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 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 : +bothHN:sc= -6.18! C(o=-6.2!,f=-6.1!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 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 -65:sc= -0.0139 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot -24:sc= -5.42! USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.627 F(o=-2.6,f=-0.63) USER MOD Single : A 52 HIS : no HD1:sc= -0.0588 X(o=-0.059,f=-0.24) 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 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -158:sc= -0.0461 (180deg=-0.288) 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 78 GLN : amide:sc= -0.31 X(o=-0.31,f=0.12) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 5.165 12.933 5.377 1.00 0.00 N ATOM 191 CA ILE A 16 4.780 11.564 5.060 1.00 0.00 C ATOM 192 C ILE A 16 3.347 11.499 4.544 1.00 0.00 C ATOM 193 O ILE A 16 2.475 12.230 5.012 1.00 0.00 O ATOM 194 CB ILE A 16 4.914 10.643 6.288 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.369 10.592 6.758 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.408 9.246 5.960 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.319 10.027 5.725 1.00 0.00 C ATOM 0 HA ILE A 16 5.459 11.219 4.280 1.00 0.00 H new ATOM 0 HB ILE A 16 4.305 11.048 7.096 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.692 11.599 7.024 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.429 9.988 7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.509 8.607 6.837 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.359 9.298 5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.993 8.831 5.139 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.332 10.021 6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.022 9.008 5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.289 10.644 4.827 1.00 0.00 H new ATOM 209 N ALA A 17 3.111 10.618 3.577 1.00 0.00 N ATOM 210 CA ALA A 17 1.783 10.456 3.000 1.00 0.00 C ATOM 211 C ALA A 17 1.192 9.096 3.357 1.00 0.00 C ATOM 212 O ALA A 17 1.676 8.061 2.901 1.00 0.00 O ATOM 213 CB ALA A 17 1.839 10.629 1.489 1.00 0.00 C ATOM 0 H ALA A 17 3.822 10.006 3.177 1.00 0.00 H new ATOM 0 HA ALA A 17 1.135 11.226 3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.840 10.505 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.211 11.625 1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.506 9.880 1.062 1.00 0.00 H new ATOM 219 N GLU A 18 0.144 9.107 4.174 1.00 0.00 N ATOM 220 CA GLU A 18 -0.511 7.874 4.593 1.00 0.00 C ATOM 221 C GLU A 18 -1.627 7.493 3.623 1.00 0.00 C ATOM 222 O GLU A 18 -2.628 8.199 3.506 1.00 0.00 O ATOM 223 CB GLU A 18 -1.078 8.025 6.007 1.00 0.00 C ATOM 224 CG GLU A 18 -1.724 6.758 6.542 1.00 0.00 C ATOM 225 CD GLU A 18 -3.175 6.622 6.126 1.00 0.00 C ATOM 226 OE1 GLU A 18 -4.049 7.160 6.840 1.00 0.00 O ATOM 227 OE2 GLU A 18 -3.439 5.978 5.089 1.00 0.00 O ATOM 0 H GLU A 18 -0.270 9.956 4.559 1.00 0.00 H new ATOM 0 HA GLU A 18 0.235 7.079 4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.276 8.326 6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.815 8.828 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.165 5.892 6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.660 6.754 7.630 1.00 0.00 H new ATOM 234 N VAL A 19 -1.445 6.374 2.930 1.00 0.00 N ATOM 235 CA VAL A 19 -2.435 5.899 1.972 1.00 0.00 C ATOM 236 C VAL A 19 -2.669 4.400 2.120 1.00 0.00 C ATOM 237 O VAL A 19 -1.803 3.590 1.788 1.00 0.00 O ATOM 238 CB VAL A 19 -2.002 6.199 0.524 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.008 5.625 -0.463 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.836 7.696 0.318 1.00 0.00 C ATOM 0 H VAL A 19 -0.621 5.779 3.014 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.362 6.431 2.185 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.039 5.722 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.686 5.846 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.073 4.545 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.986 6.072 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.530 7.890 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.783 8.198 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.076 8.075 1.001 1.00 0.00 H new ATOM 250 N GLU A 20 -3.845 4.037 2.621 1.00 0.00 N ATOM 251 CA GLU A 20 -4.192 2.634 2.815 1.00 0.00 C ATOM 252 C GLU A 20 -5.073 2.130 1.675 1.00 0.00 C ATOM 253 O GLU A 20 -5.689 2.917 0.957 1.00 0.00 O ATOM 254 CB GLU A 20 -4.912 2.442 4.152 1.00 0.00 C ATOM 255 CG GLU A 20 -6.243 3.168 4.236 1.00 0.00 C ATOM 256 CD GLU A 20 -6.974 2.897 5.537 1.00 0.00 C ATOM 257 OE1 GLU A 20 -6.366 3.087 6.611 1.00 0.00 O ATOM 258 OE2 GLU A 20 -8.155 2.495 5.480 1.00 0.00 O ATOM 0 H GLU A 20 -4.573 4.694 2.900 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.268 2.056 2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.078 1.377 4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.265 2.792 4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.075 4.240 4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.872 2.863 3.400 1.00 0.00 H new ATOM 265 N VAL A 21 -5.127 0.812 1.515 1.00 0.00 N ATOM 266 CA VAL A 21 -5.932 0.200 0.463 1.00 0.00 C ATOM 267 C VAL A 21 -6.705 -1.002 0.992 1.00 0.00 C ATOM 268 O VAL A 21 -6.229 -1.722 1.870 1.00 0.00 O ATOM 269 CB VAL A 21 -5.059 -0.246 -0.724 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.078 -1.325 -0.290 1.00 0.00 C ATOM 271 CG2 VAL A 21 -5.929 -0.736 -1.871 1.00 0.00 C ATOM 0 H VAL A 21 -4.623 0.146 2.101 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.636 0.959 0.121 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.486 0.613 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.470 -1.628 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.432 -0.935 0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.629 -2.187 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.295 -1.047 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.530 -1.582 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.587 0.069 -2.199 1.00 0.00 H new ATOM 281 N SER A 22 -7.901 -1.214 0.451 1.00 0.00 N ATOM 282 CA SER A 22 -8.743 -2.328 0.870 1.00 0.00 C ATOM 283 C SER A 22 -8.142 -3.659 0.430 1.00 0.00 C ATOM 284 O SER A 22 -7.892 -3.877 -0.756 1.00 0.00 O ATOM 285 CB SER A 22 -10.151 -2.176 0.293 1.00 0.00 C ATOM 286 OG SER A 22 -10.968 -3.280 0.644 1.00 0.00 O ATOM 0 H SER A 22 -8.308 -0.629 -0.278 1.00 0.00 H new ATOM 0 HA SER A 22 -8.801 -2.318 1.958 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.601 -1.255 0.662 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.095 -2.091 -0.792 1.00 0.00 H new ATOM 0 HG SER A 22 -11.863 -3.158 0.265 1.00 0.00 H new ATOM 292 N ILE A 23 -7.911 -4.545 1.393 1.00 0.00 N ATOM 293 CA ILE A 23 -7.341 -5.854 1.105 1.00 0.00 C ATOM 294 C ILE A 23 -7.693 -6.860 2.196 1.00 0.00 C ATOM 295 O ILE A 23 -7.528 -6.603 3.389 1.00 0.00 O ATOM 296 CB ILE A 23 -5.809 -5.783 0.964 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.426 -4.962 -0.268 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.218 -7.183 0.881 1.00 0.00 C ATOM 299 CD1 ILE A 23 -3.941 -4.964 -0.558 1.00 0.00 C ATOM 0 H ILE A 23 -8.110 -4.379 2.380 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.770 -6.183 0.159 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.400 -5.290 1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.958 -5.354 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.759 -3.934 -0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.135 -7.115 0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.465 -7.737 1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.630 -7.701 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.743 -4.362 -1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.404 -4.545 0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.605 -5.987 -0.731 1.00 0.00 H new ATOM 311 N PRO A 24 -8.190 -8.035 1.781 1.00 0.00 N ATOM 312 CA PRO A 24 -8.575 -9.104 2.707 1.00 0.00 C ATOM 313 C PRO A 24 -7.368 -9.743 3.387 1.00 0.00 C ATOM 314 O PRO A 24 -6.319 -9.921 2.770 1.00 0.00 O ATOM 315 CB PRO A 24 -9.280 -10.119 1.804 1.00 0.00 C ATOM 316 CG PRO A 24 -8.707 -9.882 0.449 1.00 0.00 C ATOM 317 CD PRO A 24 -8.415 -8.410 0.374 1.00 0.00 C ATOM 0 HA PRO A 24 -9.198 -8.734 3.522 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.097 -11.140 2.138 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.360 -9.970 1.809 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.800 -10.468 0.301 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.409 -10.181 -0.329 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.539 -8.205 -0.242 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.247 -7.857 -0.061 1.00 0.00 H new ATOM 325 N ALA A 25 -7.527 -10.088 4.661 1.00 0.00 N ATOM 326 CA ALA A 25 -6.452 -10.710 5.423 1.00 0.00 C ATOM 327 C ALA A 25 -5.960 -11.982 4.741 1.00 0.00 C ATOM 328 O ALA A 25 -4.772 -12.306 4.789 1.00 0.00 O ATOM 329 CB ALA A 25 -6.916 -11.014 6.839 1.00 0.00 C ATOM 0 H ALA A 25 -8.390 -9.947 5.186 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.619 -10.008 5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.103 -11.478 7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.211 -10.088 7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.767 -11.694 6.805 1.00 0.00 H new ATOM 335 N LYS A 26 -6.879 -12.700 4.106 1.00 0.00 N ATOM 336 CA LYS A 26 -6.540 -13.938 3.412 1.00 0.00 C ATOM 337 C LYS A 26 -5.426 -13.704 2.397 1.00 0.00 C ATOM 338 O LYS A 26 -4.616 -14.594 2.133 1.00 0.00 O ATOM 339 CB LYS A 26 -7.774 -14.507 2.709 1.00 0.00 C ATOM 340 CG LYS A 26 -8.151 -13.761 1.441 1.00 0.00 C ATOM 341 CD LYS A 26 -9.610 -13.977 1.079 1.00 0.00 C ATOM 342 CE LYS A 26 -10.031 -13.099 -0.089 1.00 0.00 C ATOM 343 NZ LYS A 26 -11.492 -13.200 -0.361 1.00 0.00 N ATOM 0 H LYS A 26 -7.866 -12.446 4.057 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.188 -14.656 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.592 -15.553 2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.618 -14.483 3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.962 -12.696 1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.518 -14.096 0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.771 -15.025 0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.237 -13.759 1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.772 -12.062 0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.475 -13.389 -0.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.739 -12.587 -1.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.735 -14.185 -0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.023 -12.899 0.481 1.00 0.00 H new ATOM 357 N LEU A 27 -5.389 -12.503 1.831 1.00 0.00 N ATOM 358 CA LEU A 27 -4.373 -12.152 0.844 1.00 0.00 C ATOM 359 C LEU A 27 -3.095 -11.676 1.526 1.00 0.00 C ATOM 360 O LEU A 27 -1.989 -11.969 1.070 1.00 0.00 O ATOM 361 CB LEU A 27 -4.899 -11.065 -0.094 1.00 0.00 C ATOM 362 CG LEU A 27 -5.939 -11.514 -1.124 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.399 -10.333 -1.964 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.371 -12.613 -2.010 1.00 0.00 C ATOM 0 H LEU A 27 -6.051 -11.755 2.038 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.143 -13.044 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.335 -10.270 0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.053 -10.632 -0.627 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.802 -11.914 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.138 -10.670 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.845 -9.578 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.545 -9.904 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.124 -12.920 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.492 -12.239 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.090 -13.468 -1.395 1.00 0.00 H new ATOM 376 N HIS A 28 -3.253 -10.942 2.623 1.00 0.00 N ATOM 377 CA HIS A 28 -2.111 -10.426 3.370 1.00 0.00 C ATOM 378 C HIS A 28 -0.947 -11.411 3.329 1.00 0.00 C ATOM 379 O HIS A 28 0.137 -11.086 2.847 1.00 0.00 O ATOM 380 CB HIS A 28 -2.508 -10.146 4.820 1.00 0.00 C ATOM 381 CG HIS A 28 -3.502 -9.036 4.965 1.00 0.00 C ATOM 382 ND1 HIS A 28 -3.707 -8.360 6.149 1.00 0.00 N ATOM 383 CD2 HIS A 28 -4.350 -8.483 4.066 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.640 -7.440 5.973 1.00 0.00 C ATOM 385 NE2 HIS A 28 -5.046 -7.494 4.717 1.00 0.00 N ATOM 0 H HIS A 28 -4.161 -10.691 3.014 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.792 -9.494 2.903 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -2.924 -11.054 5.256 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.614 -9.899 5.392 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -3.216 -8.541 7.024 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.459 -8.767 3.030 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.008 -6.760 6.727 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.760 -6.898 4.299 1.00 0.00 H new ATOM 393 N ASN A 29 -1.179 -12.616 3.840 1.00 0.00 N ATOM 394 CA ASN A 29 -0.149 -13.648 3.864 1.00 0.00 C ATOM 395 C ASN A 29 0.419 -13.882 2.467 1.00 0.00 C ATOM 396 O ASN A 29 1.626 -14.049 2.297 1.00 0.00 O ATOM 397 CB ASN A 29 -0.719 -14.954 4.421 1.00 0.00 C ATOM 398 CG ASN A 29 -1.098 -14.842 5.885 1.00 0.00 C ATOM 399 OD1 ASN A 29 -2.272 -14.933 6.242 1.00 0.00 O ATOM 400 ND2 ASN A 29 -0.102 -14.643 6.740 1.00 0.00 N ATOM 0 H ASN A 29 -2.071 -12.902 4.243 1.00 0.00 H new ATOM 0 HA ASN A 29 0.658 -13.306 4.512 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.597 -15.240 3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.016 -15.749 4.299 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.296 -14.559 7.738 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.857 -14.574 6.399 1.00 0.00 H new ATOM 407 N SER A 30 -0.461 -13.890 1.471 1.00 0.00 N ATOM 408 CA SER A 30 -0.050 -14.107 0.089 1.00 0.00 C ATOM 409 C SER A 30 0.877 -12.990 -0.382 1.00 0.00 C ATOM 410 O SER A 30 1.981 -13.246 -0.866 1.00 0.00 O ATOM 411 CB SER A 30 -1.274 -14.188 -0.824 1.00 0.00 C ATOM 412 OG SER A 30 -2.027 -15.361 -0.564 1.00 0.00 O ATOM 0 H SER A 30 -1.463 -13.749 1.595 1.00 0.00 H new ATOM 0 HA SER A 30 0.492 -15.052 0.041 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.901 -13.309 -0.676 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.955 -14.180 -1.866 1.00 0.00 H new ATOM 0 HG SER A 30 -2.805 -15.389 -1.159 1.00 0.00 H new ATOM 418 N LEU A 31 0.420 -11.751 -0.240 1.00 0.00 N ATOM 419 CA LEU A 31 1.207 -10.593 -0.650 1.00 0.00 C ATOM 420 C LEU A 31 2.520 -10.524 0.124 1.00 0.00 C ATOM 421 O LEU A 31 3.600 -10.506 -0.466 1.00 0.00 O ATOM 422 CB LEU A 31 0.408 -9.307 -0.437 1.00 0.00 C ATOM 423 CG LEU A 31 -0.425 -8.829 -1.627 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.567 -7.942 -1.158 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.451 -8.089 -2.628 1.00 0.00 C ATOM 0 H LEU A 31 -0.492 -11.522 0.156 1.00 0.00 H new ATOM 0 HA LEU A 31 1.437 -10.699 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.259 -9.454 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.102 -8.513 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.851 -9.702 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.148 -7.612 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.210 -8.504 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.163 -7.073 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.158 -7.756 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.906 -7.224 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.234 -8.756 -2.989 1.00 0.00 H new ATOM 437 N ILE A 32 2.418 -10.488 1.449 1.00 0.00 N ATOM 438 CA ILE A 32 3.597 -10.424 2.303 1.00 0.00 C ATOM 439 C ILE A 32 4.561 -11.566 1.997 1.00 0.00 C ATOM 440 O ILE A 32 5.693 -11.340 1.574 1.00 0.00 O ATOM 441 CB ILE A 32 3.214 -10.476 3.794 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.199 -9.379 4.121 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.455 -10.333 4.664 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.341 -9.690 5.328 1.00 0.00 C ATOM 0 H ILE A 32 1.532 -10.502 1.953 1.00 0.00 H new ATOM 0 HA ILE A 32 4.087 -9.473 2.094 1.00 0.00 H new ATOM 0 HB ILE A 32 2.756 -11.443 4.003 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.731 -8.443 4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.553 -9.223 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.169 -10.372 5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.148 -11.146 4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.938 -9.379 4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.645 -8.869 5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.782 -10.609 5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.977 -9.817 6.204 1.00 0.00 H new ATOM 456 N GLY A 33 4.101 -12.795 2.211 1.00 0.00 N ATOM 457 CA GLY A 33 4.933 -13.954 1.952 1.00 0.00 C ATOM 458 C GLY A 33 5.238 -14.743 3.210 1.00 0.00 C ATOM 459 O GLY A 33 4.570 -14.580 4.232 1.00 0.00 O ATOM 0 H GLY A 33 3.166 -13.008 2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.433 -14.603 1.233 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.868 -13.631 1.494 1.00 0.00 H new ATOM 463 N THR A 34 6.248 -15.604 3.138 1.00 0.00 N ATOM 464 CA THR A 34 6.638 -16.423 4.278 1.00 0.00 C ATOM 465 C THR A 34 7.149 -15.561 5.425 1.00 0.00 C ATOM 466 O THR A 34 6.669 -15.663 6.555 1.00 0.00 O ATOM 467 CB THR A 34 7.727 -17.442 3.891 1.00 0.00 C ATOM 468 OG1 THR A 34 7.281 -18.243 2.791 1.00 0.00 O ATOM 469 CG2 THR A 34 8.071 -18.340 5.071 1.00 0.00 C ATOM 0 H THR A 34 6.811 -15.752 2.301 1.00 0.00 H new ATOM 0 HA THR A 34 5.746 -16.960 4.601 1.00 0.00 H new ATOM 0 HB THR A 34 8.621 -16.891 3.600 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.980 -18.887 2.551 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.842 -19.051 4.774 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.438 -17.731 5.897 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.180 -18.882 5.388 1.00 0.00 H new ATOM 477 N LYS A 35 8.126 -14.710 5.130 1.00 0.00 N ATOM 478 CA LYS A 35 8.702 -13.827 6.137 1.00 0.00 C ATOM 479 C LYS A 35 8.408 -12.366 5.811 1.00 0.00 C ATOM 480 O LYS A 35 8.026 -11.589 6.685 1.00 0.00 O ATOM 481 CB LYS A 35 10.213 -14.045 6.232 1.00 0.00 C ATOM 482 CG LYS A 35 10.603 -15.487 6.506 1.00 0.00 C ATOM 483 CD LYS A 35 12.056 -15.750 6.146 1.00 0.00 C ATOM 484 CE LYS A 35 12.212 -16.104 4.675 1.00 0.00 C ATOM 485 NZ LYS A 35 13.566 -16.648 4.376 1.00 0.00 N ATOM 0 H LYS A 35 8.536 -14.613 4.201 1.00 0.00 H new ATOM 0 HA LYS A 35 8.246 -14.066 7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.678 -13.723 5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.614 -13.412 7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.441 -15.715 7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.959 -16.154 5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.654 -14.867 6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.442 -16.564 6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.456 -16.838 4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.035 -15.217 4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.632 -16.877 3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.287 -15.938 4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.726 -17.509 4.937 1.00 0.00 H new ATOM 499 N GLY A 36 8.589 -11.998 4.546 1.00 0.00 N ATOM 500 CA GLY A 36 8.338 -10.631 4.127 1.00 0.00 C ATOM 501 C GLY A 36 9.243 -10.197 2.992 1.00 0.00 C ATOM 502 O GLY A 36 9.671 -9.044 2.937 1.00 0.00 O ATOM 0 H GLY A 36 8.905 -12.622 3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.298 -10.535 3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.479 -9.962 4.976 1.00 0.00 H new ATOM 506 N ARG A 37 9.536 -11.122 2.085 1.00 0.00 N ATOM 507 CA ARG A 37 10.399 -10.829 0.946 1.00 0.00 C ATOM 508 C ARG A 37 9.595 -10.236 -0.208 1.00 0.00 C ATOM 509 O ARG A 37 10.006 -9.252 -0.824 1.00 0.00 O ATOM 510 CB ARG A 37 11.116 -12.099 0.482 1.00 0.00 C ATOM 511 CG ARG A 37 10.171 -13.210 0.056 1.00 0.00 C ATOM 512 CD ARG A 37 10.830 -14.576 0.173 1.00 0.00 C ATOM 513 NE ARG A 37 11.878 -14.766 -0.825 1.00 0.00 N ATOM 514 CZ ARG A 37 12.518 -15.916 -1.008 1.00 0.00 C ATOM 515 NH1 ARG A 37 12.219 -16.971 -0.264 1.00 0.00 N ATOM 516 NH2 ARG A 37 13.460 -16.011 -1.937 1.00 0.00 N ATOM 0 H ARG A 37 9.189 -12.081 2.116 1.00 0.00 H new ATOM 0 HA ARG A 37 11.141 -10.096 1.264 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.772 -11.852 -0.353 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.751 -12.463 1.290 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.274 -13.183 0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.854 -13.045 -0.974 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.255 -14.689 1.170 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.075 -15.354 0.058 1.00 0.00 H new ATOM 0 HE ARG A 37 12.133 -13.973 -1.414 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.496 -16.902 0.452 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.712 -17.852 -0.407 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.693 -15.201 -2.511 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.951 -16.894 -2.077 1.00 0.00 H new ATOM 530 N LEU A 38 8.447 -10.842 -0.494 1.00 0.00 N ATOM 531 CA LEU A 38 7.585 -10.374 -1.574 1.00 0.00 C ATOM 532 C LEU A 38 7.244 -8.897 -1.399 1.00 0.00 C ATOM 533 O LEU A 38 7.178 -8.146 -2.372 1.00 0.00 O ATOM 534 CB LEU A 38 6.300 -11.204 -1.623 1.00 0.00 C ATOM 535 CG LEU A 38 6.424 -12.596 -2.243 1.00 0.00 C ATOM 536 CD1 LEU A 38 5.278 -13.486 -1.787 1.00 0.00 C ATOM 537 CD2 LEU A 38 6.458 -12.503 -3.761 1.00 0.00 C ATOM 0 H LEU A 38 8.092 -11.657 0.006 1.00 0.00 H new ATOM 0 HA LEU A 38 8.124 -10.494 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.923 -11.313 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.551 -10.644 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 38 7.360 -13.041 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.382 -14.473 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.299 -13.579 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.330 -13.045 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.547 -13.503 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.539 -12.038 -4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.313 -11.901 -4.070 1.00 0.00 H new ATOM 549 N ILE A 39 7.031 -8.489 -0.152 1.00 0.00 N ATOM 550 CA ILE A 39 6.701 -7.102 0.150 1.00 0.00 C ATOM 551 C ILE A 39 7.961 -6.257 0.298 1.00 0.00 C ATOM 552 O ILE A 39 8.032 -5.135 -0.204 1.00 0.00 O ATOM 553 CB ILE A 39 5.868 -6.990 1.440 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.400 -7.321 1.155 1.00 0.00 C ATOM 555 CG2 ILE A 39 5.995 -5.596 2.035 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.676 -6.240 0.386 1.00 0.00 C ATOM 0 H ILE A 39 7.081 -9.099 0.664 1.00 0.00 H new ATOM 0 HA ILE A 39 6.112 -6.728 -0.687 1.00 0.00 H new ATOM 0 HB ILE A 39 6.250 -7.709 2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.349 -8.253 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.884 -7.491 2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.400 -5.534 2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.040 -5.394 2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.636 -4.859 1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.642 -6.542 0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.696 -5.312 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.167 -6.085 -0.575 1.00 0.00 H new ATOM 568 N ARG A 40 8.956 -6.803 0.991 1.00 0.00 N ATOM 569 CA ARG A 40 10.214 -6.099 1.205 1.00 0.00 C ATOM 570 C ARG A 40 10.772 -5.570 -0.113 1.00 0.00 C ATOM 571 O ARG A 40 11.232 -4.431 -0.192 1.00 0.00 O ATOM 572 CB ARG A 40 11.235 -7.026 1.868 1.00 0.00 C ATOM 573 CG ARG A 40 11.193 -6.991 3.387 1.00 0.00 C ATOM 574 CD ARG A 40 11.937 -5.784 3.936 1.00 0.00 C ATOM 575 NE ARG A 40 11.610 -5.531 5.337 1.00 0.00 N ATOM 576 CZ ARG A 40 11.785 -4.356 5.932 1.00 0.00 C ATOM 577 NH1 ARG A 40 12.279 -3.331 5.252 1.00 0.00 N ATOM 578 NH2 ARG A 40 11.464 -4.204 7.211 1.00 0.00 N ATOM 0 H ARG A 40 8.915 -7.731 1.413 1.00 0.00 H new ATOM 0 HA ARG A 40 10.020 -5.252 1.864 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.058 -8.048 1.532 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.235 -6.749 1.534 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.156 -6.965 3.723 1.00 0.00 H new ATOM 0 HG3 ARG A 40 11.634 -7.904 3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.011 -5.944 3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.690 -4.904 3.341 1.00 0.00 H new ATOM 0 HE ARG A 40 11.226 -6.298 5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.526 -3.443 4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.412 -2.430 5.712 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.083 -4.990 7.738 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.599 -3.302 7.667 1.00 0.00 H new ATOM 592 N SER A 41 10.729 -6.406 -1.146 1.00 0.00 N ATOM 593 CA SER A 41 11.234 -6.024 -2.460 1.00 0.00 C ATOM 594 C SER A 41 10.480 -4.813 -3.001 1.00 0.00 C ATOM 595 O SER A 41 11.082 -3.880 -3.531 1.00 0.00 O ATOM 596 CB SER A 41 11.111 -7.195 -3.436 1.00 0.00 C ATOM 597 OG SER A 41 9.760 -7.407 -3.811 1.00 0.00 O ATOM 0 H SER A 41 10.350 -7.352 -1.098 1.00 0.00 H new ATOM 0 HA SER A 41 12.286 -5.757 -2.355 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.711 -6.997 -4.324 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.510 -8.099 -2.976 1.00 0.00 H new ATOM 0 HG SER A 41 9.242 -7.683 -3.026 1.00 0.00 H new ATOM 603 N ILE A 42 9.158 -4.838 -2.863 1.00 0.00 N ATOM 604 CA ILE A 42 8.322 -3.743 -3.336 1.00 0.00 C ATOM 605 C ILE A 42 8.644 -2.446 -2.602 1.00 0.00 C ATOM 606 O ILE A 42 8.702 -1.375 -3.207 1.00 0.00 O ATOM 607 CB ILE A 42 6.825 -4.061 -3.161 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.444 -5.297 -3.977 1.00 0.00 C ATOM 609 CG2 ILE A 42 5.978 -2.866 -3.571 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.091 -5.867 -3.615 1.00 0.00 C ATOM 0 H ILE A 42 8.644 -5.604 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 42 8.537 -3.619 -4.397 1.00 0.00 H new ATOM 0 HB ILE A 42 6.635 -4.272 -2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.449 -5.039 -5.036 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.203 -6.066 -3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.923 -3.106 -3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.234 -2.008 -2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.170 -2.626 -4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.887 -6.741 -4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.088 -6.157 -2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.321 -5.114 -3.786 1.00 0.00 H new ATOM 622 N MET A 43 8.855 -2.551 -1.294 1.00 0.00 N ATOM 623 CA MET A 43 9.175 -1.387 -0.476 1.00 0.00 C ATOM 624 C MET A 43 10.463 -0.724 -0.955 1.00 0.00 C ATOM 625 O MET A 43 10.666 0.473 -0.756 1.00 0.00 O ATOM 626 CB MET A 43 9.312 -1.790 0.993 1.00 0.00 C ATOM 627 CG MET A 43 8.053 -2.418 1.570 1.00 0.00 C ATOM 628 SD MET A 43 7.882 -2.130 3.342 1.00 0.00 S ATOM 629 CE MET A 43 9.119 -3.252 3.987 1.00 0.00 C ATOM 0 H MET A 43 8.810 -3.430 -0.778 1.00 0.00 H new ATOM 0 HA MET A 43 8.359 -0.671 -0.574 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.138 -2.494 1.093 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.571 -0.909 1.580 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.181 -2.015 1.055 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.067 -3.491 1.380 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.135 -3.189 5.075 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.878 -4.271 3.686 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.098 -2.979 3.593 1.00 0.00 H new ATOM 639 N GLU A 44 11.329 -1.510 -1.585 1.00 0.00 N ATOM 640 CA GLU A 44 12.598 -0.998 -2.091 1.00 0.00 C ATOM 641 C GLU A 44 12.429 -0.408 -3.487 1.00 0.00 C ATOM 642 O GLU A 44 12.653 0.784 -3.699 1.00 0.00 O ATOM 643 CB GLU A 44 13.647 -2.111 -2.120 1.00 0.00 C ATOM 644 CG GLU A 44 15.069 -1.603 -2.289 1.00 0.00 C ATOM 645 CD GLU A 44 15.449 -0.572 -1.244 1.00 0.00 C ATOM 646 OE1 GLU A 44 15.653 -0.959 -0.074 1.00 0.00 O ATOM 647 OE2 GLU A 44 15.543 0.622 -1.596 1.00 0.00 O ATOM 0 H GLU A 44 11.176 -2.504 -1.758 1.00 0.00 H new ATOM 0 HA GLU A 44 12.935 -0.208 -1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.582 -2.684 -1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.415 -2.796 -2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.760 -2.444 -2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.179 -1.166 -3.282 1.00 0.00 H new ATOM 654 N GLU A 45 12.031 -1.251 -4.436 1.00 0.00 N ATOM 655 CA GLU A 45 11.833 -0.811 -5.812 1.00 0.00 C ATOM 656 C GLU A 45 10.899 0.394 -5.870 1.00 0.00 C ATOM 657 O GLU A 45 11.129 1.335 -6.631 1.00 0.00 O ATOM 658 CB GLU A 45 11.265 -1.952 -6.657 1.00 0.00 C ATOM 659 CG GLU A 45 10.037 -2.608 -6.048 1.00 0.00 C ATOM 660 CD GLU A 45 9.913 -4.074 -6.418 1.00 0.00 C ATOM 661 OE1 GLU A 45 10.951 -4.696 -6.726 1.00 0.00 O ATOM 662 OE2 GLU A 45 8.780 -4.598 -6.400 1.00 0.00 O ATOM 0 H GLU A 45 11.840 -2.240 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 45 12.802 -0.516 -6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.009 -1.569 -7.645 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.038 -2.708 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.080 -2.514 -4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.144 -2.077 -6.379 1.00 0.00 H new ATOM 669 N CYS A 46 9.846 0.357 -5.063 1.00 0.00 N ATOM 670 CA CYS A 46 8.874 1.446 -5.022 1.00 0.00 C ATOM 671 C CYS A 46 9.545 2.757 -4.627 1.00 0.00 C ATOM 672 O CYS A 46 9.120 3.834 -5.044 1.00 0.00 O ATOM 673 CB CYS A 46 7.750 1.117 -4.040 1.00 0.00 C ATOM 674 SG CYS A 46 8.225 1.255 -2.300 1.00 0.00 S ATOM 0 H CYS A 46 9.642 -0.414 -4.428 1.00 0.00 H new ATOM 0 HA CYS A 46 8.451 1.562 -6.020 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.909 1.784 -4.230 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.401 0.102 -4.231 1.00 0.00 H new ATOM 0 HG CYS A 46 9.513 1.121 -2.190 1.00 0.00 H new ATOM 680 N GLY A 47 10.596 2.659 -3.818 1.00 0.00 N ATOM 681 CA GLY A 47 11.307 3.845 -3.378 1.00 0.00 C ATOM 682 C GLY A 47 11.828 3.717 -1.961 1.00 0.00 C ATOM 683 O GLY A 47 12.970 4.074 -1.677 1.00 0.00 O ATOM 0 H GLY A 47 10.967 1.779 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.142 4.036 -4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.643 4.707 -3.441 1.00 0.00 H new ATOM 687 N GLY A 48 10.987 3.205 -1.067 1.00 0.00 N ATOM 688 CA GLY A 48 11.386 3.042 0.319 1.00 0.00 C ATOM 689 C GLY A 48 10.264 3.354 1.287 1.00 0.00 C ATOM 690 O GLY A 48 10.424 4.172 2.193 1.00 0.00 O ATOM 0 H GLY A 48 10.037 2.900 -1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.724 2.018 0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.234 3.694 0.529 1.00 0.00 H new ATOM 694 N VAL A 49 9.120 2.703 1.095 1.00 0.00 N ATOM 695 CA VAL A 49 7.964 2.916 1.959 1.00 0.00 C ATOM 696 C VAL A 49 7.825 1.792 2.978 1.00 0.00 C ATOM 697 O VAL A 49 8.499 0.765 2.882 1.00 0.00 O ATOM 698 CB VAL A 49 6.664 3.016 1.140 1.00 0.00 C ATOM 699 CG1 VAL A 49 6.804 4.055 0.037 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.293 1.659 0.561 1.00 0.00 C ATOM 0 H VAL A 49 8.969 2.024 0.349 1.00 0.00 H new ATOM 0 HA VAL A 49 8.129 3.858 2.483 1.00 0.00 H new ATOM 0 HB VAL A 49 5.861 3.334 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.875 4.111 -0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.018 5.028 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.619 3.771 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.372 1.749 -0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.095 1.309 -0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.146 0.945 1.372 1.00 0.00 H new ATOM 710 N HIS A 50 6.947 1.991 3.955 1.00 0.00 N ATOM 711 CA HIS A 50 6.719 0.993 4.993 1.00 0.00 C ATOM 712 C HIS A 50 5.253 0.567 5.024 1.00 0.00 C ATOM 713 O HIS A 50 4.416 1.237 5.628 1.00 0.00 O ATOM 714 CB HIS A 50 7.131 1.543 6.360 1.00 0.00 C ATOM 715 CG HIS A 50 8.541 2.042 6.403 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.242 2.796 5.522 1.00 0.00 N flip ATOM 717 CD2 HIS A 50 9.403 1.775 7.446 1.00 0.00 C flip ATOM 718 CE1 HIS A 50 10.500 2.969 6.044 1.00 0.00 C flip ATOM 719 NE2 HIS A 50 10.571 2.344 7.206 1.00 0.00 N flip ATOM 0 H HIS A 50 6.382 2.835 4.050 1.00 0.00 H new ATOM 0 HA HIS A 50 7.329 0.120 4.763 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.458 2.356 6.634 1.00 0.00 H new ATOM 0 HB3 HIS A 50 7.008 0.761 7.109 1.00 0.00 H new ATOM 0 HD2 HIS A 50 9.161 1.192 8.322 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.301 3.525 5.580 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.389 2.307 7.814 1.00 0.00 H new ATOM 727 N ILE A 51 4.953 -0.550 4.370 1.00 0.00 N ATOM 728 CA ILE A 51 3.590 -1.064 4.324 1.00 0.00 C ATOM 729 C ILE A 51 3.223 -1.768 5.625 1.00 0.00 C ATOM 730 O ILE A 51 4.045 -2.466 6.219 1.00 0.00 O ATOM 731 CB ILE A 51 3.398 -2.044 3.151 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.856 -1.402 1.840 1.00 0.00 C ATOM 733 CG2 ILE A 51 1.942 -2.475 3.054 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.156 -2.405 0.748 1.00 0.00 C ATOM 0 H ILE A 51 5.635 -1.116 3.865 1.00 0.00 H new ATOM 0 HA ILE A 51 2.934 -0.205 4.181 1.00 0.00 H new ATOM 0 HB ILE A 51 4.008 -2.929 3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.083 -0.717 1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.748 -0.806 2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.822 -3.167 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.646 -2.967 3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.313 -1.599 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.475 -1.879 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.950 -3.075 1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.259 -2.985 0.530 1.00 0.00 H new ATOM 746 N HIS A 52 1.983 -1.580 6.064 1.00 0.00 N ATOM 747 CA HIS A 52 1.505 -2.199 7.296 1.00 0.00 C ATOM 748 C HIS A 52 0.442 -3.252 6.998 1.00 0.00 C ATOM 749 O HIS A 52 -0.510 -2.996 6.260 1.00 0.00 O ATOM 750 CB HIS A 52 0.938 -1.137 8.239 1.00 0.00 C ATOM 751 CG HIS A 52 1.960 -0.550 9.163 1.00 0.00 C ATOM 752 ND1 HIS A 52 2.749 -1.315 9.995 1.00 0.00 N ATOM 753 CD2 HIS A 52 2.320 0.735 9.384 1.00 0.00 C ATOM 754 CE1 HIS A 52 3.549 -0.525 10.689 1.00 0.00 C ATOM 755 NE2 HIS A 52 3.309 0.725 10.336 1.00 0.00 N ATOM 0 H HIS A 52 1.290 -1.004 5.585 1.00 0.00 H new ATOM 0 HA HIS A 52 2.351 -2.689 7.779 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.493 -0.337 7.647 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.136 -1.579 8.831 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.906 1.608 8.901 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.276 -0.847 11.420 1.00 0.00 H new ATOM 0 HE2 HIS A 52 3.781 1.548 10.710 1.00 0.00 H new ATOM 763 N PHE A 53 0.610 -4.436 7.576 1.00 0.00 N ATOM 764 CA PHE A 53 -0.334 -5.529 7.371 1.00 0.00 C ATOM 765 C PHE A 53 -0.861 -6.050 8.705 1.00 0.00 C ATOM 766 O PHE A 53 -0.178 -6.773 9.431 1.00 0.00 O ATOM 767 CB PHE A 53 0.331 -6.666 6.593 1.00 0.00 C ATOM 768 CG PHE A 53 0.240 -6.505 5.102 1.00 0.00 C ATOM 769 CD1 PHE A 53 1.140 -5.699 4.423 1.00 0.00 C ATOM 770 CD2 PHE A 53 -0.745 -7.159 4.379 1.00 0.00 C ATOM 771 CE1 PHE A 53 1.060 -5.549 3.051 1.00 0.00 C ATOM 772 CE2 PHE A 53 -0.829 -7.014 3.008 1.00 0.00 C ATOM 773 CZ PHE A 53 0.073 -6.206 2.343 1.00 0.00 C ATOM 0 H PHE A 53 1.391 -4.664 8.191 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.175 -5.146 6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.381 -6.727 6.881 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.133 -7.610 6.878 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.913 -5.182 4.972 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.455 -7.789 4.894 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.768 -4.919 2.534 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.599 -7.532 2.456 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.006 -6.088 1.271 1.00 0.00 H new ATOM 783 N PRO A 54 -2.105 -5.674 9.037 1.00 0.00 N ATOM 784 CA PRO A 54 -2.751 -6.092 10.284 1.00 0.00 C ATOM 785 C PRO A 54 -3.093 -7.577 10.290 1.00 0.00 C ATOM 786 O PRO A 54 -3.136 -8.220 9.241 1.00 0.00 O ATOM 787 CB PRO A 54 -4.029 -5.249 10.321 1.00 0.00 C ATOM 788 CG PRO A 54 -4.315 -4.932 8.894 1.00 0.00 C ATOM 789 CD PRO A 54 -2.976 -4.813 8.219 1.00 0.00 C ATOM 0 HA PRO A 54 -2.102 -5.946 11.148 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.853 -5.798 10.777 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.888 -4.341 10.908 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.916 -5.716 8.433 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.880 -4.004 8.806 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.017 -5.150 7.183 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.623 -3.782 8.205 1.00 0.00 H new ATOM 797 N VAL A 55 -3.337 -8.119 11.480 1.00 0.00 N ATOM 798 CA VAL A 55 -3.676 -9.530 11.623 1.00 0.00 C ATOM 799 C VAL A 55 -5.154 -9.708 11.953 1.00 0.00 C ATOM 800 O VAL A 55 -5.749 -8.883 12.647 1.00 0.00 O ATOM 801 CB VAL A 55 -2.831 -10.202 12.721 1.00 0.00 C ATOM 802 CG1 VAL A 55 -3.189 -11.675 12.843 1.00 0.00 C ATOM 803 CG2 VAL A 55 -1.349 -10.027 12.433 1.00 0.00 C ATOM 0 H VAL A 55 -3.306 -7.602 12.359 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.460 -10.007 10.667 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.052 -9.719 13.673 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.582 -12.134 13.624 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.244 -11.773 13.099 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.998 -12.176 11.894 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.766 -10.508 13.219 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.109 -10.483 11.472 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.108 -8.965 12.401 1.00 0.00 H new ATOM 813 N GLU A 56 -5.741 -10.790 11.452 1.00 0.00 N ATOM 814 CA GLU A 56 -7.150 -11.076 11.694 1.00 0.00 C ATOM 815 C GLU A 56 -7.561 -10.641 13.098 1.00 0.00 C ATOM 816 O GLU A 56 -8.634 -10.075 13.295 1.00 0.00 O ATOM 817 CB GLU A 56 -7.429 -12.569 11.510 1.00 0.00 C ATOM 818 CG GLU A 56 -6.802 -13.444 12.583 1.00 0.00 C ATOM 819 CD GLU A 56 -6.833 -14.917 12.227 1.00 0.00 C ATOM 820 OE1 GLU A 56 -5.870 -15.394 11.591 1.00 0.00 O ATOM 821 OE2 GLU A 56 -7.821 -15.593 12.585 1.00 0.00 O ATOM 0 H GLU A 56 -5.263 -11.483 10.876 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.738 -10.511 10.970 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.507 -12.730 11.506 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.056 -12.882 10.535 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.769 -13.134 12.741 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.329 -13.291 13.525 1.00 0.00 H new ATOM 828 N GLY A 57 -6.695 -10.910 14.072 1.00 0.00 N ATOM 829 CA GLY A 57 -6.984 -10.540 15.444 1.00 0.00 C ATOM 830 C GLY A 57 -7.504 -9.121 15.565 1.00 0.00 C ATOM 831 O GLY A 57 -8.522 -8.880 16.214 1.00 0.00 O ATOM 0 H GLY A 57 -5.799 -11.378 13.934 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.721 -11.230 15.856 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.080 -10.645 16.043 1.00 0.00 H new ATOM 835 N SER A 58 -6.803 -8.180 14.941 1.00 0.00 N ATOM 836 CA SER A 58 -7.197 -6.777 14.986 1.00 0.00 C ATOM 837 C SER A 58 -8.517 -6.559 14.252 1.00 0.00 C ATOM 838 O SER A 58 -9.352 -5.762 14.677 1.00 0.00 O ATOM 839 CB SER A 58 -6.107 -5.899 14.369 1.00 0.00 C ATOM 840 OG SER A 58 -5.171 -5.485 15.349 1.00 0.00 O ATOM 0 H SER A 58 -5.959 -8.364 14.398 1.00 0.00 H new ATOM 0 HA SER A 58 -7.332 -6.497 16.031 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.594 -6.451 13.581 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.561 -5.025 13.902 1.00 0.00 H new ATOM 0 HG SER A 58 -4.484 -4.927 14.930 1.00 0.00 H new ATOM 846 N GLY A 59 -8.697 -7.275 13.146 1.00 0.00 N ATOM 847 CA GLY A 59 -9.917 -7.146 12.371 1.00 0.00 C ATOM 848 C GLY A 59 -9.855 -6.002 11.378 1.00 0.00 C ATOM 849 O GLY A 59 -10.805 -5.231 11.248 1.00 0.00 O ATOM 0 H GLY A 59 -8.020 -7.941 12.773 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.104 -8.077 11.836 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.758 -6.991 13.047 1.00 0.00 H new ATOM 853 N SER A 60 -8.731 -5.889 10.677 1.00 0.00 N ATOM 854 CA SER A 60 -8.546 -4.827 9.695 1.00 0.00 C ATOM 855 C SER A 60 -8.161 -5.404 8.336 1.00 0.00 C ATOM 856 O SER A 60 -7.059 -5.924 8.160 1.00 0.00 O ATOM 857 CB SER A 60 -7.470 -3.848 10.169 1.00 0.00 C ATOM 858 OG SER A 60 -7.276 -2.808 9.226 1.00 0.00 O ATOM 0 H SER A 60 -7.935 -6.520 10.771 1.00 0.00 H new ATOM 0 HA SER A 60 -9.491 -4.295 9.589 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.759 -3.423 11.130 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.532 -4.381 10.325 1.00 0.00 H new ATOM 0 HG SER A 60 -6.585 -2.195 9.553 1.00 0.00 H new ATOM 864 N ASP A 61 -9.078 -5.308 7.379 1.00 0.00 N ATOM 865 CA ASP A 61 -8.836 -5.819 6.035 1.00 0.00 C ATOM 866 C ASP A 61 -8.364 -4.705 5.107 1.00 0.00 C ATOM 867 O ASP A 61 -8.813 -4.600 3.965 1.00 0.00 O ATOM 868 CB ASP A 61 -10.106 -6.463 5.475 1.00 0.00 C ATOM 869 CG ASP A 61 -10.609 -7.600 6.342 1.00 0.00 C ATOM 870 OD1 ASP A 61 -9.797 -8.478 6.698 1.00 0.00 O ATOM 871 OD2 ASP A 61 -11.816 -7.612 6.663 1.00 0.00 O ATOM 0 H ASP A 61 -9.995 -4.881 7.509 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.052 -6.573 6.095 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.885 -5.706 5.386 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.908 -6.836 4.470 1.00 0.00 H new ATOM 876 N THR A 62 -7.454 -3.872 5.605 1.00 0.00 N ATOM 877 CA THR A 62 -6.923 -2.764 4.822 1.00 0.00 C ATOM 878 C THR A 62 -5.426 -2.596 5.052 1.00 0.00 C ATOM 879 O THR A 62 -4.957 -2.607 6.190 1.00 0.00 O ATOM 880 CB THR A 62 -7.635 -1.441 5.164 1.00 0.00 C ATOM 881 OG1 THR A 62 -9.029 -1.541 4.854 1.00 0.00 O ATOM 882 CG2 THR A 62 -7.021 -0.281 4.396 1.00 0.00 C ATOM 0 H THR A 62 -7.070 -3.945 6.547 1.00 0.00 H new ATOM 0 HA THR A 62 -7.102 -3.004 3.774 1.00 0.00 H new ATOM 0 HB THR A 62 -7.513 -1.254 6.231 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.475 -0.697 5.076 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.540 0.642 4.654 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.967 -0.189 4.657 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.115 -0.463 3.325 1.00 0.00 H new ATOM 890 N VAL A 63 -4.678 -2.440 3.964 1.00 0.00 N ATOM 891 CA VAL A 63 -3.232 -2.268 4.048 1.00 0.00 C ATOM 892 C VAL A 63 -2.855 -0.792 4.060 1.00 0.00 C ATOM 893 O VAL A 63 -2.991 -0.096 3.053 1.00 0.00 O ATOM 894 CB VAL A 63 -2.516 -2.961 2.874 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.044 -2.580 2.847 1.00 0.00 C ATOM 896 CG2 VAL A 63 -2.683 -4.471 2.964 1.00 0.00 C ATOM 0 H VAL A 63 -5.049 -2.429 3.014 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.911 -2.729 4.982 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.971 -2.623 1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.554 -3.079 2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.950 -1.500 2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.572 -2.887 3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.171 -4.944 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.255 -4.829 3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.743 -4.723 2.930 1.00 0.00 H new ATOM 906 N VAL A 64 -2.377 -0.318 5.207 1.00 0.00 N ATOM 907 CA VAL A 64 -1.977 1.077 5.350 1.00 0.00 C ATOM 908 C VAL A 64 -0.508 1.266 4.992 1.00 0.00 C ATOM 909 O VAL A 64 0.376 0.702 5.637 1.00 0.00 O ATOM 910 CB VAL A 64 -2.215 1.584 6.785 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.744 3.024 6.927 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.683 1.454 7.160 1.00 0.00 C ATOM 0 H VAL A 64 -2.258 -0.880 6.050 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.593 1.656 4.662 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.634 0.968 7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.920 3.365 7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.679 3.082 6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.296 3.657 6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.832 1.817 8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.288 2.044 6.472 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.982 0.408 7.101 1.00 0.00 H new ATOM 922 N ILE A 65 -0.253 2.064 3.961 1.00 0.00 N ATOM 923 CA ILE A 65 1.110 2.330 3.519 1.00 0.00 C ATOM 924 C ILE A 65 1.587 3.697 3.999 1.00 0.00 C ATOM 925 O ILE A 65 0.817 4.657 4.034 1.00 0.00 O ATOM 926 CB ILE A 65 1.226 2.268 1.985 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.630 0.961 1.458 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.680 2.404 1.557 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.406 0.957 -0.038 1.00 0.00 C ATOM 0 H ILE A 65 -0.973 2.538 3.416 1.00 0.00 H new ATOM 0 HA ILE A 65 1.740 1.555 3.955 1.00 0.00 H new ATOM 0 HB ILE A 65 0.663 3.099 1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.294 0.137 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.320 0.776 1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.745 2.358 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.074 3.359 1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.264 1.592 1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.018 -0.001 -0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.282 1.759 -0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.357 1.110 -0.549 1.00 0.00 H new ATOM 941 N ARG A 66 2.862 3.776 4.365 1.00 0.00 N ATOM 942 CA ARG A 66 3.442 5.026 4.843 1.00 0.00 C ATOM 943 C ARG A 66 4.716 5.363 4.073 1.00 0.00 C ATOM 944 O ARG A 66 5.483 4.475 3.704 1.00 0.00 O ATOM 945 CB ARG A 66 3.748 4.932 6.339 1.00 0.00 C ATOM 946 CG ARG A 66 2.581 5.335 7.226 1.00 0.00 C ATOM 947 CD ARG A 66 2.666 4.675 8.593 1.00 0.00 C ATOM 948 NE ARG A 66 1.963 5.444 9.616 1.00 0.00 N ATOM 949 CZ ARG A 66 2.245 5.372 10.913 1.00 0.00 C ATOM 950 NH1 ARG A 66 3.211 4.571 11.341 1.00 0.00 N ATOM 951 NH2 ARG A 66 1.560 6.103 11.783 1.00 0.00 N ATOM 0 H ARG A 66 3.513 2.991 4.340 1.00 0.00 H new ATOM 0 HA ARG A 66 2.716 5.822 4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.039 3.909 6.578 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.603 5.568 6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.570 6.419 7.344 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.644 5.057 6.744 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.243 3.672 8.538 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.712 4.564 8.878 1.00 0.00 H new ATOM 0 HE ARG A 66 1.215 6.071 9.319 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.740 4.008 10.674 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.425 4.518 12.337 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.817 6.721 11.457 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.777 6.047 12.778 1.00 0.00 H new ATOM 965 N GLY A 67 4.933 6.653 3.833 1.00 0.00 N ATOM 966 CA GLY A 67 6.113 7.084 3.107 1.00 0.00 C ATOM 967 C GLY A 67 5.831 8.249 2.180 1.00 0.00 C ATOM 968 O GLY A 67 4.768 8.868 2.232 1.00 0.00 O ATOM 0 H GLY A 67 4.313 7.407 4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.889 7.369 3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.504 6.248 2.526 1.00 0.00 H new ATOM 972 N PRO A 68 6.799 8.563 1.305 1.00 0.00 N ATOM 973 CA PRO A 68 6.672 9.664 0.347 1.00 0.00 C ATOM 974 C PRO A 68 5.649 9.368 -0.744 1.00 0.00 C ATOM 975 O PRO A 68 5.837 8.463 -1.557 1.00 0.00 O ATOM 976 CB PRO A 68 8.077 9.775 -0.254 1.00 0.00 C ATOM 977 CG PRO A 68 8.666 8.416 -0.089 1.00 0.00 C ATOM 978 CD PRO A 68 8.090 7.867 1.186 1.00 0.00 C ATOM 0 HA PRO A 68 6.323 10.580 0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.037 10.065 -1.304 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.670 10.529 0.262 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.417 7.777 -0.936 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.754 8.466 -0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.960 6.786 1.135 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.737 8.071 2.039 1.00 0.00 H new ATOM 986 N SER A 69 4.565 10.138 -0.757 1.00 0.00 N ATOM 987 CA SER A 69 3.509 9.956 -1.746 1.00 0.00 C ATOM 988 C SER A 69 4.096 9.587 -3.105 1.00 0.00 C ATOM 989 O SER A 69 3.633 8.653 -3.760 1.00 0.00 O ATOM 990 CB SER A 69 2.672 11.230 -1.869 1.00 0.00 C ATOM 991 OG SER A 69 3.491 12.356 -2.133 1.00 0.00 O ATOM 0 H SER A 69 4.395 10.894 -0.094 1.00 0.00 H new ATOM 0 HA SER A 69 2.869 9.140 -1.412 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.941 11.113 -2.669 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.113 11.392 -0.948 1.00 0.00 H new ATOM 0 HG SER A 69 2.931 13.157 -2.209 1.00 0.00 H new ATOM 997 N SER A 70 5.119 10.325 -3.521 1.00 0.00 N ATOM 998 CA SER A 70 5.769 10.079 -4.804 1.00 0.00 C ATOM 999 C SER A 70 6.008 8.587 -5.014 1.00 0.00 C ATOM 1000 O SER A 70 5.752 8.051 -6.092 1.00 0.00 O ATOM 1001 CB SER A 70 7.096 10.835 -4.881 1.00 0.00 C ATOM 1002 OG SER A 70 6.892 12.184 -5.265 1.00 0.00 O ATOM 0 H SER A 70 5.517 11.099 -2.989 1.00 0.00 H new ATOM 0 HA SER A 70 5.108 10.439 -5.593 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.595 10.801 -3.912 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.756 10.345 -5.597 1.00 0.00 H new ATOM 0 HG SER A 70 7.755 12.647 -5.305 1.00 0.00 H new ATOM 1008 N ASP A 71 6.501 7.921 -3.975 1.00 0.00 N ATOM 1009 CA ASP A 71 6.775 6.491 -4.043 1.00 0.00 C ATOM 1010 C ASP A 71 5.532 5.682 -3.689 1.00 0.00 C ATOM 1011 O ASP A 71 5.210 4.696 -4.351 1.00 0.00 O ATOM 1012 CB ASP A 71 7.923 6.124 -3.101 1.00 0.00 C ATOM 1013 CG ASP A 71 9.122 7.037 -3.266 1.00 0.00 C ATOM 1014 OD1 ASP A 71 8.991 8.070 -3.956 1.00 0.00 O ATOM 1015 OD2 ASP A 71 10.190 6.719 -2.704 1.00 0.00 O ATOM 0 H ASP A 71 6.719 8.349 -3.075 1.00 0.00 H new ATOM 0 HA ASP A 71 7.064 6.250 -5.066 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.573 6.172 -2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.226 5.094 -3.287 1.00 0.00 H new ATOM 1020 N VAL A 72 4.835 6.106 -2.639 1.00 0.00 N ATOM 1021 CA VAL A 72 3.626 5.421 -2.196 1.00 0.00 C ATOM 1022 C VAL A 72 2.723 5.083 -3.376 1.00 0.00 C ATOM 1023 O VAL A 72 2.269 3.948 -3.516 1.00 0.00 O ATOM 1024 CB VAL A 72 2.835 6.276 -1.187 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.571 5.551 -0.749 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.703 6.622 0.013 1.00 0.00 C ATOM 0 H VAL A 72 5.087 6.921 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 72 3.944 4.499 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 72 2.542 7.206 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.025 6.170 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.942 5.358 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.839 4.605 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.129 7.226 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.027 5.705 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.576 7.184 -0.319 1.00 0.00 H new ATOM 1036 N GLU A 73 2.467 6.075 -4.223 1.00 0.00 N ATOM 1037 CA GLU A 73 1.617 5.881 -5.391 1.00 0.00 C ATOM 1038 C GLU A 73 2.064 4.661 -6.193 1.00 0.00 C ATOM 1039 O GLU A 73 1.241 3.933 -6.747 1.00 0.00 O ATOM 1040 CB GLU A 73 1.643 7.126 -6.281 1.00 0.00 C ATOM 1041 CG GLU A 73 2.841 7.183 -7.214 1.00 0.00 C ATOM 1042 CD GLU A 73 2.704 8.259 -8.274 1.00 0.00 C ATOM 1043 OE1 GLU A 73 1.712 8.222 -9.032 1.00 0.00 O ATOM 1044 OE2 GLU A 73 3.589 9.137 -8.347 1.00 0.00 O ATOM 0 H GLU A 73 2.836 7.021 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 73 0.598 5.713 -5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.729 7.157 -6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.643 8.014 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.743 7.366 -6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.966 6.215 -7.699 1.00 0.00 H new ATOM 1051 N LYS A 74 3.374 4.446 -6.250 1.00 0.00 N ATOM 1052 CA LYS A 74 3.932 3.315 -6.982 1.00 0.00 C ATOM 1053 C LYS A 74 3.746 2.017 -6.203 1.00 0.00 C ATOM 1054 O LYS A 74 3.448 0.972 -6.781 1.00 0.00 O ATOM 1055 CB LYS A 74 5.419 3.546 -7.261 1.00 0.00 C ATOM 1056 CG LYS A 74 5.715 4.880 -7.924 1.00 0.00 C ATOM 1057 CD LYS A 74 5.140 4.942 -9.330 1.00 0.00 C ATOM 1058 CE LYS A 74 6.121 4.395 -10.357 1.00 0.00 C ATOM 1059 NZ LYS A 74 7.296 5.293 -10.534 1.00 0.00 N ATOM 0 H LYS A 74 4.069 5.040 -5.798 1.00 0.00 H new ATOM 0 HA LYS A 74 3.399 3.229 -7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.969 3.487 -6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.789 2.743 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.297 5.687 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.793 5.037 -7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.213 4.371 -9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.890 5.974 -9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.462 3.408 -10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.613 4.268 -11.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.736 5.111 -11.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.985 6.284 -10.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.989 5.111 -9.780 1.00 0.00 H new ATOM 1073 N ALA A 75 3.921 2.091 -4.888 1.00 0.00 N ATOM 1074 CA ALA A 75 3.768 0.923 -4.030 1.00 0.00 C ATOM 1075 C ALA A 75 2.334 0.404 -4.059 1.00 0.00 C ATOM 1076 O ALA A 75 2.102 -0.804 -4.112 1.00 0.00 O ATOM 1077 CB ALA A 75 4.182 1.257 -2.604 1.00 0.00 C ATOM 0 H ALA A 75 4.169 2.948 -4.393 1.00 0.00 H new ATOM 0 HA ALA A 75 4.419 0.136 -4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.062 0.375 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.225 1.572 -2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.555 2.063 -2.222 1.00 0.00 H new ATOM 1083 N LYS A 76 1.377 1.323 -4.024 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.035 0.960 -4.047 1.00 0.00 C ATOM 1085 C LYS A 76 -0.395 0.260 -5.354 1.00 0.00 C ATOM 1086 O LYS A 76 -0.884 -0.870 -5.352 1.00 0.00 O ATOM 1087 CB LYS A 76 -0.907 2.204 -3.865 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.397 1.923 -3.962 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.206 3.208 -3.991 1.00 0.00 C ATOM 1090 CE LYS A 76 -4.625 2.985 -3.491 1.00 0.00 C ATOM 1091 NZ LYS A 76 -5.534 4.095 -3.889 1.00 0.00 N ATOM 0 H LYS A 76 1.553 2.327 -3.980 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.221 0.271 -3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.692 2.649 -2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.635 2.942 -4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.601 1.343 -4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.709 1.314 -3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.716 3.962 -3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.235 3.598 -5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.006 2.044 -3.887 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.617 2.894 -2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.491 3.906 -3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.185 4.990 -3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.562 4.166 -4.926 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.150 0.938 -6.470 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.446 0.382 -7.785 1.00 0.00 C ATOM 1107 C LYS A 77 0.133 -1.023 -7.924 1.00 0.00 C ATOM 1108 O LYS A 77 -0.403 -1.855 -8.654 1.00 0.00 O ATOM 1109 CB LYS A 77 0.117 1.288 -8.882 1.00 0.00 C ATOM 1110 CG LYS A 77 1.618 1.154 -9.071 1.00 0.00 C ATOM 1111 CD LYS A 77 2.047 1.604 -10.458 1.00 0.00 C ATOM 1112 CE LYS A 77 1.772 0.531 -11.502 1.00 0.00 C ATOM 1113 NZ LYS A 77 1.620 1.110 -12.865 1.00 0.00 N ATOM 0 H LYS A 77 0.253 1.875 -6.490 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.529 0.322 -7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.381 1.057 -9.824 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.119 2.325 -8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.135 1.749 -8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.914 0.116 -8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.517 2.518 -10.725 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.110 1.843 -10.452 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.588 -0.192 -11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.865 -0.012 -11.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.434 0.347 -13.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.826 1.781 -12.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.494 1.607 -13.131 1.00 0.00 H new ATOM 1127 N GLN A 78 1.229 -1.278 -7.217 1.00 0.00 N ATOM 1128 CA GLN A 78 1.879 -2.584 -7.261 1.00 0.00 C ATOM 1129 C GLN A 78 1.131 -3.594 -6.398 1.00 0.00 C ATOM 1130 O GLN A 78 0.852 -4.712 -6.835 1.00 0.00 O ATOM 1131 CB GLN A 78 3.331 -2.470 -6.792 1.00 0.00 C ATOM 1132 CG GLN A 78 4.283 -1.980 -7.872 1.00 0.00 C ATOM 1133 CD GLN A 78 5.726 -2.346 -7.587 1.00 0.00 C ATOM 1134 OE1 GLN A 78 6.041 -3.503 -7.305 1.00 0.00 O ATOM 1135 NE2 GLN A 78 6.612 -1.361 -7.659 1.00 0.00 N ATOM 0 H GLN A 78 1.686 -0.599 -6.608 1.00 0.00 H new ATOM 0 HA GLN A 78 1.864 -2.935 -8.293 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.377 -1.789 -5.942 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.667 -3.444 -6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.987 -2.404 -8.832 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.198 -0.897 -7.962 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.307 -0.417 -7.896 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.598 -1.548 -7.477 1.00 0.00 H new ATOM 1144 N LEU A 79 0.809 -3.195 -5.174 1.00 0.00 N ATOM 1145 CA LEU A 79 0.093 -4.066 -4.249 1.00 0.00 C ATOM 1146 C LEU A 79 -1.283 -4.429 -4.797 1.00 0.00 C ATOM 1147 O LEU A 79 -1.703 -5.586 -4.737 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.052 -3.388 -2.885 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.087 -4.318 -1.672 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.324 -4.662 -1.222 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -0.872 -3.681 -0.534 1.00 0.00 C ATOM 0 H LEU A 79 1.032 -2.273 -4.798 1.00 0.00 H new ATOM 0 HA LEU A 79 0.671 -4.983 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.776 -2.691 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.968 -2.797 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.589 -5.241 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.279 -5.325 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.854 -5.160 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.853 -3.748 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.887 -4.357 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.399 -2.742 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.894 -3.487 -0.861 1.00 0.00 H new ATOM 1163 N LEU A 80 -1.982 -3.435 -5.333 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.311 -3.649 -5.895 1.00 0.00 C ATOM 1165 C LEU A 80 -3.267 -4.682 -7.018 1.00 0.00 C ATOM 1166 O LEU A 80 -4.125 -5.562 -7.099 1.00 0.00 O ATOM 1167 CB LEU A 80 -3.882 -2.332 -6.421 1.00 0.00 C ATOM 1168 CG LEU A 80 -4.713 -1.516 -5.429 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -3.850 -1.052 -4.266 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -5.359 -0.327 -6.125 1.00 0.00 C ATOM 0 H LEU A 80 -1.650 -2.472 -5.390 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.957 -4.027 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.054 -1.713 -6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.502 -2.550 -7.291 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.504 -2.154 -5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.458 -0.473 -3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.436 -1.919 -3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.037 -0.431 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.946 0.242 -5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.584 0.313 -6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.010 -0.683 -6.923 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.262 -4.568 -7.880 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.105 -5.494 -8.997 1.00 0.00 C ATOM 1184 C HIS A 81 -1.906 -6.921 -8.495 1.00 0.00 C ATOM 1185 O HIS A 81 -2.504 -7.863 -9.017 1.00 0.00 O ATOM 1186 CB HIS A 81 -0.920 -5.078 -9.869 1.00 0.00 C ATOM 1187 CG HIS A 81 -0.934 -5.696 -11.233 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -1.965 -5.512 -12.132 1.00 0.00 N ATOM 1189 CD2 HIS A 81 -0.037 -6.497 -11.852 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -1.700 -6.175 -13.242 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -0.535 -6.781 -13.099 1.00 0.00 N ATOM 0 H HIS A 81 -1.545 -3.845 -7.827 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.016 -5.461 -9.595 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -0.918 -3.993 -9.971 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.006 -5.353 -9.364 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.898 -6.848 -11.441 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.329 -6.215 -14.119 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.080 -7.365 -13.801 1.00 0.00 H new ATOM 1199 N LEU A 82 -1.063 -7.075 -7.479 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.784 -8.387 -6.907 1.00 0.00 C ATOM 1201 C LEU A 82 -2.002 -8.926 -6.164 1.00 0.00 C ATOM 1202 O LEU A 82 -2.529 -9.986 -6.502 1.00 0.00 O ATOM 1203 CB LEU A 82 0.413 -8.308 -5.960 1.00 0.00 C ATOM 1204 CG LEU A 82 1.689 -7.696 -6.540 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.636 -7.280 -5.425 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.371 -8.678 -7.482 1.00 0.00 C ATOM 0 H LEU A 82 -0.561 -6.306 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.548 -9.070 -7.723 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.121 -7.727 -5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.643 -9.315 -5.612 1.00 0.00 H new ATOM 0 HG LEU A 82 1.417 -6.807 -7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.538 -6.847 -5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.147 -6.542 -4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.902 -8.153 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.277 -8.226 -7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.630 -9.585 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.695 -8.927 -8.300 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.444 -8.189 -5.151 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.602 -8.591 -4.361 1.00 0.00 C ATOM 1220 C ALA A 83 -4.660 -9.253 -5.238 1.00 0.00 C ATOM 1221 O ALA A 83 -5.155 -10.333 -4.918 1.00 0.00 O ATOM 1222 CB ALA A 83 -4.191 -7.388 -3.638 1.00 0.00 C ATOM 0 H ALA A 83 -2.018 -7.310 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.272 -9.320 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.055 -7.703 -3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.440 -6.958 -2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.501 -6.640 -4.368 1.00 0.00 H new ATOM 1228 N GLU A 84 -5.001 -8.598 -6.343 1.00 0.00 N ATOM 1229 CA GLU A 84 -6.002 -9.125 -7.264 1.00 0.00 C ATOM 1230 C GLU A 84 -5.514 -10.414 -7.919 1.00 0.00 C ATOM 1231 O GLU A 84 -6.262 -11.384 -8.035 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.335 -8.088 -8.338 1.00 0.00 C ATOM 1233 CG GLU A 84 -7.082 -6.876 -7.806 1.00 0.00 C ATOM 1234 CD GLU A 84 -8.416 -7.241 -7.185 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -9.348 -7.586 -7.940 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -8.529 -7.180 -5.942 1.00 0.00 O ATOM 0 H GLU A 84 -4.600 -7.703 -6.622 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.903 -9.347 -6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.410 -7.756 -8.809 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.936 -8.562 -9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.465 -6.371 -7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.245 -6.168 -8.619 1.00 0.00 H new ATOM 1243 N GLU A 85 -4.255 -10.414 -8.346 1.00 0.00 N ATOM 1244 CA GLU A 85 -3.668 -11.583 -8.991 1.00 0.00 C ATOM 1245 C GLU A 85 -3.688 -12.788 -8.055 1.00 0.00 C ATOM 1246 O GLU A 85 -4.243 -13.836 -8.385 1.00 0.00 O ATOM 1247 CB GLU A 85 -2.232 -11.284 -9.426 1.00 0.00 C ATOM 1248 CG GLU A 85 -2.129 -10.697 -10.824 1.00 0.00 C ATOM 1249 CD GLU A 85 -2.870 -11.521 -11.859 1.00 0.00 C ATOM 1250 OE1 GLU A 85 -2.841 -12.765 -11.757 1.00 0.00 O ATOM 1251 OE2 GLU A 85 -3.478 -10.921 -12.771 1.00 0.00 O ATOM 0 H GLU A 85 -3.623 -9.619 -8.257 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.265 -11.820 -9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.783 -10.590 -8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.649 -12.204 -9.384 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.529 -9.683 -10.818 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.079 -10.624 -11.107 1.00 0.00 H new ATOM 1258 N LYS A 86 -3.078 -12.631 -6.885 1.00 0.00 N ATOM 1259 CA LYS A 86 -3.025 -13.704 -5.899 1.00 0.00 C ATOM 1260 C LYS A 86 -4.369 -14.418 -5.800 1.00 0.00 C ATOM 1261 O LYS A 86 -4.473 -15.606 -6.103 1.00 0.00 O ATOM 1262 CB LYS A 86 -2.629 -13.147 -4.530 1.00 0.00 C ATOM 1263 CG LYS A 86 -1.127 -13.078 -4.313 1.00 0.00 C ATOM 1264 CD LYS A 86 -0.478 -12.054 -5.230 1.00 0.00 C ATOM 1265 CE LYS A 86 1.036 -12.199 -5.246 1.00 0.00 C ATOM 1266 NZ LYS A 86 1.483 -13.229 -6.224 1.00 0.00 N ATOM 0 H LYS A 86 -2.613 -11.770 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.274 -14.424 -6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.050 -12.148 -4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.072 -13.769 -3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.920 -12.821 -3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.687 -14.059 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.866 -12.172 -6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.745 -11.049 -4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.490 -11.240 -5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.386 -12.468 -4.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.521 -13.298 -6.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.070 -14.150 -5.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.171 -12.960 -7.179 1.00 0.00 H new