR A 82 -9.089 -12.918 3.232 1.00 0.00 C ATOM 1257 CG TYR A 82 -9.333 -13.571 4.574 1.00 0.00 C ATOM 1258 CD1 TYR A 82 -9.617 -14.928 4.667 1.00 0.00 C ATOM 1259 CD2 TYR A 82 -9.281 -12.830 5.748 1.00 0.00 C ATOM 1260 CE1 TYR A 82 -9.841 -15.528 5.891 1.00 0.00 C ATOM 1261 CE2 TYR A 82 -9.502 -13.422 6.977 1.00 0.00 C ATOM 1262 CZ TYR A 82 -9.782 -14.771 7.043 1.00 0.00 C ATOM 1263 OH TYR A 82 -10.005 -15.364 8.265 1.00 0.00 O ATOM 0 H TYR A 82 -6.600 -13.300 3.884 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.463 -14.539 1.967 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.780 -11.885 3.391 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.026 -12.888 2.676 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.663 -15.524 3.767 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.064 -11.773 5.699 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.061 -16.584 5.946 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.456 -12.832 7.880 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.925 -14.692 8.974 1.00 0.00 H new ATOM 1273 N GLY A 83 -7.162 -11.515 1.582 1.00 0.00 N ATOM 1274 CA GLY A 83 -6.716 -10.574 0.571 1.00 0.00 C ATOM 1275 C GLY A 83 -7.633 -9.373 0.451 1.00 0.00 C ATOM 1276 O GLY A 83 -8.058 -8.805 1.457 1.00 0.00 O ATOM 0 H GLY A 83 -7.119 -11.167 2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.709 -10.235 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.658 -11.081 -0.392 1.00 0.00 H new ATOM 1280 N SER A 84 -7.937 -8.983 -0.783 1.00 0.00 N ATOM 1281 CA SER A 84 -8.805 -7.838 -1.031 1.00 0.00 C ATOM 1282 C SER A 84 -10.152 -8.018 -0.338 1.00 0.00 C ATOM 1283 O SER A 84 -10.675 -7.089 0.280 1.00 0.00 O ATOM 1284 CB SER A 84 -9.013 -7.646 -2.534 1.00 0.00 C ATOM 1285 OG SER A 84 -9.603 -8.794 -3.119 1.00 0.00 O ATOM 0 H SER A 84 -7.595 -9.443 -1.627 1.00 0.00 H new ATOM 0 HA SER A 84 -8.322 -6.951 -0.622 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.649 -6.778 -2.708 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.056 -7.441 -3.013 1.00 0.00 H new ATOM 0 HG SER A 84 -9.727 -8.645 -4.080 1.00 0.00 H new ATOM 1291 N LEU A 85 -10.710 -9.219 -0.445 1.00 0.00 N ATOM 1292 CA LEU A 85 -11.997 -9.523 0.171 1.00 0.00 C ATOM 1293 C LEU A 85 -11.941 -9.315 1.681 1.00 0.00 C ATOM 1294 O LEU A 85 -12.743 -8.572 2.245 1.00 0.00 O ATOM 1295 CB LEU A 85 -12.407 -10.963 -0.142 1.00 0.00 C ATOM 1296 CG LEU A 85 -13.700 -11.450 0.513 1.00 0.00 C ATOM 1297 CD1 LEU A 85 -14.892 -10.665 -0.011 1.00 0.00 C ATOM 1298 CD2 LEU A 85 -13.892 -12.940 0.270 1.00 0.00 C ATOM 0 H LEU A 85 -10.291 -9.998 -0.953 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.740 -8.842 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.510 -11.063 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.597 -11.625 0.164 1.00 0.00 H new ATOM 0 HG LEU A 85 -13.626 -11.284 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.803 -11.025 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -14.758 -9.607 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -14.970 -10.799 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -14.817 -13.270 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -13.945 -13.130 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.052 -13.489 0.695 1.00 0.00 H new ATOM 1310 N GLY A 86 -10.986 -9.975 2.329 1.00 0.00 N ATOM 1311 CA GLY A 86 -10.841 -9.847 3.767 1.00 0.00 C ATOM 1312 C GLY A 86 -10.912 -8.406 4.231 1.00 0.00 C ATOM 1313 O GLY A 86 -11.716 -8.064 5.100 1.00 0.00 O ATOM 0 H GLY A 86 -10.310 -10.596 1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.623 -10.423 4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.887 -10.277 4.073 1.00 0.00 H new ATOM 1317 N LEU A 87 -10.069 -7.557 3.654 1.00 0.00 N ATOM 1318 CA LEU A 87 -10.038 -6.144 4.014 1.00 0.00 C ATOM 1319 C LEU A 87 -11.369 -5.471 3.695 1.00 0.00 C ATOM 1320 O LEU A 87 -11.929 -4.755 4.525 1.00 0.00 O ATOM 1321 CB LEU A 87 -8.903 -5.434 3.274 1.00 0.00 C ATOM 1322 CG LEU A 87 -7.498 -5.990 3.506 1.00 0.00 C ATOM 1323 CD1 LEU A 87 -6.508 -5.360 2.539 1.00 0.00 C ATOM 1324 CD2 LEU A 87 -7.063 -5.757 4.946 1.00 0.00 C ATOM 0 H LEU A 87 -9.397 -7.823 2.934 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.864 -6.072 5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.114 -5.471 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.909 -4.383 3.564 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.519 -7.064 3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.513 -5.768 2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.810 -5.579 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.490 -4.280 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.061 -6.159 5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.059 -4.688 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.757 -6.257 5.621 1.00 0.00 H new ATOM 1336 N TYR A 88 -11.871 -5.708 2.488 1.00 0.00 N ATOM 1337 CA TYR A 88 -13.136 -5.125 2.058 1.00 0.00 C ATOM 1338 C TYR A 88 -14.233 -5.388 3.085 1.00 0.00 C ATOM 1339 O TYR A 88 -15.015 -4.496 3.418 1.00 0.00 O ATOM 1340 CB TYR A 88 -13.548 -5.692 0.699 1.00 0.00 C ATOM 1341 CG TYR A 88 -15.043 -5.707 0.476 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -15.760 -4.522 0.359 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -15.739 -6.906 0.382 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -17.126 -4.531 0.157 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -17.106 -6.924 0.178 1.00 0.00 C ATOM 1346 CZ TYR A 88 -17.795 -5.735 0.067 1.00 0.00 C ATOM 1347 OH TYR A 88 -19.156 -5.748 -0.136 1.00 0.00 O ATOM 0 H TYR A 88 -11.421 -6.300 1.790 1.00 0.00 H new ATOM 0 HA TYR A 88 -12.998 -4.048 1.967 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -13.078 -5.103 -0.088 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -13.166 -6.709 0.608 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -15.240 -3.578 0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -15.203 -7.839 0.470 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.668 -3.601 0.070 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -17.632 -7.865 0.106 1.00 0.00 H new ATOM 0 HH TYR A 88 -19.472 -6.675 -0.177 1.00 0.00 H new ATOM 1357 N VAL A 89 -14.285 -6.619 3.584 1.00 0.00 N ATOM 1358 CA VAL A 89 -15.285 -7.001 4.574 1.00 0.00 C ATOM 1359 C VAL A 89 -14.961 -6.405 5.939 1.00 0.00 C ATOM 1360 O VAL A 89 -15.824 -5.819 6.593 1.00 0.00 O ATOM 1361 CB VAL A 89 -15.388 -8.532 4.706 1.00 0.00 C ATOM 1362 CG1 VAL A 89 -16.425 -8.909 5.753 1.00 0.00 C ATOM 1363 CG2 VAL A 89 -15.724 -9.160 3.362 1.00 0.00 C ATOM 0 H VAL A 89 -13.646 -7.369 3.319 1.00 0.00 H new ATOM 0 HA VAL A 89 -16.241 -6.609 4.227 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.422 -8.917 5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -16.484 -9.995 5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -16.138 -8.490 6.717 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.398 -8.513 5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -15.793 -10.242 3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -16.678 -8.770 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.942 -8.918 2.642 1.00 0.00 H new ATOM 1373 N ALA A 90 -13.712 -6.557 6.364 1.00 0.00 N ATOM 1374 CA ALA A 90 -13.273 -6.032 7.651 1.00 0.00 C ATOM 1375 C ALA A 90 -13.513 -4.529 7.741 1.00 0.00 C ATOM 1376 O ALA A 90 -13.744 -3.993 8.824 1.00 0.00 O ATOM 1377 CB ALA A 90 -11.801 -6.348 7.876 1.00 0.00 C ATOM 0 H ALA A 90 -12.985 -7.040 5.836 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.860 -6.515 8.432 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.487 -5.950 8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.655 -7.428 7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.206 -5.892 7.084 1.00 0.00 H new ATOM 1383 N GLU A 91 -13.455 -3.856 6.597 1.00 0.00 N ATOM 1384 CA GLU A 91 -13.665 -2.413 6.548 1.00 0.00 C ATOM 1385 C GLU A 91 -15.142 -2.072 6.722 1.00 0.00 C ATOM 1386 O GLU A 91 -15.487 -1.038 7.293 1.00 0.00 O ATOM 1387 CB GLU A 91 -13.151 -1.845 5.224 1.00 0.00 C ATOM 1388 CG GLU A 91 -12.822 -0.363 5.284 1.00 0.00 C ATOM 1389 CD GLU A 91 -12.235 0.158 3.987 1.00 0.00 C ATOM 1390 OE1 GLU A 91 -11.185 -0.364 3.559 1.00 0.00 O ATOM 1391 OE2 GLU A 91 -12.827 1.088 3.399 1.00 0.00 O ATOM 0 H GLU A 91 -13.265 -4.286 5.692 1.00 0.00 H new ATOM 0 HA GLU A 91 -13.107 -1.962 7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -12.259 -2.395 4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.902 -2.011 4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.727 0.197 5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.116 -0.184 6.095 1.00 0.00 H new ATOM 1398 N GLN A 92 -16.008 -2.949 6.225 1.00 0.00 N ATOM 1399 CA GLN A 92 -17.448 -2.741 6.324 1.00 0.00 C ATOM 1400 C GLN A 92 -17.944 -3.026 7.738 1.00 0.00 C ATOM 1401 O GLN A 92 -18.589 -2.184 8.362 1.00 0.00 O ATOM 1402 CB GLN A 92 -18.184 -3.633 5.323 1.00 0.00 C ATOM 1403 CG GLN A 92 -17.959 -3.235 3.873 1.00 0.00 C ATOM 1404 CD GLN A 92 -18.384 -1.809 3.586 1.00 0.00 C ATOM 1405 OE1 GLN A 92 -17.559 -0.895 3.564 1.00 0.00 O ATOM 1406 NE2 GLN A 92 -19.678 -1.610 3.364 1.00 0.00 N ATOM 0 H GLN A 92 -15.738 -3.810 5.750 1.00 0.00 H new ATOM 0 HA GLN A 92 -17.655 -1.697 6.090 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -17.861 -4.665 5.462 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -19.252 -3.602 5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -16.903 -3.352 3.628 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -18.514 -3.913 3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -20.327 -2.396 3.392 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -20.023 -0.671 3.166 1.00 0.00 H new ATOM 1415 N PHE A 93 -17.638 -4.219 8.237 1.00 0.00 N ATOM 1416 CA PHE A 93 -18.053 -4.616 9.577 1.00 0.00 C ATOM 1417 C PHE A 93 -16.871 -4.598 10.541 1.00 0.00 C ATOM 1418 O PHE A 93 -16.837 -3.810 11.485 1.00 0.00 O ATOM 1419 CB PHE A 93 -18.680 -6.012 9.547 1.00 0.00 C ATOM 1420 CG PHE A 93 -19.529 -6.262 8.333 1.00 0.00 C ATOM 1421 CD1 PHE A 93 -18.945 -6.577 7.117 1.00 0.00 C ATOM 1422 CD2 PHE A 93 -20.910 -6.181 8.408 1.00 0.00 C ATOM 1423 CE1 PHE A 93 -19.723 -6.808 5.998 1.00 0.00 C ATOM 1424 CE2 PHE A 93 -21.692 -6.411 7.293 1.00 0.00 C ATOM 1425 CZ PHE A 93 -21.098 -6.724 6.086 1.00 0.00 C ATOM 0 H PHE A 93 -17.104 -4.927 7.734 1.00 0.00 H new ATOM 0 HA PHE A 93 -18.795 -3.899 9.927 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -17.887 -6.759 9.586 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -19.289 -6.147 10.441 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -17.870 -6.643 7.042 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -21.380 -5.935 9.349 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -19.256 -7.054 5.056 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -22.768 -6.346 7.365 1.00 0.00 H new ATOM 0 HZ PHE A 93 -21.708 -6.903 5.213 1.00 0.00 H new ATOM 1435 N GLY A 94 -15.901 -5.474 10.295 1.00 0.00 N ATOM 1436 CA GLY A 94 -14.730 -5.544 11.149 1.00 0.00 C ATOM 1437 C GLY A 94 -13.918 -6.803 10.919 1.00 0.00 C ATOM 1438 O GLY A 94 -14.458 -7.830 10.508 1.00 0.00 O ATOM 0 H GLY A 94 -15.906 -6.136 9.519 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.101 -4.672 10.970 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.042 -5.503 12.192 1.00 0.00 H new ATOM 1442 N GLU A 95 -12.618 -6.724 11.183 1.00 0.00 N ATOM 1443 CA GLU A 95 -11.730 -7.866 10.999 1.00 0.00 C ATOM 1444 C GLU A 95 -12.014 -8.948 12.037 1.00 0.00 C ATOM 1445 O GLU A 95 -11.625 -10.103 11.867 1.00 0.00 O ATOM 1446 CB GLU A 95 -10.268 -7.425 11.093 1.00 0.00 C ATOM 1447 CG GLU A 95 -9.998 -6.450 12.227 1.00 0.00 C ATOM 1448 CD GLU A 95 -10.187 -5.004 11.810 1.00 0.00 C ATOM 1449 OE1 GLU A 95 -9.351 -4.498 11.031 1.00 0.00 O ATOM 1450 OE2 GLU A 95 -11.168 -4.379 12.262 1.00 0.00 O ATOM 0 H GLU A 95 -12.156 -5.881 11.525 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.913 -8.280 10.008 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.639 -8.306 11.225 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.975 -6.963 10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.664 -6.674 13.060 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.979 -6.590 12.587 1.00 0.00 H new ATOM 1457 N GLU A 96 -12.695 -8.564 13.113 1.00 0.00 N ATOM 1458 CA GLU A 96 -13.029 -9.501 14.179 1.00 0.00 C ATOM 1459 C GLU A 96 -14.248 -10.339 13.804 1.00 0.00 C ATOM 1460 O GLU A 96 -14.506 -11.382 14.403 1.00 0.00 O ATOM 1461 CB GLU A 96 -13.295 -8.749 15.484 1.00 0.00 C ATOM 1462 CG GLU A 96 -14.356 -7.668 15.359 1.00 0.00 C ATOM 1463 CD GLU A 96 -14.990 -7.315 16.690 1.00 0.00 C ATOM 1464 OE1 GLU A 96 -15.028 -8.192 17.579 1.00 0.00 O ATOM 1465 OE2 GLU A 96 -15.449 -6.164 16.843 1.00 0.00 O ATOM 0 H GLU A 96 -13.026 -7.612 13.269 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.180 -10.169 14.320 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -13.604 -9.462 16.248 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.365 -8.296 15.828 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -13.908 -6.774 14.926 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.131 -8.003 14.669 1.00 0.00 H new ATOM 1472 N ASN A 97 -14.996 -9.873 12.809 1.00 0.00 N ATOM 1473 CA ASN A 97 -16.188 -10.578 12.354 1.00 0.00 C ATOM 1474 C ASN A 97 -15.871 -11.467 11.155 1.00 0.00 C ATOM 1475 O ASN A 97 -16.648 -12.355 10.805 1.00 0.00 O ATOM 1476 CB ASN A 97 -17.287 -9.579 11.986 1.00 0.00 C ATOM 1477 CG ASN A 97 -18.166 -9.224 13.170 1.00 0.00 C ATOM 1478 OD1 ASN A 97 -19.116 -9.938 13.488 1.00 0.00 O ATOM 1479 ND2 ASN A 97 -17.851 -8.114 13.827 1.00 0.00 N ATOM 0 H ASN A 97 -14.797 -9.010 12.303 1.00 0.00 H new ATOM 0 HA ASN A 97 -16.539 -11.211 13.169 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.831 -8.671 11.590 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.904 -9.998 11.192 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.406 -7.823 14.632 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.054 -7.553 13.527 1.00 0.00 H new ATOM 1486 N VAL A 98 -14.724 -11.222 10.531 1.00 0.00 N ATOM 1487 CA VAL A 98 -14.302 -12.001 9.373 1.00 0.00 C ATOM 1488 C VAL A 98 -14.142 -13.474 9.730 1.00 0.00 C ATOM 1489 O VAL A 98 -14.377 -14.354 8.902 1.00 0.00 O ATOM 1490 CB VAL A 98 -12.974 -11.476 8.797 1.00 0.00 C ATOM 1491 CG1 VAL A 98 -12.596 -12.245 7.540 1.00 0.00 C ATOM 1492 CG2 VAL A 98 -13.069 -9.985 8.512 1.00 0.00 C ATOM 0 H VAL A 98 -14.070 -10.490 10.808 1.00 0.00 H new ATOM 0 HA VAL A 98 -15.083 -11.896 8.620 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.190 -11.631 9.538 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.655 -11.860 7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -12.484 -13.302 7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.378 -12.124 6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -12.122 -9.631 8.106 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -13.865 -9.803 7.790 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -13.289 -9.451 9.436 1.00 0.00 H new ATOM 1502 N ASN A 99 -13.740 -13.737 10.970 1.00 0.00 N ATOM 1503 CA ASN A 99 -13.548 -15.105 11.437 1.00 0.00 C ATOM 1504 C ASN A 99 -14.876 -15.854 11.489 1.00 0.00 C ATOM 1505 O ASN A 99 -14.987 -16.979 11.002 1.00 0.00 O ATOM 1506 CB ASN A 99 -12.895 -15.105 12.821 1.00 0.00 C ATOM 1507 CG ASN A 99 -12.122 -16.381 13.095 1.00 0.00 C ATOM 1508 OD1 ASN A 99 -11.826 -17.150 12.180 1.00 0.00 O ATOM 1509 ND2 ASN A 99 -11.791 -16.612 14.360 1.00 0.00 N ATOM 0 H ASN A 99 -13.541 -13.021 11.669 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.892 -15.615 10.732 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.222 -14.251 12.902 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.664 -14.979 13.583 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.271 -17.454 14.605 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.057 -15.947 15.086 1.00 0.00 H new ATOM 1516 N THR A 100 -15.883 -15.221 12.083 1.00 0.00 N ATOM 1517 CA THR A 100 -17.204 -15.826 12.199 1.00 0.00 C ATOM 1518 C THR A 100 -17.976 -15.717 10.890 1.00 0.00 C ATOM 1519 O THR A 100 -18.973 -16.410 10.686 1.00 0.00 O ATOM 1520 CB THR A 100 -18.026 -15.169 13.323 1.00 0.00 C ATOM 1521 OG1 THR A 100 -19.202 -15.942 13.587 1.00 0.00 O ATOM 1522 CG2 THR A 100 -18.422 -13.749 12.945 1.00 0.00 C ATOM 0 H THR A 100 -15.809 -14.289 12.491 1.00 0.00 H new ATOM 0 HA THR A 100 -17.049 -16.878 12.439 1.00 0.00 H new ATOM 0 HB THR A 100 -17.407 -15.131 14.220 1.00 0.00 H new ATOM 0 HG1 THR A 100 -19.531 -16.334 12.751 1.00 0.00 H new ATOM 0 HG21 THR A 100 -19.002 -13.305 13.754 1.00 0.00 H new ATOM 0 HG22 THR A 100 -17.525 -13.155 12.773 1.00 0.00 H new ATOM 0 HG23 THR A 100 -19.024 -13.769 12.036 1.00 0.00 H new ATOM 1530 N TYR A 101 -17.508 -14.845 10.004 1.00 0.00 N ATOM 1531 CA TYR A 101 -18.157 -14.644 8.713 1.00 0.00 C ATOM 1532 C TYR A 101 -17.792 -15.762 7.741 1.00 0.00 C ATOM 1533 O TYR A 101 -18.662 -16.353 7.101 1.00 0.00 O ATOM 1534 CB TYR A 101 -17.759 -13.290 8.124 1.00 0.00 C ATOM 1535 CG TYR A 101 -18.691 -12.805 7.037 1.00 0.00 C ATOM 1536 CD1 TYR A 101 -18.847 -13.521 5.857 1.00 0.00 C ATOM 1537 CD2 TYR A 101 -19.416 -11.630 7.190 1.00 0.00 C ATOM 1538 CE1 TYR A 101 -19.697 -13.081 4.861 1.00 0.00 C ATOM 1539 CE2 TYR A 101 -20.270 -11.183 6.200 1.00 0.00 C ATOM 1540 CZ TYR A 101 -20.407 -11.912 5.038 1.00 0.00 C ATOM 1541 OH TYR A 101 -21.255 -11.470 4.049 1.00 0.00 O ATOM 0 H TYR A 101 -16.682 -14.266 10.156 1.00 0.00 H new ATOM 0 HA TYR A 101 -19.236 -14.661 8.870 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -17.731 -12.550 8.924 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -16.749 -13.362 7.720 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -18.294 -14.438 5.716 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -19.310 -11.056 8.099 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -19.805 -13.649 3.949 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -20.827 -10.268 6.336 1.00 0.00 H new ATOM 0 HH TYR A 101 -21.679 -10.633 4.332 1.00 0.00 H new ATOM 1551 N PHE A 102 -16.498 -16.046 7.635 1.00 0.00 N ATOM 1552 CA PHE A 102 -16.016 -17.092 6.741 1.00 0.00 C ATOM 1553 C PHE A 102 -16.604 -18.447 7.122 1.00 0.00 C ATOM 1554 O PHE A 102 -17.163 -19.152 6.282 1.00 0.00 O ATOM 1555 CB PHE A 102 -14.487 -17.159 6.777 1.00 0.00 C ATOM 1556 CG PHE A 102 -13.824 -16.231 5.799 1.00 0.00 C ATOM 1557 CD1 PHE A 102 -14.151 -14.885 5.769 1.00 0.00 C ATOM 1558 CD2 PHE A 102 -12.873 -16.706 4.909 1.00 0.00 C ATOM 1559 CE1 PHE A 102 -13.542 -14.029 4.870 1.00 0.00 C ATOM 1560 CE2 PHE A 102 -12.261 -15.855 4.009 1.00 0.00 C ATOM 1561 CZ PHE A 102 -12.596 -14.515 3.989 1.00 0.00 C ATOM 0 H PHE A 102 -15.765 -15.566 8.157 1.00 0.00 H new ATOM 0 HA PHE A 102 -16.339 -16.847 5.729 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -14.144 -16.919 7.783 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.171 -18.181 6.568 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -14.890 -14.500 6.456 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.608 -17.753 4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -13.806 -12.982 4.857 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -11.521 -16.237 3.321 1.00 0.00 H new ATOM 0 HZ PHE A 102 -12.119 -13.849 3.286 1.00 0.00 H new