USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 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 17 ASN : amide:sc= -0.405 K(o=-0.4,f=-2.9!) USER MOD Single : A 18 ASN : amide:sc= -0.0609 K(o=-0.061,f=-1.8!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0378 USER MOD Single : A 29 SER OG : rot 81:sc= 0.707 USER MOD Single : A 30 LYS NZ :NH3+ 143:sc= 1.25 (180deg=0.626) USER MOD Single : A 40 LYS NZ :NH3+ 163:sc=-0.00524 (180deg=-0.124) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -33:sc= 1.21 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -138:sc= 1.91 (180deg=-0.91) USER MOD Single : A 68 GLN : amide:sc= -0.0663 X(o=-0.066,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -107:sc= 1.19 (180deg=-0.0122) USER MOD Single : A 81 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.21) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.136! C(o=-0.14!,f=-3.5!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.049 K(o=-0.049,f=-0.61) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 11.006 -2.664 -4.325 1.00 0.00 N ATOM 191 CA ILE A 16 9.781 -1.946 -4.658 1.00 0.00 C ATOM 192 C ILE A 16 8.574 -2.880 -4.626 1.00 0.00 C ATOM 193 O ILE A 16 7.531 -2.543 -4.065 1.00 0.00 O ATOM 194 CB ILE A 16 9.880 -1.283 -6.050 1.00 0.00 C ATOM 195 CG1 ILE A 16 11.052 -0.298 -6.086 1.00 0.00 C ATOM 196 CG2 ILE A 16 8.577 -0.579 -6.410 1.00 0.00 C ATOM 197 CD1 ILE A 16 11.794 -0.288 -7.406 1.00 0.00 C ATOM 0 HA ILE A 16 9.650 -1.167 -3.906 1.00 0.00 H new ATOM 0 HB ILE A 16 10.057 -2.063 -6.790 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.679 0.705 -5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.751 -0.548 -5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.671 -0.120 -7.394 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.763 -1.304 -6.424 1.00 0.00 H new ATOM 0 HG23 ILE A 16 8.363 0.192 -5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.611 0.432 -7.359 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.197 -1.281 -7.604 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.109 -0.008 -8.206 1.00 0.00 H new ATOM 209 N ASN A 17 8.726 -4.061 -5.212 1.00 0.00 N ATOM 210 CA ASN A 17 7.646 -5.045 -5.231 1.00 0.00 C ATOM 211 C ASN A 17 7.343 -5.545 -3.824 1.00 0.00 C ATOM 212 O ASN A 17 6.195 -5.840 -3.490 1.00 0.00 O ATOM 213 CB ASN A 17 8.005 -6.221 -6.139 1.00 0.00 C ATOM 214 CG ASN A 17 6.937 -6.495 -7.181 1.00 0.00 C ATOM 215 OD1 ASN A 17 5.876 -5.871 -7.186 1.00 0.00 O ATOM 216 ND2 ASN A 17 7.214 -7.429 -8.078 1.00 0.00 N ATOM 0 H ASN A 17 9.582 -4.362 -5.679 1.00 0.00 H new ATOM 0 HA ASN A 17 6.754 -4.557 -5.625 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.952 -6.015 -6.639 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.153 -7.114 -5.531 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.536 -7.653 -8.807 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.105 -7.924 -8.040 1.00 0.00 H new ATOM 223 N ASN A 18 8.376 -5.614 -2.993 1.00 0.00 N ATOM 224 CA ASN A 18 8.222 -6.050 -1.611 1.00 0.00 C ATOM 225 C ASN A 18 7.463 -5.010 -0.801 1.00 0.00 C ATOM 226 O ASN A 18 6.512 -5.336 -0.100 1.00 0.00 O ATOM 227 CB ASN A 18 9.587 -6.306 -0.970 1.00 0.00 C ATOM 228 CG ASN A 18 9.502 -7.246 0.214 1.00 0.00 C ATOM 229 OD1 ASN A 18 8.561 -8.029 0.333 1.00 0.00 O ATOM 230 ND2 ASN A 18 10.481 -7.174 1.100 1.00 0.00 N ATOM 0 H ASN A 18 9.332 -5.373 -3.254 1.00 0.00 H new ATOM 0 HA ASN A 18 7.653 -6.980 -1.615 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.262 -6.725 -1.716 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.017 -5.358 -0.647 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.473 -7.782 1.919 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.244 -6.511 0.964 1.00 0.00 H new ATOM 237 N TYR A 19 7.901 -3.758 -0.889 1.00 0.00 N ATOM 238 CA TYR A 19 7.275 -2.673 -0.144 1.00 0.00 C ATOM 239 C TYR A 19 5.822 -2.477 -0.578 1.00 0.00 C ATOM 240 O TYR A 19 4.951 -2.216 0.254 1.00 0.00 O ATOM 241 CB TYR A 19 8.106 -1.383 -0.291 1.00 0.00 C ATOM 242 CG TYR A 19 7.426 -0.234 -1.014 1.00 0.00 C ATOM 243 CD1 TYR A 19 6.534 0.607 -0.356 1.00 0.00 C ATOM 244 CD2 TYR A 19 7.693 0.019 -2.354 1.00 0.00 C ATOM 245 CE1 TYR A 19 5.931 1.662 -1.014 1.00 0.00 C ATOM 246 CE2 TYR A 19 7.091 1.071 -3.017 1.00 0.00 C ATOM 247 CZ TYR A 19 6.212 1.889 -2.343 1.00 0.00 C ATOM 248 OH TYR A 19 5.615 2.942 -2.997 1.00 0.00 O ATOM 0 H TYR A 19 8.688 -3.470 -1.470 1.00 0.00 H new ATOM 0 HA TYR A 19 7.253 -2.935 0.914 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.391 -1.042 0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.027 -1.626 -0.821 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.309 0.432 0.686 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.383 -0.618 -2.887 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.242 2.306 -0.488 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.309 1.251 -4.059 1.00 0.00 H new ATOM 0 HH TYR A 19 5.920 2.964 -3.928 1.00 0.00 H new ATOM 258 N ALA A 20 5.551 -2.693 -1.861 1.00 0.00 N ATOM 259 CA ALA A 20 4.190 -2.628 -2.376 1.00 0.00 C ATOM 260 C ALA A 20 3.353 -3.765 -1.800 1.00 0.00 C ATOM 261 O ALA A 20 2.201 -3.570 -1.404 1.00 0.00 O ATOM 262 CB ALA A 20 4.192 -2.681 -3.896 1.00 0.00 C ATOM 0 H ALA A 20 6.257 -2.915 -2.563 1.00 0.00 H new ATOM 0 HA ALA A 20 3.746 -1.681 -2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.167 -2.631 -4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.759 -1.837 -4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.651 -3.613 -4.227 1.00 0.00 H new ATOM 268 N GLY A 21 3.961 -4.943 -1.710 1.00 0.00 N ATOM 269 CA GLY A 21 3.289 -6.090 -1.133 1.00 0.00 C ATOM 270 C GLY A 21 3.062 -5.932 0.356 1.00 0.00 C ATOM 271 O GLY A 21 2.060 -6.404 0.889 1.00 0.00 O ATOM 0 H GLY A 21 4.913 -5.123 -2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.331 -6.236 -1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.882 -6.986 -1.315 1.00 0.00 H new ATOM 275 N GLN A 22 3.989 -5.251 1.024 1.00 0.00 N ATOM 276 CA GLN A 22 3.894 -5.008 2.461 1.00 0.00 C ATOM 277 C GLN A 22 2.637 -4.211 2.793 1.00 0.00 C ATOM 278 O GLN A 22 1.984 -4.454 3.811 1.00 0.00 O ATOM 279 CB GLN A 22 5.127 -4.251 2.952 1.00 0.00 C ATOM 280 CG GLN A 22 6.394 -5.087 2.959 1.00 0.00 C ATOM 281 CD GLN A 22 6.726 -5.631 4.332 1.00 0.00 C ATOM 282 OE1 GLN A 22 6.457 -6.793 4.635 1.00 0.00 O ATOM 283 NE2 GLN A 22 7.315 -4.793 5.171 1.00 0.00 N ATOM 0 H GLN A 22 4.822 -4.854 0.589 1.00 0.00 H new ATOM 0 HA GLN A 22 3.840 -5.973 2.965 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.282 -3.378 2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.939 -3.884 3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.281 -5.917 2.261 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.227 -4.481 2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.520 -3.838 4.878 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.564 -5.103 6.110 1.00 0.00 H new ATOM 292 N ILE A 23 2.281 -3.288 1.905 1.00 0.00 N ATOM 293 CA ILE A 23 1.075 -2.487 2.075 1.00 0.00 C ATOM 294 C ILE A 23 -0.147 -3.401 2.060 1.00 0.00 C ATOM 295 O ILE A 23 -1.070 -3.252 2.862 1.00 0.00 O ATOM 296 CB ILE A 23 0.934 -1.416 0.953 1.00 0.00 C ATOM 297 CG1 ILE A 23 2.009 -0.320 1.059 1.00 0.00 C ATOM 298 CG2 ILE A 23 -0.451 -0.783 0.983 1.00 0.00 C ATOM 299 CD1 ILE A 23 2.818 -0.343 2.337 1.00 0.00 C ATOM 0 H ILE A 23 2.811 -3.077 1.060 1.00 0.00 H new ATOM 0 HA ILE A 23 1.147 -1.967 3.030 1.00 0.00 H new ATOM 0 HB ILE A 23 1.075 -1.933 0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.690 -0.416 0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.525 0.653 0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.528 -0.038 0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.207 -1.554 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.611 -0.304 1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.549 0.465 2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.153 -0.213 3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.336 -1.298 2.423 1.00 0.00 H new ATOM 311 N LYS A 24 -0.113 -4.377 1.163 1.00 0.00 N ATOM 312 CA LYS A 24 -1.180 -5.356 1.046 1.00 0.00 C ATOM 313 C LYS A 24 -1.262 -6.237 2.288 1.00 0.00 C ATOM 314 O LYS A 24 -2.342 -6.437 2.827 1.00 0.00 O ATOM 315 CB LYS A 24 -0.970 -6.222 -0.192 1.00 0.00 C ATOM 316 CG LYS A 24 -1.268 -5.500 -1.493 1.00 0.00 C ATOM 317 CD LYS A 24 -1.799 -6.460 -2.546 1.00 0.00 C ATOM 318 CE LYS A 24 -1.573 -5.926 -3.948 1.00 0.00 C ATOM 319 NZ LYS A 24 -0.880 -6.915 -4.811 1.00 0.00 N ATOM 0 H LYS A 24 0.651 -4.510 0.501 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.121 -4.814 0.950 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.062 -6.574 -0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.607 -7.104 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.999 -4.711 -1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.362 -5.018 -1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.307 -7.427 -2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.864 -6.625 -2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.531 -5.662 -4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.982 -5.011 -3.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.744 -6.512 -5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.046 -7.148 -4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.455 -7.779 -4.880 1.00 0.00 H new ATOM 333 N SER A 25 -0.122 -6.762 2.733 1.00 0.00 N ATOM 334 CA SER A 25 -0.078 -7.634 3.908 1.00 0.00 C ATOM 335 C SER A 25 -0.726 -6.970 5.128 1.00 0.00 C ATOM 336 O SER A 25 -1.417 -7.627 5.913 1.00 0.00 O ATOM 337 CB SER A 25 1.372 -8.009 4.225 1.00 0.00 C ATOM 338 OG SER A 25 2.101 -8.270 3.035 1.00 0.00 O ATOM 0 H SER A 25 0.786 -6.599 2.298 1.00 0.00 H new ATOM 0 HA SER A 25 -0.646 -8.535 3.678 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.848 -7.199 4.778 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.392 -8.889 4.868 1.00 0.00 H new ATOM 0 HG SER A 25 3.025 -8.506 3.262 1.00 0.00 H new ATOM 344 N ALA A 26 -0.534 -5.662 5.253 1.00 0.00 N ATOM 345 CA ALA A 26 -1.131 -4.899 6.341 1.00 0.00 C ATOM 346 C ALA A 26 -2.650 -4.849 6.205 1.00 0.00 C ATOM 347 O ALA A 26 -3.378 -4.911 7.196 1.00 0.00 O ATOM 348 CB ALA A 26 -0.562 -3.490 6.363 1.00 0.00 C ATOM 0 H ALA A 26 0.032 -5.107 4.612 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.890 -5.397 7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.014 -2.928 7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.517 -3.536 6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.780 -2.995 5.417 1.00 0.00 H new ATOM 354 N ILE A 27 -3.112 -4.694 4.975 1.00 0.00 N ATOM 355 CA ILE A 27 -4.535 -4.580 4.682 1.00 0.00 C ATOM 356 C ILE A 27 -5.228 -5.944 4.734 1.00 0.00 C ATOM 357 O ILE A 27 -6.348 -6.064 5.228 1.00 0.00 O ATOM 358 CB ILE A 27 -4.745 -3.944 3.292 1.00 0.00 C ATOM 359 CG1 ILE A 27 -4.212 -2.508 3.290 1.00 0.00 C ATOM 360 CG2 ILE A 27 -6.213 -3.982 2.888 1.00 0.00 C ATOM 361 CD1 ILE A 27 -4.377 -1.796 1.963 1.00 0.00 C ATOM 0 H ILE A 27 -2.513 -4.643 4.151 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.979 -3.941 5.445 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.188 -4.524 2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.727 -1.938 4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.155 -2.522 3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.332 -3.527 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.554 -5.017 2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.805 -3.429 3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.976 -0.785 2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.839 -2.342 1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.435 -1.748 1.705 1.00 0.00 H new ATOM 373 N GLU A 28 -4.570 -6.954 4.179 1.00 0.00 N ATOM 374 CA GLU A 28 -5.126 -8.303 4.103 1.00 0.00 C ATOM 375 C GLU A 28 -5.530 -8.824 5.478 1.00 0.00 C ATOM 376 O GLU A 28 -6.515 -9.548 5.612 1.00 0.00 O ATOM 377 CB GLU A 28 -4.107 -9.258 3.473 1.00 0.00 C ATOM 378 CG GLU A 28 -3.811 -8.965 2.011 1.00 0.00 C ATOM 379 CD GLU A 28 -2.704 -9.843 1.453 1.00 0.00 C ATOM 380 OE1 GLU A 28 -2.620 -11.024 1.846 1.00 0.00 O ATOM 381 OE2 GLU A 28 -1.915 -9.357 0.617 1.00 0.00 O ATOM 0 H GLU A 28 -3.640 -6.864 3.770 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.020 -8.255 3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.177 -9.207 4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.478 -10.279 3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.717 -9.112 1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.528 -7.918 1.904 1.00 0.00 H new ATOM 388 N SER A 29 -4.725 -8.513 6.481 1.00 0.00 N ATOM 389 CA SER A 29 -4.950 -9.017 7.829 1.00 0.00 C ATOM 390 C SER A 29 -5.786 -8.047 8.669 1.00 0.00 C ATOM 391 O SER A 29 -5.897 -8.202 9.887 1.00 0.00 O ATOM 392 CB SER A 29 -3.600 -9.278 8.491 1.00 0.00 C ATOM 393 OG SER A 29 -2.647 -9.704 7.526 1.00 0.00 O ATOM 0 H SER A 29 -3.906 -7.912 6.388 1.00 0.00 H new ATOM 0 HA SER A 29 -5.517 -9.946 7.764 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.248 -8.371 8.983 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.708 -10.039 9.264 1.00 0.00 H new ATOM 0 HG SER A 29 -2.289 -8.924 7.053 1.00 0.00 H new ATOM 399 N LYS A 30 -6.432 -7.096 8.004 1.00 0.00 N ATOM 400 CA LYS A 30 -7.323 -6.149 8.664 1.00 0.00 C ATOM 401 C LYS A 30 -8.374 -5.727 7.661 1.00 0.00 C ATOM 402 O LYS A 30 -8.687 -4.544 7.525 1.00 0.00 O ATOM 403 CB LYS A 30 -6.550 -4.920 9.157 1.00 0.00 C ATOM 404 CG LYS A 30 -5.836 -5.136 10.478 1.00 0.00 C ATOM 405 CD LYS A 30 -5.166 -3.864 10.963 1.00 0.00 C ATOM 406 CE LYS A 30 -4.715 -3.986 12.408 1.00 0.00 C ATOM 407 NZ LYS A 30 -3.630 -3.024 12.733 1.00 0.00 N ATOM 0 H LYS A 30 -6.353 -6.960 6.996 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.783 -6.620 9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.818 -4.635 8.401 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.242 -4.084 9.261 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.550 -5.481 11.226 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.089 -5.921 10.365 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.307 -3.641 10.331 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.858 -3.028 10.867 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.564 -3.813 13.069 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.368 -5.002 12.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.759 -2.670 13.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.709 -3.501 12.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.662 -2.226 12.066 1.00 0.00 H new ATOM 421 N PHE A 31 -8.714 -6.680 6.808 1.00 0.00 N ATOM 422 CA PHE A 31 -9.491 -6.422 5.626 1.00 0.00 C ATOM 423 C PHE A 31 -10.852 -5.800 5.922 1.00 0.00 C ATOM 424 O PHE A 31 -11.272 -4.888 5.210 1.00 0.00 O ATOM 425 CB PHE A 31 -9.654 -7.727 4.840 1.00 0.00 C ATOM 426 CG PHE A 31 -10.287 -8.862 5.602 1.00 0.00 C ATOM 427 CD1 PHE A 31 -9.568 -9.581 6.544 1.00 0.00 C ATOM 428 CD2 PHE A 31 -11.604 -9.216 5.358 1.00 0.00 C ATOM 429 CE1 PHE A 31 -10.151 -10.627 7.228 1.00 0.00 C ATOM 430 CE2 PHE A 31 -12.193 -10.262 6.040 1.00 0.00 C ATOM 431 CZ PHE A 31 -11.466 -10.967 6.977 1.00 0.00 C ATOM 0 H PHE A 31 -8.452 -7.659 6.925 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.950 -5.686 5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.256 -7.526 3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.672 -8.048 4.492 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.540 -9.319 6.745 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -12.177 -8.667 4.625 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.580 -11.180 7.959 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -13.221 -10.528 5.840 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.925 -11.784 7.514 1.00 0.00 H new ATOM 544 N LYS A 40 -11.990 -7.666 -7.878 1.00 0.00 N ATOM 545 CA LYS A 40 -12.190 -6.248 -8.095 1.00 0.00 C ATOM 546 C LYS A 40 -10.855 -5.526 -7.996 1.00 0.00 C ATOM 547 O LYS A 40 -9.908 -6.042 -7.407 1.00 0.00 O ATOM 548 CB LYS A 40 -13.174 -5.683 -7.066 1.00 0.00 C ATOM 549 CG LYS A 40 -14.576 -5.484 -7.609 1.00 0.00 C ATOM 550 CD LYS A 40 -15.362 -6.786 -7.613 1.00 0.00 C ATOM 551 CE LYS A 40 -16.218 -6.915 -8.860 1.00 0.00 C ATOM 552 NZ LYS A 40 -15.401 -7.144 -10.082 1.00 0.00 N ATOM 0 HA LYS A 40 -12.609 -6.096 -9.090 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.218 -6.356 -6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.796 -4.728 -6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -15.100 -4.743 -7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -14.522 -5.087 -8.623 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.673 -7.628 -7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.997 -6.832 -6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.919 -7.740 -8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.811 -6.010 -8.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.009 -7.508 -10.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.968 -6.248 -10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.654 -7.837 -9.875 1.00 0.00 H new ATOM 566 N THR A 41 -10.783 -4.336 -8.565 1.00 0.00 N ATOM 567 CA THR A 41 -9.564 -3.544 -8.530 1.00 0.00 C ATOM 568 C THR A 41 -9.886 -2.100 -8.170 1.00 0.00 C ATOM 569 O THR A 41 -10.916 -1.567 -8.586 1.00 0.00 O ATOM 570 CB THR A 41 -8.824 -3.593 -9.884 1.00 0.00 C ATOM 571 OG1 THR A 41 -9.209 -4.774 -10.603 1.00 0.00 O ATOM 572 CG2 THR A 41 -7.315 -3.589 -9.685 1.00 0.00 C ATOM 0 H THR A 41 -11.558 -3.894 -9.060 1.00 0.00 H new ATOM 0 HA THR A 41 -8.911 -3.970 -7.769 1.00 0.00 H new ATOM 0 HB THR A 41 -9.098 -2.706 -10.454 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.739 -4.801 -11.463 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.820 -3.624 -10.655 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.020 -2.681 -9.160 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.023 -4.459 -9.097 1.00 0.00 H new ATOM 580 N CYS A 42 -9.055 -1.502 -7.332 1.00 0.00 N ATOM 581 CA CYS A 42 -9.308 -0.156 -6.853 1.00 0.00 C ATOM 582 C CYS A 42 -8.008 0.609 -6.653 1.00 0.00 C ATOM 583 O CYS A 42 -7.265 0.357 -5.708 1.00 0.00 O ATOM 584 CB CYS A 42 -10.096 -0.202 -5.545 1.00 0.00 C ATOM 585 SG CYS A 42 -11.726 0.598 -5.643 1.00 0.00 S ATOM 0 H CYS A 42 -8.201 -1.928 -6.971 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.897 0.366 -7.607 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.229 -1.242 -5.248 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.511 0.280 -4.762 1.00 0.00 H new ATOM 590 N THR A 43 -7.757 1.561 -7.530 1.00 0.00 N ATOM 591 CA THR A 43 -6.569 2.388 -7.438 1.00 0.00 C ATOM 592 C THR A 43 -6.711 3.412 -6.320 1.00 0.00 C ATOM 593 O THR A 43 -7.511 4.342 -6.414 1.00 0.00 O ATOM 594 CB THR A 43 -6.309 3.113 -8.767 1.00 0.00 C ATOM 595 OG1 THR A 43 -6.692 2.267 -9.858 1.00 0.00 O ATOM 596 CG2 THR A 43 -4.844 3.495 -8.905 1.00 0.00 C ATOM 0 H THR A 43 -8.364 1.782 -8.319 1.00 0.00 H new ATOM 0 HA THR A 43 -5.724 1.735 -7.217 1.00 0.00 H new ATOM 0 HB THR A 43 -6.903 4.027 -8.782 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.533 1.330 -9.617 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.689 4.007 -9.855 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.562 4.157 -8.086 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.229 2.596 -8.873 1.00 0.00 H new ATOM 604 N LEU A 44 -5.907 3.260 -5.284 1.00 0.00 N ATOM 605 CA LEU A 44 -5.916 4.199 -4.177 1.00 0.00 C ATOM 606 C LEU A 44 -4.713 5.115 -4.267 1.00 0.00 C ATOM 607 O LEU A 44 -3.572 4.657 -4.217 1.00 0.00 O ATOM 608 CB LEU A 44 -5.903 3.472 -2.831 1.00 0.00 C ATOM 609 CG LEU A 44 -6.984 2.410 -2.646 1.00 0.00 C ATOM 610 CD1 LEU A 44 -6.661 1.532 -1.449 1.00 0.00 C ATOM 611 CD2 LEU A 44 -8.346 3.066 -2.475 1.00 0.00 C ATOM 0 H LEU A 44 -5.239 2.495 -5.186 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.833 4.785 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.929 3.000 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.006 4.212 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.013 1.782 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.440 0.779 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.702 1.039 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.609 2.147 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.107 2.296 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.330 3.714 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.578 3.659 -3.360 1.00 0.00 H new ATOM 623 N ARG A 45 -4.966 6.407 -4.322 1.00 0.00 N ATOM 624 CA ARG A 45 -3.896 7.379 -4.321 1.00 0.00 C ATOM 625 C ARG A 45 -3.386 7.554 -2.901 1.00 0.00 C ATOM 626 O ARG A 45 -4.049 8.165 -2.058 1.00 0.00 O ATOM 627 CB ARG A 45 -4.381 8.710 -4.903 1.00 0.00 C ATOM 628 CG ARG A 45 -3.568 9.921 -4.473 1.00 0.00 C ATOM 629 CD ARG A 45 -4.475 11.061 -4.048 1.00 0.00 C ATOM 630 NE ARG A 45 -5.065 11.738 -5.201 1.00 0.00 N ATOM 631 CZ ARG A 45 -5.247 13.051 -5.275 1.00 0.00 C ATOM 632 NH1 ARG A 45 -4.998 13.823 -4.223 1.00 0.00 N ATOM 633 NH2 ARG A 45 -5.695 13.593 -6.398 1.00 0.00 N ATOM 0 H ARG A 45 -5.903 6.806 -4.368 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.078 7.025 -4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.363 8.644 -5.991 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.420 8.863 -4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.910 9.648 -3.648 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.930 10.246 -5.295 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.268 10.676 -3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.906 11.778 -3.456 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.354 11.168 -5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.665 13.408 -3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.140 14.831 -4.285 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.899 13.002 -7.204 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.836 14.602 -6.457 1.00 0.00 H new ATOM 647 N ILE A 46 -2.244 6.951 -2.621 1.00 0.00 N ATOM 648 CA ILE A 46 -1.689 6.988 -1.287 1.00 0.00 C ATOM 649 C ILE A 46 -0.575 8.016 -1.209 1.00 0.00 C ATOM 650 O ILE A 46 0.512 7.822 -1.755 1.00 0.00 O ATOM 651 CB ILE A 46 -1.148 5.612 -0.833 1.00 0.00 C ATOM 652 CG1 ILE A 46 -1.571 4.505 -1.805 1.00 0.00 C ATOM 653 CG2 ILE A 46 -1.646 5.299 0.570 1.00 0.00 C ATOM 654 CD1 ILE A 46 -0.929 3.164 -1.522 1.00 0.00 C ATOM 0 H ILE A 46 -1.687 6.432 -3.300 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.502 7.264 -0.615 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.059 5.656 -0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.655 4.394 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.319 4.811 -2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.262 4.329 0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.298 6.068 1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.736 5.276 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.277 2.433 -2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.155 3.258 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.201 2.835 -0.519 1.00 0.00 H new ATOM 666 N LYS A 47 -0.844 9.090 -0.494 1.00 0.00 N ATOM 667 CA LYS A 47 0.134 10.135 -0.289 1.00 0.00 C ATOM 668 C LYS A 47 0.729 9.988 1.104 1.00 0.00 C ATOM 669 O LYS A 47 0.089 10.330 2.103 1.00 0.00 O ATOM 670 CB LYS A 47 -0.520 11.509 -0.444 1.00 0.00 C ATOM 671 CG LYS A 47 0.133 12.390 -1.492 1.00 0.00 C ATOM 672 CD LYS A 47 -0.894 12.987 -2.437 1.00 0.00 C ATOM 673 CE LYS A 47 -0.261 13.405 -3.754 1.00 0.00 C ATOM 674 NZ LYS A 47 0.026 14.862 -3.799 1.00 0.00 N ATOM 0 H LYS A 47 -1.742 9.261 -0.042 1.00 0.00 H new ATOM 0 HA LYS A 47 0.925 10.047 -1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.570 11.373 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.492 12.023 0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.686 13.191 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.856 11.805 -2.061 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.683 12.259 -2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.364 13.851 -1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.665 12.849 -3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.927 13.142 -4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.457 15.103 -4.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.860 15.394 -3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.682 15.110 -3.031 1.00 0.00 H new ATOM 688 N LEU A 48 1.893 9.372 1.181 1.00 0.00 N ATOM 689 CA LEU A 48 2.500 9.067 2.460 1.00 0.00 C ATOM 690 C LEU A 48 3.574 10.081 2.810 1.00 0.00 C ATOM 691 O LEU A 48 4.474 10.355 2.020 1.00 0.00 O ATOM 692 CB LEU A 48 3.089 7.658 2.453 1.00 0.00 C ATOM 693 CG LEU A 48 2.849 6.858 3.729 1.00 0.00 C ATOM 694 CD1 LEU A 48 1.637 5.950 3.571 1.00 0.00 C ATOM 695 CD2 LEU A 48 4.085 6.047 4.088 1.00 0.00 C ATOM 0 H LEU A 48 2.437 9.073 0.371 1.00 0.00 H new ATOM 0 HA LEU A 48 1.720 9.118 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.668 7.108 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.163 7.729 2.282 1.00 0.00 H new ATOM 0 HG LEU A 48 2.648 7.556 4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.482 5.387 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.754 6.554 3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.806 5.257 2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.897 5.482 5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.316 5.358 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.928 6.719 4.245 1.00 0.00 H new ATOM 707 N ALA A 49 3.499 10.587 4.028 1.00 0.00 N ATOM 708 CA ALA A 49 4.490 11.517 4.534 1.00 0.00 C ATOM 709 C ALA A 49 5.767 10.761 4.898 1.00 0.00 C ATOM 710 O ALA A 49 5.717 9.562 5.177 1.00 0.00 O ATOM 711 CB ALA A 49 3.939 12.260 5.744 1.00 0.00 C ATOM 0 H ALA A 49 2.755 10.366 4.689 1.00 0.00 H new ATOM 0 HA ALA A 49 4.726 12.249 3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.690 12.956 6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.044 12.812 5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.687 11.544 6.527 1.00 0.00 H new ATOM 717 N PRO A 50 6.932 11.438 4.862 1.00 0.00 N ATOM 718 CA PRO A 50 8.236 10.815 5.149 1.00 0.00 C ATOM 719 C PRO A 50 8.272 10.076 6.489 1.00 0.00 C ATOM 720 O PRO A 50 9.031 9.123 6.659 1.00 0.00 O ATOM 721 CB PRO A 50 9.192 12.007 5.177 1.00 0.00 C ATOM 722 CG PRO A 50 8.555 13.017 4.291 1.00 0.00 C ATOM 723 CD PRO A 50 7.075 12.858 4.486 1.00 0.00 C ATOM 0 HA PRO A 50 8.486 10.054 4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.318 12.391 6.189 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.182 11.730 4.815 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.878 14.025 4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.832 12.853 3.250 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.699 13.520 5.266 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.522 13.091 3.576 1.00 0.00 H new ATOM 731 N ASP A 51 7.437 10.511 7.429 1.00 0.00 N ATOM 732 CA ASP A 51 7.364 9.878 8.747 1.00 0.00 C ATOM 733 C ASP A 51 6.577 8.570 8.690 1.00 0.00 C ATOM 734 O ASP A 51 6.517 7.835 9.669 1.00 0.00 O ATOM 735 CB ASP A 51 6.717 10.821 9.764 1.00 0.00 C ATOM 736 CG ASP A 51 7.123 10.506 11.191 1.00 0.00 C ATOM 737 OD1 ASP A 51 8.227 10.921 11.603 1.00 0.00 O ATOM 738 OD2 ASP A 51 6.338 9.849 11.912 1.00 0.00 O ATOM 0 H ASP A 51 6.801 11.299 7.305 1.00 0.00 H new ATOM 0 HA ASP A 51 8.384 9.657 9.061 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.995 11.849 9.529 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.633 10.756 9.676 1.00 0.00 H new ATOM 743 N GLY A 52 6.009 8.267 7.532 1.00 0.00 N ATOM 744 CA GLY A 52 5.274 7.028 7.367 1.00 0.00 C ATOM 745 C GLY A 52 3.828 7.147 7.796 1.00 0.00 C ATOM 746 O GLY A 52 3.278 6.233 8.409 1.00 0.00 O ATOM 0 H GLY A 52 6.044 8.858 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.315 6.722 6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.758 6.243 7.948 1.00 0.00 H new ATOM 750 N MET A 53 3.197 8.254 7.435 1.00 0.00 N ATOM 751 CA MET A 53 1.789 8.465 7.746 1.00 0.00 C ATOM 752 C MET A 53 1.020 8.840 6.482 1.00 0.00 C ATOM 753 O MET A 53 1.573 9.466 5.578 1.00 0.00 O ATOM 754 CB MET A 53 1.625 9.549 8.821 1.00 0.00 C ATOM 755 CG MET A 53 1.533 10.969 8.273 1.00 0.00 C ATOM 756 SD MET A 53 0.721 12.106 9.412 1.00 0.00 S ATOM 757 CE MET A 53 -0.676 12.639 8.423 1.00 0.00 C ATOM 0 H MET A 53 3.637 9.021 6.926 1.00 0.00 H new ATOM 0 HA MET A 53 1.379 7.535 8.140 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.726 9.337 9.400 1.00 0.00 H new ATOM 0 HB3 MET A 53 2.468 9.492 9.509 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.536 11.335 8.055 1.00 0.00 H new ATOM 0 HG3 MET A 53 0.987 10.955 7.330 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.276 13.348 8.993 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.316 13.118 7.513 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.287 11.775 8.161 1.00 0.00 H new ATOM 767 N LEU A 54 -0.251 8.467 6.428 1.00 0.00 N ATOM 768 CA LEU A 54 -1.089 8.780 5.278 1.00 0.00 C ATOM 769 C LEU A 54 -1.608 10.209 5.384 1.00 0.00 C ATOM 770 O LEU A 54 -2.485 10.501 6.198 1.00 0.00 O ATOM 771 CB LEU A 54 -2.265 7.799 5.177 1.00 0.00 C ATOM 772 CG LEU A 54 -2.107 6.500 5.971 1.00 0.00 C ATOM 773 CD1 LEU A 54 -3.326 6.263 6.849 1.00 0.00 C ATOM 774 CD2 LEU A 54 -1.892 5.322 5.031 1.00 0.00 C ATOM 0 H LEU A 54 -0.725 7.947 7.167 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.484 8.685 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.168 8.305 5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.417 7.547 4.127 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.231 6.593 6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.198 5.335 7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.439 7.093 7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.216 6.190 6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.782 4.407 5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.749 5.227 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.991 5.487 4.441 1.00 0.00 H new ATOM 786 N LEU A 55 -1.045 11.100 4.580 1.00 0.00 N ATOM 787 CA LEU A 55 -1.441 12.501 4.609 1.00 0.00 C ATOM 788 C LEU A 55 -2.611 12.744 3.666 1.00 0.00 C ATOM 789 O LEU A 55 -3.385 13.683 3.849 1.00 0.00 O ATOM 790 CB LEU A 55 -0.258 13.414 4.250 1.00 0.00 C ATOM 791 CG LEU A 55 0.162 13.412 2.777 1.00 0.00 C ATOM 792 CD1 LEU A 55 -0.284 14.691 2.086 1.00 0.00 C ATOM 793 CD2 LEU A 55 1.668 13.251 2.658 1.00 0.00 C ATOM 0 H LEU A 55 -0.316 10.879 3.902 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.758 12.743 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.512 14.435 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.600 13.119 4.854 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.323 12.569 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.025 14.667 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.369 14.775 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.172 15.549 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.952 13.251 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.164 14.077 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.970 12.309 3.115 1.00 0.00 H new ATOM 805 N ASP A 56 -2.740 11.881 2.667 1.00 0.00 N ATOM 806 CA ASP A 56 -3.822 11.984 1.699 1.00 0.00 C ATOM 807 C ASP A 56 -4.110 10.618 1.094 1.00 0.00 C ATOM 808 O ASP A 56 -3.301 10.082 0.339 1.00 0.00 O ATOM 809 CB ASP A 56 -3.460 12.983 0.593 1.00 0.00 C ATOM 810 CG ASP A 56 -4.623 13.294 -0.331 1.00 0.00 C ATOM 811 OD1 ASP A 56 -5.748 13.482 0.170 1.00 0.00 O ATOM 812 OD2 ASP A 56 -4.409 13.377 -1.563 1.00 0.00 O ATOM 0 H ASP A 56 -2.105 11.099 2.506 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.715 12.342 2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.108 13.909 1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.634 12.582 0.006 1.00 0.00 H new ATOM 817 N ILE A 57 -5.262 10.061 1.419 1.00 0.00 N ATOM 818 CA ILE A 57 -5.657 8.768 0.887 1.00 0.00 C ATOM 819 C ILE A 57 -6.975 8.911 0.136 1.00 0.00 C ATOM 820 O ILE A 57 -8.019 9.204 0.725 1.00 0.00 O ATOM 821 CB ILE A 57 -5.764 7.695 2.003 1.00 0.00 C ATOM 822 CG1 ILE A 57 -6.411 6.415 1.466 1.00 0.00 C ATOM 823 CG2 ILE A 57 -6.531 8.223 3.208 1.00 0.00 C ATOM 824 CD1 ILE A 57 -5.446 5.254 1.352 1.00 0.00 C ATOM 0 H ILE A 57 -5.943 10.484 2.050 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.885 8.427 0.197 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.753 7.456 2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.234 6.130 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.841 6.618 0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.588 7.447 3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.016 9.094 3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.538 8.506 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.971 4.381 0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.636 5.520 0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.035 5.024 2.335 1.00 0.00 H new ATOM 836 N LYS A 58 -6.895 8.854 -1.178 1.00 0.00 N ATOM 837 CA LYS A 58 -8.047 9.128 -2.012 1.00 0.00 C ATOM 838 C LYS A 58 -8.195 8.075 -3.099 1.00 0.00 C ATOM 839 O LYS A 58 -7.262 7.828 -3.861 1.00 0.00 O ATOM 840 CB LYS A 58 -7.915 10.516 -2.648 1.00 0.00 C ATOM 841 CG LYS A 58 -9.220 11.298 -2.703 1.00 0.00 C ATOM 842 CD LYS A 58 -9.936 11.108 -4.035 1.00 0.00 C ATOM 843 CE LYS A 58 -9.129 11.680 -5.190 1.00 0.00 C ATOM 844 NZ LYS A 58 -9.123 10.775 -6.369 1.00 0.00 N ATOM 0 H LYS A 58 -6.045 8.621 -1.691 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.937 9.101 -1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.181 11.093 -2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.527 10.405 -3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.872 10.976 -1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.016 12.357 -2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.114 10.046 -4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.912 11.592 -3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.543 12.647 -5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.104 11.856 -4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.167 10.743 -6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.405 9.819 -6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.792 11.129 -7.082 1.00 0.00 H new ATOM 858 N PRO A 59 -9.395 7.491 -3.236 1.00 0.00 N ATOM 859 CA PRO A 59 -9.685 6.531 -4.297 1.00 0.00 C ATOM 860 C PRO A 59 -9.653 7.205 -5.665 1.00 0.00 C ATOM 861 O PRO A 59 -10.291 8.239 -5.873 1.00 0.00 O ATOM 862 CB PRO A 59 -11.105 6.035 -3.977 1.00 0.00 C ATOM 863 CG PRO A 59 -11.407 6.536 -2.602 1.00 0.00 C ATOM 864 CD PRO A 59 -10.582 7.777 -2.423 1.00 0.00 C ATOM 0 HA PRO A 59 -8.954 5.724 -4.336 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.826 6.417 -4.700 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.158 4.947 -4.018 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.469 6.754 -2.491 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.155 5.788 -1.850 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.107 8.667 -2.771 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.326 7.946 -1.377 1.00 0.00 H new ATOM 872 N GLU A 60 -8.877 6.647 -6.579 1.00 0.00 N ATOM 873 CA GLU A 60 -8.730 7.221 -7.907 1.00 0.00 C ATOM 874 C GLU A 60 -9.775 6.643 -8.849 1.00 0.00 C ATOM 875 O GLU A 60 -10.682 7.347 -9.287 1.00 0.00 O ATOM 876 CB GLU A 60 -7.327 6.959 -8.451 1.00 0.00 C ATOM 877 CG GLU A 60 -6.260 7.845 -7.828 1.00 0.00 C ATOM 878 CD GLU A 60 -6.614 9.314 -7.903 1.00 0.00 C ATOM 879 OE1 GLU A 60 -6.849 9.818 -9.020 1.00 0.00 O ATOM 880 OE2 GLU A 60 -6.672 9.971 -6.846 1.00 0.00 O ATOM 0 H GLU A 60 -8.338 5.795 -6.426 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.879 8.299 -7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.068 5.915 -8.277 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.330 7.111 -9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.119 7.561 -6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.310 7.677 -8.335 1.00 0.00 H new ATOM 887 N GLY A 61 -9.668 5.352 -9.115 1.00 0.00 N ATOM 888 CA GLY A 61 -10.637 4.691 -9.961 1.00 0.00 C ATOM 889 C GLY A 61 -10.776 3.228 -9.614 1.00 0.00 C ATOM 890 O GLY A 61 -9.803 2.589 -9.208 1.00 0.00 O ATOM 0 H GLY A 61 -8.926 4.749 -8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.604 5.183 -9.859 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.337 4.791 -11.004 1.00 0.00 H new ATOM 894 N GLY A 62 -11.982 2.704 -9.751 1.00 0.00 N ATOM 895 CA GLY A 62 -12.226 1.317 -9.425 1.00 0.00 C ATOM 896 C GLY A 62 -13.654 1.084 -8.990 1.00 0.00 C ATOM 897 O GLY A 62 -14.588 1.619 -9.590 1.00 0.00 O ATOM 0 H GLY A 62 -12.799 3.216 -10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -12.005 0.696 -10.293 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.549 1.006 -8.629 1.00 0.00 H new ATOM 901 N ASP A 63 -13.825 0.308 -7.933 1.00 0.00 N ATOM 902 CA ASP A 63 -15.148 0.025 -7.394 1.00 0.00 C ATOM 903 C ASP A 63 -15.421 0.895 -6.172 1.00 0.00 C ATOM 904 O ASP A 63 -14.669 0.859 -5.203 1.00 0.00 O ATOM 905 CB ASP A 63 -15.266 -1.454 -7.018 1.00 0.00 C ATOM 906 CG ASP A 63 -16.674 -1.831 -6.610 1.00 0.00 C ATOM 907 OD1 ASP A 63 -17.006 -1.720 -5.411 1.00 0.00 O ATOM 908 OD2 ASP A 63 -17.457 -2.252 -7.490 1.00 0.00 O ATOM 0 H ASP A 63 -13.061 -0.140 -7.428 1.00 0.00 H new ATOM 0 HA ASP A 63 -15.888 0.253 -8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -14.959 -2.068 -7.865 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.581 -1.674 -6.199 1.00 0.00 H new ATOM 913 N PRO A 64 -16.462 1.740 -6.228 1.00 0.00 N ATOM 914 CA PRO A 64 -16.787 2.680 -5.149 1.00 0.00 C ATOM 915 C PRO A 64 -16.927 2.002 -3.786 1.00 0.00 C ATOM 916 O PRO A 64 -16.449 2.520 -2.774 1.00 0.00 O ATOM 917 CB PRO A 64 -18.127 3.301 -5.584 1.00 0.00 C ATOM 918 CG PRO A 64 -18.597 2.489 -6.745 1.00 0.00 C ATOM 919 CD PRO A 64 -17.367 1.901 -7.373 1.00 0.00 C ATOM 0 HA PRO A 64 -15.991 3.412 -5.013 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.852 3.275 -4.770 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.000 4.347 -5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -19.280 1.705 -6.420 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -19.140 3.109 -7.459 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -17.577 0.948 -7.859 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.946 2.560 -8.132 1.00 0.00 H new ATOM 927 N ALA A 65 -17.563 0.836 -3.761 1.00 0.00 N ATOM 928 CA ALA A 65 -17.745 0.095 -2.520 1.00 0.00 C ATOM 929 C ALA A 65 -16.423 -0.482 -2.032 1.00 0.00 C ATOM 930 O ALA A 65 -16.052 -0.309 -0.867 1.00 0.00 O ATOM 931 CB ALA A 65 -18.777 -1.008 -2.709 1.00 0.00 C ATOM 0 H ALA A 65 -17.960 0.385 -4.585 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.111 0.785 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.902 -1.553 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.730 -0.568 -3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.439 -1.694 -3.486 1.00 0.00 H new ATOM 937 N LEU A 66 -15.701 -1.139 -2.933 1.00 0.00 N ATOM 938 CA LEU A 66 -14.403 -1.714 -2.600 1.00 0.00 C ATOM 939 C LEU A 66 -13.443 -0.638 -2.116 1.00 0.00 C ATOM 940 O LEU A 66 -12.739 -0.822 -1.128 1.00 0.00 O ATOM 941 CB LEU A 66 -13.796 -2.431 -3.809 1.00 0.00 C ATOM 942 CG LEU A 66 -12.639 -3.375 -3.479 1.00 0.00 C ATOM 943 CD1 LEU A 66 -13.168 -4.736 -3.059 1.00 0.00 C ATOM 944 CD2 LEU A 66 -11.697 -3.505 -4.666 1.00 0.00 C ATOM 0 H LEU A 66 -15.992 -1.287 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 66 -14.560 -2.438 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.580 -3.000 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.445 -1.682 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.077 -2.954 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.332 -5.396 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.798 -4.625 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.755 -5.165 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.881 -4.181 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.243 -3.902 -5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.291 -2.525 -4.918 1.00 0.00 H new ATOM 956 N CYS A 67 -13.396 0.470 -2.843 1.00 0.00 N ATOM 957 CA CYS A 67 -12.494 1.560 -2.522 1.00 0.00 C ATOM 958 C CYS A 67 -12.792 2.136 -1.144 1.00 0.00 C ATOM 959 O CYS A 67 -11.877 2.409 -0.372 1.00 0.00 O ATOM 960 CB CYS A 67 -12.594 2.651 -3.586 1.00 0.00 C ATOM 961 SG CYS A 67 -11.390 2.473 -4.943 1.00 0.00 S ATOM 0 H CYS A 67 -13.978 0.635 -3.664 1.00 0.00 H new ATOM 0 HA CYS A 67 -11.477 1.167 -2.507 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.601 2.646 -4.004 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -12.451 3.622 -3.111 1.00 0.00 H new ATOM 966 N GLN A 68 -14.074 2.299 -0.825 1.00 0.00 N ATOM 967 CA GLN A 68 -14.471 2.828 0.476 1.00 0.00 C ATOM 968 C GLN A 68 -14.066 1.874 1.596 1.00 0.00 C ATOM 969 O GLN A 68 -13.574 2.304 2.644 1.00 0.00 O ATOM 970 CB GLN A 68 -15.978 3.079 0.520 1.00 0.00 C ATOM 971 CG GLN A 68 -16.352 4.401 1.169 1.00 0.00 C ATOM 972 CD GLN A 68 -17.777 4.420 1.688 1.00 0.00 C ATOM 973 OE1 GLN A 68 -18.599 5.220 1.244 1.00 0.00 O ATOM 974 NE2 GLN A 68 -18.080 3.546 2.632 1.00 0.00 N ATOM 0 H GLN A 68 -14.851 2.074 -1.446 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.954 3.776 0.624 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -16.372 3.057 -0.496 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -16.458 2.267 1.065 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.668 4.602 1.993 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -16.224 5.205 0.444 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.370 2.898 2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -19.024 3.519 3.018 1.00 0.00 H new ATOM 983 N ALA A 69 -14.231 0.581 1.352 1.00 0.00 N ATOM 984 CA ALA A 69 -13.841 -0.436 2.322 1.00 0.00 C ATOM 985 C ALA A 69 -12.323 -0.480 2.472 1.00 0.00 C ATOM 986 O ALA A 69 -11.801 -0.639 3.578 1.00 0.00 O ATOM 987 CB ALA A 69 -14.372 -1.799 1.906 1.00 0.00 C ATOM 0 H ALA A 69 -14.632 0.210 0.491 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.275 -0.174 3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.072 -2.546 2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.460 -1.763 1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.965 -2.066 0.930 1.00 0.00 H new ATOM 993 N ALA A 70 -11.623 -0.320 1.351 1.00 0.00 N ATOM 994 CA ALA A 70 -10.166 -0.322 1.339 1.00 0.00 C ATOM 995 C ALA A 70 -9.611 0.828 2.170 1.00 0.00 C ATOM 996 O ALA A 70 -8.610 0.669 2.867 1.00 0.00 O ATOM 997 CB ALA A 70 -9.648 -0.244 -0.091 1.00 0.00 C ATOM 0 H ALA A 70 -12.048 -0.186 0.433 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.824 -1.256 1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.558 -0.246 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.009 -1.103 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.006 0.674 -0.558 1.00 0.00 H new ATOM 1003 N LEU A 71 -10.293 1.971 2.127 1.00 0.00 N ATOM 1004 CA LEU A 71 -9.892 3.134 2.916 1.00 0.00 C ATOM 1005 C LEU A 71 -9.919 2.810 4.405 1.00 0.00 C ATOM 1006 O LEU A 71 -8.990 3.140 5.138 1.00 0.00 O ATOM 1007 CB LEU A 71 -10.812 4.332 2.642 1.00 0.00 C ATOM 1008 CG LEU A 71 -10.952 4.741 1.176 1.00 0.00 C ATOM 1009 CD1 LEU A 71 -12.056 5.775 1.016 1.00 0.00 C ATOM 1010 CD2 LEU A 71 -9.635 5.277 0.640 1.00 0.00 C ATOM 0 H LEU A 71 -11.125 2.117 1.555 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.875 3.394 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.804 4.101 3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.440 5.188 3.205 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.221 3.857 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.143 6.055 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.001 5.354 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.816 6.658 1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.757 5.562 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.333 6.148 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.869 4.505 0.719 1.00 0.00 H new ATOM 1022 N ALA A 72 -10.989 2.152 4.841 1.00 0.00 N ATOM 1023 CA ALA A 72 -11.141 1.774 6.241 1.00 0.00 C ATOM 1024 C ALA A 72 -10.077 0.763 6.654 1.00 0.00 C ATOM 1025 O ALA A 72 -9.465 0.889 7.715 1.00 0.00 O ATOM 1026 CB ALA A 72 -12.532 1.208 6.484 1.00 0.00 C ATOM 0 H ALA A 72 -11.765 1.869 4.243 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.012 2.668 6.851 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.633 0.929 7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.280 1.961 6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.681 0.328 5.859 1.00 0.00 H new ATOM 1032 N ALA A 73 -9.847 -0.222 5.794 1.00 0.00 N ATOM 1033 CA ALA A 73 -8.844 -1.249 6.047 1.00 0.00 C ATOM 1034 C ALA A 73 -7.444 -0.644 6.122 1.00 0.00 C ATOM 1035 O ALA A 73 -6.687 -0.924 7.051 1.00 0.00 O ATOM 1036 CB ALA A 73 -8.899 -2.318 4.967 1.00 0.00 C ATOM 0 H ALA A 73 -10.345 -0.331 4.910 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.066 -1.708 7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.144 -3.078 5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.887 -2.779 4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.705 -1.864 3.995 1.00 0.00 H new ATOM 1042 N ALA A 74 -7.107 0.183 5.138 1.00 0.00 N ATOM 1043 CA ALA A 74 -5.798 0.822 5.078 1.00 0.00 C ATOM 1044 C ALA A 74 -5.599 1.794 6.238 1.00 0.00 C ATOM 1045 O ALA A 74 -4.469 2.062 6.645 1.00 0.00 O ATOM 1046 CB ALA A 74 -5.620 1.538 3.748 1.00 0.00 C ATOM 0 H ALA A 74 -7.727 0.427 4.366 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.041 0.043 5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.638 2.010 3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.702 0.818 2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.392 2.299 3.638 1.00 0.00 H new ATOM 1052 N LYS A 75 -6.700 2.294 6.785 1.00 0.00 N ATOM 1053 CA LYS A 75 -6.647 3.205 7.920 1.00 0.00 C ATOM 1054 C LYS A 75 -6.130 2.482 9.159 1.00 0.00 C ATOM 1055 O LYS A 75 -5.386 3.048 9.959 1.00 0.00 O ATOM 1056 CB LYS A 75 -8.033 3.783 8.204 1.00 0.00 C ATOM 1057 CG LYS A 75 -8.168 5.252 7.848 1.00 0.00 C ATOM 1058 CD LYS A 75 -9.534 5.554 7.256 1.00 0.00 C ATOM 1059 CE LYS A 75 -10.631 5.479 8.308 1.00 0.00 C ATOM 1060 NZ LYS A 75 -10.870 6.798 8.952 1.00 0.00 N ATOM 0 H LYS A 75 -7.643 2.083 6.459 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.965 4.019 7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.776 3.213 7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.261 3.653 9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.013 5.860 8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.391 5.528 7.135 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.525 6.548 6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.748 4.846 6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.554 5.127 7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.356 4.748 9.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.624 6.706 9.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.996 7.122 9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.157 7.490 8.230 1.00 0.00 H new ATOM 1074 N LEU A 76 -6.539 1.228 9.319 1.00 0.00 N ATOM 1075 CA LEU A 76 -6.126 0.431 10.467 1.00 0.00 C ATOM 1076 C LEU A 76 -4.862 -0.359 10.148 1.00 0.00 C ATOM 1077 O LEU A 76 -4.190 -0.870 11.049 1.00 0.00 O ATOM 1078 CB LEU A 76 -7.242 -0.526 10.889 1.00 0.00 C ATOM 1079 CG LEU A 76 -8.191 0.003 11.970 1.00 0.00 C ATOM 1080 CD1 LEU A 76 -7.415 0.713 13.070 1.00 0.00 C ATOM 1081 CD2 LEU A 76 -9.231 0.932 11.362 1.00 0.00 C ATOM 0 H LEU A 76 -7.156 0.742 8.668 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.916 1.113 11.291 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.830 -0.782 10.008 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.788 -1.449 11.249 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.708 -0.847 12.414 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.109 1.080 13.826 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.714 0.016 13.529 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.865 1.552 12.644 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.895 1.297 12.145 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.731 1.776 10.887 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.813 0.389 10.617 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.574 -0.494 8.861 1.00 0.00 N ATOM 1094 CA ALA A 77 -3.425 -1.260 8.400 1.00 0.00 C ATOM 1095 C ALA A 77 -2.124 -0.668 8.922 1.00 0.00 C ATOM 1096 O ALA A 77 -1.936 0.549 8.919 1.00 0.00 O ATOM 1097 CB ALA A 77 -3.408 -1.312 6.881 1.00 0.00 C ATOM 0 H ALA A 77 -5.127 -0.078 8.111 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.514 -2.274 8.791 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.545 -1.887 6.546 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.321 -1.787 6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.346 -0.299 6.483 1.00 0.00 H new ATOM 1103 N LYS A 78 -1.220 -1.533 9.346 1.00 0.00 N ATOM 1104 CA LYS A 78 0.073 -1.095 9.840 1.00 0.00 C ATOM 1105 C LYS A 78 1.019 -0.842 8.672 1.00 0.00 C ATOM 1106 O LYS A 78 1.799 -1.713 8.286 1.00 0.00 O ATOM 1107 CB LYS A 78 0.662 -2.137 10.796 1.00 0.00 C ATOM 1108 CG LYS A 78 1.989 -1.733 11.431 1.00 0.00 C ATOM 1109 CD LYS A 78 1.992 -0.273 11.856 1.00 0.00 C ATOM 1110 CE LYS A 78 3.294 0.410 11.473 1.00 0.00 C ATOM 1111 NZ LYS A 78 3.115 1.867 11.240 1.00 0.00 N ATOM 0 H LYS A 78 -1.358 -2.544 9.358 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.058 -0.164 10.391 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.060 -2.334 11.588 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.803 -3.071 10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.184 -2.364 12.298 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.799 -1.907 10.722 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.155 0.246 11.388 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.847 -0.205 12.934 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.029 0.258 12.264 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.695 -0.054 10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.174 2.065 10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.185 2.164 11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.861 2.393 11.738 1.00 0.00 H new ATOM 1125 N ILE A 79 0.959 0.363 8.132 1.00 0.00 N ATOM 1126 CA ILE A 79 1.827 0.747 7.034 1.00 0.00 C ATOM 1127 C ILE A 79 3.186 1.182 7.575 1.00 0.00 C ATOM 1128 O ILE A 79 3.267 2.073 8.426 1.00 0.00 O ATOM 1129 CB ILE A 79 1.213 1.890 6.194 1.00 0.00 C ATOM 1130 CG1 ILE A 79 -0.232 1.556 5.803 1.00 0.00 C ATOM 1131 CG2 ILE A 79 2.058 2.161 4.952 1.00 0.00 C ATOM 1132 CD1 ILE A 79 -0.361 0.332 4.918 1.00 0.00 C ATOM 0 H ILE A 79 0.316 1.094 8.438 1.00 0.00 H new ATOM 0 HA ILE A 79 1.947 -0.121 6.386 1.00 0.00 H new ATOM 0 HB ILE A 79 1.203 2.794 6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.817 1.400 6.710 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.666 2.413 5.287 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.608 2.969 4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.066 2.448 5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.104 1.260 4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.412 0.161 4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.195 0.491 3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.041 -0.537 5.438 1.00 0.00 H new ATOM 1144 N PRO A 80 4.262 0.509 7.153 1.00 0.00 N ATOM 1145 CA PRO A 80 5.605 0.785 7.653 1.00 0.00 C ATOM 1146 C PRO A 80 6.251 1.972 6.946 1.00 0.00 C ATOM 1147 O PRO A 80 6.028 2.194 5.753 1.00 0.00 O ATOM 1148 CB PRO A 80 6.363 -0.504 7.342 1.00 0.00 C ATOM 1149 CG PRO A 80 5.686 -1.067 6.138 1.00 0.00 C ATOM 1150 CD PRO A 80 4.245 -0.627 6.210 1.00 0.00 C ATOM 0 HA PRO A 80 5.605 1.052 8.710 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.417 -0.305 7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.321 -1.199 8.180 1.00 0.00 H new ATOM 0 HG2 PRO A 80 6.157 -0.705 5.224 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.759 -2.154 6.125 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.870 -0.327 5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.600 -1.431 6.566 1.00 0.00 H new ATOM 1158 N LYS A 81 7.068 2.716 7.685 1.00 0.00 N ATOM 1159 CA LYS A 81 7.774 3.855 7.142 1.00 0.00 C ATOM 1160 C LYS A 81 8.713 3.415 6.022 1.00 0.00 C ATOM 1161 O LYS A 81 9.197 2.283 6.030 1.00 0.00 O ATOM 1162 CB LYS A 81 8.555 4.559 8.255 1.00 0.00 C ATOM 1163 CG LYS A 81 8.223 4.078 9.663 1.00 0.00 C ATOM 1164 CD LYS A 81 7.024 4.826 10.230 1.00 0.00 C ATOM 1165 CE LYS A 81 7.310 5.378 11.616 1.00 0.00 C ATOM 1166 NZ LYS A 81 6.378 6.478 11.973 1.00 0.00 N ATOM 0 H LYS A 81 7.254 2.541 8.673 1.00 0.00 H new ATOM 0 HA LYS A 81 7.051 4.555 6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.621 4.418 8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.361 5.630 8.196 1.00 0.00 H new ATOM 0 HG2 LYS A 81 8.013 3.009 9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.086 4.222 10.313 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.756 5.644 9.561 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.165 4.156 10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.226 4.577 12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.336 5.743 11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.766 7.016 12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.259 7.111 11.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.455 6.079 12.239 1.00 0.00 H new ATOM 1180 N PRO A 82 8.922 4.286 5.016 1.00 0.00 N ATOM 1181 CA PRO A 82 9.742 3.985 3.837 1.00 0.00 C ATOM 1182 C PRO A 82 11.047 3.257 4.170 1.00 0.00 C ATOM 1183 O PRO A 82 11.926 3.810 4.835 1.00 0.00 O ATOM 1184 CB PRO A 82 10.036 5.372 3.272 1.00 0.00 C ATOM 1185 CG PRO A 82 8.833 6.178 3.618 1.00 0.00 C ATOM 1186 CD PRO A 82 8.315 5.631 4.923 1.00 0.00 C ATOM 0 HA PRO A 82 9.229 3.312 3.150 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.938 5.797 3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.193 5.336 2.194 1.00 0.00 H new ATOM 0 HG2 PRO A 82 9.087 7.234 3.713 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.076 6.101 2.837 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.609 6.260 5.763 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.226 5.578 4.929 1.00 0.00 H new ATOM 1194 N PRO A 83 11.163 1.985 3.745 1.00 0.00 N ATOM 1195 CA PRO A 83 12.337 1.158 4.034 1.00 0.00 C ATOM 1196 C PRO A 83 13.552 1.570 3.209 1.00 0.00 C ATOM 1197 O PRO A 83 14.693 1.382 3.628 1.00 0.00 O ATOM 1198 CB PRO A 83 11.881 -0.253 3.653 1.00 0.00 C ATOM 1199 CG PRO A 83 10.813 -0.049 2.635 1.00 0.00 C ATOM 1200 CD PRO A 83 10.132 1.245 2.989 1.00 0.00 C ATOM 0 HA PRO A 83 12.656 1.249 5.072 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.706 -0.839 3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.502 -0.793 4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.236 -0.004 1.632 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.104 -0.877 2.645 1.00 0.00 H new ATOM 0 HD2 PRO A 83 9.819 1.790 2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 83 9.238 1.076 3.590 1.00 0.00 H new ATOM 1208 N SER A 84 13.294 2.147 2.045 1.00 0.00 N ATOM 1209 CA SER A 84 14.353 2.605 1.166 1.00 0.00 C ATOM 1210 C SER A 84 14.215 4.106 0.915 1.00 0.00 C ATOM 1211 O SER A 84 13.123 4.663 1.035 1.00 0.00 O ATOM 1212 CB SER A 84 14.307 1.831 -0.152 1.00 0.00 C ATOM 1213 OG SER A 84 13.347 0.786 -0.095 1.00 0.00 O ATOM 0 H SER A 84 12.352 2.309 1.688 1.00 0.00 H new ATOM 0 HA SER A 84 15.317 2.423 1.642 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.062 2.510 -0.969 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.291 1.415 -0.368 1.00 0.00 H new ATOM 0 HG SER A 84 13.334 0.306 -0.950 1.00 0.00 H new ATOM 1219 N GLN A 85 15.337 4.763 0.634 1.00 0.00 N ATOM 1220 CA GLN A 85 15.364 6.213 0.448 1.00 0.00 C ATOM 1221 C GLN A 85 14.529 6.648 -0.756 1.00 0.00 C ATOM 1222 O GLN A 85 13.892 7.696 -0.725 1.00 0.00 O ATOM 1223 CB GLN A 85 16.807 6.710 0.297 1.00 0.00 C ATOM 1224 CG GLN A 85 17.597 6.004 -0.795 1.00 0.00 C ATOM 1225 CD GLN A 85 18.301 4.762 -0.291 1.00 0.00 C ATOM 1226 OE1 GLN A 85 17.750 3.661 -0.335 1.00 0.00 O ATOM 1227 NE2 GLN A 85 19.515 4.930 0.199 1.00 0.00 N ATOM 0 H GLN A 85 16.246 4.312 0.529 1.00 0.00 H new ATOM 0 HA GLN A 85 14.923 6.662 1.338 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.791 7.779 0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 85 17.326 6.581 1.247 1.00 0.00 H new ATOM 0 HG2 GLN A 85 16.924 5.731 -1.608 1.00 0.00 H new ATOM 0 HG3 GLN A 85 18.334 6.693 -1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 85 19.934 5.860 0.216 1.00 0.00 H new ATOM 0 HE22 GLN A 85 20.034 4.130 0.560 1.00 0.00 H new ATOM 1236 N ALA A 86 14.514 5.832 -1.802 1.00 0.00 N ATOM 1237 CA ALA A 86 13.731 6.145 -2.992 1.00 0.00 C ATOM 1238 C ALA A 86 12.240 6.016 -2.707 1.00 0.00 C ATOM 1239 O ALA A 86 11.425 6.756 -3.250 1.00 0.00 O ATOM 1240 CB ALA A 86 14.134 5.239 -4.145 1.00 0.00 C ATOM 0 H ALA A 86 15.031 4.954 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 86 13.935 7.178 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.541 5.485 -5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.191 5.382 -4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.959 4.199 -3.869 1.00 0.00 H new ATOM 1246 N VAL A 87 11.895 5.117 -1.797 1.00 0.00 N ATOM 1247 CA VAL A 87 10.512 4.947 -1.382 1.00 0.00 C ATOM 1248 C VAL A 87 10.044 6.172 -0.605 1.00 0.00 C ATOM 1249 O VAL A 87 8.881 6.555 -0.672 1.00 0.00 O ATOM 1250 CB VAL A 87 10.336 3.682 -0.512 1.00 0.00 C ATOM 1251 CG1 VAL A 87 8.899 3.538 -0.035 1.00 0.00 C ATOM 1252 CG2 VAL A 87 10.766 2.444 -1.281 1.00 0.00 C ATOM 0 H VAL A 87 12.555 4.494 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 87 9.907 4.831 -2.281 1.00 0.00 H new ATOM 0 HB VAL A 87 10.973 3.788 0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.806 2.639 0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.624 4.409 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.236 3.462 -0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.636 1.562 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 87 10.157 2.344 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.815 2.537 -1.563 1.00 0.00 H new ATOM 1262 N TYR A 88 10.972 6.790 0.113 1.00 0.00 N ATOM 1263 CA TYR A 88 10.679 7.983 0.898 1.00 0.00 C ATOM 1264 C TYR A 88 10.163 9.115 0.004 1.00 0.00 C ATOM 1265 O TYR A 88 9.186 9.785 0.340 1.00 0.00 O ATOM 1266 CB TYR A 88 11.935 8.392 1.689 1.00 0.00 C ATOM 1267 CG TYR A 88 12.205 9.883 1.769 1.00 0.00 C ATOM 1268 CD1 TYR A 88 11.511 10.689 2.660 1.00 0.00 C ATOM 1269 CD2 TYR A 88 13.171 10.476 0.965 1.00 0.00 C ATOM 1270 CE1 TYR A 88 11.769 12.044 2.747 1.00 0.00 C ATOM 1271 CE2 TYR A 88 13.435 11.830 1.045 1.00 0.00 C ATOM 1272 CZ TYR A 88 12.731 12.608 1.937 1.00 0.00 C ATOM 1273 OH TYR A 88 12.993 13.957 2.024 1.00 0.00 O ATOM 0 H TYR A 88 11.943 6.482 0.168 1.00 0.00 H new ATOM 0 HA TYR A 88 9.883 7.765 1.610 1.00 0.00 H new ATOM 0 HB2 TYR A 88 11.846 8.002 2.703 1.00 0.00 H new ATOM 0 HB3 TYR A 88 12.801 7.908 1.236 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.757 10.250 3.296 1.00 0.00 H new ATOM 0 HD2 TYR A 88 13.725 9.868 0.265 1.00 0.00 H new ATOM 0 HE1 TYR A 88 11.220 12.658 3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 88 14.188 12.275 0.412 1.00 0.00 H new ATOM 0 HH TYR A 88 13.698 14.195 1.387 1.00 0.00 H new ATOM 1283 N GLU A 89 10.782 9.290 -1.157 1.00 0.00 N ATOM 1284 CA GLU A 89 10.327 10.302 -2.109 1.00 0.00 C ATOM 1285 C GLU A 89 9.118 9.814 -2.911 1.00 0.00 C ATOM 1286 O GLU A 89 8.232 10.601 -3.252 1.00 0.00 O ATOM 1287 CB GLU A 89 11.451 10.741 -3.063 1.00 0.00 C ATOM 1288 CG GLU A 89 12.495 9.679 -3.374 1.00 0.00 C ATOM 1289 CD GLU A 89 13.905 10.152 -3.083 1.00 0.00 C ATOM 1290 OE1 GLU A 89 14.075 11.066 -2.250 1.00 0.00 O ATOM 1291 OE2 GLU A 89 14.855 9.626 -3.693 1.00 0.00 O ATOM 0 H GLU A 89 11.593 8.752 -1.462 1.00 0.00 H new ATOM 0 HA GLU A 89 10.026 11.169 -1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.001 11.070 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.955 11.606 -2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.286 8.785 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.419 9.395 -4.424 1.00 0.00 H new ATOM 1298 N VAL A 90 9.130 8.541 -3.287 1.00 0.00 N ATOM 1299 CA VAL A 90 8.086 7.979 -4.141 1.00 0.00 C ATOM 1300 C VAL A 90 6.744 7.858 -3.409 1.00 0.00 C ATOM 1301 O VAL A 90 5.699 8.192 -3.971 1.00 0.00 O ATOM 1302 CB VAL A 90 8.511 6.596 -4.699 1.00 0.00 C ATOM 1303 CG1 VAL A 90 7.314 5.800 -5.198 1.00 0.00 C ATOM 1304 CG2 VAL A 90 9.531 6.767 -5.814 1.00 0.00 C ATOM 0 H VAL A 90 9.853 7.875 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 90 7.952 8.672 -4.971 1.00 0.00 H new ATOM 0 HB VAL A 90 8.965 6.035 -3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.652 4.837 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.616 5.639 -4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.816 6.353 -5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 90 9.820 5.788 -6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.094 7.356 -6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 90 10.411 7.280 -5.426 1.00 0.00 H new ATOM 1314 N PHE A 91 6.771 7.331 -2.185 1.00 0.00 N ATOM 1315 CA PHE A 91 5.545 7.095 -1.413 1.00 0.00 C ATOM 1316 C PHE A 91 4.814 8.395 -1.090 1.00 0.00 C ATOM 1317 O PHE A 91 3.635 8.378 -0.735 1.00 0.00 O ATOM 1318 CB PHE A 91 5.855 6.343 -0.117 1.00 0.00 C ATOM 1319 CG PHE A 91 4.874 5.244 0.198 1.00 0.00 C ATOM 1320 CD1 PHE A 91 3.686 5.125 -0.511 1.00 0.00 C ATOM 1321 CD2 PHE A 91 5.140 4.334 1.204 1.00 0.00 C ATOM 1322 CE1 PHE A 91 2.787 4.118 -0.219 1.00 0.00 C ATOM 1323 CE2 PHE A 91 4.244 3.325 1.501 1.00 0.00 C ATOM 1324 CZ PHE A 91 3.067 3.217 0.788 1.00 0.00 C ATOM 0 H PHE A 91 7.628 7.058 -1.704 1.00 0.00 H new ATOM 0 HA PHE A 91 4.891 6.485 -2.036 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.855 5.915 -0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.869 7.053 0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.462 5.828 -1.300 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.060 4.413 1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 91 1.866 4.036 -0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.464 2.621 2.290 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.366 2.428 1.018 1.00 0.00 H new ATOM 1334 N LYS A 92 5.491 9.522 -1.275 1.00 0.00 N ATOM 1335 CA LYS A 92 4.881 10.826 -1.064 1.00 0.00 C ATOM 1336 C LYS A 92 3.826 11.109 -2.135 1.00 0.00 C ATOM 1337 O LYS A 92 3.071 12.071 -2.036 1.00 0.00 O ATOM 1338 CB LYS A 92 5.956 11.914 -1.066 1.00 0.00 C ATOM 1339 CG LYS A 92 6.785 11.947 0.208 1.00 0.00 C ATOM 1340 CD LYS A 92 7.439 13.300 0.414 1.00 0.00 C ATOM 1341 CE LYS A 92 8.857 13.326 -0.135 1.00 0.00 C ATOM 1342 NZ LYS A 92 9.257 14.692 -0.555 1.00 0.00 N ATOM 0 H LYS A 92 6.466 9.557 -1.572 1.00 0.00 H new ATOM 0 HA LYS A 92 4.385 10.826 -0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.618 11.758 -1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 92 5.480 12.884 -1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.149 11.716 1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.552 11.174 0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.844 14.071 -0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.456 13.539 1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.548 12.962 0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.931 12.647 -0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.229 14.671 -0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.612 15.030 -1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.210 15.334 0.262 1.00 0.00 H new ATOM 1356 N ASN A 93 3.736 10.211 -3.108 1.00 0.00 N ATOM 1357 CA ASN A 93 2.728 10.277 -4.155 1.00 0.00 C ATOM 1358 C ASN A 93 2.734 8.969 -4.941 1.00 0.00 C ATOM 1359 O ASN A 93 3.226 8.911 -6.069 1.00 0.00 O ATOM 1360 CB ASN A 93 2.994 11.462 -5.091 1.00 0.00 C ATOM 1361 CG ASN A 93 1.954 11.588 -6.191 1.00 0.00 C ATOM 1362 OD1 ASN A 93 0.768 11.332 -5.981 1.00 0.00 O ATOM 1363 ND2 ASN A 93 2.395 11.988 -7.373 1.00 0.00 N ATOM 0 H ASN A 93 4.365 9.412 -3.192 1.00 0.00 H new ATOM 0 HA ASN A 93 1.749 10.423 -3.698 1.00 0.00 H new ATOM 0 HB2 ASN A 93 3.013 12.383 -4.508 1.00 0.00 H new ATOM 0 HB3 ASN A 93 3.980 11.349 -5.541 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.744 12.094 -8.151 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.386 12.190 -7.506 1.00 0.00 H new ATOM 1370 N ALA A 94 2.288 7.895 -4.301 1.00 0.00 N ATOM 1371 CA ALA A 94 2.351 6.573 -4.913 1.00 0.00 C ATOM 1372 C ALA A 94 0.991 5.879 -4.889 1.00 0.00 C ATOM 1373 O ALA A 94 0.703 5.085 -3.996 1.00 0.00 O ATOM 1374 CB ALA A 94 3.394 5.713 -4.212 1.00 0.00 C ATOM 0 H ALA A 94 1.882 7.912 -3.366 1.00 0.00 H new ATOM 0 HA ALA A 94 2.641 6.704 -5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.429 4.729 -4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.372 6.188 -4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.129 5.605 -3.160 1.00 0.00 H new ATOM 1380 N PRO A 95 0.137 6.168 -5.879 1.00 0.00 N ATOM 1381 CA PRO A 95 -1.197 5.572 -5.986 1.00 0.00 C ATOM 1382 C PRO A 95 -1.133 4.115 -6.450 1.00 0.00 C ATOM 1383 O PRO A 95 -0.832 3.829 -7.610 1.00 0.00 O ATOM 1384 CB PRO A 95 -1.900 6.454 -7.037 1.00 0.00 C ATOM 1385 CG PRO A 95 -0.991 7.626 -7.230 1.00 0.00 C ATOM 1386 CD PRO A 95 0.386 7.100 -6.978 1.00 0.00 C ATOM 0 HA PRO A 95 -1.718 5.544 -5.029 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.049 5.912 -7.971 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.884 6.771 -6.692 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.079 8.031 -8.238 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.237 8.433 -6.540 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.803 6.602 -7.853 1.00 0.00 H new ATOM 0 HD3 PRO A 95 1.083 7.890 -6.698 1.00 0.00 H new ATOM 1394 N LEU A 96 -1.366 3.199 -5.520 1.00 0.00 N ATOM 1395 CA LEU A 96 -1.280 1.771 -5.805 1.00 0.00 C ATOM 1396 C LEU A 96 -2.627 1.225 -6.280 1.00 0.00 C ATOM 1397 O LEU A 96 -3.684 1.708 -5.870 1.00 0.00 O ATOM 1398 CB LEU A 96 -0.829 1.010 -4.554 1.00 0.00 C ATOM 1399 CG LEU A 96 0.617 0.495 -4.571 1.00 0.00 C ATOM 1400 CD1 LEU A 96 1.597 1.627 -4.850 1.00 0.00 C ATOM 1401 CD2 LEU A 96 0.952 -0.183 -3.249 1.00 0.00 C ATOM 0 H LEU A 96 -1.617 3.420 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.548 1.629 -6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.952 1.663 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.496 0.160 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 96 0.708 -0.236 -5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.614 1.235 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.373 2.071 -5.820 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.506 2.387 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.980 -0.543 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.839 0.532 -2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.277 -1.024 -3.090 1.00 0.00 H new ATOM 1413 N ASP A 97 -2.584 0.189 -7.107 1.00 0.00 N ATOM 1414 CA ASP A 97 -3.800 -0.456 -7.591 1.00 0.00 C ATOM 1415 C ASP A 97 -4.165 -1.616 -6.678 1.00 0.00 C ATOM 1416 O ASP A 97 -3.567 -2.690 -6.756 1.00 0.00 O ATOM 1417 CB ASP A 97 -3.607 -0.960 -9.023 1.00 0.00 C ATOM 1418 CG ASP A 97 -4.797 -0.666 -9.916 1.00 0.00 C ATOM 1419 OD1 ASP A 97 -5.808 -0.136 -9.419 1.00 0.00 O ATOM 1420 OD2 ASP A 97 -4.715 -0.952 -11.134 1.00 0.00 O ATOM 0 H ASP A 97 -1.720 -0.224 -7.458 1.00 0.00 H new ATOM 0 HA ASP A 97 -4.609 0.275 -7.587 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -2.716 -0.498 -9.449 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -3.430 -2.035 -9.004 1.00 0.00 H new ATOM 1425 N PHE A 98 -5.075 -1.362 -5.750 1.00 0.00 N ATOM 1426 CA PHE A 98 -5.439 -2.350 -4.748 1.00 0.00 C ATOM 1427 C PHE A 98 -6.179 -3.526 -5.370 1.00 0.00 C ATOM 1428 O PHE A 98 -7.201 -3.356 -6.039 1.00 0.00 O ATOM 1429 CB PHE A 98 -6.295 -1.717 -3.644 1.00 0.00 C ATOM 1430 CG PHE A 98 -6.724 -2.689 -2.580 1.00 0.00 C ATOM 1431 CD1 PHE A 98 -5.785 -3.332 -1.789 1.00 0.00 C ATOM 1432 CD2 PHE A 98 -8.066 -2.965 -2.378 1.00 0.00 C ATOM 1433 CE1 PHE A 98 -6.177 -4.229 -0.815 1.00 0.00 C ATOM 1434 CE2 PHE A 98 -8.464 -3.862 -1.405 1.00 0.00 C ATOM 1435 CZ PHE A 98 -7.518 -4.495 -0.623 1.00 0.00 C ATOM 0 H PHE A 98 -5.576 -0.477 -5.671 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.514 -2.723 -4.307 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -5.732 -0.908 -3.179 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -7.181 -1.271 -4.095 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -4.734 -3.129 -1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -8.810 -2.474 -2.988 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.435 -4.722 -0.204 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -9.514 -4.068 -1.256 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.827 -5.197 0.137 1.00 0.00 H new ATOM 1445 N LYS A 99 -5.690 -4.717 -5.071 1.00 0.00 N ATOM 1446 CA LYS A 99 -6.321 -5.947 -5.506 1.00 0.00 C ATOM 1447 C LYS A 99 -6.510 -6.869 -4.307 1.00 0.00 C ATOM 1448 O LYS A 99 -5.533 -7.338 -3.724 1.00 0.00 O ATOM 1449 CB LYS A 99 -5.467 -6.640 -6.575 1.00 0.00 C ATOM 1450 CG LYS A 99 -6.279 -7.398 -7.616 1.00 0.00 C ATOM 1451 CD LYS A 99 -6.728 -8.762 -7.104 1.00 0.00 C ATOM 1452 CE LYS A 99 -5.542 -9.671 -6.802 1.00 0.00 C ATOM 1453 NZ LYS A 99 -5.386 -10.744 -7.821 1.00 0.00 N ATOM 0 H LYS A 99 -4.844 -4.857 -4.519 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.292 -5.714 -5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.856 -5.892 -7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.783 -7.334 -6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.153 -6.809 -7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.682 -7.528 -8.518 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.326 -8.633 -6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.370 -9.236 -7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.630 -9.075 -6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.673 -10.122 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.568 -11.338 -7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.245 -11.329 -7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.235 -10.315 -8.756 1.00 0.00 H new ATOM 1467 N PRO A 100 -7.767 -7.104 -3.903 1.00 0.00 N ATOM 1468 CA PRO A 100 -8.094 -7.946 -2.745 1.00 0.00 C ATOM 1469 C PRO A 100 -7.508 -9.349 -2.878 1.00 0.00 C ATOM 1470 O PRO A 100 -7.461 -9.907 -3.976 1.00 0.00 O ATOM 1471 CB PRO A 100 -9.624 -7.988 -2.757 1.00 0.00 C ATOM 1472 CG PRO A 100 -10.021 -6.746 -3.471 1.00 0.00 C ATOM 1473 CD PRO A 100 -8.974 -6.536 -4.522 1.00 0.00 C ATOM 0 HA PRO A 100 -7.681 -7.553 -1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -9.993 -8.876 -3.269 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.029 -8.012 -1.745 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -11.010 -6.849 -3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -10.067 -5.898 -2.788 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.228 -7.044 -5.452 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -8.847 -5.480 -4.760 1.00 0.00 H new