USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot -104:sc= -0.0304 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -2.36 K(o=-2.4,f=-7.2!) USER MOD Set 2.1: A 93 THR OG1 : rot -92:sc= -3.32! USER MOD Set 2.2: A 103 ASN : amide:sc= -4.37! C(o=-7.7!,f=-13!) USER MOD Single : A 10 ASN :FLIP amide:sc= -2.19! C(o=-7.1!,f=-2.2!) USER MOD Single : A 12 LYS NZ :NH3+ -165:sc= -1.67 (180deg=-2.06!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 17 HIS : no HD1:sc= -0.131 K(o=-0.13,f=-1.7) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0355) USER MOD Single : A 21 THR OG1 : rot -172:sc= -0.709 USER MOD Single : A 22 THR OG1 : rot 54:sc= 0.185 USER MOD Single : A 25 HIS : no HE2:sc= -1.62 K(o=-1.6,f=-5.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc=-0.00467 K(o=-0.0047,f=-0.96) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 152:sc= -2.25! (180deg=-3.61!) USER MOD Single : A 37 THR OG1 : rot 110:sc= -1.67! USER MOD Single : A 48 SER OG : rot 55:sc= -1.37! USER MOD Single : A 56 CYS SG : rot 34:sc= -2.72! USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= -0.0324 (180deg=-0.227) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.0948 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.15 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -0.0312 (180deg=-0.215) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 86 HIS : no HE2:sc= -7.03! C(o=-7!,f=-12!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -161:sc= -0.0861 (180deg=-0.522) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0484 USER MOD Single : A 111 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.48) USER MOD Single : A 113 LYS NZ :NH3+ -165:sc= -0.0729 (180deg=-0.346) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 0.059 -8.446 11.942 1.00 0.00 N ATOM 180 CA ASN A 10 0.215 -7.173 11.264 1.00 0.00 C ATOM 181 C ASN A 10 1.651 -6.672 11.314 1.00 0.00 C ATOM 182 O ASN A 10 2.469 -6.998 10.454 1.00 0.00 O ATOM 183 CB ASN A 10 -0.715 -6.129 11.884 1.00 0.00 C ATOM 184 CG ASN A 10 -0.862 -6.261 13.385 1.00 0.00 C ATOM 185 OD1 ASN A 10 -0.999 -5.125 14.057 1.00 0.00 O flip ATOM 186 ND2 ASN A 10 -0.851 -7.360 13.938 1.00 0.00 N flip ATOM 0 HA ASN A 10 -0.049 -7.328 10.218 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.336 -5.134 11.651 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.699 -6.212 11.423 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.743 -8.209 13.383 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.950 -7.422 14.951 1.00 0.00 H new ATOM 193 N ASP A 11 1.937 -5.872 12.331 1.00 0.00 N ATOM 194 CA ASP A 11 3.250 -5.289 12.524 1.00 0.00 C ATOM 195 C ASP A 11 4.361 -6.322 12.387 1.00 0.00 C ATOM 196 O ASP A 11 4.668 -7.057 13.325 1.00 0.00 O ATOM 197 CB ASP A 11 3.317 -4.618 13.893 1.00 0.00 C ATOM 198 CG ASP A 11 2.715 -5.476 14.991 1.00 0.00 C ATOM 199 OD1 ASP A 11 3.438 -6.333 15.540 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.519 -5.290 15.299 1.00 0.00 O ATOM 0 H ASP A 11 1.259 -5.610 13.047 1.00 0.00 H new ATOM 0 HA ASP A 11 3.404 -4.546 11.742 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.357 -4.399 14.136 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.791 -3.664 13.853 1.00 0.00 H new ATOM 205 N LYS A 12 4.949 -6.372 11.200 1.00 0.00 N ATOM 206 CA LYS A 12 6.044 -7.288 10.917 1.00 0.00 C ATOM 207 C LYS A 12 7.370 -6.531 10.942 1.00 0.00 C ATOM 208 O LYS A 12 7.746 -5.874 9.972 1.00 0.00 O ATOM 209 CB LYS A 12 5.835 -7.962 9.561 1.00 0.00 C ATOM 210 CG LYS A 12 7.077 -8.656 9.036 1.00 0.00 C ATOM 211 CD LYS A 12 6.804 -9.391 7.735 1.00 0.00 C ATOM 212 CE LYS A 12 8.085 -9.949 7.137 1.00 0.00 C ATOM 213 NZ LYS A 12 8.673 -11.022 7.987 1.00 0.00 N ATOM 0 H LYS A 12 4.683 -5.783 10.411 1.00 0.00 H new ATOM 0 HA LYS A 12 6.068 -8.063 11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.029 -8.691 9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.513 -7.213 8.837 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.866 -7.920 8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.442 -9.361 9.782 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.100 -10.203 7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.333 -8.713 7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.879 -10.345 6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.810 -9.144 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.655 -11.199 7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.658 -10.723 8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.117 -11.894 7.879 1.00 0.00 H new ATOM 227 N TRP A 13 8.065 -6.627 12.068 1.00 0.00 N ATOM 228 CA TRP A 13 9.333 -5.944 12.264 1.00 0.00 C ATOM 229 C TRP A 13 10.499 -6.788 11.762 1.00 0.00 C ATOM 230 O TRP A 13 10.899 -7.754 12.412 1.00 0.00 O ATOM 231 CB TRP A 13 9.484 -5.614 13.753 1.00 0.00 C ATOM 232 CG TRP A 13 8.182 -5.186 14.379 1.00 0.00 C ATOM 233 CD1 TRP A 13 7.131 -5.993 14.710 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.786 -3.852 14.736 1.00 0.00 C ATOM 235 NE1 TRP A 13 6.101 -5.247 15.224 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.477 -3.932 15.256 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.404 -2.602 14.664 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.775 -2.808 15.694 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.710 -1.489 15.104 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.407 -1.598 15.610 1.00 0.00 C ATOM 0 H TRP A 13 7.764 -7.181 12.870 1.00 0.00 H new ATOM 0 HA TRP A 13 9.343 -5.021 11.684 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.868 -6.488 14.279 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.221 -4.820 13.874 1.00 0.00 H new ATOM 0 HD1 TRP A 13 7.113 -7.066 14.585 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.200 -5.613 15.532 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.406 -2.506 14.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.771 -2.891 16.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.181 -0.518 15.057 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.892 -0.708 15.940 1.00 0.00 H new ATOM 251 N VAL A 14 11.045 -6.419 10.597 1.00 0.00 N ATOM 252 CA VAL A 14 12.160 -7.170 10.015 1.00 0.00 C ATOM 253 C VAL A 14 13.122 -6.268 9.256 1.00 0.00 C ATOM 254 O VAL A 14 13.019 -5.045 9.310 1.00 0.00 O ATOM 255 CB VAL A 14 11.661 -8.272 9.058 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.831 -9.303 9.806 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.867 -7.665 7.912 1.00 0.00 C ATOM 0 H VAL A 14 10.738 -5.617 10.047 1.00 0.00 H new ATOM 0 HA VAL A 14 12.686 -7.625 10.854 1.00 0.00 H new ATOM 0 HB VAL A 14 12.530 -8.780 8.639 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.490 -10.070 9.110 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.439 -9.764 10.585 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.968 -8.816 10.260 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.523 -8.458 7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.007 -7.127 8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.501 -6.975 7.356 1.00 0.00 H new ATOM 267 N ASP A 15 14.059 -6.900 8.556 1.00 0.00 N ATOM 268 CA ASP A 15 15.066 -6.194 7.772 1.00 0.00 C ATOM 269 C ASP A 15 14.776 -6.330 6.277 1.00 0.00 C ATOM 270 O ASP A 15 13.763 -6.912 5.891 1.00 0.00 O ATOM 271 CB ASP A 15 16.444 -6.762 8.098 1.00 0.00 C ATOM 272 CG ASP A 15 17.100 -6.064 9.273 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.712 -6.351 10.425 1.00 0.00 O ATOM 274 OD2 ASP A 15 18.002 -5.231 9.041 1.00 0.00 O ATOM 0 H ASP A 15 14.141 -7.916 8.516 1.00 0.00 H new ATOM 0 HA ASP A 15 15.040 -5.134 8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.352 -7.826 8.318 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.086 -6.672 7.222 1.00 0.00 H new ATOM 279 N THR A 16 15.668 -5.798 5.438 1.00 0.00 N ATOM 280 CA THR A 16 15.479 -5.873 3.989 1.00 0.00 C ATOM 281 C THR A 16 16.666 -5.292 3.222 1.00 0.00 C ATOM 282 O THR A 16 17.663 -4.876 3.812 1.00 0.00 O ATOM 283 CB THR A 16 14.201 -5.125 3.562 1.00 0.00 C ATOM 284 OG1 THR A 16 13.719 -5.645 2.318 1.00 0.00 O ATOM 285 CG2 THR A 16 14.458 -3.632 3.422 1.00 0.00 C ATOM 0 H THR A 16 16.518 -5.317 5.733 1.00 0.00 H new ATOM 0 HA THR A 16 15.390 -6.932 3.745 1.00 0.00 H new ATOM 0 HB THR A 16 13.450 -5.276 4.338 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.906 -5.165 2.056 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.538 -3.131 3.120 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.793 -3.229 4.378 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.227 -3.464 2.668 1.00 0.00 H new ATOM 293 N HIS A 17 16.538 -5.270 1.895 1.00 0.00 N ATOM 294 CA HIS A 17 17.575 -4.729 1.021 1.00 0.00 C ATOM 295 C HIS A 17 17.048 -3.492 0.297 1.00 0.00 C ATOM 296 O HIS A 17 15.993 -2.971 0.649 1.00 0.00 O ATOM 297 CB HIS A 17 18.026 -5.782 0.007 1.00 0.00 C ATOM 298 CG HIS A 17 18.699 -6.965 0.631 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.020 -8.101 1.018 1.00 0.00 N ATOM 300 CD2 HIS A 17 20.000 -7.186 0.936 1.00 0.00 C ATOM 301 CE1 HIS A 17 18.873 -8.968 1.534 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.080 -8.437 1.494 1.00 0.00 N ATOM 0 H HIS A 17 15.719 -5.624 1.401 1.00 0.00 H new ATOM 0 HA HIS A 17 18.435 -4.448 1.629 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.159 -6.124 -0.559 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.709 -5.319 -0.705 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.821 -6.505 0.771 1.00 0.00 H new ATOM 0 HE1 HIS A 17 18.625 -9.945 1.922 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.935 -8.884 1.825 1.00 0.00 H new ATOM 311 N VAL A 18 17.773 -3.030 -0.716 1.00 0.00 N ATOM 312 CA VAL A 18 17.355 -1.846 -1.464 1.00 0.00 C ATOM 313 C VAL A 18 16.360 -2.192 -2.568 1.00 0.00 C ATOM 314 O VAL A 18 16.595 -3.087 -3.380 1.00 0.00 O ATOM 315 CB VAL A 18 18.557 -1.112 -2.087 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.107 0.186 -2.745 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.622 -0.843 -1.034 1.00 0.00 C ATOM 0 H VAL A 18 18.645 -3.451 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 18 16.869 -1.190 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 18 18.992 -1.751 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 18 18.969 0.691 -3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.383 -0.035 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.647 0.832 -1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.464 -0.324 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.202 -0.224 -0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.964 -1.788 -0.613 1.00 0.00 H new ATOM 327 N GLY A 19 15.246 -1.467 -2.582 1.00 0.00 N ATOM 328 CA GLY A 19 14.215 -1.677 -3.583 1.00 0.00 C ATOM 329 C GLY A 19 13.607 -3.062 -3.541 1.00 0.00 C ATOM 330 O GLY A 19 13.035 -3.515 -4.531 1.00 0.00 O ATOM 0 H GLY A 19 15.037 -0.729 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.426 -0.938 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.639 -1.505 -4.572 1.00 0.00 H new ATOM 334 N LYS A 20 13.740 -3.747 -2.407 1.00 0.00 N ATOM 335 CA LYS A 20 13.172 -5.079 -2.259 1.00 0.00 C ATOM 336 C LYS A 20 11.665 -5.029 -2.475 1.00 0.00 C ATOM 337 O LYS A 20 10.895 -4.931 -1.519 1.00 0.00 O ATOM 338 CB LYS A 20 13.481 -5.636 -0.871 1.00 0.00 C ATOM 339 CG LYS A 20 13.629 -7.141 -0.843 1.00 0.00 C ATOM 340 CD LYS A 20 15.090 -7.525 -0.896 1.00 0.00 C ATOM 341 CE LYS A 20 15.296 -9.004 -0.607 1.00 0.00 C ATOM 342 NZ LYS A 20 14.581 -9.867 -1.588 1.00 0.00 N ATOM 0 H LYS A 20 14.233 -3.402 -1.584 1.00 0.00 H new ATOM 0 HA LYS A 20 13.618 -5.735 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.401 -5.182 -0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.685 -5.345 -0.186 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.173 -7.541 0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.099 -7.581 -1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.493 -7.287 -1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.648 -6.932 -0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.361 -9.233 -0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.944 -9.230 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.828 -10.863 -1.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.555 -9.741 -1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.861 -9.600 -2.554 1.00 0.00 H new ATOM 356 N THR A 21 11.251 -5.087 -3.737 1.00 0.00 N ATOM 357 CA THR A 21 9.837 -5.028 -4.080 1.00 0.00 C ATOM 358 C THR A 21 9.047 -6.111 -3.361 1.00 0.00 C ATOM 359 O THR A 21 8.953 -7.245 -3.832 1.00 0.00 O ATOM 360 CB THR A 21 9.612 -5.167 -5.597 1.00 0.00 C ATOM 361 OG1 THR A 21 10.592 -4.405 -6.312 1.00 0.00 O ATOM 362 CG2 THR A 21 8.217 -4.690 -5.977 1.00 0.00 C ATOM 0 H THR A 21 11.876 -5.175 -4.538 1.00 0.00 H new ATOM 0 HA THR A 21 9.482 -4.049 -3.758 1.00 0.00 H new ATOM 0 HB THR A 21 9.709 -6.220 -5.863 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.367 -4.396 -7.266 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.077 -4.796 -7.053 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.472 -5.289 -5.453 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.102 -3.643 -5.697 1.00 0.00 H new ATOM 370 N THR A 22 8.487 -5.754 -2.213 1.00 0.00 N ATOM 371 CA THR A 22 7.700 -6.689 -1.426 1.00 0.00 C ATOM 372 C THR A 22 6.222 -6.554 -1.752 1.00 0.00 C ATOM 373 O THR A 22 5.557 -5.618 -1.305 1.00 0.00 O ATOM 374 CB THR A 22 7.922 -6.478 0.087 1.00 0.00 C ATOM 375 OG1 THR A 22 9.280 -6.778 0.428 1.00 0.00 O ATOM 376 CG2 THR A 22 6.985 -7.352 0.912 1.00 0.00 C ATOM 0 H THR A 22 8.564 -4.822 -1.807 1.00 0.00 H new ATOM 0 HA THR A 22 8.033 -7.694 -1.685 1.00 0.00 H new ATOM 0 HB THR A 22 7.707 -5.434 0.315 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.883 -6.258 -0.143 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.167 -7.180 1.973 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.951 -7.101 0.675 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.166 -8.401 0.679 1.00 0.00 H new ATOM 384 N GLU A 23 5.728 -7.488 -2.556 1.00 0.00 N ATOM 385 CA GLU A 23 4.339 -7.508 -2.960 1.00 0.00 C ATOM 386 C GLU A 23 3.481 -8.158 -1.889 1.00 0.00 C ATOM 387 O GLU A 23 3.822 -9.217 -1.365 1.00 0.00 O ATOM 388 CB GLU A 23 4.203 -8.273 -4.269 1.00 0.00 C ATOM 389 CG GLU A 23 2.820 -8.178 -4.875 1.00 0.00 C ATOM 390 CD GLU A 23 2.771 -8.697 -6.300 1.00 0.00 C ATOM 391 OE1 GLU A 23 2.885 -9.926 -6.488 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.624 -7.873 -7.226 1.00 0.00 O ATOM 0 H GLU A 23 6.284 -8.250 -2.943 1.00 0.00 H new ATOM 0 HA GLU A 23 3.997 -6.482 -3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.932 -7.891 -4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.446 -9.322 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.119 -8.744 -4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.491 -7.139 -4.859 1.00 0.00 H new ATOM 399 N ILE A 24 2.367 -7.518 -1.567 1.00 0.00 N ATOM 400 CA ILE A 24 1.472 -8.037 -0.551 1.00 0.00 C ATOM 401 C ILE A 24 0.016 -7.965 -0.979 1.00 0.00 C ATOM 402 O ILE A 24 -0.602 -6.901 -0.942 1.00 0.00 O ATOM 403 CB ILE A 24 1.628 -7.265 0.764 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.099 -7.218 1.176 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.775 -7.899 1.854 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.351 -6.461 2.461 1.00 0.00 C ATOM 0 H ILE A 24 2.064 -6.642 -1.994 1.00 0.00 H new ATOM 0 HA ILE A 24 1.747 -9.082 -0.408 1.00 0.00 H new ATOM 0 HB ILE A 24 1.282 -6.242 0.617 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.468 -8.238 1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.676 -6.757 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.896 -7.340 2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.273 -7.880 1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.090 -8.931 2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.417 -6.472 2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.015 -5.430 2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.803 -6.934 3.276 1.00 0.00 H new ATOM 418 N HIS A 25 -0.521 -9.102 -1.396 1.00 0.00 N ATOM 419 CA HIS A 25 -1.915 -9.186 -1.791 1.00 0.00 C ATOM 420 C HIS A 25 -2.769 -9.409 -0.552 1.00 0.00 C ATOM 421 O HIS A 25 -2.763 -10.494 0.031 1.00 0.00 O ATOM 422 CB HIS A 25 -2.132 -10.327 -2.778 1.00 0.00 C ATOM 423 CG HIS A 25 -1.050 -10.459 -3.803 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.261 -11.582 -3.924 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.633 -9.603 -4.766 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.594 -11.413 -4.916 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.387 -10.220 -5.445 1.00 0.00 N ATOM 0 H HIS A 25 -0.009 -9.981 -1.469 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.201 -8.254 -2.280 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.210 -11.263 -2.224 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -3.084 -10.177 -3.287 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.327 -12.414 -3.338 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.030 -8.618 -4.963 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.336 -12.128 -5.240 1.00 0.00 H new ATOM 436 N LEU A 26 -3.499 -8.383 -0.155 1.00 0.00 N ATOM 437 CA LEU A 26 -4.341 -8.461 1.027 1.00 0.00 C ATOM 438 C LEU A 26 -5.788 -8.687 0.628 1.00 0.00 C ATOM 439 O LEU A 26 -6.246 -8.172 -0.387 1.00 0.00 O ATOM 440 CB LEU A 26 -4.230 -7.175 1.843 1.00 0.00 C ATOM 441 CG LEU A 26 -2.806 -6.764 2.233 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.768 -5.293 2.622 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.291 -7.627 3.376 1.00 0.00 C ATOM 0 H LEU A 26 -3.527 -7.483 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.003 -9.300 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.681 -6.363 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.819 -7.290 2.753 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.157 -6.915 1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.750 -5.015 2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.095 -4.685 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.432 -5.124 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.279 -7.319 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.941 -7.509 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.284 -8.672 3.068 1.00 0.00 H new ATOM 455 N LYS A 27 -6.505 -9.449 1.431 1.00 0.00 N ATOM 456 CA LYS A 27 -7.901 -9.734 1.143 1.00 0.00 C ATOM 457 C LYS A 27 -8.799 -8.714 1.822 1.00 0.00 C ATOM 458 O LYS A 27 -8.371 -7.997 2.727 1.00 0.00 O ATOM 459 CB LYS A 27 -8.271 -11.146 1.587 1.00 0.00 C ATOM 460 CG LYS A 27 -7.271 -12.200 1.143 1.00 0.00 C ATOM 461 CD LYS A 27 -7.770 -13.605 1.440 1.00 0.00 C ATOM 462 CE LYS A 27 -6.770 -14.658 0.994 1.00 0.00 C ATOM 463 NZ LYS A 27 -7.253 -16.038 1.277 1.00 0.00 N ATOM 0 H LYS A 27 -6.149 -9.881 2.284 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.047 -9.667 0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.352 -11.168 2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.254 -11.398 1.189 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.084 -12.098 0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.320 -12.036 1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.955 -13.708 2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.722 -13.768 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.582 -14.551 -0.074 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.820 -14.495 1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.542 -16.727 0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.408 -16.149 2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.147 -16.203 0.772 1.00 0.00 H new ATOM 477 N GLY A 28 -10.046 -8.659 1.383 1.00 0.00 N ATOM 478 CA GLY A 28 -10.986 -7.714 1.948 1.00 0.00 C ATOM 479 C GLY A 28 -12.271 -7.634 1.149 1.00 0.00 C ATOM 480 O GLY A 28 -12.783 -8.651 0.681 1.00 0.00 O ATOM 0 H GLY A 28 -10.425 -9.252 0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.216 -8.003 2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.525 -6.727 1.990 1.00 0.00 H new ATOM 484 N ASN A 29 -12.787 -6.420 0.990 1.00 0.00 N ATOM 485 CA ASN A 29 -14.017 -6.198 0.241 1.00 0.00 C ATOM 486 C ASN A 29 -14.309 -4.702 0.126 1.00 0.00 C ATOM 487 O ASN A 29 -14.997 -4.133 0.971 1.00 0.00 O ATOM 488 CB ASN A 29 -15.191 -6.910 0.916 1.00 0.00 C ATOM 489 CG ASN A 29 -16.437 -6.920 0.052 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.354 -6.928 -1.177 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.601 -6.919 0.690 1.00 0.00 N ATOM 0 H ASN A 29 -12.370 -5.571 1.372 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.887 -6.609 -0.760 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.905 -7.936 1.148 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.413 -6.419 1.864 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.473 -6.925 0.161 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.624 -6.912 1.710 1.00 0.00 H new ATOM 547 N TYR A 34 -14.166 0.109 4.509 1.00 0.00 N ATOM 548 CA TYR A 34 -12.766 0.276 4.884 1.00 0.00 C ATOM 549 C TYR A 34 -11.846 0.085 3.682 1.00 0.00 C ATOM 550 O TYR A 34 -12.300 -0.202 2.573 1.00 0.00 O ATOM 551 CB TYR A 34 -12.385 -0.701 5.998 1.00 0.00 C ATOM 552 CG TYR A 34 -13.119 -0.465 7.299 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.385 -0.999 7.506 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.549 0.290 8.323 1.00 0.00 C ATOM 555 CE1 TYR A 34 -15.063 -0.790 8.692 1.00 0.00 C ATOM 556 CE2 TYR A 34 -13.223 0.502 9.510 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.478 -0.040 9.690 1.00 0.00 C ATOM 558 OH TYR A 34 -15.152 0.170 10.871 1.00 0.00 O ATOM 0 HA TYR A 34 -12.641 1.295 5.251 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.584 -1.718 5.660 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.313 -0.629 6.179 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.847 -1.587 6.727 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.566 0.715 8.186 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.047 -1.212 8.836 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.769 1.090 10.294 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.601 0.717 11.469 1.00 0.00 H new ATOM 568 N MET A 35 -10.550 0.247 3.918 1.00 0.00 N ATOM 569 CA MET A 35 -9.546 0.116 2.888 1.00 0.00 C ATOM 570 C MET A 35 -8.233 -0.345 3.496 1.00 0.00 C ATOM 571 O MET A 35 -7.945 -0.062 4.655 1.00 0.00 O ATOM 572 CB MET A 35 -9.329 1.466 2.208 1.00 0.00 C ATOM 573 CG MET A 35 -7.913 1.663 1.702 1.00 0.00 C ATOM 574 SD MET A 35 -7.624 3.315 1.037 1.00 0.00 S ATOM 575 CE MET A 35 -8.765 3.333 -0.342 1.00 0.00 C ATOM 0 H MET A 35 -10.171 0.474 4.837 1.00 0.00 H new ATOM 0 HA MET A 35 -9.887 -0.618 2.157 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.022 1.559 1.372 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.570 2.262 2.912 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.213 1.478 2.517 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.704 0.924 0.928 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.081 4.357 -0.539 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.273 2.928 -1.227 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.637 2.724 -0.101 1.00 0.00 H new ATOM 585 N TRP A 36 -7.438 -1.036 2.704 1.00 0.00 N ATOM 586 CA TRP A 36 -6.143 -1.506 3.158 1.00 0.00 C ATOM 587 C TRP A 36 -5.037 -0.742 2.446 1.00 0.00 C ATOM 588 O TRP A 36 -4.565 -1.157 1.387 1.00 0.00 O ATOM 589 CB TRP A 36 -5.993 -2.997 2.902 1.00 0.00 C ATOM 590 CG TRP A 36 -6.168 -3.835 4.128 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.071 -4.843 4.313 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.423 -3.735 5.341 1.00 0.00 C ATOM 593 NE1 TRP A 36 -6.933 -5.373 5.572 1.00 0.00 N ATOM 594 CE2 TRP A 36 -5.926 -4.710 6.223 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.376 -2.914 5.768 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.418 -4.884 7.506 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.873 -3.088 7.039 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.393 -4.066 7.897 1.00 0.00 C ATOM 0 H TRP A 36 -7.666 -1.285 1.741 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.067 -1.331 4.231 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.724 -3.304 2.154 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.006 -3.187 2.480 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.788 -5.174 3.577 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.489 -6.135 5.959 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.969 -2.157 5.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.818 -5.637 8.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.064 -2.459 7.380 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.976 -4.177 8.887 1.00 0.00 H new ATOM 609 N THR A 37 -4.634 0.380 3.028 1.00 0.00 N ATOM 610 CA THR A 37 -3.595 1.208 2.431 1.00 0.00 C ATOM 611 C THR A 37 -2.600 1.688 3.493 1.00 0.00 C ATOM 612 O THR A 37 -2.619 1.205 4.623 1.00 0.00 O ATOM 613 CB THR A 37 -4.211 2.420 1.709 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.248 3.006 0.828 1.00 0.00 O ATOM 615 CG2 THR A 37 -4.687 3.460 2.709 1.00 0.00 C ATOM 0 H THR A 37 -5.008 0.736 3.908 1.00 0.00 H new ATOM 0 HA THR A 37 -3.062 0.597 1.703 1.00 0.00 H new ATOM 0 HB THR A 37 -5.068 2.074 1.132 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.509 2.837 -0.101 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.118 4.307 2.176 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.441 3.019 3.361 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.843 3.801 3.309 1.00 0.00 H new ATOM 623 N ARG A 38 -1.733 2.638 3.134 1.00 0.00 N ATOM 624 CA ARG A 38 -0.745 3.162 4.076 1.00 0.00 C ATOM 625 C ARG A 38 -1.365 4.215 4.995 1.00 0.00 C ATOM 626 O ARG A 38 -2.174 5.034 4.559 1.00 0.00 O ATOM 627 CB ARG A 38 0.460 3.746 3.327 1.00 0.00 C ATOM 628 CG ARG A 38 1.589 2.757 3.134 1.00 0.00 C ATOM 629 CD ARG A 38 2.605 3.250 2.117 1.00 0.00 C ATOM 630 NE ARG A 38 2.876 4.680 2.220 1.00 0.00 N ATOM 631 CZ ARG A 38 4.029 5.174 2.664 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.982 4.358 3.092 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.230 6.483 2.679 1.00 0.00 N ATOM 0 H ARG A 38 -1.696 3.057 2.205 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.400 2.334 4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.132 4.105 2.352 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.835 4.610 3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.086 2.582 4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.182 1.800 2.806 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.537 2.700 2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.242 3.027 1.114 1.00 0.00 H new ATOM 0 HE ARG A 38 2.145 5.333 1.938 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.832 3.349 3.081 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.865 4.739 3.432 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.500 7.115 2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.115 6.859 3.020 1.00 0.00 H new ATOM 647 N VAL A 39 -0.979 4.180 6.271 1.00 0.00 N ATOM 648 CA VAL A 39 -1.496 5.117 7.266 1.00 0.00 C ATOM 649 C VAL A 39 -1.300 6.564 6.827 1.00 0.00 C ATOM 650 O VAL A 39 -0.298 6.900 6.195 1.00 0.00 O ATOM 651 CB VAL A 39 -0.816 4.919 8.636 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.511 5.747 9.705 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.792 3.448 9.019 1.00 0.00 C ATOM 0 H VAL A 39 -0.306 3.508 6.640 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.562 4.910 7.359 1.00 0.00 H new ATOM 0 HB VAL A 39 0.215 5.263 8.558 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.016 5.593 10.664 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.462 6.802 9.437 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.554 5.440 9.782 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.308 3.332 9.989 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.813 3.070 9.076 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.238 2.885 8.268 1.00 0.00 H new ATOM 663 N GLY A 40 -2.263 7.416 7.167 1.00 0.00 N ATOM 664 CA GLY A 40 -2.182 8.817 6.797 1.00 0.00 C ATOM 665 C GLY A 40 -2.267 9.010 5.298 1.00 0.00 C ATOM 666 O GLY A 40 -2.235 10.138 4.803 1.00 0.00 O ATOM 0 H GLY A 40 -3.099 7.160 7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.989 9.368 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.245 9.236 7.165 1.00 0.00 H new ATOM 670 N PHE A 41 -2.378 7.900 4.579 1.00 0.00 N ATOM 671 CA PHE A 41 -2.466 7.921 3.129 1.00 0.00 C ATOM 672 C PHE A 41 -3.658 7.109 2.657 1.00 0.00 C ATOM 673 O PHE A 41 -3.532 6.190 1.847 1.00 0.00 O ATOM 674 CB PHE A 41 -1.169 7.399 2.527 1.00 0.00 C ATOM 675 CG PHE A 41 0.025 8.189 2.970 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.013 9.571 2.881 1.00 0.00 C ATOM 677 CD2 PHE A 41 1.148 7.561 3.477 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.102 10.315 3.290 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.242 8.300 3.887 1.00 0.00 C ATOM 680 CZ PHE A 41 2.219 9.679 3.794 1.00 0.00 C ATOM 0 H PHE A 41 -2.409 6.965 4.985 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.612 8.948 2.794 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.035 6.355 2.809 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.238 7.429 1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.858 10.073 2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.171 6.484 3.553 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.080 11.392 3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.115 7.800 4.280 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.073 10.257 4.115 1.00 0.00 H new ATOM 690 N VAL A 42 -4.815 7.454 3.197 1.00 0.00 N ATOM 691 CA VAL A 42 -6.062 6.799 2.841 1.00 0.00 C ATOM 692 C VAL A 42 -6.911 7.739 1.994 1.00 0.00 C ATOM 693 O VAL A 42 -7.246 8.844 2.424 1.00 0.00 O ATOM 694 CB VAL A 42 -6.833 6.375 4.100 1.00 0.00 C ATOM 695 CG1 VAL A 42 -8.054 5.551 3.730 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.908 5.605 5.029 1.00 0.00 C ATOM 0 H VAL A 42 -4.916 8.194 3.892 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.835 5.902 2.265 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.186 7.265 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.586 5.261 4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.714 6.143 3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.740 4.657 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.457 5.305 5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.534 4.718 4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.069 6.239 5.315 1.00 0.00 H new ATOM 706 N GLY A 43 -7.259 7.299 0.788 1.00 0.00 N ATOM 707 CA GLY A 43 -8.023 8.144 -0.109 1.00 0.00 C ATOM 708 C GLY A 43 -7.111 9.169 -0.754 1.00 0.00 C ATOM 709 O GLY A 43 -7.550 10.047 -1.497 1.00 0.00 O ATOM 0 H GLY A 43 -7.026 6.377 0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.501 7.536 -0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.819 8.647 0.441 1.00 0.00 H new ATOM 763 N LEU A 47 0.842 6.786 -1.863 1.00 0.00 N ATOM 764 CA LEU A 47 1.318 6.404 -0.543 1.00 0.00 C ATOM 765 C LEU A 47 2.786 6.766 -0.401 1.00 0.00 C ATOM 766 O LEU A 47 3.167 7.588 0.432 1.00 0.00 O ATOM 767 CB LEU A 47 1.130 4.901 -0.345 1.00 0.00 C ATOM 768 CG LEU A 47 -0.258 4.369 -0.701 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.309 2.860 -0.529 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.319 5.033 0.160 1.00 0.00 C ATOM 0 HA LEU A 47 0.746 6.939 0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.870 4.375 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.339 4.659 0.697 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.460 4.607 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.304 2.498 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.427 2.394 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.087 2.604 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.301 4.642 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.118 4.823 1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.300 6.110 -0.005 1.00 0.00 H new ATOM 782 N SER A 48 3.597 6.125 -1.229 1.00 0.00 N ATOM 783 CA SER A 48 5.040 6.350 -1.260 1.00 0.00 C ATOM 784 C SER A 48 5.386 7.838 -1.278 1.00 0.00 C ATOM 785 O SER A 48 4.510 8.696 -1.397 1.00 0.00 O ATOM 786 CB SER A 48 5.640 5.685 -2.496 1.00 0.00 C ATOM 787 OG SER A 48 7.045 5.842 -2.527 1.00 0.00 O ATOM 0 H SER A 48 3.274 5.430 -1.903 1.00 0.00 H new ATOM 0 HA SER A 48 5.458 5.914 -0.352 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.389 4.624 -2.500 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.202 6.119 -3.395 1.00 0.00 H new ATOM 0 HG SER A 48 7.430 5.504 -1.692 1.00 0.00 H new ATOM 793 N ASP A 49 6.681 8.130 -1.184 1.00 0.00 N ATOM 794 CA ASP A 49 7.165 9.507 -1.188 1.00 0.00 C ATOM 795 C ASP A 49 8.621 9.569 -1.632 1.00 0.00 C ATOM 796 O ASP A 49 8.917 9.824 -2.799 1.00 0.00 O ATOM 797 CB ASP A 49 7.026 10.134 0.202 1.00 0.00 C ATOM 798 CG ASP A 49 5.589 10.460 0.554 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.127 11.566 0.199 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.925 9.612 1.187 1.00 0.00 O ATOM 0 H ASP A 49 7.416 7.428 -1.104 1.00 0.00 H new ATOM 0 HA ASP A 49 6.556 10.070 -1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.432 9.450 0.947 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.623 11.045 0.247 1.00 0.00 H new ATOM 805 N GLU A 50 9.524 9.331 -0.688 1.00 0.00 N ATOM 806 CA GLU A 50 10.951 9.363 -0.965 1.00 0.00 C ATOM 807 C GLU A 50 11.668 8.194 -0.295 1.00 0.00 C ATOM 808 O GLU A 50 12.663 7.685 -0.809 1.00 0.00 O ATOM 809 CB GLU A 50 11.526 10.685 -0.467 1.00 0.00 C ATOM 810 CG GLU A 50 11.483 10.835 1.045 1.00 0.00 C ATOM 811 CD GLU A 50 12.085 12.142 1.521 1.00 0.00 C ATOM 812 OE1 GLU A 50 13.308 12.176 1.775 1.00 0.00 O ATOM 813 OE2 GLU A 50 11.334 13.134 1.639 1.00 0.00 O ATOM 0 H GLU A 50 9.289 9.113 0.280 1.00 0.00 H new ATOM 0 HA GLU A 50 11.103 9.274 -2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.559 10.772 -0.803 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.972 11.507 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.449 10.772 1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.019 10.004 1.504 1.00 0.00 H new ATOM 820 N ILE A 51 11.152 7.776 0.857 1.00 0.00 N ATOM 821 CA ILE A 51 11.738 6.673 1.609 1.00 0.00 C ATOM 822 C ILE A 51 11.448 5.332 0.950 1.00 0.00 C ATOM 823 O ILE A 51 12.302 4.766 0.272 1.00 0.00 O ATOM 824 CB ILE A 51 11.197 6.648 3.049 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.290 8.040 3.670 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.956 5.629 3.886 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.711 8.517 3.890 1.00 0.00 C ATOM 0 H ILE A 51 10.326 8.187 1.291 1.00 0.00 H new ATOM 0 HA ILE A 51 12.816 6.834 1.624 1.00 0.00 H new ATOM 0 HB ILE A 51 10.148 6.351 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.774 8.751 3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.765 8.037 4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.560 5.625 4.902 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.839 4.638 3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 51 13.013 5.893 3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.696 9.513 4.334 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.226 7.829 4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.235 8.553 2.935 1.00 0.00 H new ATOM 839 N LEU A 52 10.245 4.820 1.171 1.00 0.00 N ATOM 840 CA LEU A 52 9.836 3.544 0.594 1.00 0.00 C ATOM 841 C LEU A 52 8.971 3.738 -0.644 1.00 0.00 C ATOM 842 O LEU A 52 7.881 4.299 -0.557 1.00 0.00 O ATOM 843 CB LEU A 52 9.052 2.726 1.623 1.00 0.00 C ATOM 844 CG LEU A 52 9.882 1.749 2.450 1.00 0.00 C ATOM 845 CD1 LEU A 52 9.092 1.264 3.654 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.324 0.569 1.599 1.00 0.00 C ATOM 0 H LEU A 52 9.533 5.269 1.747 1.00 0.00 H new ATOM 0 HA LEU A 52 10.743 3.014 0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.548 3.414 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.275 2.166 1.102 1.00 0.00 H new ATOM 0 HG LEU A 52 10.770 2.271 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.700 0.568 4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.822 2.115 4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.186 0.760 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.915 -0.117 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.447 0.049 1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.928 0.928 0.765 1.00 0.00 H new ATOM 858 N GLU A 53 9.471 3.295 -1.799 1.00 0.00 N ATOM 859 CA GLU A 53 8.707 3.381 -3.038 1.00 0.00 C ATOM 860 C GLU A 53 7.524 2.423 -2.977 1.00 0.00 C ATOM 861 O GLU A 53 7.497 1.403 -3.666 1.00 0.00 O ATOM 862 CB GLU A 53 9.591 3.040 -4.236 1.00 0.00 C ATOM 863 CG GLU A 53 10.000 4.249 -5.049 1.00 0.00 C ATOM 864 CD GLU A 53 9.094 4.490 -6.240 1.00 0.00 C ATOM 865 OE1 GLU A 53 9.383 3.946 -7.326 1.00 0.00 O ATOM 866 OE2 GLU A 53 8.094 5.223 -6.085 1.00 0.00 O ATOM 0 H GLU A 53 10.396 2.876 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 53 8.342 4.401 -3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.487 2.530 -3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.060 2.341 -4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.993 5.131 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.024 4.117 -5.398 1.00 0.00 H new ATOM 873 N VAL A 54 6.552 2.755 -2.137 1.00 0.00 N ATOM 874 CA VAL A 54 5.379 1.918 -1.961 1.00 0.00 C ATOM 875 C VAL A 54 4.411 2.032 -3.126 1.00 0.00 C ATOM 876 O VAL A 54 3.452 2.804 -3.079 1.00 0.00 O ATOM 877 CB VAL A 54 4.625 2.251 -0.664 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.577 1.186 -0.387 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.594 2.387 0.500 1.00 0.00 C ATOM 0 H VAL A 54 6.556 3.601 -1.567 1.00 0.00 H new ATOM 0 HA VAL A 54 5.755 0.896 -1.909 1.00 0.00 H new ATOM 0 HB VAL A 54 4.118 3.209 -0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.046 1.428 0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.869 1.148 -1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.063 0.216 -0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.040 2.623 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.133 1.449 0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.305 3.186 0.290 1.00 0.00 H new ATOM 889 N VAL A 55 4.674 1.271 -4.175 1.00 0.00 N ATOM 890 CA VAL A 55 3.804 1.258 -5.333 1.00 0.00 C ATOM 891 C VAL A 55 2.655 0.300 -5.086 1.00 0.00 C ATOM 892 O VAL A 55 2.701 -0.867 -5.477 1.00 0.00 O ATOM 893 CB VAL A 55 4.541 0.824 -6.603 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.639 0.994 -7.813 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.833 1.611 -6.770 1.00 0.00 C ATOM 0 H VAL A 55 5.484 0.655 -4.246 1.00 0.00 H new ATOM 0 HA VAL A 55 3.440 2.275 -5.482 1.00 0.00 H new ATOM 0 HB VAL A 55 4.803 -0.230 -6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.172 0.683 -8.711 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.746 0.381 -7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.350 2.041 -7.907 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.341 1.287 -7.678 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.605 2.674 -6.841 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.480 1.436 -5.910 1.00 0.00 H new ATOM 905 N CYS A 56 1.634 0.797 -4.418 1.00 0.00 N ATOM 906 CA CYS A 56 0.474 -0.013 -4.088 1.00 0.00 C ATOM 907 C CYS A 56 -0.666 0.231 -5.057 1.00 0.00 C ATOM 908 O CYS A 56 -1.074 1.370 -5.282 1.00 0.00 O ATOM 909 CB CYS A 56 0.007 0.279 -2.665 1.00 0.00 C ATOM 910 SG CYS A 56 -1.569 -0.494 -2.233 1.00 0.00 S ATOM 0 H CYS A 56 1.582 1.762 -4.091 1.00 0.00 H new ATOM 0 HA CYS A 56 0.772 -1.059 -4.164 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.771 -0.062 -1.966 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.083 1.358 -2.537 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.669 -1.641 -2.836 1.00 0.00 H new ATOM 916 N LYS A 57 -1.174 -0.849 -5.626 1.00 0.00 N ATOM 917 CA LYS A 57 -2.279 -0.763 -6.556 1.00 0.00 C ATOM 918 C LYS A 57 -3.530 -1.333 -5.914 1.00 0.00 C ATOM 919 O LYS A 57 -3.649 -2.545 -5.718 1.00 0.00 O ATOM 920 CB LYS A 57 -1.967 -1.522 -7.841 1.00 0.00 C ATOM 921 CG LYS A 57 -0.543 -1.327 -8.336 1.00 0.00 C ATOM 922 CD LYS A 57 -0.279 -2.121 -9.605 1.00 0.00 C ATOM 923 CE LYS A 57 1.151 -1.942 -10.088 1.00 0.00 C ATOM 924 NZ LYS A 57 1.463 -0.517 -10.388 1.00 0.00 N ATOM 0 H LYS A 57 -0.836 -1.796 -5.457 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.441 0.285 -6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.142 -2.585 -7.676 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.660 -1.201 -8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.364 -0.268 -8.524 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.158 -1.635 -7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.472 -3.178 -9.421 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.970 -1.802 -10.385 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.839 -2.312 -9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.310 -2.544 -10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.357 -0.461 -10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.697 -0.107 -10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.553 0.014 -9.498 1.00 0.00 H new ATOM 938 N TYR A 58 -4.447 -0.453 -5.561 1.00 0.00 N ATOM 939 CA TYR A 58 -5.691 -0.874 -4.946 1.00 0.00 C ATOM 940 C TYR A 58 -6.660 -1.327 -6.025 1.00 0.00 C ATOM 941 O TYR A 58 -7.250 -0.509 -6.731 1.00 0.00 O ATOM 942 CB TYR A 58 -6.307 0.258 -4.107 1.00 0.00 C ATOM 943 CG TYR A 58 -7.500 -0.167 -3.271 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.505 -0.977 -3.800 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.621 0.245 -1.946 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.592 -1.360 -3.048 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.711 -0.135 -1.185 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.695 -0.935 -1.741 1.00 0.00 C ATOM 949 OH TYR A 58 -10.779 -1.314 -0.982 1.00 0.00 O ATOM 0 H TYR A 58 -4.355 0.555 -5.689 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.485 -1.706 -4.273 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.541 0.664 -3.447 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.613 1.064 -4.774 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.428 -1.311 -4.824 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.855 0.868 -1.508 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.358 -1.988 -3.478 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.795 0.191 -0.159 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.699 -0.931 -0.083 1.00 0.00 H new ATOM 959 N THR A 59 -6.817 -2.637 -6.146 1.00 0.00 N ATOM 960 CA THR A 59 -7.723 -3.207 -7.127 1.00 0.00 C ATOM 961 C THR A 59 -9.012 -3.658 -6.447 1.00 0.00 C ATOM 962 O THR A 59 -8.986 -4.504 -5.557 1.00 0.00 O ATOM 963 CB THR A 59 -7.077 -4.402 -7.853 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.668 -4.184 -7.991 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.696 -4.594 -9.227 1.00 0.00 C ATOM 0 H THR A 59 -6.327 -3.325 -5.575 1.00 0.00 H new ATOM 0 HA THR A 59 -7.948 -2.437 -7.865 1.00 0.00 H new ATOM 0 HB THR A 59 -7.253 -5.300 -7.260 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.262 -4.948 -8.452 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.225 -5.443 -9.723 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.765 -4.782 -9.122 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.543 -3.695 -9.824 1.00 0.00 H new ATOM 973 N PRO A 60 -10.158 -3.083 -6.848 1.00 0.00 N ATOM 974 CA PRO A 60 -11.452 -3.406 -6.274 1.00 0.00 C ATOM 975 C PRO A 60 -12.209 -4.470 -7.063 1.00 0.00 C ATOM 976 O PRO A 60 -11.654 -5.111 -7.955 1.00 0.00 O ATOM 977 CB PRO A 60 -12.170 -2.064 -6.355 1.00 0.00 C ATOM 978 CG PRO A 60 -11.610 -1.396 -7.573 1.00 0.00 C ATOM 979 CD PRO A 60 -10.287 -2.052 -7.885 1.00 0.00 C ATOM 0 HA PRO A 60 -11.373 -3.827 -5.272 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.248 -2.198 -6.439 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.992 -1.467 -5.461 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.295 -1.497 -8.414 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.476 -0.329 -7.397 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.281 -2.486 -8.885 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.465 -1.337 -7.843 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.809 -6.698 -4.042 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.806 -6.809 -2.996 1.00 0.00 C ATOM 1137 C ILE A 73 -6.917 -5.574 -2.954 1.00 0.00 C ATOM 1138 O ILE A 73 -7.263 -4.521 -3.492 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.909 -8.047 -3.178 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -6.214 -8.033 -4.537 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.700 -9.326 -2.990 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.900 -8.784 -4.528 1.00 0.00 C ATOM 0 HA ILE A 73 -8.356 -6.906 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.138 -8.011 -2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.875 -8.474 -5.283 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.036 -7.001 -4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.041 -10.184 -3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.124 -9.347 -1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.504 -9.368 -3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.450 -8.741 -5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.225 -8.328 -3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.077 -9.824 -4.254 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.767 -5.715 -2.303 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.817 -4.625 -2.170 1.00 0.00 C ATOM 1156 C TYR A 74 -3.395 -5.140 -2.372 1.00 0.00 C ATOM 1157 O TYR A 74 -2.870 -5.862 -1.525 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.952 -4.000 -0.780 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.348 -4.101 -0.196 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.799 -5.282 0.390 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.212 -3.018 -0.223 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -8.066 -5.375 0.926 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.482 -3.106 0.318 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.903 -4.285 0.890 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.167 -4.373 1.426 1.00 0.00 O ATOM 0 H TYR A 74 -5.472 -6.583 -1.857 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.027 -3.871 -2.929 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.249 -4.486 -0.103 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.666 -2.950 -0.835 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.144 -6.140 0.425 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.889 -2.091 -0.673 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.399 -6.300 1.372 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.142 -2.251 0.292 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.628 -3.515 1.320 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.771 -4.771 -3.488 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.412 -5.218 -3.770 1.00 0.00 C ATOM 1177 C VAL A 75 -0.414 -4.095 -3.512 1.00 0.00 C ATOM 1178 O VAL A 75 -0.385 -3.092 -4.222 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.259 -5.745 -5.214 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -1.734 -4.721 -6.229 1.00 0.00 C ATOM 1181 CG2 VAL A 75 0.183 -6.143 -5.489 1.00 0.00 C ATOM 0 H VAL A 75 -3.180 -4.170 -4.204 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.202 -6.047 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.888 -6.630 -5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.613 -5.123 -7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.786 -4.495 -6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.145 -3.809 -6.129 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.270 -6.512 -6.511 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.831 -5.276 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.483 -6.927 -4.794 1.00 0.00 H new ATOM 1191 N VAL A 76 0.397 -4.274 -2.481 1.00 0.00 N ATOM 1192 CA VAL A 76 1.385 -3.271 -2.097 1.00 0.00 C ATOM 1193 C VAL A 76 2.806 -3.670 -2.491 1.00 0.00 C ATOM 1194 O VAL A 76 3.285 -4.738 -2.111 1.00 0.00 O ATOM 1195 CB VAL A 76 1.354 -3.029 -0.575 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.270 -1.877 -0.198 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.067 -2.774 -0.095 1.00 0.00 C ATOM 0 H VAL A 76 0.392 -5.107 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 76 1.117 -2.361 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 76 1.718 -3.929 -0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.234 -1.722 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.292 -2.111 -0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.942 -0.970 -0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.063 -2.606 0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.469 -1.894 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.689 -3.639 -0.325 1.00 0.00 H new ATOM 1207 N LEU A 77 3.475 -2.804 -3.258 1.00 0.00 N ATOM 1208 CA LEU A 77 4.857 -3.044 -3.665 1.00 0.00 C ATOM 1209 C LEU A 77 5.775 -2.072 -2.946 1.00 0.00 C ATOM 1210 O LEU A 77 5.890 -0.913 -3.334 1.00 0.00 O ATOM 1211 CB LEU A 77 5.027 -2.884 -5.178 1.00 0.00 C ATOM 1212 CG LEU A 77 4.341 -3.958 -6.021 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.528 -3.673 -7.503 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.881 -5.334 -5.668 1.00 0.00 C ATOM 0 H LEU A 77 3.079 -1.931 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 77 5.117 -4.069 -3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.638 -1.909 -5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.092 -2.885 -5.411 1.00 0.00 H new ATOM 0 HG LEU A 77 3.273 -3.941 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.033 -4.448 -8.088 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.094 -2.703 -7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.592 -3.663 -7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.382 -6.088 -6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.954 -5.364 -5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.695 -5.538 -4.614 1.00 0.00 H new ATOM 1226 N VAL A 78 6.433 -2.545 -1.902 1.00 0.00 N ATOM 1227 CA VAL A 78 7.319 -1.687 -1.128 1.00 0.00 C ATOM 1228 C VAL A 78 8.762 -1.807 -1.605 1.00 0.00 C ATOM 1229 O VAL A 78 9.416 -2.826 -1.393 1.00 0.00 O ATOM 1230 CB VAL A 78 7.242 -2.011 0.376 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.941 -0.750 1.179 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.195 -3.079 0.646 1.00 0.00 C ATOM 0 H VAL A 78 6.373 -3.508 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 78 6.983 -0.662 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 78 8.211 -2.398 0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.890 -0.997 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.731 -0.017 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.987 -0.333 0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.159 -3.291 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.219 -2.725 0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.455 -3.988 0.104 1.00 0.00 H new ATOM 1242 N LYS A 79 9.248 -0.751 -2.255 1.00 0.00 N ATOM 1243 CA LYS A 79 10.611 -0.724 -2.775 1.00 0.00 C ATOM 1244 C LYS A 79 11.460 0.325 -2.057 1.00 0.00 C ATOM 1245 O LYS A 79 11.460 1.493 -2.437 1.00 0.00 O ATOM 1246 CB LYS A 79 10.596 -0.432 -4.276 1.00 0.00 C ATOM 1247 CG LYS A 79 10.356 -1.663 -5.134 1.00 0.00 C ATOM 1248 CD LYS A 79 10.463 -1.341 -6.617 1.00 0.00 C ATOM 1249 CE LYS A 79 9.362 -0.392 -7.067 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.457 -0.079 -8.520 1.00 0.00 N ATOM 0 H LYS A 79 8.714 0.100 -2.434 1.00 0.00 H new ATOM 0 HA LYS A 79 11.054 -1.704 -2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.820 0.304 -4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.547 0.018 -4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.081 -2.435 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.368 -2.070 -4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.436 -0.894 -6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.407 -2.264 -7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.390 -0.837 -6.854 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.422 0.532 -6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.689 0.570 -8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.374 0.369 -8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.374 -0.957 -9.070 1.00 0.00 H new ATOM 1264 N PRO A 80 12.199 -0.076 -1.007 1.00 0.00 N ATOM 1265 CA PRO A 80 13.049 0.843 -0.246 1.00 0.00 C ATOM 1266 C PRO A 80 13.966 1.669 -1.141 1.00 0.00 C ATOM 1267 O PRO A 80 14.955 1.168 -1.673 1.00 0.00 O ATOM 1268 CB PRO A 80 13.874 -0.074 0.668 1.00 0.00 C ATOM 1269 CG PRO A 80 13.595 -1.471 0.211 1.00 0.00 C ATOM 1270 CD PRO A 80 12.261 -1.441 -0.475 1.00 0.00 C ATOM 0 HA PRO A 80 12.452 1.573 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.937 0.156 0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.591 0.059 1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.373 -1.818 -0.469 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.580 -2.159 1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.197 -2.187 -1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.445 -1.642 0.219 1.00 0.00 H new ATOM 1278 N ARG A 81 13.621 2.942 -1.301 1.00 0.00 N ATOM 1279 CA ARG A 81 14.405 3.854 -2.128 1.00 0.00 C ATOM 1280 C ARG A 81 15.749 4.160 -1.477 1.00 0.00 C ATOM 1281 O ARG A 81 16.763 4.309 -2.158 1.00 0.00 O ATOM 1282 CB ARG A 81 13.642 5.159 -2.354 1.00 0.00 C ATOM 1283 CG ARG A 81 13.071 5.303 -3.752 1.00 0.00 C ATOM 1284 CD ARG A 81 12.133 6.495 -3.836 1.00 0.00 C ATOM 1285 NE ARG A 81 11.706 6.761 -5.208 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.024 7.842 -5.571 1.00 0.00 C ATOM 1287 NH1 ARG A 81 10.690 8.755 -4.668 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.672 8.011 -6.838 1.00 0.00 N ATOM 0 H ARG A 81 12.801 3.367 -0.868 1.00 0.00 H new ATOM 0 HA ARG A 81 14.580 3.367 -3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.828 5.222 -1.631 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.310 5.998 -2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.883 5.423 -4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.535 4.394 -4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.257 6.312 -3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.631 7.377 -3.434 1.00 0.00 H new ATOM 0 HE ARG A 81 11.945 6.078 -5.927 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.957 8.628 -3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.166 9.584 -4.950 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.925 7.311 -7.535 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.148 8.841 -7.115 1.00 0.00 H new ATOM 1302 N LYS A 82 15.745 4.249 -0.151 1.00 0.00 N ATOM 1303 CA LYS A 82 16.956 4.551 0.601 1.00 0.00 C ATOM 1304 C LYS A 82 17.321 3.397 1.530 1.00 0.00 C ATOM 1305 O LYS A 82 16.658 2.360 1.538 1.00 0.00 O ATOM 1306 CB LYS A 82 16.763 5.831 1.418 1.00 0.00 C ATOM 1307 CG LYS A 82 16.194 6.988 0.611 1.00 0.00 C ATOM 1308 CD LYS A 82 16.075 8.250 1.450 1.00 0.00 C ATOM 1309 CE LYS A 82 15.467 9.393 0.654 1.00 0.00 C ATOM 1310 NZ LYS A 82 16.296 9.745 -0.532 1.00 0.00 N ATOM 0 H LYS A 82 14.914 4.116 0.425 1.00 0.00 H new ATOM 0 HA LYS A 82 17.770 4.695 -0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.097 5.621 2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.722 6.131 1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.834 7.182 -0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.213 6.714 0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.460 8.048 2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.061 8.542 1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.465 9.115 0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.362 10.267 1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.977 10.656 -0.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.294 9.820 -0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.197 9.006 -1.257 1.00 0.00 H new ATOM 1324 N ARG A 83 18.382 3.585 2.307 1.00 0.00 N ATOM 1325 CA ARG A 83 18.833 2.565 3.246 1.00 0.00 C ATOM 1326 C ARG A 83 18.837 3.109 4.670 1.00 0.00 C ATOM 1327 O ARG A 83 19.174 4.271 4.899 1.00 0.00 O ATOM 1328 CB ARG A 83 20.234 2.086 2.871 1.00 0.00 C ATOM 1329 CG ARG A 83 20.382 1.735 1.400 1.00 0.00 C ATOM 1330 CD ARG A 83 21.843 1.589 1.008 1.00 0.00 C ATOM 1331 NE ARG A 83 22.001 1.272 -0.408 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.179 1.172 -1.015 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.300 1.364 -0.332 1.00 0.00 N ATOM 1334 NH2 ARG A 83 23.239 0.879 -2.307 1.00 0.00 N ATOM 0 H ARG A 83 18.946 4.435 2.305 1.00 0.00 H new ATOM 0 HA ARG A 83 18.142 1.724 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.955 2.863 3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.483 1.211 3.472 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.853 0.805 1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.916 2.510 0.791 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.373 2.514 1.233 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.303 0.804 1.609 1.00 0.00 H new ATOM 0 HE ARG A 83 21.159 1.118 -0.963 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.259 1.589 0.662 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.203 1.286 -0.801 1.00 0.00 H new ATOM 0 HH21 ARG A 83 22.380 0.730 -2.837 1.00 0.00 H new ATOM 0 HH22 ARG A 83 24.144 0.803 -2.771 1.00 0.00 H new ATOM 1348 N GLY A 84 18.460 2.265 5.622 1.00 0.00 N ATOM 1349 CA GLY A 84 18.428 2.682 7.012 1.00 0.00 C ATOM 1350 C GLY A 84 17.246 2.106 7.765 1.00 0.00 C ATOM 1351 O GLY A 84 17.218 0.912 8.066 1.00 0.00 O ATOM 0 H GLY A 84 18.176 1.299 5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.352 2.373 7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.390 3.770 7.060 1.00 0.00 H new ATOM 1355 N HIS A 85 16.268 2.953 8.068 1.00 0.00 N ATOM 1356 CA HIS A 85 15.080 2.518 8.793 1.00 0.00 C ATOM 1357 C HIS A 85 13.808 2.888 8.037 1.00 0.00 C ATOM 1358 O HIS A 85 13.301 4.003 8.161 1.00 0.00 O ATOM 1359 CB HIS A 85 15.051 3.134 10.191 1.00 0.00 C ATOM 1360 CG HIS A 85 16.245 2.789 11.024 1.00 0.00 C ATOM 1361 ND1 HIS A 85 17.330 3.629 11.170 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.522 1.688 11.762 1.00 0.00 C ATOM 1363 CE1 HIS A 85 18.222 3.058 11.960 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.756 1.881 12.334 1.00 0.00 N ATOM 0 H HIS A 85 16.275 3.943 7.823 1.00 0.00 H new ATOM 0 HA HIS A 85 15.124 1.433 8.883 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.984 4.218 10.100 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.150 2.801 10.707 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.890 0.820 11.879 1.00 0.00 H new ATOM 0 HE1 HIS A 85 19.172 3.482 12.251 1.00 0.00 H new ATOM 0 HE2 HIS A 85 18.234 1.222 12.948 1.00 0.00 H new ATOM 1373 N HIS A 86 13.304 1.945 7.250 1.00 0.00 N ATOM 1374 CA HIS A 86 12.087 2.157 6.475 1.00 0.00 C ATOM 1375 C HIS A 86 10.949 1.316 7.043 1.00 0.00 C ATOM 1376 O HIS A 86 11.188 0.369 7.792 1.00 0.00 O ATOM 1377 CB HIS A 86 12.321 1.799 5.008 1.00 0.00 C ATOM 1378 CG HIS A 86 13.379 2.624 4.342 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.284 3.397 5.039 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.671 2.797 3.031 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.086 4.009 4.186 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.735 3.661 2.962 1.00 0.00 N ATOM 0 H HIS A 86 13.721 1.022 7.131 1.00 0.00 H new ATOM 0 HA HIS A 86 11.814 3.210 6.538 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.599 0.747 4.941 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.385 1.917 4.462 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.327 3.483 6.054 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.161 2.340 2.195 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.892 4.680 4.446 1.00 0.00 H new ATOM 1391 N THR A 87 9.712 1.655 6.687 1.00 0.00 N ATOM 1392 CA THR A 87 8.558 0.917 7.188 1.00 0.00 C ATOM 1393 C THR A 87 7.317 1.119 6.321 1.00 0.00 C ATOM 1394 O THR A 87 7.131 2.175 5.715 1.00 0.00 O ATOM 1395 CB THR A 87 8.222 1.340 8.629 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.341 1.093 9.489 1.00 0.00 O ATOM 1397 CG2 THR A 87 7.008 0.587 9.140 1.00 0.00 C ATOM 0 H THR A 87 9.485 2.427 6.060 1.00 0.00 H new ATOM 0 HA THR A 87 8.835 -0.137 7.159 1.00 0.00 H new ATOM 0 HB THR A 87 7.997 2.406 8.628 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.170 0.292 10.027 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.788 0.901 10.160 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.151 0.802 8.501 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.212 -0.484 9.126 1.00 0.00 H new ATOM 1405 N LEU A 88 6.467 0.095 6.281 1.00 0.00 N ATOM 1406 CA LEU A 88 5.231 0.143 5.513 1.00 0.00 C ATOM 1407 C LEU A 88 4.036 -0.036 6.439 1.00 0.00 C ATOM 1408 O LEU A 88 3.481 -1.127 6.555 1.00 0.00 O ATOM 1409 CB LEU A 88 5.209 -0.940 4.435 1.00 0.00 C ATOM 1410 CG LEU A 88 3.876 -1.076 3.693 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.672 0.100 2.755 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.815 -2.387 2.927 1.00 0.00 C ATOM 0 H LEU A 88 6.616 -0.784 6.777 1.00 0.00 H new ATOM 0 HA LEU A 88 5.175 1.116 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.994 -0.727 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.452 -1.897 4.896 1.00 0.00 H new ATOM 0 HG LEU A 88 3.072 -1.077 4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.721 -0.010 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.666 1.027 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.483 0.129 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.859 -2.461 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.626 -2.422 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.916 -3.220 3.623 1.00 0.00 H new ATOM 1424 N GLU A 89 3.654 1.038 7.106 1.00 0.00 N ATOM 1425 CA GLU A 89 2.531 0.992 8.028 1.00 0.00 C ATOM 1426 C GLU A 89 1.209 1.017 7.277 1.00 0.00 C ATOM 1427 O GLU A 89 0.813 2.042 6.725 1.00 0.00 O ATOM 1428 CB GLU A 89 2.600 2.157 9.016 1.00 0.00 C ATOM 1429 CG GLU A 89 3.554 3.253 8.584 1.00 0.00 C ATOM 1430 CD GLU A 89 3.392 4.527 9.389 1.00 0.00 C ATOM 1431 OE1 GLU A 89 4.072 4.662 10.428 1.00 0.00 O ATOM 1432 OE2 GLU A 89 2.587 5.389 8.981 1.00 0.00 O ATOM 0 H GLU A 89 4.103 1.951 7.028 1.00 0.00 H new ATOM 0 HA GLU A 89 2.591 0.057 8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.603 2.580 9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.908 1.780 9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.579 2.895 8.682 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.393 3.473 7.529 1.00 0.00 H new ATOM 1439 N LEU A 90 0.544 -0.129 7.244 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.744 -0.248 6.575 1.00 0.00 C ATOM 1441 C LEU A 90 -1.868 -0.259 7.602 1.00 0.00 C ATOM 1442 O LEU A 90 -1.663 -0.650 8.754 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.798 -1.514 5.715 1.00 0.00 C ATOM 1444 CG LEU A 90 0.166 -1.533 4.523 1.00 0.00 C ATOM 1445 CD1 LEU A 90 -0.015 -2.809 3.715 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.043 -0.310 3.642 1.00 0.00 C ATOM 0 H LEU A 90 0.876 -0.992 7.674 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.871 0.614 5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.584 -2.374 6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.815 -1.638 5.342 1.00 0.00 H new ATOM 0 HG LEU A 90 1.186 -1.507 4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.676 -2.807 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.187 -3.673 4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.039 -2.863 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.651 -0.344 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.066 -0.302 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.136 0.593 4.225 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.055 0.166 7.184 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.197 0.220 8.083 1.00 0.00 C ATOM 1460 C VAL A 91 -5.510 -0.054 7.343 1.00 0.00 C ATOM 1461 O VAL A 91 -5.622 0.196 6.137 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.279 1.601 8.768 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.413 2.708 7.729 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.427 1.649 9.765 1.00 0.00 C ATOM 0 H VAL A 91 -3.249 0.477 6.232 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.054 -0.556 8.835 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.353 1.761 9.320 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.469 3.674 8.231 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.547 2.693 7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.319 2.550 7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.462 2.633 10.233 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.367 1.460 9.247 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.276 0.888 10.531 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.491 -0.578 8.079 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.812 -0.880 7.524 1.00 0.00 C ATOM 1476 C TYR A 92 -8.806 0.200 7.949 1.00 0.00 C ATOM 1477 O TYR A 92 -9.427 0.098 9.005 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.280 -2.255 8.008 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.413 -2.851 7.200 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.347 -2.915 5.813 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.543 -3.360 7.827 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.377 -3.468 5.075 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.576 -3.916 7.095 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.488 -3.967 5.720 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.514 -4.519 4.988 1.00 0.00 O ATOM 0 H TYR A 92 -6.394 -0.804 9.069 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.752 -0.897 6.436 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.434 -2.942 7.986 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.596 -2.172 9.048 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.477 -2.527 5.304 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.616 -3.321 8.904 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.311 -3.509 3.998 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.448 -4.308 7.598 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.221 -4.824 5.594 1.00 0.00 H new ATOM 1495 N THR A 93 -8.959 1.229 7.118 1.00 0.00 N ATOM 1496 CA THR A 93 -9.839 2.351 7.445 1.00 0.00 C ATOM 1497 C THR A 93 -10.788 2.725 6.312 1.00 0.00 C ATOM 1498 O THR A 93 -10.558 2.385 5.160 1.00 0.00 O ATOM 1499 CB THR A 93 -9.006 3.588 7.760 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.865 4.689 8.067 1.00 0.00 O ATOM 1501 CG2 THR A 93 -8.130 3.935 6.570 1.00 0.00 C ATOM 0 H THR A 93 -8.488 1.310 6.217 1.00 0.00 H new ATOM 0 HA THR A 93 -10.430 2.025 8.300 1.00 0.00 H new ATOM 0 HB THR A 93 -8.372 3.380 8.622 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.050 5.198 7.250 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.537 4.820 6.801 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.465 3.099 6.352 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.758 4.135 5.702 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.836 3.472 6.656 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.817 3.925 5.674 1.00 0.00 C ATOM 1511 C ARG A 94 -12.473 5.332 5.178 1.00 0.00 C ATOM 1512 O ARG A 94 -12.829 6.319 5.818 1.00 0.00 O ATOM 1513 CB ARG A 94 -14.221 3.932 6.283 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.641 2.598 6.876 1.00 0.00 C ATOM 1515 CD ARG A 94 -16.041 2.666 7.464 1.00 0.00 C ATOM 1516 NE ARG A 94 -17.037 3.042 6.464 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.310 3.300 6.752 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.739 3.226 8.004 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -19.155 3.635 5.786 1.00 0.00 N ATOM 0 H ARG A 94 -12.027 3.776 7.611 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.793 3.233 4.832 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.265 4.694 7.061 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.939 4.219 5.514 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.606 1.829 6.105 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.933 2.304 7.651 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.303 1.697 7.890 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.057 3.388 8.280 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.740 3.111 5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.092 2.971 8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.716 3.425 8.221 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.829 3.695 4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.131 3.833 6.008 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.765 5.443 4.037 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.375 6.733 3.459 1.00 0.00 C ATOM 1535 C PRO A 95 -12.516 7.747 3.441 1.00 0.00 C ATOM 1536 O PRO A 95 -12.296 8.947 3.602 1.00 0.00 O ATOM 1537 CB PRO A 95 -10.963 6.383 2.017 1.00 0.00 C ATOM 1538 CG PRO A 95 -11.256 4.924 1.843 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.275 4.330 3.219 1.00 0.00 C ATOM 0 HA PRO A 95 -10.585 7.202 4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.521 6.981 1.296 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.906 6.590 1.853 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.213 4.777 1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.497 4.446 1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.933 3.463 3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.284 4.001 3.533 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.733 7.254 3.247 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.909 8.100 3.190 1.00 0.00 C ATOM 1549 C PHE A 96 -15.288 8.649 4.567 1.00 0.00 C ATOM 1550 O PHE A 96 -15.730 9.792 4.685 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.065 7.295 2.610 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.809 6.796 1.216 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.039 5.664 1.003 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.335 7.460 0.119 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -14.798 5.203 -0.277 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.098 7.004 -1.164 1.00 0.00 C ATOM 1557 CZ PHE A 96 -15.328 5.874 -1.362 1.00 0.00 C ATOM 0 H PHE A 96 -13.928 6.260 3.126 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.687 8.957 2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.267 6.444 3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.962 7.914 2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.622 5.136 1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -16.937 8.344 0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.196 4.319 -0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -16.514 7.530 -2.010 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.141 5.516 -2.364 1.00 0.00 H new ATOM 1567 N GLU A 97 -15.112 7.834 5.602 1.00 0.00 N ATOM 1568 CA GLU A 97 -15.452 8.243 6.963 1.00 0.00 C ATOM 1569 C GLU A 97 -14.210 8.620 7.765 1.00 0.00 C ATOM 1570 O GLU A 97 -14.293 8.879 8.966 1.00 0.00 O ATOM 1571 CB GLU A 97 -16.197 7.117 7.678 1.00 0.00 C ATOM 1572 CG GLU A 97 -17.518 6.746 7.022 1.00 0.00 C ATOM 1573 CD GLU A 97 -18.497 7.903 6.989 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -19.278 8.049 7.954 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.485 8.663 5.998 1.00 0.00 O ATOM 0 H GLU A 97 -14.737 6.888 5.526 1.00 0.00 H new ATOM 0 HA GLU A 97 -16.091 9.123 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -15.558 6.235 7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -16.385 7.415 8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.331 6.404 6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.966 5.911 7.561 1.00 0.00 H new ATOM 1582 N GLY A 98 -13.062 8.651 7.101 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.825 8.990 7.782 1.00 0.00 C ATOM 1584 C GLY A 98 -11.194 7.785 8.438 1.00 0.00 C ATOM 1585 O GLY A 98 -11.605 6.652 8.188 1.00 0.00 O ATOM 0 H GLY A 98 -12.964 8.448 6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.124 9.423 7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.023 9.752 8.536 1.00 0.00 H new ATOM 1589 N ILE A 99 -10.198 8.023 9.280 1.00 0.00 N ATOM 1590 CA ILE A 99 -9.511 6.935 9.950 1.00 0.00 C ATOM 1591 C ILE A 99 -9.674 6.992 11.464 1.00 0.00 C ATOM 1592 O ILE A 99 -9.897 8.055 12.043 1.00 0.00 O ATOM 1593 CB ILE A 99 -8.018 6.934 9.600 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.823 7.336 8.135 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -7.423 5.559 9.872 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -6.375 7.543 7.748 1.00 0.00 C ATOM 0 H ILE A 99 -9.852 8.954 9.512 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.972 6.013 9.594 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.500 7.662 10.225 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.254 6.566 7.496 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.376 8.255 7.943 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.362 5.565 9.621 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.545 5.312 10.927 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.935 4.814 9.263 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -6.316 7.826 6.697 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.944 8.334 8.361 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.820 6.618 7.907 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.558 5.826 12.088 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.689 5.695 13.532 1.00 0.00 C ATOM 1610 C LYS A 100 -8.600 4.782 14.088 1.00 0.00 C ATOM 1611 O LYS A 100 -7.964 4.039 13.341 1.00 0.00 O ATOM 1612 CB LYS A 100 -11.064 5.125 13.892 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.767 4.436 12.730 1.00 0.00 C ATOM 1614 CD LYS A 100 -12.579 5.416 11.895 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.803 5.916 12.646 1.00 0.00 C ATOM 1616 NZ LYS A 100 -14.687 4.799 13.078 1.00 0.00 N ATOM 0 H LYS A 100 -9.371 4.946 11.607 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.583 6.686 13.974 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.949 4.413 14.709 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.697 5.933 14.260 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.027 3.946 12.097 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -12.424 3.656 13.114 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.952 6.263 11.616 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -12.892 4.933 10.969 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.485 6.485 13.519 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.366 6.598 12.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.636 5.169 13.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.752 4.093 12.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -14.292 4.354 13.931 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.374 4.827 15.410 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.367 3.994 16.065 1.00 0.00 C ATOM 1632 C PRO A 101 -7.841 2.558 16.220 1.00 0.00 C ATOM 1633 O PRO A 101 -7.046 1.645 16.446 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.210 4.653 17.431 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.537 5.270 17.704 1.00 0.00 C ATOM 1636 CD PRO A 101 -9.082 5.696 16.371 1.00 0.00 C ATOM 0 HA PRO A 101 -6.439 3.935 15.497 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.947 3.922 18.196 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.419 5.402 17.421 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.205 4.558 18.188 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.439 6.123 18.375 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.162 5.557 16.317 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.886 6.751 16.177 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.148 2.373 16.094 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.755 1.051 16.220 1.00 0.00 C ATOM 1646 C GLU A 102 -9.577 0.231 14.945 1.00 0.00 C ATOM 1647 O GLU A 102 -9.912 -0.953 14.905 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.238 1.183 16.542 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.994 1.959 15.489 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.481 2.042 15.771 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -13.904 3.001 16.450 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.223 1.149 15.311 1.00 0.00 O ATOM 0 H GLU A 102 -9.812 3.123 15.904 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.250 0.530 17.033 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.675 0.189 16.639 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.354 1.678 17.506 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.585 2.967 15.424 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.839 1.489 14.518 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.046 0.866 13.905 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.831 0.197 12.626 1.00 0.00 C ATOM 1661 C ASN A 103 -7.719 -0.844 12.719 1.00 0.00 C ATOM 1662 O ASN A 103 -6.797 -0.712 13.525 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.477 1.223 11.549 1.00 0.00 C ATOM 1664 CG ASN A 103 -9.637 2.134 11.194 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -9.436 3.283 10.805 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -10.857 1.627 11.318 1.00 0.00 N ATOM 0 H ASN A 103 -8.756 1.844 13.923 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.757 -0.313 12.361 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.639 1.829 11.894 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.145 0.700 10.652 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.672 2.196 11.087 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.980 0.669 11.644 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.816 -1.880 11.888 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.821 -2.932 11.857 1.00 0.00 C ATOM 1675 C GLU A 104 -5.457 -2.368 11.482 1.00 0.00 C ATOM 1676 O GLU A 104 -5.355 -1.237 11.004 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.240 -4.005 10.862 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.771 -5.261 11.526 1.00 0.00 C ATOM 1679 CD GLU A 104 -9.152 -5.069 12.120 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -9.240 -4.681 13.303 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -10.145 -5.307 11.401 1.00 0.00 O ATOM 0 H GLU A 104 -8.582 -2.007 11.226 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.746 -3.375 12.850 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.006 -3.599 10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.386 -4.266 10.237 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.804 -6.068 10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.082 -5.571 12.312 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.414 -3.161 11.689 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.057 -2.725 11.387 1.00 0.00 C ATOM 1690 C ARG A 105 -2.312 -3.763 10.554 1.00 0.00 C ATOM 1691 O ARG A 105 -2.748 -4.905 10.429 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.292 -2.470 12.693 1.00 0.00 C ATOM 1693 CG ARG A 105 -0.926 -1.827 12.503 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.045 -0.318 12.468 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.573 0.200 13.724 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.723 1.495 13.988 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.387 2.403 13.081 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.210 1.883 15.159 1.00 0.00 N ATOM 0 H ARG A 105 -4.481 -4.107 12.064 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.120 -1.804 10.807 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.896 -1.829 13.335 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.165 -3.417 13.217 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.262 -2.126 13.314 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.477 -2.183 11.576 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.067 0.122 12.273 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.697 -0.021 11.647 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.844 -0.471 14.443 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.013 2.109 12.179 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.503 3.396 13.286 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.470 1.188 15.859 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.324 2.876 15.360 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.214 -3.325 9.952 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.339 -4.183 9.165 1.00 0.00 C ATOM 1714 C TYR A 106 0.900 -3.387 8.778 1.00 0.00 C ATOM 1715 O TYR A 106 1.103 -3.032 7.619 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.057 -4.736 7.931 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.275 -5.805 7.200 1.00 0.00 C ATOM 1718 CD1 TYR A 106 0.640 -5.474 6.209 1.00 0.00 C ATOM 1719 CD2 TYR A 106 -0.452 -7.150 7.503 1.00 0.00 C ATOM 1720 CE1 TYR A 106 1.356 -6.449 5.542 1.00 0.00 C ATOM 1721 CE2 TYR A 106 0.261 -8.132 6.841 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.163 -7.776 5.861 1.00 0.00 C ATOM 1723 OH TYR A 106 1.874 -8.750 5.199 1.00 0.00 O ATOM 0 H TYR A 106 -0.903 -2.355 9.997 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.045 -5.046 9.762 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.020 -5.147 8.235 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.264 -3.916 7.244 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.795 -4.436 5.955 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.159 -7.433 8.269 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.064 -6.173 4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.112 -9.172 7.090 1.00 0.00 H new ATOM 0 HH TYR A 106 1.621 -9.632 5.544 1.00 0.00 H new ATOM 1733 N THR A 107 1.712 -3.091 9.788 1.00 0.00 N ATOM 1734 CA THR A 107 2.924 -2.308 9.605 1.00 0.00 C ATOM 1735 C THR A 107 4.127 -3.189 9.285 1.00 0.00 C ATOM 1736 O THR A 107 4.694 -3.831 10.169 1.00 0.00 O ATOM 1737 CB THR A 107 3.224 -1.479 10.867 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.050 -0.765 11.274 1.00 0.00 O ATOM 1739 CG2 THR A 107 4.351 -0.496 10.616 1.00 0.00 C ATOM 0 H THR A 107 1.548 -3.386 10.750 1.00 0.00 H new ATOM 0 HA THR A 107 2.751 -1.644 8.758 1.00 0.00 H new ATOM 0 HB THR A 107 3.529 -2.164 11.658 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.248 -0.241 12.078 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.543 0.077 11.523 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.252 -1.040 10.333 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.069 0.183 9.811 1.00 0.00 H new ATOM 1747 N LEU A 108 4.513 -3.208 8.014 1.00 0.00 N ATOM 1748 CA LEU A 108 5.651 -4.002 7.570 1.00 0.00 C ATOM 1749 C LEU A 108 6.957 -3.231 7.728 1.00 0.00 C ATOM 1750 O LEU A 108 7.380 -2.515 6.820 1.00 0.00 O ATOM 1751 CB LEU A 108 5.470 -4.419 6.108 1.00 0.00 C ATOM 1752 CG LEU A 108 6.685 -5.096 5.466 1.00 0.00 C ATOM 1753 CD1 LEU A 108 7.112 -6.311 6.273 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.379 -5.489 4.030 1.00 0.00 C ATOM 0 H LEU A 108 4.053 -2.681 7.272 1.00 0.00 H new ATOM 0 HA LEU A 108 5.700 -4.893 8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.620 -5.098 6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.216 -3.535 5.524 1.00 0.00 H new ATOM 0 HG LEU A 108 7.510 -4.384 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.976 -6.777 5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.375 -6.002 7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.291 -7.027 6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.253 -5.968 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.538 -6.182 4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.126 -4.598 3.455 1.00 0.00 H new ATOM 1766 N HIS A 109 7.588 -3.374 8.887 1.00 0.00 N ATOM 1767 CA HIS A 109 8.851 -2.699 9.151 1.00 0.00 C ATOM 1768 C HIS A 109 9.985 -3.377 8.393 1.00 0.00 C ATOM 1769 O HIS A 109 9.992 -4.597 8.223 1.00 0.00 O ATOM 1770 CB HIS A 109 9.149 -2.676 10.644 1.00 0.00 C ATOM 1771 CG HIS A 109 8.523 -1.526 11.365 1.00 0.00 C ATOM 1772 ND1 HIS A 109 9.217 -0.387 11.714 1.00 0.00 N ATOM 1773 CD2 HIS A 109 7.258 -1.345 11.807 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.405 0.447 12.341 1.00 0.00 C ATOM 1775 NE2 HIS A 109 7.210 -0.111 12.409 1.00 0.00 N ATOM 0 H HIS A 109 7.246 -3.950 9.657 1.00 0.00 H new ATOM 0 HA HIS A 109 8.767 -1.669 8.803 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.798 -3.607 11.090 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.229 -2.640 10.789 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.438 -2.041 11.706 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.673 1.418 12.731 1.00 0.00 H new ATOM 0 HE2 HIS A 109 6.385 0.307 12.839 1.00 0.00 H new ATOM 1784 N LEU A 110 10.947 -2.575 7.959 1.00 0.00 N ATOM 1785 CA LEU A 110 12.082 -3.072 7.191 1.00 0.00 C ATOM 1786 C LEU A 110 13.344 -2.273 7.494 1.00 0.00 C ATOM 1787 O LEU A 110 13.491 -1.138 7.041 1.00 0.00 O ATOM 1788 CB LEU A 110 11.782 -2.984 5.690 1.00 0.00 C ATOM 1789 CG LEU A 110 10.580 -3.803 5.209 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.277 -3.492 3.751 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.832 -5.291 5.394 1.00 0.00 C ATOM 0 H LEU A 110 10.964 -1.569 8.127 1.00 0.00 H new ATOM 0 HA LEU A 110 12.247 -4.111 7.476 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.614 -1.939 5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.665 -3.310 5.141 1.00 0.00 H new ATOM 0 HG LEU A 110 9.714 -3.527 5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.421 -4.081 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.049 -2.431 3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.144 -3.740 3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.965 -5.853 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.710 -5.586 4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.001 -5.503 6.450 1.00 0.00 H new ATOM 1803 N ASN A 111 14.250 -2.864 8.266 1.00 0.00 N ATOM 1804 CA ASN A 111 15.505 -2.208 8.597 1.00 0.00 C ATOM 1805 C ASN A 111 16.466 -2.349 7.426 1.00 0.00 C ATOM 1806 O ASN A 111 17.446 -3.091 7.490 1.00 0.00 O ATOM 1807 CB ASN A 111 16.111 -2.811 9.866 1.00 0.00 C ATOM 1808 CG ASN A 111 17.409 -2.137 10.268 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.609 -0.949 10.015 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.300 -2.895 10.896 1.00 0.00 N ATOM 0 H ASN A 111 14.137 -3.793 8.672 1.00 0.00 H new ATOM 0 HA ASN A 111 15.319 -1.151 8.786 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.394 -2.727 10.682 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.291 -3.874 9.709 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.192 -2.497 11.189 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.092 -3.876 11.085 1.00 0.00 H new ATOM 1817 N VAL A 112 16.157 -1.636 6.349 1.00 0.00 N ATOM 1818 CA VAL A 112 16.955 -1.679 5.131 1.00 0.00 C ATOM 1819 C VAL A 112 18.443 -1.530 5.437 1.00 0.00 C ATOM 1820 O VAL A 112 18.881 -0.501 5.952 1.00 0.00 O ATOM 1821 CB VAL A 112 16.533 -0.574 4.143 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.878 -0.977 2.720 1.00 0.00 C ATOM 1823 CG2 VAL A 112 15.048 -0.271 4.267 1.00 0.00 C ATOM 0 H VAL A 112 15.350 -1.015 6.296 1.00 0.00 H new ATOM 0 HA VAL A 112 16.778 -2.653 4.675 1.00 0.00 H new ATOM 0 HB VAL A 112 17.084 0.333 4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.574 -0.186 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.953 -1.135 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.355 -1.899 2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.776 0.512 3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.474 -1.172 4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.828 0.064 5.281 1.00 0.00 H new ATOM 1833 N LYS A 113 19.214 -2.564 5.115 1.00 0.00 N ATOM 1834 CA LYS A 113 20.651 -2.551 5.353 1.00 0.00 C ATOM 1835 C LYS A 113 21.367 -1.688 4.318 1.00 0.00 C ATOM 1836 O LYS A 113 21.716 -2.220 3.244 1.00 0.00 O ATOM 1837 CB LYS A 113 21.205 -3.976 5.319 1.00 0.00 C ATOM 1838 CG LYS A 113 20.573 -4.901 6.348 1.00 0.00 C ATOM 1839 CD LYS A 113 20.878 -4.456 7.772 1.00 0.00 C ATOM 1840 CE LYS A 113 22.361 -4.568 8.090 1.00 0.00 C ATOM 1841 NZ LYS A 113 22.854 -5.966 7.956 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.573 -0.486 4.591 1.00 0.00 O ATOM 0 H LYS A 113 18.866 -3.422 4.688 1.00 0.00 H new ATOM 0 HA LYS A 113 20.828 -2.123 6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 113 21.050 -4.393 4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.282 -3.942 5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.494 -4.927 6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.940 -5.916 6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 113 20.553 -3.424 7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 113 20.308 -5.065 8.474 1.00 0.00 H new ATOM 0 HE2 LYS A 113 22.926 -3.918 7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 113 22.542 -4.215 9.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 23.783 -6.052 8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 22.181 -6.616 8.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 22.943 -6.207 6.948 1.00 0.00 H new