USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 555 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 46 CYS SG : rot 89:sc= -0.821 USER MOD Set 1.2: A 78 GLN : amide:sc= -1.78 K(o=-2.6,f=-1.3) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -3.72! C(o=-3.7!,f=-4!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 82:sc= 0.145 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -164:sc= -1.53 (180deg=-1.58!) USER MOD Single : A 50 HIS : no HD1:sc= -1.99 K(o=-2,f=-0.41) USER MOD Single : A 52 HIS : no HD1:sc= -0.0424 X(o=-0.042,f=-0.12) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0771 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -134:sc= 0.599 (180deg=0.00846) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc=-0.00584 X(o=-0.0058,f=-0.11) USER MOD Single : A 86 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.554) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 5.877 13.168 4.636 1.00 0.00 N ATOM 191 CA ILE A 16 5.307 11.829 4.568 1.00 0.00 C ATOM 192 C ILE A 16 3.828 11.880 4.198 1.00 0.00 C ATOM 193 O ILE A 16 3.103 12.782 4.615 1.00 0.00 O ATOM 194 CB ILE A 16 5.464 11.082 5.906 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.939 11.018 6.309 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.877 9.682 5.804 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.783 10.171 5.384 1.00 0.00 C ATOM 0 HA ILE A 16 5.855 11.291 3.794 1.00 0.00 H new ATOM 0 HB ILE A 16 4.919 11.628 6.676 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.345 12.029 6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.014 10.620 7.321 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.996 9.167 6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.817 9.749 5.557 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.397 9.126 5.024 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.816 10.172 5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.403 9.149 5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.739 10.580 4.375 1.00 0.00 H new ATOM 209 N ALA A 17 3.386 10.902 3.414 1.00 0.00 N ATOM 210 CA ALA A 17 1.994 10.832 2.990 1.00 0.00 C ATOM 211 C ALA A 17 1.364 9.502 3.390 1.00 0.00 C ATOM 212 O ALA A 17 1.751 8.447 2.889 1.00 0.00 O ATOM 213 CB ALA A 17 1.888 11.037 1.486 1.00 0.00 C ATOM 0 H ALA A 17 3.973 10.147 3.060 1.00 0.00 H new ATOM 0 HA ALA A 17 1.447 11.629 3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.842 10.982 1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.291 12.015 1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.455 10.261 0.972 1.00 0.00 H new ATOM 219 N GLU A 18 0.393 9.561 4.296 1.00 0.00 N ATOM 220 CA GLU A 18 -0.288 8.359 4.764 1.00 0.00 C ATOM 221 C GLU A 18 -1.442 7.992 3.835 1.00 0.00 C ATOM 222 O GLU A 18 -2.393 8.757 3.675 1.00 0.00 O ATOM 223 CB GLU A 18 -0.811 8.563 6.187 1.00 0.00 C ATOM 224 CG GLU A 18 -1.546 7.357 6.746 1.00 0.00 C ATOM 225 CD GLU A 18 -3.021 7.359 6.396 1.00 0.00 C ATOM 226 OE1 GLU A 18 -3.633 8.447 6.416 1.00 0.00 O ATOM 227 OE2 GLU A 18 -3.563 6.273 6.103 1.00 0.00 O ATOM 0 H GLU A 18 0.060 10.427 4.720 1.00 0.00 H new ATOM 0 HA GLU A 18 0.432 7.541 4.763 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.027 8.802 6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.481 9.423 6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.087 6.446 6.362 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.434 7.338 7.830 1.00 0.00 H new ATOM 234 N VAL A 19 -1.350 6.814 3.223 1.00 0.00 N ATOM 235 CA VAL A 19 -2.384 6.344 2.311 1.00 0.00 C ATOM 236 C VAL A 19 -2.632 4.850 2.485 1.00 0.00 C ATOM 237 O VAL A 19 -1.777 4.027 2.157 1.00 0.00 O ATOM 238 CB VAL A 19 -2.010 6.624 0.844 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.096 6.119 -0.092 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.761 8.110 0.633 1.00 0.00 C ATOM 0 H VAL A 19 -0.569 6.169 3.343 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.294 6.892 2.556 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.090 6.087 0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.812 6.327 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.220 5.044 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.035 6.624 0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.498 8.290 -0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.663 8.669 0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.943 8.437 1.275 1.00 0.00 H new ATOM 250 N GLU A 20 -3.808 4.507 3.002 1.00 0.00 N ATOM 251 CA GLU A 20 -4.167 3.110 3.218 1.00 0.00 C ATOM 252 C GLU A 20 -5.107 2.614 2.123 1.00 0.00 C ATOM 253 O GLU A 20 -5.697 3.407 1.390 1.00 0.00 O ATOM 254 CB GLU A 20 -4.826 2.937 4.588 1.00 0.00 C ATOM 255 CG GLU A 20 -6.323 3.198 4.582 1.00 0.00 C ATOM 256 CD GLU A 20 -6.828 3.728 5.909 1.00 0.00 C ATOM 257 OE1 GLU A 20 -6.034 4.355 6.639 1.00 0.00 O ATOM 258 OE2 GLU A 20 -8.021 3.516 6.216 1.00 0.00 O ATOM 0 H GLU A 20 -4.527 5.176 3.278 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.253 2.517 3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.644 1.923 4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.351 3.614 5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.560 3.914 3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.848 2.274 4.341 1.00 0.00 H new ATOM 265 N VAL A 21 -5.240 1.295 2.018 1.00 0.00 N ATOM 266 CA VAL A 21 -6.107 0.691 1.014 1.00 0.00 C ATOM 267 C VAL A 21 -6.902 -0.470 1.601 1.00 0.00 C ATOM 268 O VAL A 21 -6.511 -1.057 2.610 1.00 0.00 O ATOM 269 CB VAL A 21 -5.300 0.187 -0.197 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.417 -0.986 0.202 1.00 0.00 C ATOM 271 CG2 VAL A 21 -6.230 -0.198 -1.336 1.00 0.00 C ATOM 0 H VAL A 21 -4.758 0.625 2.617 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.796 1.468 0.683 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.656 0.995 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.854 -1.329 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.724 -0.671 0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.039 -1.799 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.641 -0.552 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.902 -0.990 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.814 0.671 -1.638 1.00 0.00 H new ATOM 281 N SER A 22 -8.020 -0.798 0.961 1.00 0.00 N ATOM 282 CA SER A 22 -8.873 -1.888 1.421 1.00 0.00 C ATOM 283 C SER A 22 -8.462 -3.208 0.775 1.00 0.00 C ATOM 284 O SER A 22 -8.615 -3.394 -0.434 1.00 0.00 O ATOM 285 CB SER A 22 -10.339 -1.586 1.104 1.00 0.00 C ATOM 286 OG SER A 22 -11.199 -2.522 1.730 1.00 0.00 O ATOM 0 H SER A 22 -8.356 -0.325 0.122 1.00 0.00 H new ATOM 0 HA SER A 22 -8.754 -1.979 2.501 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.587 -0.579 1.439 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.494 -1.610 0.025 1.00 0.00 H new ATOM 0 HG SER A 22 -12.130 -2.306 1.514 1.00 0.00 H new ATOM 292 N ILE A 23 -7.941 -4.120 1.588 1.00 0.00 N ATOM 293 CA ILE A 23 -7.510 -5.423 1.096 1.00 0.00 C ATOM 294 C ILE A 23 -7.808 -6.520 2.113 1.00 0.00 C ATOM 295 O ILE A 23 -7.619 -6.351 3.318 1.00 0.00 O ATOM 296 CB ILE A 23 -6.003 -5.432 0.774 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.686 -4.402 -0.312 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.564 -6.822 0.337 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.247 -4.439 -0.776 1.00 0.00 C ATOM 0 H ILE A 23 -7.807 -3.981 2.590 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.070 -5.617 0.181 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.452 -5.164 1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.340 -4.574 -1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.912 -3.405 0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.497 -6.813 0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.760 -7.534 1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.119 -7.116 -0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.093 -3.683 -1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.587 -4.237 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.022 -5.424 -1.185 1.00 0.00 H new ATOM 311 N PRO A 24 -8.282 -7.673 1.619 1.00 0.00 N ATOM 312 CA PRO A 24 -8.613 -8.822 2.466 1.00 0.00 C ATOM 313 C PRO A 24 -7.374 -9.476 3.065 1.00 0.00 C ATOM 314 O PRO A 24 -6.297 -9.449 2.471 1.00 0.00 O ATOM 315 CB PRO A 24 -9.314 -9.783 1.503 1.00 0.00 C ATOM 316 CG PRO A 24 -8.782 -9.426 0.158 1.00 0.00 C ATOM 317 CD PRO A 24 -8.532 -7.943 0.192 1.00 0.00 C ATOM 0 HA PRO A 24 -9.224 -8.535 3.322 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.096 -10.822 1.752 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.397 -9.665 1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.863 -9.972 -0.056 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.495 -9.684 -0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.678 -7.665 -0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.390 -7.382 -0.179 1.00 0.00 H new ATOM 325 N ALA A 25 -7.534 -10.063 4.247 1.00 0.00 N ATOM 326 CA ALA A 25 -6.428 -10.728 4.925 1.00 0.00 C ATOM 327 C ALA A 25 -5.972 -11.962 4.155 1.00 0.00 C ATOM 328 O ALA A 25 -4.793 -12.316 4.170 1.00 0.00 O ATOM 329 CB ALA A 25 -6.829 -11.107 6.344 1.00 0.00 C ATOM 0 H ALA A 25 -8.418 -10.091 4.754 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.591 -10.031 4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.993 -11.603 6.838 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.097 -10.208 6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.684 -11.782 6.312 1.00 0.00 H new ATOM 335 N LYS A 26 -6.913 -12.615 3.482 1.00 0.00 N ATOM 336 CA LYS A 26 -6.610 -13.809 2.703 1.00 0.00 C ATOM 337 C LYS A 26 -5.507 -13.530 1.686 1.00 0.00 C ATOM 338 O LYS A 26 -4.736 -14.423 1.332 1.00 0.00 O ATOM 339 CB LYS A 26 -7.866 -14.309 1.986 1.00 0.00 C ATOM 340 CG LYS A 26 -8.128 -13.611 0.662 1.00 0.00 C ATOM 341 CD LYS A 26 -9.414 -14.103 0.018 1.00 0.00 C ATOM 342 CE LYS A 26 -9.728 -13.334 -1.256 1.00 0.00 C ATOM 343 NZ LYS A 26 -11.098 -13.630 -1.758 1.00 0.00 N ATOM 0 H LYS A 26 -7.894 -12.336 3.461 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.261 -14.581 3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.772 -15.381 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.728 -14.168 2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.189 -12.535 0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.291 -13.785 -0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.325 -15.165 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.239 -13.996 0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.633 -12.265 -1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.997 -13.588 -2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.274 -13.087 -2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.181 -14.646 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.797 -13.364 -1.036 1.00 0.00 H new ATOM 357 N LEU A 27 -5.438 -12.288 1.222 1.00 0.00 N ATOM 358 CA LEU A 27 -4.429 -11.891 0.246 1.00 0.00 C ATOM 359 C LEU A 27 -3.159 -11.410 0.942 1.00 0.00 C ATOM 360 O LEU A 27 -2.052 -11.597 0.436 1.00 0.00 O ATOM 361 CB LEU A 27 -4.974 -10.790 -0.663 1.00 0.00 C ATOM 362 CG LEU A 27 -6.067 -11.212 -1.647 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.510 -10.027 -2.492 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.576 -12.347 -2.533 1.00 0.00 C ATOM 0 H LEU A 27 -6.069 -11.538 1.506 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.182 -12.763 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.367 -9.990 -0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.143 -10.371 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.926 -11.567 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.288 -10.346 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.901 -9.244 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.659 -9.642 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.366 -12.635 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.702 -12.018 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.308 -13.203 -1.913 1.00 0.00 H new ATOM 376 N HIS A 28 -3.327 -10.790 2.106 1.00 0.00 N ATOM 377 CA HIS A 28 -2.194 -10.284 2.872 1.00 0.00 C ATOM 378 C HIS A 28 -1.027 -11.266 2.829 1.00 0.00 C ATOM 379 O HIS A 28 0.060 -10.931 2.359 1.00 0.00 O ATOM 380 CB HIS A 28 -2.606 -10.028 4.322 1.00 0.00 C ATOM 381 CG HIS A 28 -3.550 -8.877 4.483 1.00 0.00 C ATOM 382 ND1 HIS A 28 -4.006 -8.443 5.710 1.00 0.00 N ATOM 383 CD2 HIS A 28 -4.122 -8.066 3.563 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.820 -7.416 5.537 1.00 0.00 C ATOM 385 NE2 HIS A 28 -4.906 -7.168 4.242 1.00 0.00 N ATOM 0 H HIS A 28 -4.236 -10.626 2.539 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.873 -9.345 2.421 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.072 -10.928 4.723 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.712 -9.840 4.917 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.986 -8.116 2.493 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.328 -6.873 6.320 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.465 -6.429 3.816 1.00 0.00 H new ATOM 393 N ASN A 29 -1.259 -12.478 3.322 1.00 0.00 N ATOM 394 CA ASN A 29 -0.226 -13.506 3.341 1.00 0.00 C ATOM 395 C ASN A 29 0.277 -13.798 1.930 1.00 0.00 C ATOM 396 O ASN A 29 1.477 -13.949 1.706 1.00 0.00 O ATOM 397 CB ASN A 29 -0.765 -14.790 3.976 1.00 0.00 C ATOM 398 CG ASN A 29 -0.595 -14.803 5.483 1.00 0.00 C ATOM 399 OD1 ASN A 29 -1.568 -14.700 6.230 1.00 0.00 O ATOM 400 ND2 ASN A 29 0.646 -14.930 5.937 1.00 0.00 N ATOM 0 H ASN A 29 -2.154 -12.772 3.714 1.00 0.00 H new ATOM 0 HA ASN A 29 0.608 -13.135 3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.822 -14.898 3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.249 -15.649 3.547 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.823 -14.945 6.941 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.423 -15.012 5.281 1.00 0.00 H new ATOM 407 N SER A 30 -0.651 -13.875 0.980 1.00 0.00 N ATOM 408 CA SER A 30 -0.303 -14.152 -0.408 1.00 0.00 C ATOM 409 C SER A 30 0.696 -13.125 -0.932 1.00 0.00 C ATOM 410 O SER A 30 1.650 -13.470 -1.630 1.00 0.00 O ATOM 411 CB SER A 30 -1.560 -14.149 -1.281 1.00 0.00 C ATOM 412 OG SER A 30 -2.546 -15.022 -0.758 1.00 0.00 O ATOM 0 H SER A 30 -1.649 -13.749 1.147 1.00 0.00 H new ATOM 0 HA SER A 30 0.159 -15.138 -0.452 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.961 -13.137 -1.343 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.303 -14.452 -2.296 1.00 0.00 H new ATOM 0 HG SER A 30 -3.036 -14.570 -0.040 1.00 0.00 H new ATOM 418 N LEU A 31 0.469 -11.861 -0.592 1.00 0.00 N ATOM 419 CA LEU A 31 1.349 -10.781 -1.027 1.00 0.00 C ATOM 420 C LEU A 31 2.655 -10.793 -0.240 1.00 0.00 C ATOM 421 O LEU A 31 3.732 -10.974 -0.808 1.00 0.00 O ATOM 422 CB LEU A 31 0.652 -9.431 -0.861 1.00 0.00 C ATOM 423 CG LEU A 31 -0.156 -8.939 -2.064 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.324 -8.081 -1.607 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.735 -8.165 -3.024 1.00 0.00 C ATOM 0 H LEU A 31 -0.317 -11.558 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 31 1.580 -10.936 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.015 -9.493 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.407 -8.681 -0.625 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.554 -9.807 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.887 -7.740 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.976 -8.668 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.948 -7.218 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.144 -7.823 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.163 -7.305 -2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.537 -8.812 -3.378 1.00 0.00 H new ATOM 437 N ILE A 32 2.551 -10.600 1.070 1.00 0.00 N ATOM 438 CA ILE A 32 3.724 -10.591 1.936 1.00 0.00 C ATOM 439 C ILE A 32 4.609 -11.805 1.675 1.00 0.00 C ATOM 440 O ILE A 32 5.835 -11.721 1.749 1.00 0.00 O ATOM 441 CB ILE A 32 3.327 -10.570 3.423 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.439 -9.360 3.719 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.567 -10.552 4.304 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.616 -9.508 4.980 1.00 0.00 C ATOM 0 H ILE A 32 1.667 -10.448 1.555 1.00 0.00 H new ATOM 0 HA ILE A 32 4.279 -9.682 1.704 1.00 0.00 H new ATOM 0 HB ILE A 32 2.762 -11.475 3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.066 -8.472 3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.769 -9.196 2.875 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.268 -10.537 5.352 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.165 -11.443 4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.158 -9.663 4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.011 -8.613 5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.963 -10.376 4.889 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.280 -9.641 5.834 1.00 0.00 H new ATOM 456 N GLY A 33 3.979 -12.935 1.368 1.00 0.00 N ATOM 457 CA GLY A 33 4.725 -14.150 1.098 1.00 0.00 C ATOM 458 C GLY A 33 5.191 -14.838 2.366 1.00 0.00 C ATOM 459 O GLY A 33 4.995 -14.325 3.468 1.00 0.00 O ATOM 0 H GLY A 33 2.966 -13.030 1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.101 -14.836 0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.590 -13.912 0.479 1.00 0.00 H new ATOM 463 N THR A 34 5.807 -16.006 2.212 1.00 0.00 N ATOM 464 CA THR A 34 6.299 -16.767 3.353 1.00 0.00 C ATOM 465 C THR A 34 6.919 -15.848 4.400 1.00 0.00 C ATOM 466 O THR A 34 6.725 -16.039 5.601 1.00 0.00 O ATOM 467 CB THR A 34 7.343 -17.815 2.922 1.00 0.00 C ATOM 468 OG1 THR A 34 7.491 -18.807 3.944 1.00 0.00 O ATOM 469 CG2 THR A 34 8.687 -17.157 2.648 1.00 0.00 C ATOM 0 H THR A 34 5.977 -16.445 1.307 1.00 0.00 H new ATOM 0 HA THR A 34 5.440 -17.279 3.786 1.00 0.00 H new ATOM 0 HB THR A 34 6.994 -18.289 2.004 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.155 -19.470 3.662 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.409 -17.916 2.345 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.577 -16.422 1.850 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.040 -16.661 3.552 1.00 0.00 H new ATOM 477 N LYS A 35 7.664 -14.851 3.938 1.00 0.00 N ATOM 478 CA LYS A 35 8.312 -13.900 4.835 1.00 0.00 C ATOM 479 C LYS A 35 8.216 -12.481 4.284 1.00 0.00 C ATOM 480 O LYS A 35 7.650 -12.256 3.215 1.00 0.00 O ATOM 481 CB LYS A 35 9.780 -14.280 5.041 1.00 0.00 C ATOM 482 CG LYS A 35 9.970 -15.625 5.720 1.00 0.00 C ATOM 483 CD LYS A 35 10.093 -15.477 7.228 1.00 0.00 C ATOM 484 CE LYS A 35 8.743 -15.622 7.914 1.00 0.00 C ATOM 485 NZ LYS A 35 8.461 -17.036 8.289 1.00 0.00 N ATOM 0 H LYS A 35 7.835 -14.679 2.947 1.00 0.00 H new ATOM 0 HA LYS A 35 7.796 -13.934 5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.282 -14.297 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.266 -13.509 5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.127 -16.274 5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.864 -16.109 5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.781 -16.229 7.614 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.520 -14.503 7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.721 -14.998 8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.958 -15.258 7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.532 -17.093 8.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.457 -17.628 7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.196 -17.375 8.942 1.00 0.00 H new ATOM 499 N GLY A 36 8.775 -11.526 5.022 1.00 0.00 N ATOM 500 CA GLY A 36 8.741 -10.140 4.590 1.00 0.00 C ATOM 501 C GLY A 36 9.737 -9.855 3.483 1.00 0.00 C ATOM 502 O GLY A 36 10.456 -8.857 3.529 1.00 0.00 O ATOM 0 H GLY A 36 9.250 -11.687 5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.737 -9.895 4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.952 -9.492 5.441 1.00 0.00 H new ATOM 506 N ARG A 37 9.781 -10.734 2.488 1.00 0.00 N ATOM 507 CA ARG A 37 10.699 -10.572 1.365 1.00 0.00 C ATOM 508 C ARG A 37 9.940 -10.212 0.091 1.00 0.00 C ATOM 509 O ARG A 37 10.454 -9.494 -0.767 1.00 0.00 O ATOM 510 CB ARG A 37 11.504 -11.854 1.149 1.00 0.00 C ATOM 511 CG ARG A 37 10.810 -12.863 0.248 1.00 0.00 C ATOM 512 CD ARG A 37 11.708 -14.054 -0.048 1.00 0.00 C ATOM 513 NE ARG A 37 12.162 -14.715 1.173 1.00 0.00 N ATOM 514 CZ ARG A 37 13.084 -15.671 1.192 1.00 0.00 C ATOM 515 NH1 ARG A 37 13.647 -16.076 0.062 1.00 0.00 N ATOM 516 NH2 ARG A 37 13.445 -16.223 2.343 1.00 0.00 N ATOM 0 H ARG A 37 9.193 -11.566 2.435 1.00 0.00 H new ATOM 0 HA ARG A 37 11.384 -9.757 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.471 -11.598 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.700 -12.317 2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.892 -13.207 0.724 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.523 -12.381 -0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.168 -14.770 -0.668 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.572 -13.722 -0.623 1.00 0.00 H new ATOM 0 HE ARG A 37 11.748 -14.427 2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.372 -15.653 -0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.355 -16.810 0.079 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.014 -15.913 3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.153 -16.957 2.357 1.00 0.00 H new ATOM 530 N LEU A 38 8.718 -10.718 -0.026 1.00 0.00 N ATOM 531 CA LEU A 38 7.888 -10.451 -1.196 1.00 0.00 C ATOM 532 C LEU A 38 7.335 -9.030 -1.159 1.00 0.00 C ATOM 533 O LEU A 38 6.967 -8.470 -2.192 1.00 0.00 O ATOM 534 CB LEU A 38 6.738 -11.457 -1.270 1.00 0.00 C ATOM 535 CG LEU A 38 6.197 -11.756 -2.669 1.00 0.00 C ATOM 536 CD1 LEU A 38 7.340 -11.983 -3.647 1.00 0.00 C ATOM 537 CD2 LEU A 38 5.272 -12.964 -2.637 1.00 0.00 C ATOM 0 H LEU A 38 8.279 -11.316 0.675 1.00 0.00 H new ATOM 0 HA LEU A 38 8.511 -10.555 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.072 -12.394 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.917 -11.086 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 38 5.623 -10.893 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.935 -12.194 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.963 -11.090 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.942 -12.828 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.897 -13.162 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.822 -13.834 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.434 -12.763 -1.970 1.00 0.00 H new ATOM 549 N ILE A 39 7.281 -8.453 0.036 1.00 0.00 N ATOM 550 CA ILE A 39 6.776 -7.096 0.207 1.00 0.00 C ATOM 551 C ILE A 39 7.919 -6.088 0.269 1.00 0.00 C ATOM 552 O ILE A 39 7.870 -5.039 -0.373 1.00 0.00 O ATOM 553 CB ILE A 39 5.924 -6.969 1.483 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.475 -7.364 1.197 1.00 0.00 C ATOM 555 CG2 ILE A 39 5.995 -5.551 2.028 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.632 -6.227 0.664 1.00 0.00 C ATOM 0 H ILE A 39 7.581 -8.904 0.901 1.00 0.00 H new ATOM 0 HA ILE A 39 6.151 -6.880 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 39 6.323 -7.647 2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.465 -8.181 0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.022 -7.742 2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.388 -5.477 2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.030 -5.304 2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.619 -4.854 1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.617 -6.580 0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.611 -5.417 1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.060 -5.863 -0.270 1.00 0.00 H new ATOM 568 N ARG A 40 8.948 -6.416 1.044 1.00 0.00 N ATOM 569 CA ARG A 40 10.103 -5.538 1.190 1.00 0.00 C ATOM 570 C ARG A 40 10.680 -5.168 -0.173 1.00 0.00 C ATOM 571 O ARG A 40 11.250 -4.092 -0.346 1.00 0.00 O ATOM 572 CB ARG A 40 11.178 -6.214 2.044 1.00 0.00 C ATOM 573 CG ARG A 40 12.091 -7.138 1.255 1.00 0.00 C ATOM 574 CD ARG A 40 13.003 -7.937 2.174 1.00 0.00 C ATOM 575 NE ARG A 40 14.251 -7.232 2.455 1.00 0.00 N ATOM 576 CZ ARG A 40 14.377 -6.314 3.407 1.00 0.00 C ATOM 577 NH1 ARG A 40 13.338 -5.992 4.165 1.00 0.00 N ATOM 578 NH2 ARG A 40 15.546 -5.716 3.602 1.00 0.00 N ATOM 0 H ARG A 40 9.005 -7.282 1.580 1.00 0.00 H new ATOM 0 HA ARG A 40 9.774 -4.625 1.686 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.782 -5.446 2.527 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.694 -6.785 2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.489 -7.820 0.655 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.694 -6.551 0.562 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.484 -8.143 3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.226 -8.900 1.715 1.00 0.00 H new ATOM 0 HE ARG A 40 15.070 -7.457 1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.438 -6.450 4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.438 -5.287 4.895 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.348 -5.961 3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.643 -5.011 4.333 1.00 0.00 H new ATOM 592 N SER A 41 10.529 -6.070 -1.138 1.00 0.00 N ATOM 593 CA SER A 41 11.038 -5.840 -2.486 1.00 0.00 C ATOM 594 C SER A 41 10.361 -4.631 -3.124 1.00 0.00 C ATOM 595 O SER A 41 11.028 -3.697 -3.569 1.00 0.00 O ATOM 596 CB SER A 41 10.819 -7.080 -3.354 1.00 0.00 C ATOM 597 OG SER A 41 10.979 -6.774 -4.730 1.00 0.00 O ATOM 0 H SER A 41 10.059 -6.966 -1.012 1.00 0.00 H new ATOM 0 HA SER A 41 12.107 -5.639 -2.415 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.526 -7.858 -3.067 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.819 -7.477 -3.180 1.00 0.00 H new ATOM 0 HG SER A 41 10.836 -7.583 -5.264 1.00 0.00 H new ATOM 603 N ILE A 42 9.034 -4.657 -3.164 1.00 0.00 N ATOM 604 CA ILE A 42 8.266 -3.564 -3.747 1.00 0.00 C ATOM 605 C ILE A 42 8.583 -2.242 -3.057 1.00 0.00 C ATOM 606 O ILE A 42 8.720 -1.206 -3.709 1.00 0.00 O ATOM 607 CB ILE A 42 6.751 -3.828 -3.655 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.386 -5.098 -4.426 1.00 0.00 C ATOM 609 CG2 ILE A 42 5.973 -2.635 -4.190 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.146 -5.788 -3.902 1.00 0.00 C ATOM 0 H ILE A 42 8.468 -5.423 -2.800 1.00 0.00 H new ATOM 0 HA ILE A 42 8.552 -3.502 -4.797 1.00 0.00 H new ATOM 0 HB ILE A 42 6.484 -3.971 -2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.235 -4.845 -5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.224 -5.793 -4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.904 -2.836 -4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.216 -1.749 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.241 -2.464 -5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.948 -6.680 -4.496 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.300 -6.072 -2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.296 -5.110 -3.971 1.00 0.00 H new ATOM 622 N MET A 43 8.699 -2.284 -1.733 1.00 0.00 N ATOM 623 CA MET A 43 9.003 -1.089 -0.955 1.00 0.00 C ATOM 624 C MET A 43 10.406 -0.580 -1.266 1.00 0.00 C ATOM 625 O MET A 43 10.656 0.626 -1.252 1.00 0.00 O ATOM 626 CB MET A 43 8.875 -1.383 0.541 1.00 0.00 C ATOM 627 CG MET A 43 7.468 -1.772 0.965 1.00 0.00 C ATOM 628 SD MET A 43 7.208 -1.608 2.742 1.00 0.00 S ATOM 629 CE MET A 43 8.313 -2.872 3.364 1.00 0.00 C ATOM 0 H MET A 43 8.587 -3.132 -1.178 1.00 0.00 H new ATOM 0 HA MET A 43 8.286 -0.315 -1.229 1.00 0.00 H new ATOM 0 HB2 MET A 43 9.561 -2.188 0.805 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.185 -0.503 1.104 1.00 0.00 H new ATOM 0 HG2 MET A 43 6.748 -1.147 0.437 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.275 -2.802 0.667 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.065 -3.093 4.402 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.205 -3.776 2.765 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.342 -2.517 3.304 1.00 0.00 H new ATOM 639 N GLU A 44 11.318 -1.505 -1.548 1.00 0.00 N ATOM 640 CA GLU A 44 12.697 -1.148 -1.861 1.00 0.00 C ATOM 641 C GLU A 44 12.801 -0.561 -3.266 1.00 0.00 C ATOM 642 O GLU A 44 13.214 0.585 -3.442 1.00 0.00 O ATOM 643 CB GLU A 44 13.605 -2.373 -1.740 1.00 0.00 C ATOM 644 CG GLU A 44 15.087 -2.036 -1.757 1.00 0.00 C ATOM 645 CD GLU A 44 15.449 -0.947 -0.766 1.00 0.00 C ATOM 646 OE1 GLU A 44 15.524 -1.246 0.443 1.00 0.00 O ATOM 647 OE2 GLU A 44 15.658 0.204 -1.202 1.00 0.00 O ATOM 0 H GLU A 44 11.127 -2.507 -1.566 1.00 0.00 H new ATOM 0 HA GLU A 44 13.021 -0.393 -1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.371 -2.898 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.387 -3.058 -2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.663 -2.934 -1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.372 -1.719 -2.760 1.00 0.00 H new ATOM 654 N GLU A 45 12.423 -1.356 -4.262 1.00 0.00 N ATOM 655 CA GLU A 45 12.474 -0.915 -5.651 1.00 0.00 C ATOM 656 C GLU A 45 11.759 0.422 -5.826 1.00 0.00 C ATOM 657 O GLU A 45 12.198 1.277 -6.596 1.00 0.00 O ATOM 658 CB GLU A 45 11.843 -1.966 -6.567 1.00 0.00 C ATOM 659 CG GLU A 45 10.353 -2.157 -6.338 1.00 0.00 C ATOM 660 CD GLU A 45 9.739 -3.155 -7.301 1.00 0.00 C ATOM 661 OE1 GLU A 45 9.686 -2.857 -8.512 1.00 0.00 O ATOM 662 OE2 GLU A 45 9.310 -4.234 -6.841 1.00 0.00 O ATOM 0 H GLU A 45 12.079 -2.307 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 45 13.521 -0.786 -5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.008 -1.678 -7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.350 -2.919 -6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.187 -2.495 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.847 -1.197 -6.443 1.00 0.00 H new ATOM 669 N CYS A 46 10.656 0.594 -5.106 1.00 0.00 N ATOM 670 CA CYS A 46 9.879 1.826 -5.181 1.00 0.00 C ATOM 671 C CYS A 46 10.659 2.998 -4.595 1.00 0.00 C ATOM 672 O CYS A 46 10.860 4.015 -5.256 1.00 0.00 O ATOM 673 CB CYS A 46 8.551 1.661 -4.440 1.00 0.00 C ATOM 674 SG CYS A 46 7.323 0.682 -5.336 1.00 0.00 S ATOM 0 H CYS A 46 10.280 -0.104 -4.464 1.00 0.00 H new ATOM 0 HA CYS A 46 9.678 2.036 -6.231 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.741 1.191 -3.475 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.135 2.648 -4.237 1.00 0.00 H new ATOM 0 HG CYS A 46 7.470 -0.575 -5.040 1.00 0.00 H new ATOM 680 N GLY A 47 11.096 2.848 -3.348 1.00 0.00 N ATOM 681 CA GLY A 47 11.848 3.902 -2.694 1.00 0.00 C ATOM 682 C GLY A 47 12.251 3.535 -1.279 1.00 0.00 C ATOM 683 O GLY A 47 13.405 3.710 -0.890 1.00 0.00 O ATOM 0 H GLY A 47 10.942 2.015 -2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.742 4.122 -3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.249 4.812 -2.673 1.00 0.00 H new ATOM 687 N GLY A 48 11.296 3.025 -0.507 1.00 0.00 N ATOM 688 CA GLY A 48 11.577 2.642 0.865 1.00 0.00 C ATOM 689 C GLY A 48 10.417 2.930 1.796 1.00 0.00 C ATOM 690 O GLY A 48 10.616 3.250 2.967 1.00 0.00 O ATOM 0 H GLY A 48 10.333 2.870 -0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.812 1.578 0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.461 3.176 1.214 1.00 0.00 H new ATOM 694 N VAL A 49 9.199 2.816 1.274 1.00 0.00 N ATOM 695 CA VAL A 49 8.001 3.067 2.067 1.00 0.00 C ATOM 696 C VAL A 49 7.790 1.971 3.105 1.00 0.00 C ATOM 697 O VAL A 49 8.414 0.911 3.041 1.00 0.00 O ATOM 698 CB VAL A 49 6.749 3.163 1.177 1.00 0.00 C ATOM 699 CG1 VAL A 49 6.800 4.417 0.316 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.612 1.919 0.312 1.00 0.00 C ATOM 0 H VAL A 49 9.016 2.552 0.306 1.00 0.00 H new ATOM 0 HA VAL A 49 8.151 4.020 2.574 1.00 0.00 H new ATOM 0 HB VAL A 49 5.872 3.228 1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.907 4.468 -0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.846 5.297 0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.684 4.386 -0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.721 2.005 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.491 1.820 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.525 1.040 0.950 1.00 0.00 H new ATOM 710 N HIS A 50 6.905 2.231 4.062 1.00 0.00 N ATOM 711 CA HIS A 50 6.609 1.265 5.115 1.00 0.00 C ATOM 712 C HIS A 50 5.131 0.886 5.104 1.00 0.00 C ATOM 713 O HIS A 50 4.267 1.714 5.393 1.00 0.00 O ATOM 714 CB HIS A 50 6.992 1.836 6.481 1.00 0.00 C ATOM 715 CG HIS A 50 8.431 2.242 6.579 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.221 1.952 7.670 1.00 0.00 N ATOM 717 CD2 HIS A 50 9.221 2.918 5.712 1.00 0.00 C ATOM 718 CE1 HIS A 50 10.435 2.435 7.471 1.00 0.00 C ATOM 719 NE2 HIS A 50 10.461 3.024 6.290 1.00 0.00 N ATOM 0 H HIS A 50 6.380 3.103 4.130 1.00 0.00 H new ATOM 0 HA HIS A 50 7.197 0.367 4.927 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.364 2.701 6.693 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.780 1.092 7.249 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.930 3.302 4.746 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.265 2.360 8.158 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.271 3.483 5.874 1.00 0.00 H new ATOM 727 N ILE A 51 4.850 -0.369 4.770 1.00 0.00 N ATOM 728 CA ILE A 51 3.478 -0.857 4.723 1.00 0.00 C ATOM 729 C ILE A 51 3.068 -1.475 6.055 1.00 0.00 C ATOM 730 O ILE A 51 3.846 -2.194 6.684 1.00 0.00 O ATOM 731 CB ILE A 51 3.289 -1.900 3.606 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.805 -1.352 2.274 1.00 0.00 C ATOM 733 CG2 ILE A 51 1.825 -2.296 3.491 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.055 -2.424 1.235 1.00 0.00 C ATOM 0 H ILE A 51 5.554 -1.066 4.528 1.00 0.00 H new ATOM 0 HA ILE A 51 2.844 0.005 4.515 1.00 0.00 H new ATOM 0 HB ILE A 51 3.866 -2.790 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.082 -0.637 1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.731 -0.805 2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.709 -3.034 2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.488 -2.723 4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.227 -1.415 3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.419 -1.963 0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.800 -3.126 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.126 -2.956 1.030 1.00 0.00 H new ATOM 746 N HIS A 52 1.841 -1.192 6.480 1.00 0.00 N ATOM 747 CA HIS A 52 1.326 -1.723 7.737 1.00 0.00 C ATOM 748 C HIS A 52 0.228 -2.753 7.484 1.00 0.00 C ATOM 749 O HIS A 52 -0.816 -2.434 6.916 1.00 0.00 O ATOM 750 CB HIS A 52 0.786 -0.590 8.611 1.00 0.00 C ATOM 751 CG HIS A 52 1.856 0.298 9.168 1.00 0.00 C ATOM 752 ND1 HIS A 52 2.036 0.502 10.520 1.00 0.00 N ATOM 753 CD2 HIS A 52 2.806 1.036 8.547 1.00 0.00 C ATOM 754 CE1 HIS A 52 3.049 1.329 10.706 1.00 0.00 C ATOM 755 NE2 HIS A 52 3.534 1.668 9.525 1.00 0.00 N ATOM 0 H HIS A 52 1.185 -0.598 5.973 1.00 0.00 H new ATOM 0 HA HIS A 52 2.148 -2.214 8.258 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.094 0.013 8.023 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.215 -1.018 9.435 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.962 1.113 7.481 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.418 1.670 11.662 1.00 0.00 H new ATOM 0 HE2 HIS A 52 4.321 2.297 9.365 1.00 0.00 H new ATOM 763 N PHE A 53 0.473 -3.988 7.909 1.00 0.00 N ATOM 764 CA PHE A 53 -0.493 -5.065 7.727 1.00 0.00 C ATOM 765 C PHE A 53 -1.079 -5.502 9.066 1.00 0.00 C ATOM 766 O PHE A 53 -0.360 -5.827 10.011 1.00 0.00 O ATOM 767 CB PHE A 53 0.166 -6.258 7.032 1.00 0.00 C ATOM 768 CG PHE A 53 0.110 -6.185 5.532 1.00 0.00 C ATOM 769 CD1 PHE A 53 -1.080 -6.412 4.859 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.246 -5.888 4.796 1.00 0.00 C ATOM 771 CE1 PHE A 53 -1.134 -6.346 3.479 1.00 0.00 C ATOM 772 CE2 PHE A 53 1.197 -5.821 3.417 1.00 0.00 C ATOM 773 CZ PHE A 53 0.006 -6.049 2.758 1.00 0.00 C ATOM 0 H PHE A 53 1.332 -4.268 8.382 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.303 -4.691 7.101 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.208 -6.321 7.346 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.322 -7.175 7.362 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.975 -6.643 5.418 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.180 -5.707 5.306 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.067 -6.527 2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.090 -5.590 2.855 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.035 -5.995 1.680 1.00 0.00 H new ATOM 783 N PRO A 54 -2.417 -5.511 9.151 1.00 0.00 N ATOM 784 CA PRO A 54 -3.131 -5.906 10.368 1.00 0.00 C ATOM 785 C PRO A 54 -3.006 -7.399 10.655 1.00 0.00 C ATOM 786 O PRO A 54 -2.669 -8.184 9.771 1.00 0.00 O ATOM 787 CB PRO A 54 -4.586 -5.541 10.062 1.00 0.00 C ATOM 788 CG PRO A 54 -4.681 -5.579 8.575 1.00 0.00 C ATOM 789 CD PRO A 54 -3.337 -5.136 8.063 1.00 0.00 C ATOM 0 HA PRO A 54 -2.731 -5.411 11.253 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.277 -6.248 10.521 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.837 -4.554 10.450 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.921 -6.583 8.225 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.472 -4.919 8.217 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.079 -5.634 7.129 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.314 -4.064 7.869 1.00 0.00 H new ATOM 797 N VAL A 55 -3.279 -7.782 11.899 1.00 0.00 N ATOM 798 CA VAL A 55 -3.198 -9.181 12.302 1.00 0.00 C ATOM 799 C VAL A 55 -4.507 -9.910 12.023 1.00 0.00 C ATOM 800 O VAL A 55 -5.585 -9.423 12.364 1.00 0.00 O ATOM 801 CB VAL A 55 -2.857 -9.315 13.798 1.00 0.00 C ATOM 802 CG1 VAL A 55 -2.693 -10.778 14.179 1.00 0.00 C ATOM 803 CG2 VAL A 55 -1.601 -8.524 14.131 1.00 0.00 C ATOM 0 H VAL A 55 -3.558 -7.144 12.644 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.401 -9.634 11.713 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.682 -8.904 14.379 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.452 -10.853 15.239 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.622 -11.312 13.979 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.887 -11.219 13.592 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.375 -8.630 15.192 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.766 -8.903 13.542 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.761 -7.471 13.898 1.00 0.00 H new ATOM 813 N GLU A 56 -4.406 -11.080 11.400 1.00 0.00 N ATOM 814 CA GLU A 56 -5.583 -11.876 11.075 1.00 0.00 C ATOM 815 C GLU A 56 -6.524 -11.971 12.273 1.00 0.00 C ATOM 816 O GLU A 56 -7.709 -11.660 12.171 1.00 0.00 O ATOM 817 CB GLU A 56 -5.170 -13.279 10.625 1.00 0.00 C ATOM 818 CG GLU A 56 -4.071 -13.283 9.576 1.00 0.00 C ATOM 819 CD GLU A 56 -2.683 -13.276 10.185 1.00 0.00 C ATOM 820 OE1 GLU A 56 -2.215 -14.353 10.608 1.00 0.00 O ATOM 821 OE2 GLU A 56 -2.064 -12.192 10.238 1.00 0.00 O ATOM 0 H GLU A 56 -3.521 -11.497 11.111 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.110 -11.381 10.259 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.834 -13.846 11.493 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.043 -13.795 10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.181 -14.163 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.185 -12.411 8.932 1.00 0.00 H new ATOM 828 N GLY A 57 -5.984 -12.404 13.409 1.00 0.00 N ATOM 829 CA GLY A 57 -6.788 -12.532 14.610 1.00 0.00 C ATOM 830 C GLY A 57 -7.837 -11.444 14.726 1.00 0.00 C ATOM 831 O GLY A 57 -9.023 -11.729 14.888 1.00 0.00 O ATOM 0 H GLY A 57 -5.005 -12.668 13.518 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.278 -13.506 14.613 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.137 -12.499 15.484 1.00 0.00 H new ATOM 835 N SER A 58 -7.399 -10.191 14.644 1.00 0.00 N ATOM 836 CA SER A 58 -8.308 -9.055 14.747 1.00 0.00 C ATOM 837 C SER A 58 -9.401 -9.138 13.685 1.00 0.00 C ATOM 838 O SER A 58 -10.569 -9.363 13.998 1.00 0.00 O ATOM 839 CB SER A 58 -7.536 -7.743 14.599 1.00 0.00 C ATOM 840 OG SER A 58 -8.355 -6.631 14.917 1.00 0.00 O ATOM 0 H SER A 58 -6.421 -9.937 14.507 1.00 0.00 H new ATOM 0 HA SER A 58 -8.777 -9.083 15.730 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.664 -7.755 15.252 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.168 -7.647 13.578 1.00 0.00 H new ATOM 0 HG SER A 58 -7.838 -5.805 14.816 1.00 0.00 H new ATOM 846 N GLY A 59 -9.011 -8.951 12.427 1.00 0.00 N ATOM 847 CA GLY A 59 -9.968 -9.007 11.338 1.00 0.00 C ATOM 848 C GLY A 59 -10.057 -7.700 10.576 1.00 0.00 C ATOM 849 O GLY A 59 -11.145 -7.267 10.196 1.00 0.00 O ATOM 0 H GLY A 59 -8.050 -8.762 12.143 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.686 -9.806 10.652 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.951 -9.260 11.735 1.00 0.00 H new ATOM 853 N SER A 60 -8.909 -7.068 10.353 1.00 0.00 N ATOM 854 CA SER A 60 -8.861 -5.800 9.635 1.00 0.00 C ATOM 855 C SER A 60 -8.359 -6.001 8.209 1.00 0.00 C ATOM 856 O SER A 60 -7.215 -6.404 7.993 1.00 0.00 O ATOM 857 CB SER A 60 -7.959 -4.807 10.371 1.00 0.00 C ATOM 858 OG SER A 60 -7.872 -3.580 9.669 1.00 0.00 O ATOM 0 H SER A 60 -8.000 -7.414 10.659 1.00 0.00 H new ATOM 0 HA SER A 60 -9.873 -5.397 9.591 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.350 -4.629 11.373 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.963 -5.234 10.488 1.00 0.00 H new ATOM 0 HG SER A 60 -7.291 -2.962 10.161 1.00 0.00 H new ATOM 864 N ASP A 61 -9.220 -5.716 7.239 1.00 0.00 N ATOM 865 CA ASP A 61 -8.865 -5.864 5.833 1.00 0.00 C ATOM 866 C ASP A 61 -8.365 -4.542 5.257 1.00 0.00 C ATOM 867 O ASP A 61 -8.701 -4.176 4.130 1.00 0.00 O ATOM 868 CB ASP A 61 -10.067 -6.362 5.030 1.00 0.00 C ATOM 869 CG ASP A 61 -10.748 -7.549 5.683 1.00 0.00 C ATOM 870 OD1 ASP A 61 -11.497 -7.340 6.660 1.00 0.00 O ATOM 871 OD2 ASP A 61 -10.532 -8.686 5.216 1.00 0.00 O ATOM 0 H ASP A 61 -10.170 -5.381 7.401 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.062 -6.598 5.762 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.786 -5.551 4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.741 -6.640 4.028 1.00 0.00 H new ATOM 876 N THR A 62 -7.559 -3.829 6.038 1.00 0.00 N ATOM 877 CA THR A 62 -7.015 -2.547 5.608 1.00 0.00 C ATOM 878 C THR A 62 -5.491 -2.560 5.636 1.00 0.00 C ATOM 879 O THR A 62 -4.881 -3.234 6.466 1.00 0.00 O ATOM 880 CB THR A 62 -7.524 -1.395 6.494 1.00 0.00 C ATOM 881 OG1 THR A 62 -8.946 -1.277 6.377 1.00 0.00 O ATOM 882 CG2 THR A 62 -6.868 -0.080 6.100 1.00 0.00 C ATOM 0 H THR A 62 -7.269 -4.118 6.972 1.00 0.00 H new ATOM 0 HA THR A 62 -7.356 -2.386 4.585 1.00 0.00 H new ATOM 0 HB THR A 62 -7.263 -1.619 7.528 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.261 -0.543 6.945 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.243 0.719 6.739 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.788 -0.163 6.218 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.103 0.147 5.060 1.00 0.00 H new ATOM 890 N VAL A 63 -4.880 -1.812 4.723 1.00 0.00 N ATOM 891 CA VAL A 63 -3.426 -1.735 4.643 1.00 0.00 C ATOM 892 C VAL A 63 -2.957 -0.288 4.556 1.00 0.00 C ATOM 893 O VAL A 63 -3.078 0.354 3.513 1.00 0.00 O ATOM 894 CB VAL A 63 -2.890 -2.513 3.428 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.372 -2.425 3.367 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.346 -3.963 3.479 1.00 0.00 C ATOM 0 H VAL A 63 -5.370 -1.250 4.027 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.033 -2.186 5.554 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.294 -2.062 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.010 -2.981 2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.071 -1.381 3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.946 -2.850 4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.957 -4.497 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.973 -4.430 4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.435 -4.002 3.471 1.00 0.00 H new ATOM 906 N VAL A 64 -2.418 0.221 5.660 1.00 0.00 N ATOM 907 CA VAL A 64 -1.926 1.593 5.707 1.00 0.00 C ATOM 908 C VAL A 64 -0.464 1.669 5.282 1.00 0.00 C ATOM 909 O VAL A 64 0.384 0.946 5.807 1.00 0.00 O ATOM 910 CB VAL A 64 -2.070 2.192 7.120 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.508 3.605 7.160 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.526 2.176 7.559 1.00 0.00 C ATOM 0 H VAL A 64 -2.311 -0.296 6.533 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.534 2.171 5.010 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.498 1.579 7.816 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.618 4.012 8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.452 3.584 6.891 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.051 4.233 6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.609 2.602 8.559 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.123 2.765 6.862 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.891 1.149 7.571 1.00 0.00 H new ATOM 922 N ILE A 65 -0.176 2.547 4.329 1.00 0.00 N ATOM 923 CA ILE A 65 1.184 2.719 3.833 1.00 0.00 C ATOM 924 C ILE A 65 1.728 4.099 4.184 1.00 0.00 C ATOM 925 O ILE A 65 1.014 5.099 4.095 1.00 0.00 O ATOM 926 CB ILE A 65 1.257 2.523 2.308 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.619 1.189 1.911 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.701 2.586 1.833 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.560 0.968 0.417 1.00 0.00 C ATOM 0 H ILE A 65 -0.867 3.151 3.884 1.00 0.00 H new ATOM 0 HA ILE A 65 1.794 1.957 4.318 1.00 0.00 H new ATOM 0 HB ILE A 65 0.701 3.328 1.828 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.183 0.376 2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.392 1.144 2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.735 2.446 0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.125 3.558 2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.279 1.800 2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.096 0.004 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.029 1.760 -0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.570 0.980 0.007 1.00 0.00 H new ATOM 941 N ARG A 66 2.995 4.148 4.579 1.00 0.00 N ATOM 942 CA ARG A 66 3.634 5.407 4.943 1.00 0.00 C ATOM 943 C ARG A 66 4.881 5.648 4.097 1.00 0.00 C ATOM 944 O ARG A 66 5.553 4.705 3.681 1.00 0.00 O ATOM 945 CB ARG A 66 4.005 5.406 6.428 1.00 0.00 C ATOM 946 CG ARG A 66 2.904 5.936 7.331 1.00 0.00 C ATOM 947 CD ARG A 66 2.993 5.337 8.726 1.00 0.00 C ATOM 948 NE ARG A 66 4.133 5.860 9.475 1.00 0.00 N ATOM 949 CZ ARG A 66 4.208 7.107 9.923 1.00 0.00 C ATOM 950 NH1 ARG A 66 3.214 7.957 9.701 1.00 0.00 N ATOM 951 NH2 ARG A 66 5.279 7.509 10.596 1.00 0.00 N ATOM 0 H ARG A 66 3.600 3.330 4.655 1.00 0.00 H new ATOM 0 HA ARG A 66 2.925 6.213 4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.254 4.389 6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.902 6.009 6.570 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.975 7.022 7.395 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.932 5.705 6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.073 5.549 9.271 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.076 4.253 8.650 1.00 0.00 H new ATOM 0 HE ARG A 66 4.914 5.232 9.664 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.389 7.653 9.185 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.275 8.915 10.047 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.046 6.859 10.769 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.335 8.468 10.940 1.00 0.00 H new ATOM 965 N GLY A 67 5.183 6.918 3.844 1.00 0.00 N ATOM 966 CA GLY A 67 6.347 7.260 3.049 1.00 0.00 C ATOM 967 C GLY A 67 6.051 8.332 2.019 1.00 0.00 C ATOM 968 O GLY A 67 4.990 8.956 2.029 1.00 0.00 O ATOM 0 H GLY A 67 4.642 7.716 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.145 7.604 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.713 6.366 2.544 1.00 0.00 H new ATOM 972 N PRO A 68 7.006 8.560 1.105 1.00 0.00 N ATOM 973 CA PRO A 68 6.866 9.566 0.048 1.00 0.00 C ATOM 974 C PRO A 68 5.826 9.171 -0.995 1.00 0.00 C ATOM 975 O PRO A 68 5.956 8.139 -1.654 1.00 0.00 O ATOM 976 CB PRO A 68 8.261 9.617 -0.580 1.00 0.00 C ATOM 977 CG PRO A 68 8.854 8.281 -0.296 1.00 0.00 C ATOM 978 CD PRO A 68 8.296 7.855 1.034 1.00 0.00 C ATOM 0 HA PRO A 68 6.525 10.524 0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.206 9.806 -1.652 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.861 10.417 -0.146 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.594 7.565 -1.076 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.942 8.336 -0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.166 6.774 1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.954 8.138 1.855 1.00 0.00 H new ATOM 986 N SER A 69 4.795 9.996 -1.138 1.00 0.00 N ATOM 987 CA SER A 69 3.731 9.730 -2.099 1.00 0.00 C ATOM 988 C SER A 69 4.289 9.078 -3.361 1.00 0.00 C ATOM 989 O SER A 69 3.912 7.961 -3.715 1.00 0.00 O ATOM 990 CB SER A 69 3.004 11.028 -2.461 1.00 0.00 C ATOM 991 OG SER A 69 3.919 12.022 -2.885 1.00 0.00 O ATOM 0 H SER A 69 4.673 10.855 -0.601 1.00 0.00 H new ATOM 0 HA SER A 69 3.023 9.042 -1.638 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.280 10.835 -3.252 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.445 11.388 -1.598 1.00 0.00 H new ATOM 0 HG SER A 69 3.431 12.841 -3.112 1.00 0.00 H new ATOM 997 N SER A 70 5.189 9.786 -4.036 1.00 0.00 N ATOM 998 CA SER A 70 5.797 9.280 -5.261 1.00 0.00 C ATOM 999 C SER A 70 5.983 7.766 -5.189 1.00 0.00 C ATOM 1000 O SER A 70 5.711 7.050 -6.154 1.00 0.00 O ATOM 1001 CB SER A 70 7.146 9.959 -5.505 1.00 0.00 C ATOM 1002 OG SER A 70 6.984 11.351 -5.719 1.00 0.00 O ATOM 0 H SER A 70 5.513 10.711 -3.755 1.00 0.00 H new ATOM 0 HA SER A 70 5.128 9.509 -6.091 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.801 9.793 -4.649 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.632 9.509 -6.370 1.00 0.00 H new ATOM 0 HG SER A 70 7.860 11.763 -5.871 1.00 0.00 H new ATOM 1008 N ASP A 71 6.450 7.288 -4.041 1.00 0.00 N ATOM 1009 CA ASP A 71 6.672 5.861 -3.842 1.00 0.00 C ATOM 1010 C ASP A 71 5.377 5.160 -3.440 1.00 0.00 C ATOM 1011 O ASP A 71 5.059 4.083 -3.946 1.00 0.00 O ATOM 1012 CB ASP A 71 7.742 5.634 -2.773 1.00 0.00 C ATOM 1013 CG ASP A 71 7.958 4.163 -2.472 1.00 0.00 C ATOM 1014 OD1 ASP A 71 6.969 3.401 -2.503 1.00 0.00 O ATOM 1015 OD2 ASP A 71 9.115 3.776 -2.208 1.00 0.00 O ATOM 0 H ASP A 71 6.682 7.868 -3.234 1.00 0.00 H new ATOM 0 HA ASP A 71 7.016 5.437 -4.785 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.682 6.076 -3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.452 6.150 -1.858 1.00 0.00 H new ATOM 1020 N VAL A 72 4.636 5.777 -2.526 1.00 0.00 N ATOM 1021 CA VAL A 72 3.376 5.213 -2.055 1.00 0.00 C ATOM 1022 C VAL A 72 2.461 4.863 -3.223 1.00 0.00 C ATOM 1023 O VAL A 72 2.051 3.714 -3.380 1.00 0.00 O ATOM 1024 CB VAL A 72 2.642 6.188 -1.114 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.339 5.574 -0.622 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.535 6.573 0.055 1.00 0.00 C ATOM 0 H VAL A 72 4.886 6.668 -2.096 1.00 0.00 H new ATOM 0 HA VAL A 72 3.621 4.305 -1.505 1.00 0.00 H new ATOM 0 HB VAL A 72 2.402 7.094 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.834 6.276 0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.696 5.353 -1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.553 4.653 -0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.001 7.262 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.807 5.678 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.438 7.055 -0.320 1.00 0.00 H new ATOM 1036 N GLU A 73 2.143 5.865 -4.039 1.00 0.00 N ATOM 1037 CA GLU A 73 1.275 5.662 -5.192 1.00 0.00 C ATOM 1038 C GLU A 73 1.676 4.406 -5.962 1.00 0.00 C ATOM 1039 O GLU A 73 0.826 3.616 -6.371 1.00 0.00 O ATOM 1040 CB GLU A 73 1.327 6.879 -6.118 1.00 0.00 C ATOM 1041 CG GLU A 73 2.587 6.946 -6.965 1.00 0.00 C ATOM 1042 CD GLU A 73 2.787 8.304 -7.607 1.00 0.00 C ATOM 1043 OE1 GLU A 73 2.650 9.323 -6.897 1.00 0.00 O ATOM 1044 OE2 GLU A 73 3.082 8.350 -8.819 1.00 0.00 O ATOM 0 H GLU A 73 2.473 6.823 -3.922 1.00 0.00 H new ATOM 0 HA GLU A 73 0.256 5.534 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.458 6.862 -6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.255 7.786 -5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.451 6.712 -6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.538 6.184 -7.743 1.00 0.00 H new ATOM 1051 N LYS A 74 2.979 4.230 -6.156 1.00 0.00 N ATOM 1052 CA LYS A 74 3.495 3.072 -6.876 1.00 0.00 C ATOM 1053 C LYS A 74 3.326 1.799 -6.051 1.00 0.00 C ATOM 1054 O LYS A 74 2.929 0.759 -6.574 1.00 0.00 O ATOM 1055 CB LYS A 74 4.973 3.276 -7.220 1.00 0.00 C ATOM 1056 CG LYS A 74 5.216 4.402 -8.209 1.00 0.00 C ATOM 1057 CD LYS A 74 6.701 4.645 -8.423 1.00 0.00 C ATOM 1058 CE LYS A 74 6.945 5.706 -9.487 1.00 0.00 C ATOM 1059 NZ LYS A 74 6.918 7.081 -8.916 1.00 0.00 N ATOM 0 H LYS A 74 3.697 4.875 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 74 2.925 2.965 -7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.526 3.483 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.373 2.349 -7.631 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.745 4.159 -9.162 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.746 5.315 -7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.159 4.958 -7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.184 3.714 -8.719 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.910 5.529 -9.962 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.187 5.621 -10.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.341 7.698 -9.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.507 7.052 -7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.887 7.455 -8.865 1.00 0.00 H new ATOM 1073 N ALA A 75 3.630 1.891 -4.761 1.00 0.00 N ATOM 1074 CA ALA A 75 3.508 0.748 -3.864 1.00 0.00 C ATOM 1075 C ALA A 75 2.063 0.269 -3.780 1.00 0.00 C ATOM 1076 O ALA A 75 1.802 -0.914 -3.565 1.00 0.00 O ATOM 1077 CB ALA A 75 4.030 1.105 -2.481 1.00 0.00 C ATOM 0 H ALA A 75 3.963 2.745 -4.313 1.00 0.00 H new ATOM 0 HA ALA A 75 4.110 -0.066 -4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.933 0.243 -1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.079 1.392 -2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.453 1.937 -2.078 1.00 0.00 H new ATOM 1083 N LYS A 76 1.127 1.196 -3.949 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.293 0.869 -3.892 1.00 0.00 C ATOM 1085 C LYS A 76 -0.734 0.135 -5.154 1.00 0.00 C ATOM 1086 O LYS A 76 -1.325 -0.942 -5.085 1.00 0.00 O ATOM 1087 CB LYS A 76 -1.124 2.142 -3.713 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.623 1.899 -3.739 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.388 3.166 -4.083 1.00 0.00 C ATOM 1090 CE LYS A 76 -4.800 3.135 -3.519 1.00 0.00 C ATOM 1091 NZ LYS A 76 -5.504 4.433 -3.713 1.00 0.00 N ATOM 0 H LYS A 76 1.326 2.180 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.455 0.213 -3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.857 2.610 -2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.865 2.849 -4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.854 1.124 -4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.949 1.529 -2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.856 4.032 -3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.430 3.284 -5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.367 2.339 -4.002 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.761 2.898 -2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.463 4.371 -3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.977 5.189 -3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.564 4.647 -4.729 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.441 0.725 -6.309 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.803 0.127 -7.588 1.00 0.00 C ATOM 1107 C LYS A 77 -0.145 -1.238 -7.757 1.00 0.00 C ATOM 1108 O LYS A 77 -0.670 -2.109 -8.451 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.393 1.048 -8.739 1.00 0.00 C ATOM 1110 CG LYS A 77 1.022 0.809 -9.235 1.00 0.00 C ATOM 1111 CD LYS A 77 1.344 1.675 -10.442 1.00 0.00 C ATOM 1112 CE LYS A 77 2.845 1.865 -10.606 1.00 0.00 C ATOM 1113 NZ LYS A 77 3.166 2.799 -11.721 1.00 0.00 N ATOM 0 H LYS A 77 0.047 1.618 -6.385 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.885 -0.006 -7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.087 0.911 -9.568 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.485 2.084 -8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.730 1.022 -8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.144 -0.242 -9.497 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.934 1.215 -11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.863 2.647 -10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.266 2.250 -9.677 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.315 0.900 -10.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.198 2.903 -11.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.786 2.420 -12.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.739 3.728 -11.530 1.00 0.00 H new ATOM 1127 N GLN A 78 1.004 -1.419 -7.115 1.00 0.00 N ATOM 1128 CA GLN A 78 1.734 -2.680 -7.194 1.00 0.00 C ATOM 1129 C GLN A 78 1.069 -3.746 -6.331 1.00 0.00 C ATOM 1130 O GLN A 78 0.992 -4.914 -6.718 1.00 0.00 O ATOM 1131 CB GLN A 78 3.185 -2.483 -6.755 1.00 0.00 C ATOM 1132 CG GLN A 78 4.074 -1.894 -7.840 1.00 0.00 C ATOM 1133 CD GLN A 78 5.522 -2.319 -7.701 1.00 0.00 C ATOM 1134 OE1 GLN A 78 5.845 -3.504 -7.786 1.00 0.00 O ATOM 1135 NE2 GLN A 78 6.406 -1.350 -7.485 1.00 0.00 N ATOM 0 H GLN A 78 1.450 -0.709 -6.534 1.00 0.00 H new ATOM 0 HA GLN A 78 1.720 -3.016 -8.231 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.207 -1.828 -5.884 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.595 -3.443 -6.442 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.701 -2.202 -8.817 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.013 -0.806 -7.804 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.095 -0.381 -7.421 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.395 -1.576 -7.383 1.00 0.00 H new ATOM 1144 N LEU A 79 0.591 -3.340 -5.159 1.00 0.00 N ATOM 1145 CA LEU A 79 -0.067 -4.263 -4.240 1.00 0.00 C ATOM 1146 C LEU A 79 -1.400 -4.739 -4.809 1.00 0.00 C ATOM 1147 O LEU A 79 -1.736 -5.922 -4.725 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.289 -3.590 -2.884 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.276 -4.514 -1.667 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.132 -4.639 -1.105 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -1.234 -4.005 -0.600 1.00 0.00 C ATOM 0 H LEU A 79 0.647 -2.379 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 79 0.580 -5.130 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.481 -2.831 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.247 -3.071 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.608 -5.503 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.121 -5.301 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.793 -5.051 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.493 -3.655 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.211 -4.676 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.933 -3.005 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.245 -3.969 -1.006 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.156 -3.812 -5.387 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.452 -4.138 -5.971 1.00 0.00 C ATOM 1165 C LEU A 80 -3.303 -5.162 -7.092 1.00 0.00 C ATOM 1166 O LEU A 80 -4.025 -6.158 -7.137 1.00 0.00 O ATOM 1167 CB LEU A 80 -4.124 -2.872 -6.508 1.00 0.00 C ATOM 1168 CG LEU A 80 -5.018 -2.118 -5.524 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -4.203 -1.114 -4.724 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -6.153 -1.422 -6.260 1.00 0.00 C ATOM 0 H LEU A 80 -1.894 -2.829 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.076 -4.571 -5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.347 -2.192 -6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.723 -3.143 -7.377 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.451 -2.839 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.856 -0.587 -4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.427 -1.638 -4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.741 -0.397 -5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.779 -0.890 -5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.740 -0.713 -6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.754 -2.163 -6.787 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.359 -4.912 -7.994 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.112 -5.814 -9.112 1.00 0.00 C ATOM 1184 C HIS A 81 -1.800 -7.223 -8.616 1.00 0.00 C ATOM 1185 O HIS A 81 -2.472 -8.186 -8.986 1.00 0.00 O ATOM 1186 CB HIS A 81 -0.957 -5.294 -9.969 1.00 0.00 C ATOM 1187 CG HIS A 81 -0.949 -5.845 -11.362 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -2.035 -5.768 -12.207 1.00 0.00 N ATOM 1189 CD2 HIS A 81 0.022 -6.482 -12.056 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -1.733 -6.337 -13.362 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -0.490 -6.777 -13.296 1.00 0.00 N ATOM 0 H HIS A 81 -1.753 -4.092 -7.972 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.016 -5.855 -9.720 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.013 -4.207 -10.018 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.014 -5.544 -9.483 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.015 -6.715 -11.701 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.391 -6.426 -14.214 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.009 -7.258 -14.044 1.00 0.00 H new ATOM 1199 N LEU A 82 -0.775 -7.335 -7.778 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.373 -8.627 -7.231 1.00 0.00 C ATOM 1201 C LEU A 82 -1.526 -9.282 -6.479 1.00 0.00 C ATOM 1202 O LEU A 82 -1.923 -10.406 -6.787 1.00 0.00 O ATOM 1203 CB LEU A 82 0.827 -8.456 -6.300 1.00 0.00 C ATOM 1204 CG LEU A 82 2.060 -7.788 -6.909 1.00 0.00 C ATOM 1205 CD1 LEU A 82 3.059 -7.416 -5.822 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.708 -8.701 -7.940 1.00 0.00 C ATOM 0 H LEU A 82 -0.208 -6.548 -7.463 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.092 -9.275 -8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.511 -7.871 -5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.117 -9.439 -5.930 1.00 0.00 H new ATOM 0 HG LEU A 82 1.742 -6.874 -7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.930 -6.942 -6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.593 -6.724 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.371 -8.315 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.584 -8.209 -8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.011 -9.633 -7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.994 -8.917 -8.735 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.061 -8.572 -5.491 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.172 -9.083 -4.697 1.00 0.00 C ATOM 1220 C ALA A 83 -4.107 -9.937 -5.547 1.00 0.00 C ATOM 1221 O ALA A 83 -4.370 -11.095 -5.225 1.00 0.00 O ATOM 1222 CB ALA A 83 -3.937 -7.934 -4.059 1.00 0.00 C ATOM 0 H ALA A 83 -1.743 -7.641 -5.221 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.763 -9.714 -3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.764 -8.330 -3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.268 -7.367 -3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.328 -7.280 -4.838 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.607 -9.357 -6.633 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.515 -10.065 -7.529 1.00 0.00 C ATOM 1230 C GLU A 84 -4.791 -11.197 -8.253 1.00 0.00 C ATOM 1231 O GLU A 84 -5.270 -12.330 -8.287 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.121 -9.098 -8.547 1.00 0.00 C ATOM 1233 CG GLU A 84 -7.128 -8.132 -7.946 1.00 0.00 C ATOM 1234 CD GLU A 84 -8.406 -8.820 -7.506 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -8.814 -9.795 -8.172 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -8.996 -8.384 -6.496 1.00 0.00 O ATOM 0 H GLU A 84 -4.399 -8.399 -6.914 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.316 -10.495 -6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.319 -8.528 -9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.607 -9.672 -9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.677 -7.629 -7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.368 -7.361 -8.678 1.00 0.00 H new ATOM 1243 N GLU A 85 -3.637 -10.879 -8.831 1.00 0.00 N ATOM 1244 CA GLU A 85 -2.849 -11.869 -9.556 1.00 0.00 C ATOM 1245 C GLU A 85 -2.781 -13.182 -8.782 1.00 0.00 C ATOM 1246 O GLU A 85 -3.185 -14.232 -9.281 1.00 0.00 O ATOM 1247 CB GLU A 85 -1.436 -11.340 -9.810 1.00 0.00 C ATOM 1248 CG GLU A 85 -1.349 -10.377 -10.983 1.00 0.00 C ATOM 1249 CD GLU A 85 0.016 -10.384 -11.643 1.00 0.00 C ATOM 1250 OE1 GLU A 85 1.003 -10.725 -10.959 1.00 0.00 O ATOM 1251 OE2 GLU A 85 0.097 -10.048 -12.843 1.00 0.00 O ATOM 0 H GLU A 85 -3.227 -9.945 -8.811 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.337 -12.056 -10.513 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.078 -10.838 -8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.769 -12.182 -9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.107 -10.640 -11.721 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.577 -9.368 -10.638 1.00 0.00 H new ATOM 1258 N LYS A 86 -2.266 -13.116 -7.560 1.00 0.00 N ATOM 1259 CA LYS A 86 -2.144 -14.298 -6.715 1.00 0.00 C ATOM 1260 C LYS A 86 -3.407 -15.149 -6.784 1.00 0.00 C ATOM 1261 O LYS A 86 -3.352 -16.333 -7.115 1.00 0.00 O ATOM 1262 CB LYS A 86 -1.870 -13.889 -5.266 1.00 0.00 C ATOM 1263 CG LYS A 86 -0.394 -13.743 -4.943 1.00 0.00 C ATOM 1264 CD LYS A 86 0.176 -12.453 -5.509 1.00 0.00 C ATOM 1265 CE LYS A 86 1.544 -12.143 -4.921 1.00 0.00 C ATOM 1266 NZ LYS A 86 2.558 -13.165 -5.303 1.00 0.00 N ATOM 0 H LYS A 86 -1.926 -12.255 -7.132 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.307 -14.891 -7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.373 -12.943 -5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.307 -14.632 -4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.254 -13.760 -3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.154 -14.593 -5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.255 -12.534 -6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.507 -11.629 -5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.872 -11.161 -5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.469 -12.094 -3.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.509 -12.747 -5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.499 -13.973 -4.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.375 -13.490 -6.274 1.00 0.00 H new