USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 991 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 16 MET CE :methyl -159:sc= -1.77 (180deg=-2.42) USER MOD Set 1.2: A 63 MET CE :methyl -157:sc= -1.3 (180deg=-3.17!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0318) USER MOD Single : A 21 SER OG : rot 180:sc=-0.00901 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0152 K(o=-0.015,f=-2) USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= -0.105 (180deg=-0.535) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.16) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.182 USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0549 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -80:sc= 1.16 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.817 F(o=-1.4,f=-0.82) USER MOD Single : A 58 ASN : amide:sc= 1.13 K(o=1.1,f=-0.019) USER MOD Single : A 62 SER OG : rot -161:sc= 1.25 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= 1.27 (180deg=1.12) USER MOD Single : A 73 SER OG : rot -96:sc= 1.29 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= -0.0496 (180deg=-0.402) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 86 ASN : amide:sc= -0.116 K(o=-0.12,f=-3!) USER MOD Single : A 87 SER OG : rot -46:sc= 0.352 USER MOD Single : A 96 HIS : no HD1:sc= -0.652 K(o=-0.65,f=-5.7!) USER MOD Single : A 103 SER OG : rot 180:sc= 0.033 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.0052) USER MOD Single : A 110 LYS NZ :NH3+ 154:sc= 0.907 (180deg=-0.418!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 83:sc= 1.29 USER MOD Single : A 117 SER OG : rot -76:sc= 1.02 USER MOD Single : A 130 SER OG : rot 18:sc= 0.79 USER MOD Single : A 131 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.13) USER MOD Single : A 133 TYR OH : rot 25:sc= 0.93 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 128:sc= 0.411 USER MOD ----------------------------------------------------------------- ATOM 215 N TYR A 14 -5.691 -11.451 -7.873 1.00 0.00 N ATOM 216 CA TYR A 14 -6.778 -10.491 -7.760 1.00 0.00 C ATOM 217 C TYR A 14 -6.369 -9.130 -8.305 1.00 0.00 C ATOM 218 O TYR A 14 -5.450 -8.491 -7.792 1.00 0.00 O ATOM 219 CB TYR A 14 -7.230 -10.357 -6.305 1.00 0.00 C ATOM 220 CG TYR A 14 -7.925 -11.588 -5.768 1.00 0.00 C ATOM 221 CD1 TYR A 14 -9.298 -11.747 -5.910 1.00 0.00 C ATOM 222 CD2 TYR A 14 -7.212 -12.588 -5.121 1.00 0.00 C ATOM 223 CE1 TYR A 14 -9.940 -12.871 -5.423 1.00 0.00 C ATOM 224 CE2 TYR A 14 -7.847 -13.715 -4.633 1.00 0.00 C ATOM 225 CZ TYR A 14 -9.211 -13.850 -4.786 1.00 0.00 C ATOM 226 OH TYR A 14 -9.846 -14.970 -4.300 1.00 0.00 O ATOM 0 HA TYR A 14 -7.611 -10.863 -8.356 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.362 -10.140 -5.683 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.904 -9.504 -6.220 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.873 -10.981 -6.409 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.144 -12.484 -4.997 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.008 -12.980 -5.542 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.278 -14.486 -4.135 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.188 -15.563 -3.880 1.00 0.00 H new ATOM 236 N ALA A 15 -7.053 -8.703 -9.355 1.00 0.00 N ATOM 237 CA ALA A 15 -6.827 -7.395 -9.948 1.00 0.00 C ATOM 238 C ALA A 15 -8.159 -6.728 -10.249 1.00 0.00 C ATOM 239 O ALA A 15 -9.058 -7.357 -10.803 1.00 0.00 O ATOM 240 CB ALA A 15 -5.997 -7.525 -11.218 1.00 0.00 C ATOM 0 H ALA A 15 -7.778 -9.251 -9.818 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.275 -6.776 -9.241 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.836 -6.537 -11.650 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.035 -7.977 -10.979 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.525 -8.153 -11.935 1.00 0.00 H new ATOM 246 N MET A 16 -8.294 -5.465 -9.872 1.00 0.00 N ATOM 247 CA MET A 16 -9.528 -4.733 -10.108 1.00 0.00 C ATOM 248 C MET A 16 -9.369 -3.799 -11.295 1.00 0.00 C ATOM 249 O MET A 16 -8.589 -2.847 -11.251 1.00 0.00 O ATOM 250 CB MET A 16 -9.938 -3.935 -8.873 1.00 0.00 C ATOM 251 CG MET A 16 -11.281 -3.237 -9.030 1.00 0.00 C ATOM 252 SD MET A 16 -11.754 -2.302 -7.569 1.00 0.00 S ATOM 253 CE MET A 16 -11.678 -3.579 -6.319 1.00 0.00 C ATOM 0 H MET A 16 -7.565 -4.927 -9.402 1.00 0.00 H new ATOM 0 HA MET A 16 -10.312 -5.459 -10.325 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.982 -4.604 -8.014 1.00 0.00 H new ATOM 0 HB3 MET A 16 -9.171 -3.190 -8.658 1.00 0.00 H new ATOM 0 HG2 MET A 16 -11.238 -2.566 -9.888 1.00 0.00 H new ATOM 0 HG3 MET A 16 -12.049 -3.980 -9.245 1.00 0.00 H new ATOM 0 HE1 MET A 16 -12.281 -3.284 -5.460 1.00 0.00 H new ATOM 0 HE2 MET A 16 -12.063 -4.513 -6.729 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.644 -3.720 -6.005 1.00 0.00 H new ATOM 263 N LYS A 17 -10.117 -4.074 -12.349 1.00 0.00 N ATOM 264 CA LYS A 17 -10.018 -3.312 -13.576 1.00 0.00 C ATOM 265 C LYS A 17 -11.415 -2.959 -14.087 1.00 0.00 C ATOM 266 O LYS A 17 -12.374 -3.703 -13.847 1.00 0.00 O ATOM 267 CB LYS A 17 -9.249 -4.130 -14.619 1.00 0.00 C ATOM 268 CG LYS A 17 -10.025 -5.328 -15.151 1.00 0.00 C ATOM 269 CD LYS A 17 -9.105 -6.458 -15.590 1.00 0.00 C ATOM 270 CE LYS A 17 -8.080 -6.008 -16.618 1.00 0.00 C ATOM 271 NZ LYS A 17 -8.709 -5.438 -17.838 1.00 0.00 N ATOM 0 H LYS A 17 -10.805 -4.827 -12.377 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.480 -2.383 -13.389 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.983 -3.481 -15.453 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.316 -4.480 -14.178 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.703 -5.692 -14.379 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.641 -5.015 -15.994 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.588 -6.861 -14.719 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.703 -7.267 -16.008 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.424 -5.262 -16.169 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.455 -6.856 -16.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.975 -5.241 -18.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.392 -6.119 -18.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.201 -4.555 -17.595 1.00 0.00 H new ATOM 285 N PRO A 18 -11.556 -1.811 -14.765 1.00 0.00 N ATOM 286 CA PRO A 18 -12.831 -1.392 -15.357 1.00 0.00 C ATOM 287 C PRO A 18 -13.361 -2.419 -16.354 1.00 0.00 C ATOM 288 O PRO A 18 -12.722 -2.703 -17.369 1.00 0.00 O ATOM 289 CB PRO A 18 -12.486 -0.079 -16.069 1.00 0.00 C ATOM 290 CG PRO A 18 -11.252 0.408 -15.394 1.00 0.00 C ATOM 291 CD PRO A 18 -10.489 -0.823 -15.003 1.00 0.00 C ATOM 0 HA PRO A 18 -13.615 -1.285 -14.607 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.317 -0.239 -17.134 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.297 0.644 -15.980 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.663 1.038 -16.061 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.496 1.011 -14.520 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.810 -1.145 -15.792 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.885 -0.658 -14.111 1.00 0.00 H new ATOM 299 N GLY A 19 -14.520 -2.983 -16.051 1.00 0.00 N ATOM 300 CA GLY A 19 -15.094 -4.007 -16.898 1.00 0.00 C ATOM 301 C GLY A 19 -15.493 -5.237 -16.111 1.00 0.00 C ATOM 302 O GLY A 19 -16.292 -6.048 -16.576 1.00 0.00 O ATOM 0 H GLY A 19 -15.076 -2.748 -15.229 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -15.968 -3.605 -17.410 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.374 -4.287 -17.667 1.00 0.00 H new ATOM 306 N LEU A 20 -14.934 -5.378 -14.915 1.00 0.00 N ATOM 307 CA LEU A 20 -15.252 -6.510 -14.054 1.00 0.00 C ATOM 308 C LEU A 20 -16.608 -6.320 -13.387 1.00 0.00 C ATOM 309 O LEU A 20 -17.077 -5.195 -13.219 1.00 0.00 O ATOM 310 CB LEU A 20 -14.185 -6.679 -12.971 1.00 0.00 C ATOM 311 CG LEU A 20 -12.770 -6.953 -13.473 1.00 0.00 C ATOM 312 CD1 LEU A 20 -11.820 -7.108 -12.300 1.00 0.00 C ATOM 313 CD2 LEU A 20 -12.740 -8.194 -14.346 1.00 0.00 C ATOM 0 H LEU A 20 -14.259 -4.723 -14.520 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.281 -7.402 -14.680 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.166 -5.776 -12.362 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.484 -7.498 -12.317 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.448 -6.105 -14.077 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.814 -7.303 -12.670 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.818 -6.192 -11.710 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.145 -7.941 -11.676 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.722 -8.370 -14.693 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.081 -9.053 -13.769 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.396 -8.051 -15.205 1.00 0.00 H new ATOM 325 N SER A 21 -17.229 -7.427 -13.005 1.00 0.00 N ATOM 326 CA SER A 21 -18.487 -7.385 -12.279 1.00 0.00 C ATOM 327 C SER A 21 -18.241 -6.943 -10.838 1.00 0.00 C ATOM 328 O SER A 21 -17.121 -7.063 -10.328 1.00 0.00 O ATOM 329 CB SER A 21 -19.157 -8.764 -12.311 1.00 0.00 C ATOM 330 OG SER A 21 -20.349 -8.781 -11.543 1.00 0.00 O ATOM 0 H SER A 21 -16.879 -8.368 -13.187 1.00 0.00 H new ATOM 0 HA SER A 21 -19.152 -6.665 -12.756 1.00 0.00 H new ATOM 0 HB2 SER A 21 -19.383 -9.036 -13.342 1.00 0.00 H new ATOM 0 HB3 SER A 21 -18.466 -9.515 -11.928 1.00 0.00 H new ATOM 0 HG SER A 21 -20.753 -9.673 -11.585 1.00 0.00 H new ATOM 336 N ALA A 22 -19.282 -6.428 -10.192 1.00 0.00 N ATOM 337 CA ALA A 22 -19.197 -6.001 -8.801 1.00 0.00 C ATOM 338 C ALA A 22 -18.727 -7.146 -7.908 1.00 0.00 C ATOM 339 O ALA A 22 -17.976 -6.935 -6.957 1.00 0.00 O ATOM 340 CB ALA A 22 -20.543 -5.474 -8.322 1.00 0.00 C ATOM 0 H ALA A 22 -20.201 -6.296 -10.614 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.465 -5.196 -8.738 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.461 -5.160 -7.282 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -20.840 -4.624 -8.936 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -21.292 -6.261 -8.405 1.00 0.00 H new ATOM 346 N LEU A 23 -19.164 -8.358 -8.234 1.00 0.00 N ATOM 347 CA LEU A 23 -18.767 -9.550 -7.489 1.00 0.00 C ATOM 348 C LEU A 23 -17.259 -9.759 -7.573 1.00 0.00 C ATOM 349 O LEU A 23 -16.607 -10.073 -6.573 1.00 0.00 O ATOM 350 CB LEU A 23 -19.491 -10.784 -8.028 1.00 0.00 C ATOM 351 CG LEU A 23 -21.016 -10.740 -7.934 1.00 0.00 C ATOM 352 CD1 LEU A 23 -21.618 -12.009 -8.516 1.00 0.00 C ATOM 353 CD2 LEU A 23 -21.459 -10.552 -6.490 1.00 0.00 C ATOM 0 H LEU A 23 -19.796 -8.542 -9.013 1.00 0.00 H new ATOM 0 HA LEU A 23 -19.044 -9.404 -6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -19.212 -10.921 -9.073 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -19.135 -11.660 -7.485 1.00 0.00 H new ATOM 0 HG LEU A 23 -21.373 -9.889 -8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -22.705 -11.963 -8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -21.329 -12.102 -9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -21.253 -12.873 -7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -22.548 -10.523 -6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -21.092 -11.382 -5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -21.055 -9.616 -6.104 1.00 0.00 H new ATOM 365 N GLU A 24 -16.714 -9.566 -8.770 1.00 0.00 N ATOM 366 CA GLU A 24 -15.283 -9.713 -9.002 1.00 0.00 C ATOM 367 C GLU A 24 -14.517 -8.662 -8.210 1.00 0.00 C ATOM 368 O GLU A 24 -13.519 -8.962 -7.556 1.00 0.00 O ATOM 369 CB GLU A 24 -14.966 -9.554 -10.491 1.00 0.00 C ATOM 370 CG GLU A 24 -15.776 -10.465 -11.402 1.00 0.00 C ATOM 371 CD GLU A 24 -15.555 -11.934 -11.111 1.00 0.00 C ATOM 372 OE1 GLU A 24 -14.474 -12.456 -11.447 1.00 0.00 O ATOM 373 OE2 GLU A 24 -16.473 -12.578 -10.564 1.00 0.00 O ATOM 0 H GLU A 24 -17.247 -9.305 -9.600 1.00 0.00 H new ATOM 0 HA GLU A 24 -14.981 -10.708 -8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.144 -8.518 -10.780 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.906 -9.751 -10.648 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.835 -10.233 -11.291 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.512 -10.261 -12.440 1.00 0.00 H new ATOM 380 N LYS A 25 -15.007 -7.432 -8.272 1.00 0.00 N ATOM 381 CA LYS A 25 -14.370 -6.309 -7.596 1.00 0.00 C ATOM 382 C LYS A 25 -14.346 -6.507 -6.084 1.00 0.00 C ATOM 383 O LYS A 25 -13.308 -6.321 -5.448 1.00 0.00 O ATOM 384 CB LYS A 25 -15.091 -5.009 -7.949 1.00 0.00 C ATOM 385 CG LYS A 25 -15.017 -4.671 -9.428 1.00 0.00 C ATOM 386 CD LYS A 25 -15.825 -3.431 -9.764 1.00 0.00 C ATOM 387 CE LYS A 25 -15.705 -3.086 -11.239 1.00 0.00 C ATOM 388 NZ LYS A 25 -16.539 -1.914 -11.608 1.00 0.00 N ATOM 0 H LYS A 25 -15.851 -7.185 -8.788 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.337 -6.252 -7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -16.137 -5.088 -7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.657 -4.192 -7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.977 -4.515 -9.714 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.385 -5.514 -10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.872 -3.595 -9.509 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.478 -2.592 -9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.662 -2.878 -11.479 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.004 -3.946 -11.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.427 -1.714 -12.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -17.538 -2.121 -11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.237 -1.086 -11.056 1.00 0.00 H new ATOM 402 N ASN A 26 -15.479 -6.898 -5.508 1.00 0.00 N ATOM 403 CA ASN A 26 -15.566 -7.103 -4.061 1.00 0.00 C ATOM 404 C ASN A 26 -14.612 -8.201 -3.602 1.00 0.00 C ATOM 405 O ASN A 26 -14.057 -8.132 -2.505 1.00 0.00 O ATOM 406 CB ASN A 26 -16.994 -7.444 -3.627 1.00 0.00 C ATOM 407 CG ASN A 26 -17.952 -6.276 -3.781 1.00 0.00 C ATOM 408 OD1 ASN A 26 -17.556 -5.113 -3.711 1.00 0.00 O ATOM 409 ND2 ASN A 26 -19.225 -6.579 -3.970 1.00 0.00 N ATOM 0 H ASN A 26 -16.346 -7.079 -6.015 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.276 -6.164 -3.589 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -17.357 -8.285 -4.217 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -16.985 -7.765 -2.586 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -19.918 -5.836 -4.063 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -19.514 -7.556 -4.023 1.00 0.00 H new ATOM 416 N ALA A 27 -14.414 -9.206 -4.449 1.00 0.00 N ATOM 417 CA ALA A 27 -13.476 -10.282 -4.147 1.00 0.00 C ATOM 418 C ALA A 27 -12.053 -9.739 -4.071 1.00 0.00 C ATOM 419 O ALA A 27 -11.265 -10.147 -3.218 1.00 0.00 O ATOM 420 CB ALA A 27 -13.572 -11.380 -5.195 1.00 0.00 C ATOM 0 H ALA A 27 -14.889 -9.298 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.736 -10.708 -3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.866 -12.175 -4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.584 -11.785 -5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.335 -10.968 -6.176 1.00 0.00 H new ATOM 426 N VAL A 28 -11.742 -8.805 -4.964 1.00 0.00 N ATOM 427 CA VAL A 28 -10.439 -8.148 -4.973 1.00 0.00 C ATOM 428 C VAL A 28 -10.248 -7.321 -3.703 1.00 0.00 C ATOM 429 O VAL A 28 -9.181 -7.344 -3.089 1.00 0.00 O ATOM 430 CB VAL A 28 -10.281 -7.240 -6.215 1.00 0.00 C ATOM 431 CG1 VAL A 28 -8.934 -6.537 -6.212 1.00 0.00 C ATOM 432 CG2 VAL A 28 -10.456 -8.047 -7.491 1.00 0.00 C ATOM 0 H VAL A 28 -12.378 -8.485 -5.694 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.676 -8.925 -5.013 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.059 -6.478 -6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.851 -5.906 -7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.847 -5.921 -5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.136 -7.280 -6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.342 -7.392 -8.355 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.703 -8.834 -7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.450 -8.495 -7.505 1.00 0.00 H new ATOM 442 N ILE A 29 -11.299 -6.608 -3.306 1.00 0.00 N ATOM 443 CA ILE A 29 -11.266 -5.799 -2.092 1.00 0.00 C ATOM 444 C ILE A 29 -11.055 -6.684 -0.865 1.00 0.00 C ATOM 445 O ILE A 29 -10.279 -6.351 0.033 1.00 0.00 O ATOM 446 CB ILE A 29 -12.571 -4.988 -1.921 1.00 0.00 C ATOM 447 CG1 ILE A 29 -12.849 -4.154 -3.173 1.00 0.00 C ATOM 448 CG2 ILE A 29 -12.482 -4.088 -0.696 1.00 0.00 C ATOM 449 CD1 ILE A 29 -14.189 -3.447 -3.149 1.00 0.00 C ATOM 0 H ILE A 29 -12.186 -6.575 -3.809 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.433 -5.102 -2.186 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.395 -5.687 -1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.059 -3.412 -3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.806 -4.803 -4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.409 -3.524 -0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.325 -4.698 0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.648 -3.396 -0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.316 -2.876 -4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -14.988 -4.184 -3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.229 -2.772 -2.294 1.00 0.00 H new ATOM 461 N LYS A 30 -11.744 -7.818 -0.847 1.00 0.00 N ATOM 462 CA LYS A 30 -11.614 -8.785 0.235 1.00 0.00 C ATOM 463 C LYS A 30 -10.181 -9.309 0.311 1.00 0.00 C ATOM 464 O LYS A 30 -9.609 -9.447 1.395 1.00 0.00 O ATOM 465 CB LYS A 30 -12.595 -9.939 0.019 1.00 0.00 C ATOM 466 CG LYS A 30 -12.665 -10.915 1.179 1.00 0.00 C ATOM 467 CD LYS A 30 -13.651 -12.036 0.898 1.00 0.00 C ATOM 468 CE LYS A 30 -13.845 -12.932 2.110 1.00 0.00 C ATOM 469 NZ LYS A 30 -14.309 -12.164 3.294 1.00 0.00 N ATOM 0 H LYS A 30 -12.403 -8.092 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.849 -8.294 1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.589 -9.529 -0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.309 -10.481 -0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.676 -11.335 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.961 -10.386 2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.610 -11.611 0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.294 -12.632 0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.571 -13.710 1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.906 -13.432 2.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.732 -12.815 3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.501 -11.674 3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.019 -11.464 2.997 1.00 0.00 H new ATOM 483 N ALA A 31 -9.603 -9.588 -0.850 1.00 0.00 N ATOM 484 CA ALA A 31 -8.227 -10.051 -0.928 1.00 0.00 C ATOM 485 C ALA A 31 -7.271 -8.992 -0.396 1.00 0.00 C ATOM 486 O ALA A 31 -6.313 -9.308 0.305 1.00 0.00 O ATOM 487 CB ALA A 31 -7.873 -10.416 -2.358 1.00 0.00 C ATOM 0 H ALA A 31 -10.069 -9.501 -1.753 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.129 -10.942 -0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.840 -10.761 -2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.535 -11.209 -2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.990 -9.540 -2.997 1.00 0.00 H new ATOM 493 N ALA A 32 -7.553 -7.735 -0.719 1.00 0.00 N ATOM 494 CA ALA A 32 -6.738 -6.621 -0.256 1.00 0.00 C ATOM 495 C ALA A 32 -6.662 -6.591 1.268 1.00 0.00 C ATOM 496 O ALA A 32 -5.607 -6.305 1.839 1.00 0.00 O ATOM 497 CB ALA A 32 -7.287 -5.307 -0.791 1.00 0.00 C ATOM 0 H ALA A 32 -8.344 -7.462 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.726 -6.758 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.668 -4.483 -0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.278 -5.326 -1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.310 -5.170 -0.439 1.00 0.00 H new ATOM 503 N TYR A 33 -7.774 -6.907 1.925 1.00 0.00 N ATOM 504 CA TYR A 33 -7.807 -6.969 3.383 1.00 0.00 C ATOM 505 C TYR A 33 -6.847 -8.039 3.888 1.00 0.00 C ATOM 506 O TYR A 33 -6.011 -7.778 4.755 1.00 0.00 O ATOM 507 CB TYR A 33 -9.218 -7.275 3.889 1.00 0.00 C ATOM 508 CG TYR A 33 -10.255 -6.242 3.514 1.00 0.00 C ATOM 509 CD1 TYR A 33 -9.997 -4.882 3.643 1.00 0.00 C ATOM 510 CD2 TYR A 33 -11.503 -6.631 3.048 1.00 0.00 C ATOM 511 CE1 TYR A 33 -10.955 -3.941 3.317 1.00 0.00 C ATOM 512 CE2 TYR A 33 -12.464 -5.698 2.716 1.00 0.00 C ATOM 513 CZ TYR A 33 -12.187 -4.356 2.853 1.00 0.00 C ATOM 514 OH TYR A 33 -13.147 -3.427 2.530 1.00 0.00 O ATOM 0 H TYR A 33 -8.662 -7.124 1.473 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.501 -5.995 3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.529 -8.243 3.497 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.189 -7.365 4.975 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.033 -4.556 4.004 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.726 -7.683 2.943 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.741 -2.888 3.425 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.428 -6.019 2.351 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.955 -3.886 2.219 1.00 0.00 H new ATOM 524 N ARG A 34 -6.964 -9.238 3.326 1.00 0.00 N ATOM 525 CA ARG A 34 -6.131 -10.363 3.739 1.00 0.00 C ATOM 526 C ARG A 34 -4.655 -10.114 3.462 1.00 0.00 C ATOM 527 O ARG A 34 -3.798 -10.489 4.258 1.00 0.00 O ATOM 528 CB ARG A 34 -6.560 -11.652 3.038 1.00 0.00 C ATOM 529 CG ARG A 34 -7.708 -12.373 3.719 1.00 0.00 C ATOM 530 CD ARG A 34 -7.955 -13.738 3.088 1.00 0.00 C ATOM 531 NE ARG A 34 -6.706 -14.490 2.909 1.00 0.00 N ATOM 532 CZ ARG A 34 -6.120 -15.225 3.858 1.00 0.00 C ATOM 533 NH1 ARG A 34 -6.683 -15.350 5.055 1.00 0.00 N ATOM 534 NH2 ARG A 34 -4.969 -15.842 3.603 1.00 0.00 N ATOM 0 H ARG A 34 -7.628 -9.456 2.583 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.269 -10.469 4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.849 -11.417 2.013 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.704 -12.325 2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.486 -12.495 4.779 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.612 -11.769 3.650 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.637 -14.311 3.716 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.443 -13.609 2.122 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.254 -14.448 1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.568 -14.883 5.254 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.230 -15.913 5.775 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.535 -15.753 2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.520 -16.404 4.327 1.00 0.00 H new ATOM 548 N GLN A 35 -4.358 -9.483 2.341 1.00 0.00 N ATOM 549 CA GLN A 35 -2.974 -9.296 1.935 1.00 0.00 C ATOM 550 C GLN A 35 -2.318 -8.120 2.660 1.00 0.00 C ATOM 551 O GLN A 35 -1.147 -8.195 3.032 1.00 0.00 O ATOM 552 CB GLN A 35 -2.874 -9.112 0.419 1.00 0.00 C ATOM 553 CG GLN A 35 -3.465 -10.266 -0.381 1.00 0.00 C ATOM 554 CD GLN A 35 -2.931 -11.619 0.055 1.00 0.00 C ATOM 555 OE1 GLN A 35 -3.500 -12.277 0.926 1.00 0.00 O ATOM 556 NE2 GLN A 35 -1.833 -12.041 -0.549 1.00 0.00 N ATOM 0 H GLN A 35 -5.048 -9.094 1.699 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.431 -10.198 2.217 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.384 -8.190 0.140 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.826 -8.992 0.145 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.550 -10.257 -0.275 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.247 -10.118 -1.439 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.392 -11.465 -1.266 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.427 -12.942 -0.298 1.00 0.00 H new ATOM 565 N ILE A 36 -3.061 -7.041 2.876 1.00 0.00 N ATOM 566 CA ILE A 36 -2.487 -5.844 3.487 1.00 0.00 C ATOM 567 C ILE A 36 -2.585 -5.876 5.012 1.00 0.00 C ATOM 568 O ILE A 36 -1.615 -5.580 5.706 1.00 0.00 O ATOM 569 CB ILE A 36 -3.146 -4.554 2.948 1.00 0.00 C ATOM 570 CG1 ILE A 36 -2.907 -4.441 1.439 1.00 0.00 C ATOM 571 CG2 ILE A 36 -2.603 -3.325 3.677 1.00 0.00 C ATOM 572 CD1 ILE A 36 -3.458 -3.174 0.828 1.00 0.00 C ATOM 0 H ILE A 36 -4.051 -6.968 2.641 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.432 -5.838 3.211 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.219 -4.603 3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.835 -4.491 1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.360 -5.299 0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.080 -2.428 3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.816 -3.410 4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.525 -3.259 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.250 -3.166 -0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.535 -3.131 0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.987 -2.310 1.296 1.00 0.00 H new ATOM 584 N PHE A 37 -3.742 -6.243 5.536 1.00 0.00 N ATOM 585 CA PHE A 37 -3.940 -6.238 6.982 1.00 0.00 C ATOM 586 C PHE A 37 -3.712 -7.621 7.581 1.00 0.00 C ATOM 587 O PHE A 37 -3.436 -7.746 8.777 1.00 0.00 O ATOM 588 CB PHE A 37 -5.341 -5.732 7.330 1.00 0.00 C ATOM 589 CG PHE A 37 -5.568 -4.299 6.941 1.00 0.00 C ATOM 590 CD1 PHE A 37 -5.024 -3.273 7.694 1.00 0.00 C ATOM 591 CD2 PHE A 37 -6.321 -3.980 5.822 1.00 0.00 C ATOM 592 CE1 PHE A 37 -5.225 -1.953 7.340 1.00 0.00 C ATOM 593 CE2 PHE A 37 -6.526 -2.662 5.463 1.00 0.00 C ATOM 594 CZ PHE A 37 -5.977 -1.647 6.223 1.00 0.00 C ATOM 0 H PHE A 37 -4.551 -6.545 4.993 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.204 -5.561 7.414 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.080 -6.358 6.831 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.503 -5.840 8.402 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.435 -3.507 8.569 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.752 -4.770 5.225 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.795 -1.162 7.936 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.115 -2.425 4.589 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.136 -0.616 5.944 1.00 0.00 H new ATOM 604 N GLU A 38 -3.828 -8.653 6.743 1.00 0.00 N ATOM 605 CA GLU A 38 -3.674 -10.045 7.178 1.00 0.00 C ATOM 606 C GLU A 38 -4.726 -10.410 8.220 1.00 0.00 C ATOM 607 O GLU A 38 -4.555 -11.358 8.986 1.00 0.00 O ATOM 608 CB GLU A 38 -2.271 -10.303 7.737 1.00 0.00 C ATOM 609 CG GLU A 38 -1.162 -10.154 6.708 1.00 0.00 C ATOM 610 CD GLU A 38 0.193 -10.524 7.271 1.00 0.00 C ATOM 611 OE1 GLU A 38 0.847 -9.652 7.883 1.00 0.00 O ATOM 612 OE2 GLU A 38 0.604 -11.695 7.121 1.00 0.00 O ATOM 0 H GLU A 38 -4.030 -8.550 5.749 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.815 -10.677 6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.085 -9.612 8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.235 -11.310 8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.380 -10.785 5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.136 -9.125 6.350 1.00 0.00 H new ATOM 720 N TYR A 45 -14.368 -0.964 12.442 1.00 0.00 N ATOM 721 CA TYR A 45 -13.614 0.124 11.842 1.00 0.00 C ATOM 722 C TYR A 45 -14.398 0.670 10.647 1.00 0.00 C ATOM 723 O TYR A 45 -13.821 1.206 9.697 1.00 0.00 O ATOM 724 CB TYR A 45 -12.241 -0.380 11.379 1.00 0.00 C ATOM 725 CG TYR A 45 -11.533 -1.270 12.385 1.00 0.00 C ATOM 726 CD1 TYR A 45 -10.892 -0.734 13.496 1.00 0.00 C ATOM 727 CD2 TYR A 45 -11.507 -2.650 12.217 1.00 0.00 C ATOM 728 CE1 TYR A 45 -10.247 -1.549 14.410 1.00 0.00 C ATOM 729 CE2 TYR A 45 -10.865 -3.470 13.127 1.00 0.00 C ATOM 730 CZ TYR A 45 -10.237 -2.916 14.221 1.00 0.00 C ATOM 731 OH TYR A 45 -9.593 -3.732 15.127 1.00 0.00 O ATOM 0 HA TYR A 45 -13.464 0.915 12.577 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.364 -0.931 10.447 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.606 0.479 11.160 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.897 0.335 13.648 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.997 -3.089 11.361 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.753 -1.117 15.268 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.856 -4.540 12.981 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.682 -4.667 14.846 1.00 0.00 H new ATOM 741 N SER A 46 -15.721 0.544 10.720 1.00 0.00 N ATOM 742 CA SER A 46 -16.601 0.866 9.599 1.00 0.00 C ATOM 743 C SER A 46 -16.592 2.365 9.294 1.00 0.00 C ATOM 744 O SER A 46 -15.916 3.146 9.972 1.00 0.00 O ATOM 745 CB SER A 46 -18.024 0.375 9.901 1.00 0.00 C ATOM 746 OG SER A 46 -18.883 0.512 8.776 1.00 0.00 O ATOM 0 H SER A 46 -16.211 0.218 11.553 1.00 0.00 H new ATOM 0 HA SER A 46 -16.231 0.355 8.710 1.00 0.00 H new ATOM 0 HB2 SER A 46 -17.990 -0.671 10.206 1.00 0.00 H new ATOM 0 HB3 SER A 46 -18.432 0.939 10.740 1.00 0.00 H new ATOM 0 HG SER A 46 -19.779 0.188 9.007 1.00 0.00 H new ATOM 752 N GLN A 47 -17.361 2.750 8.273 1.00 0.00 N ATOM 753 CA GLN A 47 -17.334 4.101 7.703 1.00 0.00 C ATOM 754 C GLN A 47 -16.029 4.327 6.945 1.00 0.00 C ATOM 755 O GLN A 47 -16.046 4.565 5.742 1.00 0.00 O ATOM 756 CB GLN A 47 -17.535 5.192 8.766 1.00 0.00 C ATOM 757 CG GLN A 47 -17.467 6.603 8.199 1.00 0.00 C ATOM 758 CD GLN A 47 -17.644 7.685 9.251 1.00 0.00 C ATOM 759 OE1 GLN A 47 -18.444 7.411 10.271 1.00 0.00 O flip ATOM 760 NE2 GLN A 47 -17.078 8.771 9.138 1.00 0.00 N flip ATOM 0 H GLN A 47 -18.026 2.128 7.814 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.172 4.176 7.010 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.502 5.047 9.247 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -16.775 5.081 9.539 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.506 6.742 7.704 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.238 6.718 7.437 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -16.469 8.948 8.339 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.218 9.495 9.843 1.00 0.00 H new ATOM 769 N SER A 48 -14.908 4.227 7.649 1.00 0.00 N ATOM 770 CA SER A 48 -13.594 4.399 7.047 1.00 0.00 C ATOM 771 C SER A 48 -13.341 3.333 5.978 1.00 0.00 C ATOM 772 O SER A 48 -12.899 3.643 4.871 1.00 0.00 O ATOM 773 CB SER A 48 -12.520 4.324 8.134 1.00 0.00 C ATOM 774 OG SER A 48 -12.815 5.215 9.197 1.00 0.00 O ATOM 0 H SER A 48 -14.885 4.025 8.649 1.00 0.00 H new ATOM 0 HA SER A 48 -13.554 5.376 6.565 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.453 3.305 8.516 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.547 4.569 7.708 1.00 0.00 H new ATOM 0 HG SER A 48 -12.117 5.150 9.882 1.00 0.00 H new ATOM 780 N ILE A 49 -13.639 2.081 6.319 1.00 0.00 N ATOM 781 CA ILE A 49 -13.448 0.965 5.398 1.00 0.00 C ATOM 782 C ILE A 49 -14.303 1.136 4.146 1.00 0.00 C ATOM 783 O ILE A 49 -13.790 1.115 3.030 1.00 0.00 O ATOM 784 CB ILE A 49 -13.799 -0.382 6.065 1.00 0.00 C ATOM 785 CG1 ILE A 49 -12.947 -0.596 7.315 1.00 0.00 C ATOM 786 CG2 ILE A 49 -13.599 -1.530 5.084 1.00 0.00 C ATOM 787 CD1 ILE A 49 -13.289 -1.864 8.063 1.00 0.00 C ATOM 0 H ILE A 49 -14.015 1.814 7.229 1.00 0.00 H new ATOM 0 HA ILE A 49 -12.394 0.960 5.120 1.00 0.00 H new ATOM 0 HB ILE A 49 -14.848 -0.358 6.360 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.896 -0.624 7.029 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.073 0.256 7.982 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.851 -2.472 5.570 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.244 -1.385 4.218 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -12.558 -1.555 4.761 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -12.647 -1.954 8.939 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.332 -1.830 8.379 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -13.135 -2.724 7.411 1.00 0.00 H new ATOM 799 N SER A 50 -15.601 1.330 4.344 1.00 0.00 N ATOM 800 CA SER A 50 -16.545 1.427 3.240 1.00 0.00 C ATOM 801 C SER A 50 -16.301 2.675 2.393 1.00 0.00 C ATOM 802 O SER A 50 -16.571 2.679 1.191 1.00 0.00 O ATOM 803 CB SER A 50 -17.969 1.414 3.788 1.00 0.00 C ATOM 804 OG SER A 50 -18.059 2.192 4.970 1.00 0.00 O ATOM 0 H SER A 50 -16.025 1.424 5.267 1.00 0.00 H new ATOM 0 HA SER A 50 -16.400 0.567 2.587 1.00 0.00 H new ATOM 0 HB2 SER A 50 -18.656 1.804 3.037 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.274 0.389 3.998 1.00 0.00 H new ATOM 0 HG SER A 50 -18.980 2.173 5.305 1.00 0.00 H new ATOM 810 N TYR A 51 -15.791 3.727 3.020 1.00 0.00 N ATOM 811 CA TYR A 51 -15.428 4.944 2.306 1.00 0.00 C ATOM 812 C TYR A 51 -14.355 4.634 1.265 1.00 0.00 C ATOM 813 O TYR A 51 -14.554 4.852 0.070 1.00 0.00 O ATOM 814 CB TYR A 51 -14.940 6.006 3.299 1.00 0.00 C ATOM 815 CG TYR A 51 -14.507 7.313 2.674 1.00 0.00 C ATOM 816 CD1 TYR A 51 -15.378 8.056 1.886 1.00 0.00 C ATOM 817 CD2 TYR A 51 -13.226 7.808 2.882 1.00 0.00 C ATOM 818 CE1 TYR A 51 -14.982 9.254 1.320 1.00 0.00 C ATOM 819 CE2 TYR A 51 -12.823 9.005 2.322 1.00 0.00 C ATOM 820 CZ TYR A 51 -13.703 9.724 1.544 1.00 0.00 C ATOM 821 OH TYR A 51 -13.300 10.916 0.987 1.00 0.00 O ATOM 0 H TYR A 51 -15.619 3.762 4.025 1.00 0.00 H new ATOM 0 HA TYR A 51 -16.304 5.336 1.789 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -15.738 6.209 4.013 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -14.103 5.596 3.865 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -16.380 7.692 1.713 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -12.533 7.248 3.492 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -15.669 9.818 0.707 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.823 9.375 2.493 1.00 0.00 H new ATOM 0 HH TYR A 51 -12.373 11.101 1.245 1.00 0.00 H new ATOM 831 N LEU A 52 -13.239 4.080 1.721 1.00 0.00 N ATOM 832 CA LEU A 52 -12.149 3.720 0.824 1.00 0.00 C ATOM 833 C LEU A 52 -12.587 2.611 -0.130 1.00 0.00 C ATOM 834 O LEU A 52 -12.214 2.609 -1.309 1.00 0.00 O ATOM 835 CB LEU A 52 -10.923 3.285 1.632 1.00 0.00 C ATOM 836 CG LEU A 52 -10.313 4.375 2.514 1.00 0.00 C ATOM 837 CD1 LEU A 52 -9.162 3.820 3.332 1.00 0.00 C ATOM 838 CD2 LEU A 52 -9.849 5.545 1.666 1.00 0.00 C ATOM 0 H LEU A 52 -13.065 3.871 2.704 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.881 4.594 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.203 2.442 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.159 2.927 0.942 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.080 4.730 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.742 4.611 3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.524 3.013 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.392 3.436 2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.417 6.312 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.097 5.203 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.698 5.961 1.125 1.00 0.00 H new ATOM 850 N GLU A 53 -13.394 1.684 0.386 1.00 0.00 N ATOM 851 CA GLU A 53 -13.942 0.601 -0.420 1.00 0.00 C ATOM 852 C GLU A 53 -14.679 1.157 -1.627 1.00 0.00 C ATOM 853 O GLU A 53 -14.331 0.852 -2.757 1.00 0.00 O ATOM 854 CB GLU A 53 -14.907 -0.262 0.403 1.00 0.00 C ATOM 855 CG GLU A 53 -15.504 -1.419 -0.387 1.00 0.00 C ATOM 856 CD GLU A 53 -16.726 -2.026 0.273 1.00 0.00 C ATOM 857 OE1 GLU A 53 -16.579 -2.702 1.311 1.00 0.00 O ATOM 858 OE2 GLU A 53 -17.845 -1.830 -0.252 1.00 0.00 O ATOM 0 H GLU A 53 -13.682 1.665 1.364 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.108 -0.017 -0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.379 -0.658 1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.714 0.366 0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.774 -1.069 -1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.746 -2.192 -0.515 1.00 0.00 H new ATOM 865 N SER A 54 -15.676 2.001 -1.377 1.00 0.00 N ATOM 866 CA SER A 54 -16.532 2.516 -2.438 1.00 0.00 C ATOM 867 C SER A 54 -15.741 3.323 -3.470 1.00 0.00 C ATOM 868 O SER A 54 -16.108 3.355 -4.647 1.00 0.00 O ATOM 869 CB SER A 54 -17.665 3.354 -1.843 1.00 0.00 C ATOM 870 OG SER A 54 -17.170 4.316 -0.928 1.00 0.00 O ATOM 0 H SER A 54 -15.910 2.343 -0.445 1.00 0.00 H new ATOM 0 HA SER A 54 -16.962 1.662 -2.962 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.207 3.857 -2.644 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.376 2.701 -1.337 1.00 0.00 H new ATOM 0 HG SER A 54 -16.998 3.887 -0.064 1.00 0.00 H new ATOM 876 N GLN A 55 -14.659 3.963 -3.036 1.00 0.00 N ATOM 877 CA GLN A 55 -13.805 4.716 -3.950 1.00 0.00 C ATOM 878 C GLN A 55 -13.209 3.802 -5.018 1.00 0.00 C ATOM 879 O GLN A 55 -13.351 4.054 -6.215 1.00 0.00 O ATOM 880 CB GLN A 55 -12.682 5.423 -3.195 1.00 0.00 C ATOM 881 CG GLN A 55 -13.170 6.421 -2.162 1.00 0.00 C ATOM 882 CD GLN A 55 -12.034 7.147 -1.468 1.00 0.00 C ATOM 883 OE1 GLN A 55 -10.952 7.406 -2.192 1.00 0.00 O flip ATOM 884 NE2 GLN A 55 -12.130 7.489 -0.293 1.00 0.00 N flip ATOM 0 H GLN A 55 -14.354 3.976 -2.063 1.00 0.00 H new ATOM 0 HA GLN A 55 -14.429 5.467 -4.435 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.063 4.675 -2.699 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.044 5.940 -3.912 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.820 7.150 -2.646 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.773 5.901 -1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.977 7.273 0.233 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.363 7.989 0.157 1.00 0.00 H new ATOM 893 N VAL A 56 -12.549 2.733 -4.588 1.00 0.00 N ATOM 894 CA VAL A 56 -11.933 1.803 -5.530 1.00 0.00 C ATOM 895 C VAL A 56 -13.005 0.926 -6.185 1.00 0.00 C ATOM 896 O VAL A 56 -12.910 0.575 -7.361 1.00 0.00 O ATOM 897 CB VAL A 56 -10.853 0.926 -4.843 1.00 0.00 C ATOM 898 CG1 VAL A 56 -11.461 -0.021 -3.817 1.00 0.00 C ATOM 899 CG2 VAL A 56 -10.041 0.158 -5.876 1.00 0.00 C ATOM 0 H VAL A 56 -12.427 2.489 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.435 2.389 -6.303 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.181 1.597 -4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.671 -0.617 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.973 0.557 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.175 -0.681 -4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.290 -0.450 -5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.703 -0.488 -6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.547 0.861 -6.547 1.00 0.00 H new ATOM 909 N ARG A 57 -14.049 0.631 -5.420 1.00 0.00 N ATOM 910 CA ARG A 57 -15.155 -0.211 -5.869 1.00 0.00 C ATOM 911 C ARG A 57 -15.878 0.401 -7.066 1.00 0.00 C ATOM 912 O ARG A 57 -16.441 -0.315 -7.891 1.00 0.00 O ATOM 913 CB ARG A 57 -16.121 -0.418 -4.698 1.00 0.00 C ATOM 914 CG ARG A 57 -17.348 -1.257 -5.002 1.00 0.00 C ATOM 915 CD ARG A 57 -18.160 -1.474 -3.735 1.00 0.00 C ATOM 916 NE ARG A 57 -19.483 -2.029 -4.002 1.00 0.00 N ATOM 917 CZ ARG A 57 -20.274 -2.555 -3.066 1.00 0.00 C ATOM 918 NH1 ARG A 57 -19.871 -2.633 -1.800 1.00 0.00 N ATOM 919 NH2 ARG A 57 -21.479 -3.001 -3.399 1.00 0.00 N ATOM 0 H ARG A 57 -14.154 0.971 -4.464 1.00 0.00 H new ATOM 0 HA ARG A 57 -14.759 -1.172 -6.197 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.576 -0.887 -3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -16.449 0.559 -4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -17.960 -0.760 -5.755 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -17.047 -2.218 -5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -17.616 -2.145 -3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -18.268 -0.525 -3.210 1.00 0.00 H new ATOM 0 HE ARG A 57 -19.824 -2.014 -4.963 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -18.948 -2.288 -1.536 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -20.485 -3.037 -1.093 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -21.796 -2.940 -4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -22.088 -3.404 -2.687 1.00 0.00 H new ATOM 933 N ASN A 58 -15.863 1.725 -7.165 1.00 0.00 N ATOM 934 CA ASN A 58 -16.495 2.410 -8.289 1.00 0.00 C ATOM 935 C ASN A 58 -15.461 2.846 -9.321 1.00 0.00 C ATOM 936 O ASN A 58 -15.791 3.515 -10.304 1.00 0.00 O ATOM 937 CB ASN A 58 -17.306 3.619 -7.812 1.00 0.00 C ATOM 938 CG ASN A 58 -18.609 3.222 -7.145 1.00 0.00 C ATOM 939 OD1 ASN A 58 -19.635 3.060 -7.805 1.00 0.00 O ATOM 940 ND2 ASN A 58 -18.582 3.071 -5.831 1.00 0.00 N ATOM 0 H ASN A 58 -15.423 2.344 -6.485 1.00 0.00 H new ATOM 0 HA ASN A 58 -17.175 1.701 -8.762 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.706 4.200 -7.112 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.520 4.266 -8.662 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.432 2.811 -5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.712 3.214 -5.319 1.00 0.00 H new ATOM 947 N GLY A 59 -14.211 2.461 -9.096 1.00 0.00 N ATOM 948 CA GLY A 59 -13.153 2.763 -10.042 1.00 0.00 C ATOM 949 C GLY A 59 -12.760 4.228 -10.059 1.00 0.00 C ATOM 950 O GLY A 59 -12.349 4.751 -11.093 1.00 0.00 O ATOM 0 H GLY A 59 -13.910 1.942 -8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.276 2.162 -9.799 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.474 2.469 -11.041 1.00 0.00 H new ATOM 954 N ASP A 60 -12.891 4.900 -8.921 1.00 0.00 N ATOM 955 CA ASP A 60 -12.466 6.291 -8.814 1.00 0.00 C ATOM 956 C ASP A 60 -10.987 6.357 -8.476 1.00 0.00 C ATOM 957 O ASP A 60 -10.297 7.319 -8.820 1.00 0.00 O ATOM 958 CB ASP A 60 -13.286 7.044 -7.764 1.00 0.00 C ATOM 959 CG ASP A 60 -14.684 7.366 -8.248 1.00 0.00 C ATOM 960 OD1 ASP A 60 -14.852 8.385 -8.952 1.00 0.00 O ATOM 961 OD2 ASP A 60 -15.621 6.604 -7.930 1.00 0.00 O ATOM 0 H ASP A 60 -13.285 4.508 -8.066 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.635 6.773 -9.777 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.348 6.444 -6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.773 7.969 -7.501 1.00 0.00 H new ATOM 966 N ILE A 61 -10.504 5.324 -7.800 1.00 0.00 N ATOM 967 CA ILE A 61 -9.089 5.194 -7.501 1.00 0.00 C ATOM 968 C ILE A 61 -8.625 3.787 -7.849 1.00 0.00 C ATOM 969 O ILE A 61 -9.388 2.832 -7.716 1.00 0.00 O ATOM 970 CB ILE A 61 -8.766 5.484 -6.014 1.00 0.00 C ATOM 971 CG1 ILE A 61 -9.504 4.505 -5.093 1.00 0.00 C ATOM 972 CG2 ILE A 61 -9.114 6.924 -5.661 1.00 0.00 C ATOM 973 CD1 ILE A 61 -9.111 4.624 -3.636 1.00 0.00 C ATOM 0 H ILE A 61 -11.079 4.559 -7.447 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.562 5.935 -8.102 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.695 5.344 -5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.577 4.672 -5.185 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.310 3.487 -5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.880 7.108 -4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.534 7.602 -6.287 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -10.177 7.093 -5.831 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.674 3.900 -3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.044 4.427 -3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.331 5.631 -3.281 1.00 0.00 H new ATOM 985 N SER A 62 -7.392 3.666 -8.313 1.00 0.00 N ATOM 986 CA SER A 62 -6.827 2.364 -8.648 1.00 0.00 C ATOM 987 C SER A 62 -6.527 1.571 -7.380 1.00 0.00 C ATOM 988 O SER A 62 -6.534 2.129 -6.278 1.00 0.00 O ATOM 989 CB SER A 62 -5.538 2.544 -9.451 1.00 0.00 C ATOM 990 OG SER A 62 -5.739 3.404 -10.560 1.00 0.00 O ATOM 0 H SER A 62 -6.761 4.452 -8.467 1.00 0.00 H new ATOM 0 HA SER A 62 -7.555 1.816 -9.246 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.760 2.953 -8.807 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.185 1.573 -9.800 1.00 0.00 H new ATOM 0 HG SER A 62 -5.019 3.271 -11.212 1.00 0.00 H new ATOM 996 N MET A 63 -6.260 0.277 -7.541 1.00 0.00 N ATOM 997 CA MET A 63 -5.828 -0.568 -6.429 1.00 0.00 C ATOM 998 C MET A 63 -4.614 0.064 -5.751 1.00 0.00 C ATOM 999 O MET A 63 -4.496 0.060 -4.528 1.00 0.00 O ATOM 1000 CB MET A 63 -5.469 -1.966 -6.943 1.00 0.00 C ATOM 1001 CG MET A 63 -5.124 -2.969 -5.854 1.00 0.00 C ATOM 1002 SD MET A 63 -6.533 -3.982 -5.358 1.00 0.00 S ATOM 1003 CE MET A 63 -7.619 -2.776 -4.604 1.00 0.00 C ATOM 0 H MET A 63 -6.335 -0.211 -8.434 1.00 0.00 H new ATOM 0 HA MET A 63 -6.640 -0.656 -5.707 1.00 0.00 H new ATOM 0 HB2 MET A 63 -6.307 -2.352 -7.523 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.622 -1.882 -7.624 1.00 0.00 H new ATOM 0 HG2 MET A 63 -4.323 -3.618 -6.206 1.00 0.00 H new ATOM 0 HG3 MET A 63 -4.743 -2.435 -4.983 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.298 -3.278 -3.915 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.025 -2.043 -4.058 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.196 -2.272 -5.379 1.00 0.00 H new ATOM 1013 N LYS A 64 -3.727 0.610 -6.580 1.00 0.00 N ATOM 1014 CA LYS A 64 -2.575 1.386 -6.126 1.00 0.00 C ATOM 1015 C LYS A 64 -2.982 2.425 -5.085 1.00 0.00 C ATOM 1016 O LYS A 64 -2.407 2.490 -3.999 1.00 0.00 O ATOM 1017 CB LYS A 64 -1.944 2.085 -7.333 1.00 0.00 C ATOM 1018 CG LYS A 64 -0.828 3.058 -6.993 1.00 0.00 C ATOM 1019 CD LYS A 64 -0.430 3.863 -8.221 1.00 0.00 C ATOM 1020 CE LYS A 64 0.627 4.910 -7.909 1.00 0.00 C ATOM 1021 NZ LYS A 64 0.889 5.782 -9.084 1.00 0.00 N ATOM 0 H LYS A 64 -3.788 0.526 -7.595 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.858 0.710 -5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.552 1.327 -8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.724 2.622 -7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.153 3.731 -6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.036 2.512 -6.613 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.053 3.187 -8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.312 4.353 -8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.300 5.520 -7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.551 4.418 -7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.615 6.486 -8.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.224 5.202 -9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.012 6.270 -9.357 1.00 0.00 H new ATOM 1035 N GLU A 65 -3.990 3.222 -5.419 1.00 0.00 N ATOM 1036 CA GLU A 65 -4.444 4.294 -4.545 1.00 0.00 C ATOM 1037 C GLU A 65 -5.112 3.735 -3.300 1.00 0.00 C ATOM 1038 O GLU A 65 -5.012 4.315 -2.219 1.00 0.00 O ATOM 1039 CB GLU A 65 -5.406 5.217 -5.292 1.00 0.00 C ATOM 1040 CG GLU A 65 -4.761 5.926 -6.468 1.00 0.00 C ATOM 1041 CD GLU A 65 -3.500 6.655 -6.067 1.00 0.00 C ATOM 1042 OE1 GLU A 65 -3.583 7.558 -5.215 1.00 0.00 O ATOM 1043 OE2 GLU A 65 -2.418 6.311 -6.587 1.00 0.00 O ATOM 0 H GLU A 65 -4.510 3.144 -6.293 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.572 4.870 -4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.255 4.634 -5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.798 5.961 -4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.528 5.199 -7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.469 6.635 -6.896 1.00 0.00 H new ATOM 1050 N PHE A 66 -5.787 2.606 -3.455 1.00 0.00 N ATOM 1051 CA PHE A 66 -6.425 1.939 -2.330 1.00 0.00 C ATOM 1052 C PHE A 66 -5.365 1.521 -1.316 1.00 0.00 C ATOM 1053 O PHE A 66 -5.514 1.753 -0.117 1.00 0.00 O ATOM 1054 CB PHE A 66 -7.221 0.723 -2.822 1.00 0.00 C ATOM 1055 CG PHE A 66 -8.081 0.077 -1.773 1.00 0.00 C ATOM 1056 CD1 PHE A 66 -9.084 0.793 -1.142 1.00 0.00 C ATOM 1057 CD2 PHE A 66 -7.892 -1.251 -1.424 1.00 0.00 C ATOM 1058 CE1 PHE A 66 -9.883 0.200 -0.184 1.00 0.00 C ATOM 1059 CE2 PHE A 66 -8.689 -1.851 -0.467 1.00 0.00 C ATOM 1060 CZ PHE A 66 -9.686 -1.123 0.155 1.00 0.00 C ATOM 0 H PHE A 66 -5.907 2.132 -4.350 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.119 2.626 -1.846 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.854 1.031 -3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.524 -0.019 -3.210 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.244 1.829 -1.402 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.113 -1.824 -1.905 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -10.661 0.771 0.299 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.533 -2.887 -0.206 1.00 0.00 H new ATOM 0 HZ PHE A 66 -10.309 -1.588 0.904 1.00 0.00 H new ATOM 1070 N VAL A 67 -4.278 0.933 -1.814 1.00 0.00 N ATOM 1071 CA VAL A 67 -3.155 0.540 -0.965 1.00 0.00 C ATOM 1072 C VAL A 67 -2.530 1.764 -0.299 1.00 0.00 C ATOM 1073 O VAL A 67 -2.290 1.767 0.911 1.00 0.00 O ATOM 1074 CB VAL A 67 -2.072 -0.215 -1.770 1.00 0.00 C ATOM 1075 CG1 VAL A 67 -0.900 -0.608 -0.878 1.00 0.00 C ATOM 1076 CG2 VAL A 67 -2.667 -1.442 -2.444 1.00 0.00 C ATOM 0 H VAL A 67 -4.152 0.718 -2.803 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.548 -0.130 -0.200 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.696 0.456 -2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.154 -1.137 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.453 0.289 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.254 -1.257 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.890 -1.961 -3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.075 -2.111 -1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.462 -1.134 -3.123 1.00 0.00 H new ATOM 1086 N ARG A 68 -2.286 2.806 -1.098 1.00 0.00 N ATOM 1087 CA ARG A 68 -1.693 4.044 -0.598 1.00 0.00 C ATOM 1088 C ARG A 68 -2.512 4.621 0.546 1.00 0.00 C ATOM 1089 O ARG A 68 -1.978 4.912 1.611 1.00 0.00 O ATOM 1090 CB ARG A 68 -1.577 5.091 -1.714 1.00 0.00 C ATOM 1091 CG ARG A 68 -0.605 4.713 -2.820 1.00 0.00 C ATOM 1092 CD ARG A 68 -0.593 5.738 -3.944 1.00 0.00 C ATOM 1093 NE ARG A 68 0.021 7.007 -3.544 1.00 0.00 N ATOM 1094 CZ ARG A 68 -0.059 8.134 -4.258 1.00 0.00 C ATOM 1095 NH1 ARG A 68 -0.794 8.185 -5.360 1.00 0.00 N ATOM 1096 NH2 ARG A 68 0.576 9.221 -3.849 1.00 0.00 N ATOM 0 H ARG A 68 -2.492 2.814 -2.097 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.695 3.798 -0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.563 5.252 -2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.263 6.039 -1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.398 4.619 -2.404 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.876 3.737 -3.223 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.051 5.330 -4.797 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.615 5.922 -4.274 1.00 0.00 H new ATOM 0 HE ARG A 68 0.541 7.032 -2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.306 7.359 -5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.848 9.050 -5.897 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.125 9.198 -2.990 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.516 10.082 -4.393 1.00 0.00 H new ATOM 1110 N ARG A 69 -3.812 4.759 0.330 1.00 0.00 N ATOM 1111 CA ARG A 69 -4.674 5.431 1.290 1.00 0.00 C ATOM 1112 C ARG A 69 -4.980 4.546 2.500 1.00 0.00 C ATOM 1113 O ARG A 69 -5.302 5.052 3.574 1.00 0.00 O ATOM 1114 CB ARG A 69 -5.961 5.900 0.609 1.00 0.00 C ATOM 1115 CG ARG A 69 -5.703 6.869 -0.538 1.00 0.00 C ATOM 1116 CD ARG A 69 -6.991 7.378 -1.160 1.00 0.00 C ATOM 1117 NE ARG A 69 -6.742 8.219 -2.334 1.00 0.00 N ATOM 1118 CZ ARG A 69 -7.509 9.252 -2.693 1.00 0.00 C ATOM 1119 NH1 ARG A 69 -8.530 9.621 -1.931 1.00 0.00 N ATOM 1120 NH2 ARG A 69 -7.237 9.932 -3.801 1.00 0.00 N ATOM 0 H ARG A 69 -4.292 4.415 -0.501 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.140 6.304 1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.503 5.033 0.231 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.603 6.381 1.347 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.119 7.714 -0.173 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.104 6.374 -1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.614 6.531 -1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.551 7.948 -0.418 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.931 8.002 -2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.731 9.116 -1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.114 10.410 -2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.441 9.666 -4.380 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.824 10.720 -4.073 1.00 0.00 H new ATOM 1134 N LEU A 70 -4.870 3.230 2.335 1.00 0.00 N ATOM 1135 CA LEU A 70 -5.018 2.313 3.462 1.00 0.00 C ATOM 1136 C LEU A 70 -3.813 2.405 4.386 1.00 0.00 C ATOM 1137 O LEU A 70 -3.958 2.528 5.599 1.00 0.00 O ATOM 1138 CB LEU A 70 -5.184 0.864 2.989 1.00 0.00 C ATOM 1139 CG LEU A 70 -6.597 0.463 2.556 1.00 0.00 C ATOM 1140 CD1 LEU A 70 -6.620 -0.990 2.112 1.00 0.00 C ATOM 1141 CD2 LEU A 70 -7.583 0.680 3.694 1.00 0.00 C ATOM 0 H LEU A 70 -4.681 2.778 1.440 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.917 2.607 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.506 0.695 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.869 0.200 3.794 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.892 1.091 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.631 -1.261 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.939 -1.124 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.307 -1.628 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.582 0.390 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.289 0.073 4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.585 1.732 3.978 1.00 0.00 H new ATOM 1153 N ALA A 71 -2.622 2.366 3.809 1.00 0.00 N ATOM 1154 CA ALA A 71 -1.400 2.405 4.598 1.00 0.00 C ATOM 1155 C ALA A 71 -1.037 3.840 4.983 1.00 0.00 C ATOM 1156 O ALA A 71 -0.076 4.077 5.710 1.00 0.00 O ATOM 1157 CB ALA A 71 -0.266 1.741 3.837 1.00 0.00 C ATOM 0 H ALA A 71 -2.475 2.308 2.801 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.568 1.852 5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.644 1.776 4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.525 0.703 3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.101 2.267 2.897 1.00 0.00 H new ATOM 1163 N LYS A 72 -1.808 4.797 4.483 1.00 0.00 N ATOM 1164 CA LYS A 72 -1.626 6.196 4.853 1.00 0.00 C ATOM 1165 C LYS A 72 -2.755 6.639 5.785 1.00 0.00 C ATOM 1166 O LYS A 72 -2.843 7.805 6.174 1.00 0.00 O ATOM 1167 CB LYS A 72 -1.592 7.071 3.591 1.00 0.00 C ATOM 1168 CG LYS A 72 -1.170 8.517 3.826 1.00 0.00 C ATOM 1169 CD LYS A 72 -1.210 9.332 2.540 1.00 0.00 C ATOM 1170 CE LYS A 72 -0.218 8.811 1.507 1.00 0.00 C ATOM 1171 NZ LYS A 72 -0.265 9.591 0.240 1.00 0.00 N ATOM 0 H LYS A 72 -2.565 4.631 3.820 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.678 6.309 5.379 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.908 6.620 2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.582 7.066 3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.828 8.972 4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.162 8.539 4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.217 9.304 2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.987 10.375 2.764 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.790 8.852 1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.433 7.764 1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.665 9.555 -0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.984 9.184 -0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.508 10.580 0.450 1.00 0.00 H new ATOM 1185 N SER A 73 -3.612 5.696 6.153 1.00 0.00 N ATOM 1186 CA SER A 73 -4.768 6.002 6.981 1.00 0.00 C ATOM 1187 C SER A 73 -4.354 6.216 8.435 1.00 0.00 C ATOM 1188 O SER A 73 -3.263 5.809 8.844 1.00 0.00 O ATOM 1189 CB SER A 73 -5.794 4.868 6.899 1.00 0.00 C ATOM 1190 OG SER A 73 -5.302 3.686 7.512 1.00 0.00 O ATOM 0 H SER A 73 -3.528 4.714 5.891 1.00 0.00 H new ATOM 0 HA SER A 73 -5.217 6.922 6.607 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.719 5.175 7.386 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.035 4.666 5.855 1.00 0.00 H new ATOM 0 HG SER A 73 -4.915 3.100 6.829 1.00 0.00 H new ATOM 1196 N PRO A 74 -5.221 6.864 9.239 1.00 0.00 N ATOM 1197 CA PRO A 74 -4.988 7.045 10.677 1.00 0.00 C ATOM 1198 C PRO A 74 -4.711 5.724 11.392 1.00 0.00 C ATOM 1199 O PRO A 74 -3.968 5.683 12.368 1.00 0.00 O ATOM 1200 CB PRO A 74 -6.301 7.651 11.179 1.00 0.00 C ATOM 1201 CG PRO A 74 -6.883 8.329 9.989 1.00 0.00 C ATOM 1202 CD PRO A 74 -6.485 7.494 8.805 1.00 0.00 C ATOM 0 HA PRO A 74 -4.113 7.666 10.869 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.971 6.882 11.564 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.127 8.357 11.991 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -7.968 8.399 10.071 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.504 9.347 9.895 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.244 6.749 8.566 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.344 8.104 7.913 1.00 0.00 H new ATOM 1210 N LEU A 75 -5.297 4.645 10.882 1.00 0.00 N ATOM 1211 CA LEU A 75 -5.137 3.324 11.479 1.00 0.00 C ATOM 1212 C LEU A 75 -3.676 2.881 11.434 1.00 0.00 C ATOM 1213 O LEU A 75 -3.117 2.458 12.447 1.00 0.00 O ATOM 1214 CB LEU A 75 -6.018 2.302 10.751 1.00 0.00 C ATOM 1215 CG LEU A 75 -5.963 0.875 11.305 1.00 0.00 C ATOM 1216 CD1 LEU A 75 -6.462 0.836 12.741 1.00 0.00 C ATOM 1217 CD2 LEU A 75 -6.776 -0.067 10.431 1.00 0.00 C ATOM 0 H LEU A 75 -5.890 4.661 10.052 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.448 3.382 12.522 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.051 2.648 10.786 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.725 2.278 9.701 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.925 0.544 11.296 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.415 -0.187 13.115 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.837 1.479 13.361 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.493 1.188 12.778 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.726 -1.076 10.839 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.814 0.264 10.407 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.371 -0.064 9.419 1.00 0.00 H new ATOM 1229 N TYR A 76 -3.061 3.005 10.261 1.00 0.00 N ATOM 1230 CA TYR A 76 -1.671 2.602 10.075 1.00 0.00 C ATOM 1231 C TYR A 76 -0.736 3.629 10.707 1.00 0.00 C ATOM 1232 O TYR A 76 0.404 3.322 11.049 1.00 0.00 O ATOM 1233 CB TYR A 76 -1.359 2.440 8.580 1.00 0.00 C ATOM 1234 CG TYR A 76 -0.034 1.762 8.297 1.00 0.00 C ATOM 1235 CD1 TYR A 76 0.057 0.376 8.244 1.00 0.00 C ATOM 1236 CD2 TYR A 76 1.121 2.503 8.080 1.00 0.00 C ATOM 1237 CE1 TYR A 76 1.262 -0.251 7.985 1.00 0.00 C ATOM 1238 CE2 TYR A 76 2.329 1.885 7.819 1.00 0.00 C ATOM 1239 CZ TYR A 76 2.395 0.508 7.774 1.00 0.00 C ATOM 1240 OH TYR A 76 3.596 -0.115 7.512 1.00 0.00 O ATOM 0 H TYR A 76 -3.505 3.382 9.424 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.515 1.642 10.566 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.158 1.863 8.113 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.360 3.424 8.111 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.828 -0.221 8.408 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.074 3.581 8.116 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.316 -1.329 7.948 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.217 2.477 7.651 1.00 0.00 H new ATOM 0 HH TYR A 76 4.294 0.561 7.386 1.00 0.00 H new ATOM 1250 N ARG A 77 -1.228 4.852 10.853 1.00 0.00 N ATOM 1251 CA ARG A 77 -0.461 5.906 11.496 1.00 0.00 C ATOM 1252 C ARG A 77 -0.349 5.639 12.994 1.00 0.00 C ATOM 1253 O ARG A 77 0.632 6.018 13.636 1.00 0.00 O ATOM 1254 CB ARG A 77 -1.111 7.270 11.247 1.00 0.00 C ATOM 1255 CG ARG A 77 -0.291 8.436 11.772 1.00 0.00 C ATOM 1256 CD ARG A 77 -0.973 9.768 11.501 1.00 0.00 C ATOM 1257 NE ARG A 77 -1.238 9.968 10.075 1.00 0.00 N ATOM 1258 CZ ARG A 77 -0.565 10.820 9.305 1.00 0.00 C ATOM 1259 NH1 ARG A 77 0.418 11.552 9.814 1.00 0.00 N ATOM 1260 NH2 ARG A 77 -0.877 10.949 8.022 1.00 0.00 N ATOM 0 H ARG A 77 -2.154 5.137 10.535 1.00 0.00 H new ATOM 0 HA ARG A 77 0.541 5.917 11.066 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.268 7.399 10.176 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.094 7.286 11.717 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.135 8.318 12.844 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.693 8.429 11.304 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.911 9.814 12.054 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.345 10.579 11.870 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.984 9.421 9.645 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.662 11.463 10.801 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.930 12.203 9.219 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.634 10.394 7.623 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.359 11.603 7.435 1.00 0.00 H new ATOM 1274 N LYS A 78 -1.361 4.979 13.547 1.00 0.00 N ATOM 1275 CA LYS A 78 -1.372 4.648 14.965 1.00 0.00 C ATOM 1276 C LYS A 78 -0.716 3.295 15.211 1.00 0.00 C ATOM 1277 O LYS A 78 0.339 3.217 15.842 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.805 4.648 15.501 1.00 0.00 C ATOM 1279 CG LYS A 78 -3.503 5.993 15.371 1.00 0.00 C ATOM 1280 CD LYS A 78 -2.784 7.086 16.149 1.00 0.00 C ATOM 1281 CE LYS A 78 -2.864 6.855 17.650 1.00 0.00 C ATOM 1282 NZ LYS A 78 -4.270 6.820 18.128 1.00 0.00 N ATOM 0 H LYS A 78 -2.184 4.663 13.034 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.799 5.408 15.496 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.384 3.894 14.967 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.792 4.355 16.551 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.558 6.273 14.319 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.528 5.906 15.731 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.739 7.123 15.842 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.222 8.054 15.906 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.371 5.915 17.900 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.323 7.646 18.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.291 6.967 19.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.815 7.572 17.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.691 5.896 17.902 1.00 0.00 H new ATOM 1296 N GLN A 79 -1.323 2.233 14.691 1.00 0.00 N ATOM 1297 CA GLN A 79 -0.784 0.896 14.859 1.00 0.00 C ATOM 1298 C GLN A 79 0.475 0.736 14.022 1.00 0.00 C ATOM 1299 O GLN A 79 0.722 1.531 13.119 1.00 0.00 O ATOM 1300 CB GLN A 79 -1.825 -0.157 14.477 1.00 0.00 C ATOM 1301 CG GLN A 79 -3.117 -0.026 15.263 1.00 0.00 C ATOM 1302 CD GLN A 79 -4.084 -1.165 15.016 1.00 0.00 C ATOM 1303 OE1 GLN A 79 -4.109 -1.761 13.942 1.00 0.00 O ATOM 1304 NE2 GLN A 79 -4.891 -1.468 16.019 1.00 0.00 N ATOM 0 H GLN A 79 -2.187 2.276 14.151 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.527 0.750 15.908 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.044 -0.074 13.412 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.406 -1.150 14.640 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.884 0.020 16.327 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.600 0.915 15.001 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.836 -0.946 16.894 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.569 -2.223 15.918 1.00 0.00 H new ATOM 1313 N PHE A 80 1.264 -0.284 14.342 1.00 0.00 N ATOM 1314 CA PHE A 80 2.567 -0.522 13.707 1.00 0.00 C ATOM 1315 C PHE A 80 3.594 0.544 14.098 1.00 0.00 C ATOM 1316 O PHE A 80 4.655 0.223 14.627 1.00 0.00 O ATOM 1317 CB PHE A 80 2.447 -0.601 12.178 1.00 0.00 C ATOM 1318 CG PHE A 80 1.772 -1.849 11.683 1.00 0.00 C ATOM 1319 CD1 PHE A 80 2.500 -3.012 11.499 1.00 0.00 C ATOM 1320 CD2 PHE A 80 0.417 -1.857 11.394 1.00 0.00 C ATOM 1321 CE1 PHE A 80 1.890 -4.162 11.038 1.00 0.00 C ATOM 1322 CE2 PHE A 80 -0.199 -3.006 10.934 1.00 0.00 C ATOM 1323 CZ PHE A 80 0.540 -4.161 10.755 1.00 0.00 C ATOM 0 H PHE A 80 1.022 -0.975 15.052 1.00 0.00 H new ATOM 0 HA PHE A 80 2.919 -1.486 14.075 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.891 0.266 11.822 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.444 -0.542 11.742 1.00 0.00 H new ATOM 0 HD1 PHE A 80 3.557 -3.020 11.719 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -0.164 -0.957 11.529 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.470 -5.062 10.899 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.256 -3.002 10.715 1.00 0.00 H new ATOM 0 HZ PHE A 80 0.062 -5.060 10.395 1.00 0.00 H new ATOM 1333 N PHE A 81 3.264 1.804 13.854 1.00 0.00 N ATOM 1334 CA PHE A 81 4.190 2.905 14.087 1.00 0.00 C ATOM 1335 C PHE A 81 4.396 3.168 15.578 1.00 0.00 C ATOM 1336 O PHE A 81 5.514 3.424 16.018 1.00 0.00 O ATOM 1337 CB PHE A 81 3.678 4.169 13.394 1.00 0.00 C ATOM 1338 CG PHE A 81 4.599 5.352 13.521 1.00 0.00 C ATOM 1339 CD1 PHE A 81 5.803 5.392 12.834 1.00 0.00 C ATOM 1340 CD2 PHE A 81 4.259 6.427 14.328 1.00 0.00 C ATOM 1341 CE1 PHE A 81 6.648 6.480 12.949 1.00 0.00 C ATOM 1342 CE2 PHE A 81 5.100 7.517 14.445 1.00 0.00 C ATOM 1343 CZ PHE A 81 6.296 7.543 13.755 1.00 0.00 C ATOM 0 H PHE A 81 2.355 2.092 13.492 1.00 0.00 H new ATOM 0 HA PHE A 81 5.156 2.624 13.667 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.523 3.954 12.337 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.706 4.432 13.812 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.084 4.563 12.201 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.326 6.412 14.872 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.583 6.498 12.408 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.822 8.348 15.076 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.955 8.394 13.846 1.00 0.00 H new ATOM 1353 N GLU A 82 3.320 3.110 16.349 1.00 0.00 N ATOM 1354 CA GLU A 82 3.396 3.412 17.776 1.00 0.00 C ATOM 1355 C GLU A 82 3.858 2.205 18.606 1.00 0.00 C ATOM 1356 O GLU A 82 4.803 2.330 19.388 1.00 0.00 O ATOM 1357 CB GLU A 82 2.051 3.936 18.286 1.00 0.00 C ATOM 1358 CG GLU A 82 2.061 4.303 19.758 1.00 0.00 C ATOM 1359 CD GLU A 82 0.816 5.053 20.172 1.00 0.00 C ATOM 1360 OE1 GLU A 82 -0.223 4.406 20.410 1.00 0.00 O ATOM 1361 OE2 GLU A 82 0.879 6.298 20.265 1.00 0.00 O ATOM 0 H GLU A 82 2.389 2.859 16.016 1.00 0.00 H new ATOM 0 HA GLU A 82 4.149 4.190 17.900 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.768 4.813 17.703 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.287 3.178 18.114 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.151 3.396 20.355 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.938 4.914 19.972 1.00 0.00 H new ATOM 1368 N PRO A 83 3.211 1.023 18.470 1.00 0.00 N ATOM 1369 CA PRO A 83 3.582 -0.166 19.253 1.00 0.00 C ATOM 1370 C PRO A 83 4.983 -0.691 18.931 1.00 0.00 C ATOM 1371 O PRO A 83 5.506 -1.559 19.631 1.00 0.00 O ATOM 1372 CB PRO A 83 2.524 -1.207 18.871 1.00 0.00 C ATOM 1373 CG PRO A 83 1.987 -0.750 17.561 1.00 0.00 C ATOM 1374 CD PRO A 83 2.060 0.749 17.585 1.00 0.00 C ATOM 0 HA PRO A 83 3.611 0.064 20.318 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.961 -2.203 18.793 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.736 -1.263 19.622 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.572 -1.156 16.736 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.961 -1.089 17.420 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.214 1.160 16.587 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.141 1.190 17.973 1.00 0.00 H new ATOM 1382 N PHE A 84 5.586 -0.166 17.872 1.00 0.00 N ATOM 1383 CA PHE A 84 6.931 -0.567 17.482 1.00 0.00 C ATOM 1384 C PHE A 84 7.830 0.655 17.333 1.00 0.00 C ATOM 1385 O PHE A 84 7.428 1.778 17.637 1.00 0.00 O ATOM 1386 CB PHE A 84 6.906 -1.359 16.170 1.00 0.00 C ATOM 1387 CG PHE A 84 6.178 -2.673 16.258 1.00 0.00 C ATOM 1388 CD1 PHE A 84 6.826 -3.811 16.712 1.00 0.00 C ATOM 1389 CD2 PHE A 84 4.845 -2.770 15.888 1.00 0.00 C ATOM 1390 CE1 PHE A 84 6.159 -5.018 16.795 1.00 0.00 C ATOM 1391 CE2 PHE A 84 4.173 -3.976 15.968 1.00 0.00 C ATOM 1392 CZ PHE A 84 4.831 -5.101 16.423 1.00 0.00 C ATOM 0 H PHE A 84 5.164 0.539 17.268 1.00 0.00 H new ATOM 0 HA PHE A 84 7.331 -1.208 18.267 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.438 -0.748 15.398 1.00 0.00 H new ATOM 0 HB3 PHE A 84 7.932 -1.545 15.851 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.864 -3.754 17.004 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.325 -1.893 15.533 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.676 -5.897 17.151 1.00 0.00 H new ATOM 0 HE2 PHE A 84 3.135 -4.038 15.675 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.309 -6.044 16.488 1.00 0.00 H new ATOM 1402 N ILE A 85 9.049 0.426 16.874 1.00 0.00 N ATOM 1403 CA ILE A 85 9.991 1.506 16.637 1.00 0.00 C ATOM 1404 C ILE A 85 10.106 1.775 15.135 1.00 0.00 C ATOM 1405 O ILE A 85 9.830 0.885 14.323 1.00 0.00 O ATOM 1406 CB ILE A 85 11.383 1.176 17.241 1.00 0.00 C ATOM 1407 CG1 ILE A 85 12.341 2.370 17.121 1.00 0.00 C ATOM 1408 CG2 ILE A 85 11.986 -0.056 16.574 1.00 0.00 C ATOM 1409 CD1 ILE A 85 11.880 3.603 17.868 1.00 0.00 C ATOM 0 H ILE A 85 9.410 -0.503 16.657 1.00 0.00 H new ATOM 0 HA ILE A 85 9.619 2.404 17.131 1.00 0.00 H new ATOM 0 HB ILE A 85 11.239 0.962 18.300 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.322 2.076 17.495 1.00 0.00 H new ATOM 0 HG13 ILE A 85 12.464 2.620 16.067 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.961 -0.267 17.014 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.327 -0.911 16.725 1.00 0.00 H new ATOM 0 HG23 ILE A 85 12.102 0.129 15.506 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.609 4.403 17.735 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.914 3.924 17.479 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.785 3.371 18.929 1.00 0.00 H new ATOM 1421 N ASN A 86 10.503 2.994 14.779 1.00 0.00 N ATOM 1422 CA ASN A 86 10.624 3.414 13.381 1.00 0.00 C ATOM 1423 C ASN A 86 11.442 2.417 12.568 1.00 0.00 C ATOM 1424 O ASN A 86 11.055 2.035 11.466 1.00 0.00 O ATOM 1425 CB ASN A 86 11.281 4.797 13.287 1.00 0.00 C ATOM 1426 CG ASN A 86 10.445 5.902 13.911 1.00 0.00 C ATOM 1427 OD1 ASN A 86 9.674 5.672 14.840 1.00 0.00 O ATOM 1428 ND2 ASN A 86 10.607 7.118 13.411 1.00 0.00 N ATOM 0 H ASN A 86 10.751 3.721 15.450 1.00 0.00 H new ATOM 0 HA ASN A 86 9.616 3.459 12.970 1.00 0.00 H new ATOM 0 HB2 ASN A 86 12.253 4.764 13.779 1.00 0.00 H new ATOM 0 HB3 ASN A 86 11.462 5.035 12.239 1.00 0.00 H new ATOM 0 HD21 ASN A 86 10.082 7.903 13.798 1.00 0.00 H new ATOM 0 HD22 ASN A 86 11.257 7.270 12.639 1.00 0.00 H new ATOM 1435 N SER A 87 12.563 1.987 13.130 1.00 0.00 N ATOM 1436 CA SER A 87 13.458 1.052 12.460 1.00 0.00 C ATOM 1437 C SER A 87 12.774 -0.293 12.194 1.00 0.00 C ATOM 1438 O SER A 87 13.093 -0.978 11.224 1.00 0.00 O ATOM 1439 CB SER A 87 14.702 0.844 13.321 1.00 0.00 C ATOM 1440 OG SER A 87 15.231 2.090 13.743 1.00 0.00 O ATOM 0 H SER A 87 12.877 2.274 14.057 1.00 0.00 H new ATOM 0 HA SER A 87 13.737 1.475 11.495 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.452 0.236 14.190 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.455 0.296 12.755 1.00 0.00 H new ATOM 0 HG SER A 87 15.272 2.703 12.980 1.00 0.00 H new ATOM 1446 N ARG A 88 11.828 -0.661 13.049 1.00 0.00 N ATOM 1447 CA ARG A 88 11.131 -1.934 12.906 1.00 0.00 C ATOM 1448 C ARG A 88 10.024 -1.809 11.865 1.00 0.00 C ATOM 1449 O ARG A 88 9.841 -2.691 11.022 1.00 0.00 O ATOM 1450 CB ARG A 88 10.536 -2.371 14.246 1.00 0.00 C ATOM 1451 CG ARG A 88 10.135 -3.839 14.297 1.00 0.00 C ATOM 1452 CD ARG A 88 11.327 -4.740 14.600 1.00 0.00 C ATOM 1453 NE ARG A 88 12.362 -4.677 13.565 1.00 0.00 N ATOM 1454 CZ ARG A 88 13.643 -4.386 13.811 1.00 0.00 C ATOM 1455 NH1 ARG A 88 14.034 -4.070 15.039 1.00 0.00 N ATOM 1456 NH2 ARG A 88 14.531 -4.396 12.827 1.00 0.00 N ATOM 0 H ARG A 88 11.526 -0.099 13.845 1.00 0.00 H new ATOM 0 HA ARG A 88 11.848 -2.687 12.578 1.00 0.00 H new ATOM 0 HB2 ARG A 88 11.262 -2.176 15.035 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.660 -1.758 14.460 1.00 0.00 H new ATOM 0 HG2 ARG A 88 9.369 -3.981 15.059 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.693 -4.129 13.344 1.00 0.00 H new ATOM 0 HD2 ARG A 88 11.760 -4.453 15.558 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.983 -5.769 14.701 1.00 0.00 H new ATOM 0 HE ARG A 88 12.089 -4.866 12.601 1.00 0.00 H new ATOM 0 HH11 ARG A 88 13.356 -4.048 15.800 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.013 -3.849 15.221 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.238 -4.626 11.878 1.00 0.00 H new ATOM 0 HH22 ARG A 88 15.508 -4.173 13.019 1.00 0.00 H new ATOM 1470 N ALA A 89 9.297 -0.697 11.929 1.00 0.00 N ATOM 1471 CA ALA A 89 8.210 -0.427 10.994 1.00 0.00 C ATOM 1472 C ALA A 89 8.750 -0.241 9.583 1.00 0.00 C ATOM 1473 O ALA A 89 8.065 -0.530 8.601 1.00 0.00 O ATOM 1474 CB ALA A 89 7.427 0.801 11.432 1.00 0.00 C ATOM 0 H ALA A 89 9.443 0.036 12.623 1.00 0.00 H new ATOM 0 HA ALA A 89 7.537 -1.284 10.992 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.620 0.989 10.724 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.008 0.631 12.424 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.092 1.664 11.462 1.00 0.00 H new ATOM 1480 N LEU A 90 9.986 0.232 9.498 1.00 0.00 N ATOM 1481 CA LEU A 90 10.663 0.413 8.221 1.00 0.00 C ATOM 1482 C LEU A 90 10.714 -0.903 7.447 1.00 0.00 C ATOM 1483 O LEU A 90 10.273 -0.978 6.298 1.00 0.00 O ATOM 1484 CB LEU A 90 12.079 0.942 8.458 1.00 0.00 C ATOM 1485 CG LEU A 90 12.879 1.278 7.197 1.00 0.00 C ATOM 1486 CD1 LEU A 90 12.220 2.412 6.431 1.00 0.00 C ATOM 1487 CD2 LEU A 90 14.309 1.643 7.559 1.00 0.00 C ATOM 0 H LEU A 90 10.545 0.500 10.308 1.00 0.00 H new ATOM 0 HA LEU A 90 10.104 1.137 7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.014 1.838 9.075 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.634 0.199 9.032 1.00 0.00 H new ATOM 0 HG LEU A 90 12.897 0.396 6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.804 2.636 5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.212 2.117 6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.171 3.298 7.064 1.00 0.00 H new ATOM 0 HD21 LEU A 90 14.865 1.879 6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.307 2.510 8.220 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.782 0.802 8.066 1.00 0.00 H new ATOM 1499 N GLU A 91 11.232 -1.948 8.089 1.00 0.00 N ATOM 1500 CA GLU A 91 11.334 -3.260 7.458 1.00 0.00 C ATOM 1501 C GLU A 91 9.951 -3.862 7.222 1.00 0.00 C ATOM 1502 O GLU A 91 9.755 -4.647 6.291 1.00 0.00 O ATOM 1503 CB GLU A 91 12.173 -4.211 8.311 1.00 0.00 C ATOM 1504 CG GLU A 91 13.613 -3.764 8.497 1.00 0.00 C ATOM 1505 CD GLU A 91 14.453 -4.813 9.192 1.00 0.00 C ATOM 1506 OE1 GLU A 91 14.154 -5.143 10.358 1.00 0.00 O ATOM 1507 OE2 GLU A 91 15.408 -5.326 8.570 1.00 0.00 O ATOM 0 H GLU A 91 11.587 -1.911 9.045 1.00 0.00 H new ATOM 0 HA GLU A 91 11.826 -3.125 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.705 -4.313 9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.166 -5.199 7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.050 -3.538 7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.633 -2.842 9.078 1.00 0.00 H new ATOM 1514 N LEU A 92 8.996 -3.503 8.073 1.00 0.00 N ATOM 1515 CA LEU A 92 7.622 -3.950 7.898 1.00 0.00 C ATOM 1516 C LEU A 92 7.059 -3.401 6.597 1.00 0.00 C ATOM 1517 O LEU A 92 6.455 -4.136 5.815 1.00 0.00 O ATOM 1518 CB LEU A 92 6.750 -3.513 9.080 1.00 0.00 C ATOM 1519 CG LEU A 92 7.047 -4.221 10.404 1.00 0.00 C ATOM 1520 CD1 LEU A 92 6.220 -3.615 11.528 1.00 0.00 C ATOM 1521 CD2 LEU A 92 6.759 -5.711 10.284 1.00 0.00 C ATOM 0 H LEU A 92 9.148 -2.907 8.886 1.00 0.00 H new ATOM 0 HA LEU A 92 7.617 -5.039 7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.873 -2.440 9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.705 -3.682 8.822 1.00 0.00 H new ATOM 0 HG LEU A 92 8.103 -4.087 10.638 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.443 -4.130 12.462 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.463 -2.557 11.629 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.160 -3.723 11.299 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.975 -6.201 11.233 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.710 -5.859 10.030 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.386 -6.141 9.503 1.00 0.00 H new ATOM 1533 N ALA A 93 7.293 -2.115 6.360 1.00 0.00 N ATOM 1534 CA ALA A 93 6.845 -1.463 5.137 1.00 0.00 C ATOM 1535 C ALA A 93 7.491 -2.101 3.912 1.00 0.00 C ATOM 1536 O ALA A 93 6.800 -2.472 2.965 1.00 0.00 O ATOM 1537 CB ALA A 93 7.156 0.026 5.189 1.00 0.00 C ATOM 0 H ALA A 93 7.793 -1.501 7.003 1.00 0.00 H new ATOM 0 HA ALA A 93 5.766 -1.592 5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.816 0.501 4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.644 0.475 6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.231 0.170 5.296 1.00 0.00 H new ATOM 1543 N PHE A 94 8.816 -2.240 3.948 1.00 0.00 N ATOM 1544 CA PHE A 94 9.553 -2.873 2.852 1.00 0.00 C ATOM 1545 C PHE A 94 8.955 -4.225 2.487 1.00 0.00 C ATOM 1546 O PHE A 94 8.500 -4.433 1.362 1.00 0.00 O ATOM 1547 CB PHE A 94 11.027 -3.072 3.218 1.00 0.00 C ATOM 1548 CG PHE A 94 11.883 -1.855 3.026 1.00 0.00 C ATOM 1549 CD1 PHE A 94 12.165 -1.389 1.752 1.00 0.00 C ATOM 1550 CD2 PHE A 94 12.415 -1.184 4.115 1.00 0.00 C ATOM 1551 CE1 PHE A 94 12.961 -0.275 1.569 1.00 0.00 C ATOM 1552 CE2 PHE A 94 13.214 -0.071 3.936 1.00 0.00 C ATOM 1553 CZ PHE A 94 13.486 0.385 2.662 1.00 0.00 C ATOM 0 H PHE A 94 9.401 -1.924 4.722 1.00 0.00 H new ATOM 0 HA PHE A 94 9.477 -2.202 1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 94 11.091 -3.385 4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 94 11.432 -3.885 2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 94 11.758 -1.902 0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 94 12.203 -1.534 5.114 1.00 0.00 H new ATOM 0 HE1 PHE A 94 13.173 0.080 0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 94 13.626 0.442 4.793 1.00 0.00 H new ATOM 0 HZ PHE A 94 14.108 1.256 2.520 1.00 0.00 H new ATOM 1563 N ARG A 95 8.932 -5.131 3.457 1.00 0.00 N ATOM 1564 CA ARG A 95 8.523 -6.506 3.208 1.00 0.00 C ATOM 1565 C ARG A 95 7.060 -6.604 2.808 1.00 0.00 C ATOM 1566 O ARG A 95 6.716 -7.347 1.895 1.00 0.00 O ATOM 1567 CB ARG A 95 8.776 -7.371 4.441 1.00 0.00 C ATOM 1568 CG ARG A 95 10.247 -7.642 4.705 1.00 0.00 C ATOM 1569 CD ARG A 95 10.445 -8.346 6.035 1.00 0.00 C ATOM 1570 NE ARG A 95 10.045 -7.496 7.156 1.00 0.00 N ATOM 1571 CZ ARG A 95 10.523 -7.610 8.394 1.00 0.00 C ATOM 1572 NH1 ARG A 95 11.425 -8.544 8.682 1.00 0.00 N ATOM 1573 NH2 ARG A 95 10.105 -6.784 9.345 1.00 0.00 N ATOM 0 H ARG A 95 9.192 -4.937 4.424 1.00 0.00 H new ATOM 0 HA ARG A 95 9.124 -6.871 2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.344 -6.880 5.313 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.256 -8.322 4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.657 -8.254 3.902 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.799 -6.702 4.702 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.863 -9.268 6.050 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.492 -8.628 6.146 1.00 0.00 H new ATOM 0 HE ARG A 95 9.354 -6.767 6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.754 -9.177 7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.788 -8.627 9.632 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.418 -6.062 9.128 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.471 -6.871 10.293 1.00 0.00 H new ATOM 1587 N HIS A 96 6.202 -5.846 3.472 1.00 0.00 N ATOM 1588 CA HIS A 96 4.767 -6.014 3.288 1.00 0.00 C ATOM 1589 C HIS A 96 4.268 -5.314 2.026 1.00 0.00 C ATOM 1590 O HIS A 96 3.304 -5.762 1.410 1.00 0.00 O ATOM 1591 CB HIS A 96 4.000 -5.500 4.508 1.00 0.00 C ATOM 1592 CG HIS A 96 2.658 -6.143 4.675 1.00 0.00 C ATOM 1593 ND1 HIS A 96 2.373 -7.034 5.686 1.00 0.00 N ATOM 1594 CD2 HIS A 96 1.526 -6.044 3.938 1.00 0.00 C ATOM 1595 CE1 HIS A 96 1.133 -7.455 5.561 1.00 0.00 C ATOM 1596 NE2 HIS A 96 0.596 -6.874 4.509 1.00 0.00 N ATOM 0 H HIS A 96 6.468 -5.118 4.135 1.00 0.00 H new ATOM 0 HA HIS A 96 4.582 -7.082 3.174 1.00 0.00 H new ATOM 0 HB2 HIS A 96 4.595 -5.677 5.404 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.870 -4.421 4.420 1.00 0.00 H new ATOM 0 HD2 HIS A 96 1.383 -5.426 3.064 1.00 0.00 H new ATOM 0 HE1 HIS A 96 0.638 -8.160 6.213 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -0.356 -7.018 4.173 1.00 0.00 H new ATOM 1605 N ILE A 97 4.912 -4.220 1.646 1.00 0.00 N ATOM 1606 CA ILE A 97 4.474 -3.456 0.482 1.00 0.00 C ATOM 1607 C ILE A 97 5.127 -3.971 -0.799 1.00 0.00 C ATOM 1608 O ILE A 97 4.463 -4.126 -1.822 1.00 0.00 O ATOM 1609 CB ILE A 97 4.766 -1.948 0.647 1.00 0.00 C ATOM 1610 CG1 ILE A 97 4.001 -1.393 1.852 1.00 0.00 C ATOM 1611 CG2 ILE A 97 4.398 -1.182 -0.622 1.00 0.00 C ATOM 1612 CD1 ILE A 97 4.278 0.069 2.136 1.00 0.00 C ATOM 0 H ILE A 97 5.732 -3.842 2.120 1.00 0.00 H new ATOM 0 HA ILE A 97 3.395 -3.592 0.405 1.00 0.00 H new ATOM 0 HB ILE A 97 5.834 -1.819 0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.932 -1.524 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.258 -1.979 2.734 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.612 -0.122 -0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.982 -1.563 -1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.336 -1.313 -0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.699 0.387 3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.340 0.205 2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.994 0.668 1.271 1.00 0.00 H new ATOM 1624 N LEU A 98 6.421 -4.250 -0.737 1.00 0.00 N ATOM 1625 CA LEU A 98 7.161 -4.678 -1.920 1.00 0.00 C ATOM 1626 C LEU A 98 7.068 -6.187 -2.113 1.00 0.00 C ATOM 1627 O LEU A 98 7.364 -6.699 -3.191 1.00 0.00 O ATOM 1628 CB LEU A 98 8.629 -4.261 -1.817 1.00 0.00 C ATOM 1629 CG LEU A 98 8.873 -2.759 -1.670 1.00 0.00 C ATOM 1630 CD1 LEU A 98 10.359 -2.472 -1.557 1.00 0.00 C ATOM 1631 CD2 LEU A 98 8.269 -1.998 -2.842 1.00 0.00 C ATOM 0 H LEU A 98 6.980 -4.189 0.114 1.00 0.00 H new ATOM 0 HA LEU A 98 6.710 -4.190 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.075 -4.770 -0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.153 -4.612 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 98 8.385 -2.420 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 98 10.515 -1.398 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.763 -2.984 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 98 10.867 -2.828 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.454 -0.931 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.725 -2.339 -3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.195 -2.178 -2.878 1.00 0.00 H new ATOM 1643 N GLY A 99 6.665 -6.895 -1.061 1.00 0.00 N ATOM 1644 CA GLY A 99 6.569 -8.342 -1.133 1.00 0.00 C ATOM 1645 C GLY A 99 7.932 -9.009 -1.080 1.00 0.00 C ATOM 1646 O GLY A 99 8.075 -10.190 -1.403 1.00 0.00 O ATOM 0 H GLY A 99 6.404 -6.492 -0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.956 -8.706 -0.308 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.063 -8.626 -2.056 1.00 0.00 H new ATOM 1650 N ARG A 100 8.927 -8.242 -0.664 1.00 0.00 N ATOM 1651 CA ARG A 100 10.301 -8.718 -0.593 1.00 0.00 C ATOM 1652 C ARG A 100 11.007 -8.049 0.580 1.00 0.00 C ATOM 1653 O ARG A 100 10.605 -6.971 1.014 1.00 0.00 O ATOM 1654 CB ARG A 100 11.047 -8.395 -1.893 1.00 0.00 C ATOM 1655 CG ARG A 100 12.406 -9.071 -2.007 1.00 0.00 C ATOM 1656 CD ARG A 100 13.300 -8.363 -3.009 1.00 0.00 C ATOM 1657 NE ARG A 100 13.676 -7.023 -2.550 1.00 0.00 N ATOM 1658 CZ ARG A 100 13.971 -6.012 -3.366 1.00 0.00 C ATOM 1659 NH1 ARG A 100 13.957 -6.191 -4.682 1.00 0.00 N ATOM 1660 NH2 ARG A 100 14.280 -4.820 -2.871 1.00 0.00 N ATOM 0 H ARG A 100 8.806 -7.274 -0.366 1.00 0.00 H new ATOM 0 HA ARG A 100 10.294 -9.799 -0.453 1.00 0.00 H new ATOM 0 HB2 ARG A 100 10.430 -8.696 -2.739 1.00 0.00 H new ATOM 0 HB3 ARG A 100 11.182 -7.316 -1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.890 -9.082 -1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 100 12.272 -10.110 -2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.199 -8.956 -3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.785 -8.288 -3.967 1.00 0.00 H new ATOM 0 HE ARG A 100 13.714 -6.854 -1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 100 13.720 -7.104 -5.070 1.00 0.00 H new ATOM 0 HH12 ARG A 100 14.183 -5.415 -5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.292 -4.675 -1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 100 14.505 -4.049 -3.500 1.00 0.00 H new ATOM 1674 N GLY A 101 12.053 -8.680 1.088 1.00 0.00 N ATOM 1675 CA GLY A 101 12.810 -8.090 2.170 1.00 0.00 C ATOM 1676 C GLY A 101 13.824 -7.081 1.668 1.00 0.00 C ATOM 1677 O GLY A 101 14.175 -7.091 0.482 1.00 0.00 O ATOM 0 H GLY A 101 12.391 -9.589 0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.128 -7.603 2.867 1.00 0.00 H new ATOM 0 HA3 GLY A 101 13.324 -8.876 2.724 1.00 0.00 H new ATOM 1681 N PRO A 102 14.292 -6.177 2.541 1.00 0.00 N ATOM 1682 CA PRO A 102 15.337 -5.212 2.195 1.00 0.00 C ATOM 1683 C PRO A 102 16.644 -5.907 1.821 1.00 0.00 C ATOM 1684 O PRO A 102 17.147 -6.757 2.562 1.00 0.00 O ATOM 1685 CB PRO A 102 15.508 -4.371 3.466 1.00 0.00 C ATOM 1686 CG PRO A 102 14.892 -5.173 4.562 1.00 0.00 C ATOM 1687 CD PRO A 102 13.824 -6.015 3.926 1.00 0.00 C ATOM 0 HA PRO A 102 15.068 -4.612 1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 102 16.561 -4.175 3.668 1.00 0.00 H new ATOM 0 HB3 PRO A 102 15.017 -3.403 3.365 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.639 -5.798 5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.469 -4.523 5.328 1.00 0.00 H new ATOM 0 HD2 PRO A 102 13.719 -6.976 4.429 1.00 0.00 H new ATOM 0 HD3 PRO A 102 12.851 -5.526 3.966 1.00 0.00 H new ATOM 1695 N SER A 103 17.186 -5.536 0.674 1.00 0.00 N ATOM 1696 CA SER A 103 18.344 -6.207 0.109 1.00 0.00 C ATOM 1697 C SER A 103 19.624 -5.407 0.336 1.00 0.00 C ATOM 1698 O SER A 103 20.663 -5.969 0.689 1.00 0.00 O ATOM 1699 CB SER A 103 18.108 -6.429 -1.388 1.00 0.00 C ATOM 1700 OG SER A 103 17.488 -5.290 -1.973 1.00 0.00 O ATOM 0 H SER A 103 16.836 -4.762 0.109 1.00 0.00 H new ATOM 0 HA SER A 103 18.472 -7.166 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 103 19.057 -6.628 -1.885 1.00 0.00 H new ATOM 0 HB3 SER A 103 17.480 -7.307 -1.536 1.00 0.00 H new ATOM 0 HG SER A 103 17.347 -5.450 -2.930 1.00 0.00 H new ATOM 1706 N SER A 104 19.543 -4.097 0.151 1.00 0.00 N ATOM 1707 CA SER A 104 20.716 -3.242 0.237 1.00 0.00 C ATOM 1708 C SER A 104 20.678 -2.377 1.493 1.00 0.00 C ATOM 1709 O SER A 104 19.640 -1.813 1.842 1.00 0.00 O ATOM 1710 CB SER A 104 20.806 -2.370 -1.015 1.00 0.00 C ATOM 1711 OG SER A 104 20.864 -3.174 -2.183 1.00 0.00 O ATOM 0 H SER A 104 18.676 -3.604 -0.060 1.00 0.00 H new ATOM 0 HA SER A 104 21.603 -3.873 0.300 1.00 0.00 H new ATOM 0 HB2 SER A 104 19.942 -1.708 -1.066 1.00 0.00 H new ATOM 0 HB3 SER A 104 21.691 -1.736 -0.960 1.00 0.00 H new ATOM 0 HG SER A 104 20.920 -2.598 -2.974 1.00 0.00 H new ATOM 1717 N ARG A 105 21.823 -2.272 2.163 1.00 0.00 N ATOM 1718 CA ARG A 105 21.911 -1.544 3.427 1.00 0.00 C ATOM 1719 C ARG A 105 21.649 -0.046 3.244 1.00 0.00 C ATOM 1720 O ARG A 105 20.952 0.569 4.052 1.00 0.00 O ATOM 1721 CB ARG A 105 23.276 -1.771 4.088 1.00 0.00 C ATOM 1722 CG ARG A 105 24.467 -1.350 3.237 1.00 0.00 C ATOM 1723 CD ARG A 105 25.765 -1.442 4.022 1.00 0.00 C ATOM 1724 NE ARG A 105 25.710 -0.638 5.241 1.00 0.00 N ATOM 1725 CZ ARG A 105 26.362 -0.936 6.365 1.00 0.00 C ATOM 1726 NH1 ARG A 105 27.219 -1.950 6.390 1.00 0.00 N ATOM 1727 NH2 ARG A 105 26.182 -0.197 7.453 1.00 0.00 N ATOM 0 H ARG A 105 22.704 -2.682 1.852 1.00 0.00 H new ATOM 0 HA ARG A 105 21.132 -1.936 4.081 1.00 0.00 H new ATOM 0 HB2 ARG A 105 23.306 -1.222 5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 105 23.376 -2.828 4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 105 24.528 -1.985 2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 105 24.323 -0.328 2.886 1.00 0.00 H new ATOM 0 HD2 ARG A 105 25.963 -2.482 4.279 1.00 0.00 H new ATOM 0 HD3 ARG A 105 26.593 -1.105 3.399 1.00 0.00 H new ATOM 0 HE ARG A 105 25.136 0.205 5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 105 27.380 -2.503 5.548 1.00 0.00 H new ATOM 0 HH12 ARG A 105 27.717 -2.176 7.251 1.00 0.00 H new ATOM 0 HH21 ARG A 105 25.545 0.599 7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 105 26.681 -0.425 8.313 1.00 0.00 H new ATOM 1741 N GLU A 106 22.186 0.542 2.176 1.00 0.00 N ATOM 1742 CA GLU A 106 22.011 1.973 1.936 1.00 0.00 C ATOM 1743 C GLU A 106 20.583 2.272 1.511 1.00 0.00 C ATOM 1744 O GLU A 106 20.104 3.396 1.656 1.00 0.00 O ATOM 1745 CB GLU A 106 22.990 2.485 0.878 1.00 0.00 C ATOM 1746 CG GLU A 106 24.445 2.331 1.281 1.00 0.00 C ATOM 1747 CD GLU A 106 24.711 2.831 2.687 1.00 0.00 C ATOM 1748 OE1 GLU A 106 24.734 4.063 2.896 1.00 0.00 O ATOM 1749 OE2 GLU A 106 24.890 1.987 3.588 1.00 0.00 O ATOM 0 H GLU A 106 22.740 0.056 1.471 1.00 0.00 H new ATOM 0 HA GLU A 106 22.220 2.492 2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 106 22.820 1.947 -0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 106 22.784 3.537 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 106 24.729 1.281 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.074 2.878 0.579 1.00 0.00 H new ATOM 1756 N GLU A 107 19.911 1.259 0.988 1.00 0.00 N ATOM 1757 CA GLU A 107 18.516 1.387 0.615 1.00 0.00 C ATOM 1758 C GLU A 107 17.673 1.566 1.873 1.00 0.00 C ATOM 1759 O GLU A 107 16.824 2.454 1.951 1.00 0.00 O ATOM 1760 CB GLU A 107 18.057 0.149 -0.157 1.00 0.00 C ATOM 1761 CG GLU A 107 16.763 0.359 -0.917 1.00 0.00 C ATOM 1762 CD GLU A 107 16.924 1.351 -2.048 1.00 0.00 C ATOM 1763 OE1 GLU A 107 16.956 2.567 -1.780 1.00 0.00 O ATOM 1764 OE2 GLU A 107 17.029 0.915 -3.213 1.00 0.00 O ATOM 0 H GLU A 107 20.312 0.338 0.813 1.00 0.00 H new ATOM 0 HA GLU A 107 18.394 2.258 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 107 18.838 -0.143 -0.859 1.00 0.00 H new ATOM 0 HB3 GLU A 107 17.930 -0.679 0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.419 -0.595 -1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 107 15.993 0.713 -0.231 1.00 0.00 H new ATOM 1771 N VAL A 108 17.949 0.727 2.865 1.00 0.00 N ATOM 1772 CA VAL A 108 17.269 0.795 4.151 1.00 0.00 C ATOM 1773 C VAL A 108 17.484 2.162 4.796 1.00 0.00 C ATOM 1774 O VAL A 108 16.534 2.817 5.228 1.00 0.00 O ATOM 1775 CB VAL A 108 17.776 -0.305 5.111 1.00 0.00 C ATOM 1776 CG1 VAL A 108 17.007 -0.280 6.421 1.00 0.00 C ATOM 1777 CG2 VAL A 108 17.674 -1.676 4.461 1.00 0.00 C ATOM 0 H VAL A 108 18.646 -0.015 2.801 1.00 0.00 H new ATOM 0 HA VAL A 108 16.206 0.639 3.969 1.00 0.00 H new ATOM 0 HB VAL A 108 18.825 -0.103 5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 108 17.383 -1.064 7.079 1.00 0.00 H new ATOM 0 HG12 VAL A 108 17.137 0.690 6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 108 15.948 -0.448 6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 108 18.036 -2.435 5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 108 16.634 -1.882 4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 108 18.279 -1.695 3.554 1.00 0.00 H new ATOM 1787 N GLN A 109 18.738 2.596 4.829 1.00 0.00 N ATOM 1788 CA GLN A 109 19.089 3.866 5.447 1.00 0.00 C ATOM 1789 C GLN A 109 18.502 5.047 4.674 1.00 0.00 C ATOM 1790 O GLN A 109 18.245 6.104 5.254 1.00 0.00 O ATOM 1791 CB GLN A 109 20.609 4.008 5.571 1.00 0.00 C ATOM 1792 CG GLN A 109 21.252 2.930 6.433 1.00 0.00 C ATOM 1793 CD GLN A 109 22.700 3.231 6.768 1.00 0.00 C ATOM 1794 OE1 GLN A 109 22.998 3.852 7.789 1.00 0.00 O ATOM 1795 NE2 GLN A 109 23.609 2.798 5.916 1.00 0.00 N ATOM 0 H GLN A 109 19.528 2.086 4.434 1.00 0.00 H new ATOM 0 HA GLN A 109 18.656 3.875 6.447 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.051 3.977 4.575 1.00 0.00 H new ATOM 0 HB3 GLN A 109 20.841 4.986 5.993 1.00 0.00 H new ATOM 0 HG2 GLN A 109 20.684 2.824 7.358 1.00 0.00 H new ATOM 0 HG3 GLN A 109 21.195 1.974 5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 109 23.323 2.287 5.081 1.00 0.00 H new ATOM 0 HE22 GLN A 109 24.598 2.974 6.092 1.00 0.00 H new ATOM 1804 N LYS A 110 18.282 4.872 3.372 1.00 0.00 N ATOM 1805 CA LYS A 110 17.640 5.908 2.568 1.00 0.00 C ATOM 1806 C LYS A 110 16.229 6.162 3.076 1.00 0.00 C ATOM 1807 O LYS A 110 15.887 7.270 3.483 1.00 0.00 O ATOM 1808 CB LYS A 110 17.561 5.512 1.090 1.00 0.00 C ATOM 1809 CG LYS A 110 16.858 6.560 0.234 1.00 0.00 C ATOM 1810 CD LYS A 110 16.285 5.981 -1.057 1.00 0.00 C ATOM 1811 CE LYS A 110 17.325 5.856 -2.158 1.00 0.00 C ATOM 1812 NZ LYS A 110 18.322 4.792 -1.880 1.00 0.00 N ATOM 0 H LYS A 110 18.537 4.030 2.856 1.00 0.00 H new ATOM 0 HA LYS A 110 18.247 6.809 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 110 18.569 5.353 0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 110 17.033 4.563 1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 110 16.053 7.014 0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 110 17.563 7.355 -0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 110 15.860 4.999 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 110 15.469 6.615 -1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 110 16.825 5.643 -3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 110 17.840 6.809 -2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 18.714 4.441 -2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 19.090 5.180 -1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 17.862 4.009 -1.373 1.00 0.00 H new ATOM 1826 N TYR A 111 15.420 5.112 3.070 1.00 0.00 N ATOM 1827 CA TYR A 111 14.022 5.223 3.450 1.00 0.00 C ATOM 1828 C TYR A 111 13.877 5.520 4.938 1.00 0.00 C ATOM 1829 O TYR A 111 12.858 6.050 5.373 1.00 0.00 O ATOM 1830 CB TYR A 111 13.269 3.948 3.070 1.00 0.00 C ATOM 1831 CG TYR A 111 13.111 3.768 1.574 1.00 0.00 C ATOM 1832 CD1 TYR A 111 14.124 3.201 0.810 1.00 0.00 C ATOM 1833 CD2 TYR A 111 11.948 4.162 0.923 1.00 0.00 C ATOM 1834 CE1 TYR A 111 13.985 3.032 -0.553 1.00 0.00 C ATOM 1835 CE2 TYR A 111 11.800 3.996 -0.442 1.00 0.00 C ATOM 1836 CZ TYR A 111 12.822 3.432 -1.175 1.00 0.00 C ATOM 1837 OH TYR A 111 12.679 3.260 -2.535 1.00 0.00 O ATOM 0 H TYR A 111 15.711 4.171 2.805 1.00 0.00 H new ATOM 0 HA TYR A 111 13.584 6.059 2.905 1.00 0.00 H new ATOM 0 HB2 TYR A 111 13.798 3.087 3.479 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.282 3.965 3.533 1.00 0.00 H new ATOM 0 HD1 TYR A 111 15.038 2.886 1.292 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.145 4.606 1.493 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.784 2.589 -1.129 1.00 0.00 H new ATOM 0 HE2 TYR A 111 10.889 4.307 -0.931 1.00 0.00 H new ATOM 0 HH TYR A 111 11.801 3.593 -2.816 1.00 0.00 H new ATOM 1847 N PHE A 112 14.901 5.191 5.712 1.00 0.00 N ATOM 1848 CA PHE A 112 14.921 5.536 7.125 1.00 0.00 C ATOM 1849 C PHE A 112 14.985 7.053 7.285 1.00 0.00 C ATOM 1850 O PHE A 112 14.291 7.635 8.116 1.00 0.00 O ATOM 1851 CB PHE A 112 16.109 4.874 7.830 1.00 0.00 C ATOM 1852 CG PHE A 112 16.103 5.058 9.322 1.00 0.00 C ATOM 1853 CD1 PHE A 112 15.191 4.375 10.112 1.00 0.00 C ATOM 1854 CD2 PHE A 112 17.002 5.918 9.933 1.00 0.00 C ATOM 1855 CE1 PHE A 112 15.176 4.548 11.482 1.00 0.00 C ATOM 1856 CE2 PHE A 112 16.991 6.096 11.304 1.00 0.00 C ATOM 1857 CZ PHE A 112 16.075 5.409 12.079 1.00 0.00 C ATOM 0 H PHE A 112 15.726 4.687 5.386 1.00 0.00 H new ATOM 0 HA PHE A 112 14.006 5.167 7.588 1.00 0.00 H new ATOM 0 HB2 PHE A 112 16.107 3.808 7.604 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.035 5.283 7.426 1.00 0.00 H new ATOM 0 HD1 PHE A 112 14.485 3.700 9.651 1.00 0.00 H new ATOM 0 HD2 PHE A 112 17.720 6.455 9.331 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.461 4.010 12.086 1.00 0.00 H new ATOM 0 HE2 PHE A 112 17.696 6.770 11.768 1.00 0.00 H new ATOM 0 HZ PHE A 112 16.063 5.546 13.150 1.00 0.00 H new ATOM 1867 N SER A 113 15.808 7.696 6.469 1.00 0.00 N ATOM 1868 CA SER A 113 15.889 9.146 6.478 1.00 0.00 C ATOM 1869 C SER A 113 14.576 9.735 5.967 1.00 0.00 C ATOM 1870 O SER A 113 14.098 10.750 6.475 1.00 0.00 O ATOM 1871 CB SER A 113 17.063 9.620 5.619 1.00 0.00 C ATOM 1872 OG SER A 113 17.238 11.025 5.710 1.00 0.00 O ATOM 0 H SER A 113 16.424 7.239 5.797 1.00 0.00 H new ATOM 0 HA SER A 113 16.057 9.489 7.499 1.00 0.00 H new ATOM 0 HB2 SER A 113 17.976 9.117 5.938 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.892 9.340 4.580 1.00 0.00 H new ATOM 0 HG SER A 113 17.996 11.297 5.152 1.00 0.00 H new ATOM 1878 N ILE A 114 13.986 9.067 4.981 1.00 0.00 N ATOM 1879 CA ILE A 114 12.713 9.490 4.406 1.00 0.00 C ATOM 1880 C ILE A 114 11.600 9.461 5.452 1.00 0.00 C ATOM 1881 O ILE A 114 10.864 10.431 5.609 1.00 0.00 O ATOM 1882 CB ILE A 114 12.312 8.601 3.208 1.00 0.00 C ATOM 1883 CG1 ILE A 114 13.380 8.674 2.116 1.00 0.00 C ATOM 1884 CG2 ILE A 114 10.956 9.021 2.656 1.00 0.00 C ATOM 1885 CD1 ILE A 114 13.121 7.740 0.953 1.00 0.00 C ATOM 0 H ILE A 114 14.373 8.223 4.560 1.00 0.00 H new ATOM 0 HA ILE A 114 12.847 10.513 4.055 1.00 0.00 H new ATOM 0 HB ILE A 114 12.234 7.570 3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 114 13.438 9.697 1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 114 14.351 8.438 2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 114 10.693 8.382 1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.200 8.924 3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 114 11.004 10.058 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.918 7.845 0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 114 13.092 6.711 1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.166 7.990 0.491 1.00 0.00 H new ATOM 1897 N VAL A 115 11.492 8.355 6.180 1.00 0.00 N ATOM 1898 CA VAL A 115 10.449 8.214 7.193 1.00 0.00 C ATOM 1899 C VAL A 115 10.693 9.175 8.363 1.00 0.00 C ATOM 1900 O VAL A 115 9.770 9.527 9.092 1.00 0.00 O ATOM 1901 CB VAL A 115 10.331 6.754 7.709 1.00 0.00 C ATOM 1902 CG1 VAL A 115 11.550 6.346 8.521 1.00 0.00 C ATOM 1903 CG2 VAL A 115 9.061 6.567 8.524 1.00 0.00 C ATOM 0 H VAL A 115 12.109 7.547 6.090 1.00 0.00 H new ATOM 0 HA VAL A 115 9.503 8.471 6.716 1.00 0.00 H new ATOM 0 HB VAL A 115 10.281 6.104 6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.431 5.319 8.865 1.00 0.00 H new ATOM 0 HG12 VAL A 115 12.442 6.419 7.899 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.652 7.007 9.382 1.00 0.00 H new ATOM 0 HG21 VAL A 115 9.002 5.536 8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 115 9.076 7.241 9.381 1.00 0.00 H new ATOM 0 HG23 VAL A 115 8.194 6.790 7.902 1.00 0.00 H new ATOM 1913 N SER A 116 11.936 9.613 8.523 1.00 0.00 N ATOM 1914 CA SER A 116 12.273 10.572 9.567 1.00 0.00 C ATOM 1915 C SER A 116 11.907 12.000 9.148 1.00 0.00 C ATOM 1916 O SER A 116 11.299 12.745 9.915 1.00 0.00 O ATOM 1917 CB SER A 116 13.764 10.492 9.893 1.00 0.00 C ATOM 1918 OG SER A 116 14.129 9.175 10.279 1.00 0.00 O ATOM 0 H SER A 116 12.724 9.321 7.945 1.00 0.00 H new ATOM 0 HA SER A 116 11.695 10.319 10.456 1.00 0.00 H new ATOM 0 HB2 SER A 116 14.347 10.795 9.023 1.00 0.00 H new ATOM 0 HB3 SER A 116 14.003 11.190 10.696 1.00 0.00 H new ATOM 0 HG SER A 116 14.281 8.630 9.479 1.00 0.00 H new ATOM 1924 N SER A 117 12.268 12.369 7.925 1.00 0.00 N ATOM 1925 CA SER A 117 12.073 13.732 7.447 1.00 0.00 C ATOM 1926 C SER A 117 10.673 13.935 6.863 1.00 0.00 C ATOM 1927 O SER A 117 9.978 14.895 7.205 1.00 0.00 O ATOM 1928 CB SER A 117 13.137 14.069 6.402 1.00 0.00 C ATOM 1929 OG SER A 117 13.199 13.066 5.400 1.00 0.00 O ATOM 0 H SER A 117 12.698 11.742 7.245 1.00 0.00 H new ATOM 0 HA SER A 117 12.171 14.405 8.299 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.911 15.032 5.944 1.00 0.00 H new ATOM 0 HB3 SER A 117 14.109 14.166 6.885 1.00 0.00 H new ATOM 0 HG SER A 117 13.658 12.277 5.755 1.00 0.00 H new ATOM 1935 N GLY A 118 10.265 13.030 5.984 1.00 0.00 N ATOM 1936 CA GLY A 118 8.958 13.127 5.367 1.00 0.00 C ATOM 1937 C GLY A 118 7.868 12.576 6.261 1.00 0.00 C ATOM 1938 O GLY A 118 6.748 13.087 6.276 1.00 0.00 O ATOM 0 H GLY A 118 10.819 12.227 5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 118 8.743 14.170 5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 118 8.962 12.583 4.422 1.00 0.00 H new ATOM 1942 N GLY A 119 8.200 11.530 6.999 1.00 0.00 N ATOM 1943 CA GLY A 119 7.255 10.943 7.924 1.00 0.00 C ATOM 1944 C GLY A 119 6.854 9.542 7.519 1.00 0.00 C ATOM 1945 O GLY A 119 7.297 9.030 6.485 1.00 0.00 O ATOM 0 H GLY A 119 9.112 11.074 6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 119 7.693 10.920 8.922 1.00 0.00 H new ATOM 0 HA3 GLY A 119 6.366 11.571 7.980 1.00 0.00 H new ATOM 1949 N LEU A 120 6.005 8.927 8.331 1.00 0.00 N ATOM 1950 CA LEU A 120 5.514 7.578 8.065 1.00 0.00 C ATOM 1951 C LEU A 120 4.758 7.498 6.729 1.00 0.00 C ATOM 1952 O LEU A 120 5.069 6.643 5.896 1.00 0.00 O ATOM 1953 CB LEU A 120 4.615 7.102 9.209 1.00 0.00 C ATOM 1954 CG LEU A 120 4.019 5.704 9.033 1.00 0.00 C ATOM 1955 CD1 LEU A 120 5.107 4.641 9.077 1.00 0.00 C ATOM 1956 CD2 LEU A 120 2.970 5.442 10.099 1.00 0.00 C ATOM 0 H LEU A 120 5.638 9.344 9.187 1.00 0.00 H new ATOM 0 HA LEU A 120 6.382 6.922 7.994 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.192 7.120 10.134 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.799 7.815 9.329 1.00 0.00 H new ATOM 0 HG LEU A 120 3.541 5.655 8.055 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.658 3.656 8.950 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.823 4.820 8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.620 4.685 10.038 1.00 0.00 H new ATOM 0 HD21 LEU A 120 2.554 4.444 9.962 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.428 5.512 11.085 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.174 6.182 10.015 1.00 0.00 H new ATOM 1968 N PRO A 121 3.761 8.382 6.487 1.00 0.00 N ATOM 1969 CA PRO A 121 2.998 8.370 5.234 1.00 0.00 C ATOM 1970 C PRO A 121 3.880 8.602 4.010 1.00 0.00 C ATOM 1971 O PRO A 121 3.558 8.146 2.914 1.00 0.00 O ATOM 1972 CB PRO A 121 1.999 9.520 5.391 1.00 0.00 C ATOM 1973 CG PRO A 121 2.559 10.376 6.472 1.00 0.00 C ATOM 1974 CD PRO A 121 3.283 9.444 7.395 1.00 0.00 C ATOM 0 HA PRO A 121 2.525 7.402 5.070 1.00 0.00 H new ATOM 0 HB2 PRO A 121 1.892 10.079 4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 121 1.009 9.149 5.655 1.00 0.00 H new ATOM 0 HG2 PRO A 121 3.236 11.128 6.065 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.768 10.911 6.997 1.00 0.00 H new ATOM 0 HD2 PRO A 121 4.108 9.941 7.905 1.00 0.00 H new ATOM 0 HD3 PRO A 121 2.624 9.048 8.167 1.00 0.00 H new ATOM 1982 N ALA A 122 4.988 9.314 4.199 1.00 0.00 N ATOM 1983 CA ALA A 122 5.912 9.594 3.105 1.00 0.00 C ATOM 1984 C ALA A 122 6.642 8.325 2.687 1.00 0.00 C ATOM 1985 O ALA A 122 6.800 8.054 1.497 1.00 0.00 O ATOM 1986 CB ALA A 122 6.908 10.676 3.502 1.00 0.00 C ATOM 0 H ALA A 122 5.267 9.707 5.098 1.00 0.00 H new ATOM 0 HA ALA A 122 5.334 9.958 2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 122 7.587 10.868 2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.371 11.591 3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.480 10.344 4.368 1.00 0.00 H new ATOM 1992 N LEU A 123 7.070 7.552 3.680 1.00 0.00 N ATOM 1993 CA LEU A 123 7.729 6.273 3.440 1.00 0.00 C ATOM 1994 C LEU A 123 6.843 5.364 2.595 1.00 0.00 C ATOM 1995 O LEU A 123 7.254 4.878 1.536 1.00 0.00 O ATOM 1996 CB LEU A 123 8.041 5.595 4.778 1.00 0.00 C ATOM 1997 CG LEU A 123 8.568 4.162 4.686 1.00 0.00 C ATOM 1998 CD1 LEU A 123 9.910 4.131 3.978 1.00 0.00 C ATOM 1999 CD2 LEU A 123 8.679 3.549 6.072 1.00 0.00 C ATOM 0 H LEU A 123 6.971 7.792 4.666 1.00 0.00 H new ATOM 0 HA LEU A 123 8.657 6.454 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.776 6.200 5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 123 7.134 5.591 5.383 1.00 0.00 H new ATOM 0 HG LEU A 123 7.862 3.571 4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.268 3.103 3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 123 9.799 4.532 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.628 4.736 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.055 2.529 5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.365 4.141 6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.697 3.536 6.544 1.00 0.00 H new ATOM 2011 N VAL A 124 5.623 5.157 3.068 1.00 0.00 N ATOM 2012 CA VAL A 124 4.660 4.312 2.378 1.00 0.00 C ATOM 2013 C VAL A 124 4.362 4.849 0.983 1.00 0.00 C ATOM 2014 O VAL A 124 4.345 4.100 0.003 1.00 0.00 O ATOM 2015 CB VAL A 124 3.342 4.208 3.172 1.00 0.00 C ATOM 2016 CG1 VAL A 124 2.309 3.402 2.402 1.00 0.00 C ATOM 2017 CG2 VAL A 124 3.592 3.592 4.539 1.00 0.00 C ATOM 0 H VAL A 124 5.274 5.567 3.935 1.00 0.00 H new ATOM 0 HA VAL A 124 5.105 3.321 2.293 1.00 0.00 H new ATOM 0 HB VAL A 124 2.949 5.215 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 124 1.388 3.342 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.106 3.888 1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 124 2.691 2.397 2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.651 3.526 5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.012 2.593 4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.293 4.214 5.096 1.00 0.00 H new ATOM 2027 N ASP A 125 4.152 6.157 0.900 1.00 0.00 N ATOM 2028 CA ASP A 125 3.794 6.794 -0.357 1.00 0.00 C ATOM 2029 C ASP A 125 4.895 6.604 -1.387 1.00 0.00 C ATOM 2030 O ASP A 125 4.626 6.208 -2.514 1.00 0.00 O ATOM 2031 CB ASP A 125 3.525 8.284 -0.150 1.00 0.00 C ATOM 2032 CG ASP A 125 2.850 8.918 -1.347 1.00 0.00 C ATOM 2033 OD1 ASP A 125 1.611 8.793 -1.462 1.00 0.00 O ATOM 2034 OD2 ASP A 125 3.545 9.543 -2.173 1.00 0.00 O ATOM 0 H ASP A 125 4.224 6.797 1.691 1.00 0.00 H new ATOM 0 HA ASP A 125 2.883 6.322 -0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 125 2.898 8.419 0.731 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.466 8.797 0.047 1.00 0.00 H new ATOM 2039 N ALA A 126 6.137 6.851 -0.978 1.00 0.00 N ATOM 2040 CA ALA A 126 7.285 6.743 -1.876 1.00 0.00 C ATOM 2041 C ALA A 126 7.427 5.332 -2.440 1.00 0.00 C ATOM 2042 O ALA A 126 7.838 5.152 -3.590 1.00 0.00 O ATOM 2043 CB ALA A 126 8.561 7.149 -1.152 1.00 0.00 C ATOM 0 H ALA A 126 6.375 7.129 -0.026 1.00 0.00 H new ATOM 0 HA ALA A 126 7.116 7.421 -2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.408 7.064 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 126 8.473 8.180 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 126 8.717 6.494 -0.295 1.00 0.00 H new ATOM 2049 N LEU A 127 7.090 4.335 -1.630 1.00 0.00 N ATOM 2050 CA LEU A 127 7.176 2.941 -2.055 1.00 0.00 C ATOM 2051 C LEU A 127 6.163 2.629 -3.159 1.00 0.00 C ATOM 2052 O LEU A 127 6.506 2.012 -4.165 1.00 0.00 O ATOM 2053 CB LEU A 127 6.957 2.004 -0.864 1.00 0.00 C ATOM 2054 CG LEU A 127 8.090 1.984 0.167 1.00 0.00 C ATOM 2055 CD1 LEU A 127 7.704 1.128 1.361 1.00 0.00 C ATOM 2056 CD2 LEU A 127 9.371 1.462 -0.465 1.00 0.00 C ATOM 0 H LEU A 127 6.755 4.465 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 127 8.176 2.780 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 127 6.034 2.292 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.812 0.991 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 127 8.263 3.003 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.519 1.124 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 127 6.807 1.537 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.508 0.108 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 127 10.167 1.454 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.208 0.449 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 127 9.657 2.109 -1.295 1.00 0.00 H new ATOM 2068 N VAL A 128 4.924 3.072 -2.974 1.00 0.00 N ATOM 2069 CA VAL A 128 3.858 2.764 -3.925 1.00 0.00 C ATOM 2070 C VAL A 128 3.858 3.749 -5.097 1.00 0.00 C ATOM 2071 O VAL A 128 3.360 3.448 -6.181 1.00 0.00 O ATOM 2072 CB VAL A 128 2.472 2.773 -3.239 1.00 0.00 C ATOM 2073 CG1 VAL A 128 1.404 2.209 -4.165 1.00 0.00 C ATOM 2074 CG2 VAL A 128 2.518 1.992 -1.934 1.00 0.00 C ATOM 0 H VAL A 128 4.633 3.642 -2.180 1.00 0.00 H new ATOM 0 HA VAL A 128 4.052 1.762 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 128 2.211 3.807 -3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 128 0.438 2.226 -3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 128 1.351 2.814 -5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 128 1.657 1.182 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.534 2.009 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.805 0.960 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.247 2.446 -1.264 1.00 0.00 H new ATOM 2084 N ASP A 129 4.430 4.926 -4.873 1.00 0.00 N ATOM 2085 CA ASP A 129 4.522 5.956 -5.907 1.00 0.00 C ATOM 2086 C ASP A 129 5.523 5.547 -6.983 1.00 0.00 C ATOM 2087 O ASP A 129 5.479 6.042 -8.113 1.00 0.00 O ATOM 2088 CB ASP A 129 4.940 7.290 -5.282 1.00 0.00 C ATOM 2089 CG ASP A 129 5.000 8.422 -6.286 1.00 0.00 C ATOM 2090 OD1 ASP A 129 3.951 9.040 -6.555 1.00 0.00 O ATOM 2091 OD2 ASP A 129 6.100 8.708 -6.801 1.00 0.00 O ATOM 0 H ASP A 129 4.841 5.194 -3.979 1.00 0.00 H new ATOM 0 HA ASP A 129 3.542 6.071 -6.371 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.237 7.550 -4.491 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.918 7.175 -4.814 1.00 0.00 H new ATOM 2096 N SER A 130 6.420 4.639 -6.612 1.00 0.00 N ATOM 2097 CA SER A 130 7.432 4.121 -7.519 1.00 0.00 C ATOM 2098 C SER A 130 6.801 3.610 -8.815 1.00 0.00 C ATOM 2099 O SER A 130 5.939 2.728 -8.797 1.00 0.00 O ATOM 2100 CB SER A 130 8.214 2.997 -6.832 1.00 0.00 C ATOM 2101 OG SER A 130 9.117 2.368 -7.725 1.00 0.00 O ATOM 0 H SER A 130 6.464 4.243 -5.673 1.00 0.00 H new ATOM 0 HA SER A 130 8.114 4.932 -7.775 1.00 0.00 H new ATOM 0 HB2 SER A 130 8.764 3.402 -5.983 1.00 0.00 H new ATOM 0 HB3 SER A 130 7.518 2.257 -6.437 1.00 0.00 H new ATOM 0 HG SER A 130 9.263 2.946 -8.503 1.00 0.00 H new ATOM 2107 N GLN A 131 7.236 4.173 -9.938 1.00 0.00 N ATOM 2108 CA GLN A 131 6.730 3.764 -11.239 1.00 0.00 C ATOM 2109 C GLN A 131 7.156 2.339 -11.545 1.00 0.00 C ATOM 2110 O GLN A 131 6.429 1.592 -12.192 1.00 0.00 O ATOM 2111 CB GLN A 131 7.221 4.712 -12.338 1.00 0.00 C ATOM 2112 CG GLN A 131 6.657 6.119 -12.227 1.00 0.00 C ATOM 2113 CD GLN A 131 5.150 6.151 -12.370 1.00 0.00 C ATOM 2114 OE1 GLN A 131 4.623 6.292 -13.476 1.00 0.00 O ATOM 2115 NE2 GLN A 131 4.440 6.013 -11.259 1.00 0.00 N ATOM 0 H GLN A 131 7.937 4.913 -9.971 1.00 0.00 H new ATOM 0 HA GLN A 131 5.641 3.808 -11.211 1.00 0.00 H new ATOM 0 HB2 GLN A 131 8.309 4.762 -12.303 1.00 0.00 H new ATOM 0 HB3 GLN A 131 6.952 4.298 -13.310 1.00 0.00 H new ATOM 0 HG2 GLN A 131 6.937 6.544 -11.263 1.00 0.00 H new ATOM 0 HG3 GLN A 131 7.105 6.749 -12.995 1.00 0.00 H new ATOM 0 HE21 GLN A 131 4.913 5.899 -10.362 1.00 0.00 H new ATOM 0 HE22 GLN A 131 3.421 6.021 -11.301 1.00 0.00 H new ATOM 2124 N GLU A 132 8.335 1.968 -11.056 1.00 0.00 N ATOM 2125 CA GLU A 132 8.860 0.624 -11.250 1.00 0.00 C ATOM 2126 C GLU A 132 7.982 -0.387 -10.520 1.00 0.00 C ATOM 2127 O GLU A 132 7.685 -1.462 -11.038 1.00 0.00 O ATOM 2128 CB GLU A 132 10.305 0.520 -10.742 1.00 0.00 C ATOM 2129 CG GLU A 132 11.174 1.729 -11.070 1.00 0.00 C ATOM 2130 CD GLU A 132 11.126 2.789 -9.986 1.00 0.00 C ATOM 2131 OE1 GLU A 132 10.147 3.564 -9.934 1.00 0.00 O ATOM 2132 OE2 GLU A 132 12.056 2.836 -9.157 1.00 0.00 O ATOM 0 H GLU A 132 8.946 2.584 -10.520 1.00 0.00 H new ATOM 0 HA GLU A 132 8.854 0.406 -12.318 1.00 0.00 H new ATOM 0 HB2 GLU A 132 10.289 0.382 -9.661 1.00 0.00 H new ATOM 0 HB3 GLU A 132 10.765 -0.370 -11.170 1.00 0.00 H new ATOM 0 HG2 GLU A 132 12.205 1.404 -11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 132 10.845 2.164 -12.014 1.00 0.00 H new ATOM 2139 N TYR A 133 7.555 -0.015 -9.321 1.00 0.00 N ATOM 2140 CA TYR A 133 6.689 -0.861 -8.510 1.00 0.00 C ATOM 2141 C TYR A 133 5.336 -1.042 -9.189 1.00 0.00 C ATOM 2142 O TYR A 133 4.840 -2.161 -9.312 1.00 0.00 O ATOM 2143 CB TYR A 133 6.513 -0.245 -7.116 1.00 0.00 C ATOM 2144 CG TYR A 133 5.555 -0.997 -6.216 1.00 0.00 C ATOM 2145 CD1 TYR A 133 5.894 -2.232 -5.677 1.00 0.00 C ATOM 2146 CD2 TYR A 133 4.313 -0.461 -5.901 1.00 0.00 C ATOM 2147 CE1 TYR A 133 5.018 -2.911 -4.850 1.00 0.00 C ATOM 2148 CE2 TYR A 133 3.434 -1.133 -5.076 1.00 0.00 C ATOM 2149 CZ TYR A 133 3.790 -2.357 -4.554 1.00 0.00 C ATOM 2150 OH TYR A 133 2.915 -3.027 -3.735 1.00 0.00 O ATOM 0 H TYR A 133 7.797 0.875 -8.885 1.00 0.00 H new ATOM 0 HA TYR A 133 7.152 -1.842 -8.404 1.00 0.00 H new ATOM 0 HB2 TYR A 133 7.487 -0.195 -6.629 1.00 0.00 H new ATOM 0 HB3 TYR A 133 6.159 0.780 -7.227 1.00 0.00 H new ATOM 0 HD1 TYR A 133 6.855 -2.668 -5.907 1.00 0.00 H new ATOM 0 HD2 TYR A 133 4.030 0.498 -6.309 1.00 0.00 H new ATOM 0 HE1 TYR A 133 5.294 -3.870 -4.438 1.00 0.00 H new ATOM 0 HE2 TYR A 133 2.472 -0.702 -4.841 1.00 0.00 H new ATOM 0 HH TYR A 133 3.414 -3.633 -3.149 1.00 0.00 H new ATOM 2160 N ALA A 134 4.754 0.059 -9.644 1.00 0.00 N ATOM 2161 CA ALA A 134 3.455 0.020 -10.302 1.00 0.00 C ATOM 2162 C ALA A 134 3.531 -0.712 -11.640 1.00 0.00 C ATOM 2163 O ALA A 134 2.599 -1.411 -12.030 1.00 0.00 O ATOM 2164 CB ALA A 134 2.928 1.430 -10.499 1.00 0.00 C ATOM 0 H ALA A 134 5.161 0.991 -9.570 1.00 0.00 H new ATOM 0 HA ALA A 134 2.767 -0.531 -9.661 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.957 1.390 -10.992 1.00 0.00 H new ATOM 0 HB2 ALA A 134 2.824 1.918 -9.530 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.625 1.996 -11.117 1.00 0.00 H new ATOM 2170 N ASP A 135 4.644 -0.548 -12.341 1.00 0.00 N ATOM 2171 CA ASP A 135 4.832 -1.171 -13.651 1.00 0.00 C ATOM 2172 C ASP A 135 5.068 -2.676 -13.521 1.00 0.00 C ATOM 2173 O ASP A 135 4.753 -3.447 -14.430 1.00 0.00 O ATOM 2174 CB ASP A 135 6.012 -0.513 -14.375 1.00 0.00 C ATOM 2175 CG ASP A 135 6.246 -1.069 -15.767 1.00 0.00 C ATOM 2176 OD1 ASP A 135 5.655 -0.535 -16.734 1.00 0.00 O ATOM 2177 OD2 ASP A 135 7.031 -2.027 -15.907 1.00 0.00 O ATOM 0 H ASP A 135 5.436 0.013 -12.026 1.00 0.00 H new ATOM 0 HA ASP A 135 3.922 -1.023 -14.232 1.00 0.00 H new ATOM 0 HB2 ASP A 135 5.834 0.560 -14.445 1.00 0.00 H new ATOM 0 HB3 ASP A 135 6.915 -0.648 -13.780 1.00 0.00 H new ATOM 2182 N TYR A 136 5.596 -3.084 -12.372 1.00 0.00 N ATOM 2183 CA TYR A 136 5.975 -4.470 -12.127 1.00 0.00 C ATOM 2184 C TYR A 136 4.796 -5.430 -12.301 1.00 0.00 C ATOM 2185 O TYR A 136 4.895 -6.415 -13.034 1.00 0.00 O ATOM 2186 CB TYR A 136 6.557 -4.602 -10.716 1.00 0.00 C ATOM 2187 CG TYR A 136 7.016 -5.999 -10.363 1.00 0.00 C ATOM 2188 CD1 TYR A 136 8.236 -6.483 -10.815 1.00 0.00 C ATOM 2189 CD2 TYR A 136 6.228 -6.831 -9.580 1.00 0.00 C ATOM 2190 CE1 TYR A 136 8.657 -7.762 -10.494 1.00 0.00 C ATOM 2191 CE2 TYR A 136 6.640 -8.109 -9.256 1.00 0.00 C ATOM 2192 CZ TYR A 136 7.855 -8.572 -9.715 1.00 0.00 C ATOM 2193 OH TYR A 136 8.265 -9.846 -9.394 1.00 0.00 O ATOM 0 H TYR A 136 5.773 -2.462 -11.583 1.00 0.00 H new ATOM 0 HA TYR A 136 6.727 -4.745 -12.866 1.00 0.00 H new ATOM 0 HB2 TYR A 136 7.401 -3.919 -10.618 1.00 0.00 H new ATOM 0 HB3 TYR A 136 5.805 -4.285 -9.994 1.00 0.00 H new ATOM 0 HD1 TYR A 136 8.866 -5.853 -11.426 1.00 0.00 H new ATOM 0 HD2 TYR A 136 5.276 -6.473 -9.218 1.00 0.00 H new ATOM 0 HE1 TYR A 136 9.609 -8.125 -10.852 1.00 0.00 H new ATOM 0 HE2 TYR A 136 6.013 -8.743 -8.646 1.00 0.00 H new ATOM 0 HH TYR A 136 7.583 -10.279 -8.839 1.00 0.00 H new ATOM 2203 N PHE A 137 3.687 -5.148 -11.633 1.00 0.00 N ATOM 2204 CA PHE A 137 2.538 -6.046 -11.677 1.00 0.00 C ATOM 2205 C PHE A 137 1.248 -5.292 -11.983 1.00 0.00 C ATOM 2206 O PHE A 137 0.165 -5.872 -11.978 1.00 0.00 O ATOM 2207 CB PHE A 137 2.407 -6.816 -10.355 1.00 0.00 C ATOM 2208 CG PHE A 137 2.172 -5.946 -9.150 1.00 0.00 C ATOM 2209 CD1 PHE A 137 3.218 -5.255 -8.561 1.00 0.00 C ATOM 2210 CD2 PHE A 137 0.905 -5.828 -8.602 1.00 0.00 C ATOM 2211 CE1 PHE A 137 3.005 -4.465 -7.450 1.00 0.00 C ATOM 2212 CE2 PHE A 137 0.686 -5.037 -7.492 1.00 0.00 C ATOM 2213 CZ PHE A 137 1.737 -4.354 -6.916 1.00 0.00 C ATOM 0 H PHE A 137 3.557 -4.315 -11.060 1.00 0.00 H new ATOM 0 HA PHE A 137 2.706 -6.758 -12.485 1.00 0.00 H new ATOM 0 HB2 PHE A 137 1.584 -7.526 -10.442 1.00 0.00 H new ATOM 0 HB3 PHE A 137 3.315 -7.398 -10.196 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.212 -5.335 -8.976 1.00 0.00 H new ATOM 0 HD2 PHE A 137 0.079 -6.361 -9.049 1.00 0.00 H new ATOM 0 HE1 PHE A 137 3.830 -3.934 -6.998 1.00 0.00 H new ATOM 0 HE2 PHE A 137 -0.307 -4.953 -7.075 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.568 -3.733 -6.048 1.00 0.00 H new ATOM 2223 N GLY A 138 1.371 -4.005 -12.269 1.00 0.00 N ATOM 2224 CA GLY A 138 0.201 -3.193 -12.524 1.00 0.00 C ATOM 2225 C GLY A 138 -0.326 -2.552 -11.256 1.00 0.00 C ATOM 2226 O GLY A 138 -0.159 -3.093 -10.166 1.00 0.00 O ATOM 0 H GLY A 138 2.260 -3.509 -12.329 1.00 0.00 H new ATOM 0 HA2 GLY A 138 0.448 -2.417 -13.248 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -0.579 -3.809 -12.971 1.00 0.00 H new ATOM 2230 N GLU A 139 -0.981 -1.411 -11.394 1.00 0.00 N ATOM 2231 CA GLU A 139 -1.499 -0.688 -10.242 1.00 0.00 C ATOM 2232 C GLU A 139 -2.924 -1.132 -9.926 1.00 0.00 C ATOM 2233 O GLU A 139 -3.583 -0.566 -9.055 1.00 0.00 O ATOM 2234 CB GLU A 139 -1.444 0.826 -10.479 1.00 0.00 C ATOM 2235 CG GLU A 139 -2.210 1.295 -11.705 1.00 0.00 C ATOM 2236 CD GLU A 139 -2.235 2.804 -11.828 1.00 0.00 C ATOM 2237 OE1 GLU A 139 -1.167 3.404 -12.083 1.00 0.00 O ATOM 2238 OE2 GLU A 139 -3.323 3.398 -11.665 1.00 0.00 O ATOM 0 H GLU A 139 -1.167 -0.965 -12.292 1.00 0.00 H new ATOM 0 HA GLU A 139 -0.869 -0.920 -9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -1.841 1.334 -9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.402 1.129 -10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -1.756 0.868 -12.599 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -3.232 0.920 -11.657 1.00 0.00 H new ATOM 2245 N GLU A 140 -3.395 -2.139 -10.652 1.00 0.00 N ATOM 2246 CA GLU A 140 -4.744 -2.660 -10.459 1.00 0.00 C ATOM 2247 C GLU A 140 -4.734 -4.004 -9.736 1.00 0.00 C ATOM 2248 O GLU A 140 -5.786 -4.520 -9.367 1.00 0.00 O ATOM 2249 CB GLU A 140 -5.451 -2.793 -11.810 1.00 0.00 C ATOM 2250 CG GLU A 140 -4.678 -3.604 -12.834 1.00 0.00 C ATOM 2251 CD GLU A 140 -5.211 -3.411 -14.237 1.00 0.00 C ATOM 2252 OE1 GLU A 140 -5.036 -2.304 -14.794 1.00 0.00 O ATOM 2253 OE2 GLU A 140 -5.795 -4.360 -14.795 1.00 0.00 O ATOM 0 H GLU A 140 -2.862 -2.612 -11.381 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.288 -1.953 -9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -6.425 -3.257 -11.655 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -5.633 -1.797 -12.213 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.627 -3.317 -12.804 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.728 -4.661 -12.571 1.00 0.00 H new ATOM 2260 N THR A 141 -3.553 -4.562 -9.525 1.00 0.00 N ATOM 2261 CA THR A 141 -3.434 -5.862 -8.877 1.00 0.00 C ATOM 2262 C THR A 141 -3.149 -5.703 -7.382 1.00 0.00 C ATOM 2263 O THR A 141 -2.483 -4.752 -6.972 1.00 0.00 O ATOM 2264 CB THR A 141 -2.318 -6.699 -9.536 1.00 0.00 C ATOM 2265 OG1 THR A 141 -2.533 -6.750 -10.952 1.00 0.00 O ATOM 2266 CG2 THR A 141 -2.285 -8.116 -8.981 1.00 0.00 C ATOM 0 H THR A 141 -2.664 -4.138 -9.791 1.00 0.00 H new ATOM 0 HA THR A 141 -4.384 -6.382 -8.998 1.00 0.00 H new ATOM 0 HB THR A 141 -1.362 -6.223 -9.316 1.00 0.00 H new ATOM 0 HG1 THR A 141 -1.714 -6.480 -11.417 1.00 0.00 H new ATOM 0 HG21 THR A 141 -1.488 -8.678 -9.467 1.00 0.00 H new ATOM 0 HG22 THR A 141 -2.103 -8.082 -7.907 1.00 0.00 H new ATOM 0 HG23 THR A 141 -3.241 -8.604 -9.172 1.00 0.00 H new ATOM 2274 N VAL A 142 -3.676 -6.620 -6.577 1.00 0.00 N ATOM 2275 CA VAL A 142 -3.425 -6.615 -5.141 1.00 0.00 C ATOM 2276 C VAL A 142 -2.004 -7.088 -4.845 1.00 0.00 C ATOM 2277 O VAL A 142 -1.611 -8.180 -5.260 1.00 0.00 O ATOM 2278 CB VAL A 142 -4.418 -7.526 -4.382 1.00 0.00 C ATOM 2279 CG1 VAL A 142 -4.159 -7.479 -2.883 1.00 0.00 C ATOM 2280 CG2 VAL A 142 -5.855 -7.138 -4.684 1.00 0.00 C ATOM 0 H VAL A 142 -4.281 -7.377 -6.896 1.00 0.00 H new ATOM 0 HA VAL A 142 -3.558 -5.589 -4.799 1.00 0.00 H new ATOM 0 HB VAL A 142 -4.262 -8.548 -4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -4.870 -8.127 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -3.144 -7.820 -2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -4.278 -6.456 -2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -6.532 -7.795 -4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -6.025 -6.106 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -6.041 -7.235 -5.754 1.00 0.00 H new ATOM 2290 N PRO A 143 -1.215 -6.268 -4.137 1.00 0.00 N ATOM 2291 CA PRO A 143 0.139 -6.640 -3.721 1.00 0.00 C ATOM 2292 C PRO A 143 0.129 -7.825 -2.759 1.00 0.00 C ATOM 2293 O PRO A 143 -0.515 -7.783 -1.709 1.00 0.00 O ATOM 2294 CB PRO A 143 0.667 -5.382 -3.022 1.00 0.00 C ATOM 2295 CG PRO A 143 -0.549 -4.607 -2.644 1.00 0.00 C ATOM 2296 CD PRO A 143 -1.576 -4.911 -3.696 1.00 0.00 C ATOM 0 HA PRO A 143 0.755 -6.953 -4.564 1.00 0.00 H new ATOM 0 HB2 PRO A 143 1.259 -5.639 -2.144 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.312 -4.805 -3.684 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -0.905 -4.897 -1.656 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -0.335 -3.539 -2.605 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -2.588 -4.875 -3.293 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -1.534 -4.196 -4.518 1.00 0.00 H new