USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 820 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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.572! C(o=-0.57!,f=-4.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 43 GLN : amide:sc=-7.16e-05 K(o=-7.2e-05,f=-0.8) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.525 USER MOD Single : A 50 TYR OH : rot -15:sc= -0.358 USER MOD Single : A 52 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.655) USER MOD Single : A 55 ASN : amide:sc= 0.262 K(o=0.26,f=-2.2) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.661 X(o=-0.66,f=-0.63) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.523 K(o=-0.52,f=-3.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 111:sc= -0.456 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0704 X(o=-0.07,f=-0.07) USER MOD Single : A 81 CYS SG : rot -120:sc= -1.37 USER MOD Single : A 85 ASN : amide:sc= -2.18! C(o=-2.2!,f=-9.8!) USER MOD Single : A 86 CYS SG : rot 97:sc= 0.369 USER MOD Single : A 91 HIS : no HE2:sc= -2.35 X(o=-2.3,f=-1.9) USER MOD Single : A 92 THR OG1 : rot 94:sc= 1.26 USER MOD Single : A 93 TYR OH : rot 62:sc= 0.44 USER MOD Single : A 101 ASN : amide:sc= -0.982 K(o=-0.98,f=-2.5!) USER MOD Single : A 104 CYS SG : rot 62:sc= 0.156 USER MOD Single : A 106 GLN : amide:sc= -0.587 X(o=-0.59,f=-0.8) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A 13 9.092 1.698 4.892 1.00 0.00 N ATOM 144 CA LEU A 13 8.318 2.546 3.992 1.00 0.00 C ATOM 145 C LEU A 13 9.211 3.583 3.318 1.00 0.00 C ATOM 146 O LEU A 13 10.284 3.914 3.821 1.00 0.00 O ATOM 147 CB LEU A 13 7.193 3.245 4.758 1.00 0.00 C ATOM 148 CG LEU A 13 7.619 4.387 5.680 1.00 0.00 C ATOM 149 CD1 LEU A 13 7.755 5.683 4.897 1.00 0.00 C ATOM 150 CD2 LEU A 13 6.624 4.553 6.819 1.00 0.00 C ATOM 0 HA LEU A 13 7.883 1.911 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.477 3.636 4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.669 2.499 5.355 1.00 0.00 H new ATOM 0 HG LEU A 13 8.591 4.140 6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.059 6.485 5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.506 5.560 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.797 5.935 4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.944 5.371 7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.638 4.777 6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.576 3.631 7.398 1.00 0.00 H new ATOM 162 N LYS A 14 8.759 4.094 2.178 1.00 0.00 N ATOM 163 CA LYS A 14 9.514 5.097 1.436 1.00 0.00 C ATOM 164 C LYS A 14 8.590 5.935 0.559 1.00 0.00 C ATOM 165 O LYS A 14 7.674 5.424 -0.086 1.00 0.00 O ATOM 166 CB LYS A 14 10.583 4.424 0.572 1.00 0.00 C ATOM 167 CG LYS A 14 11.645 5.382 0.063 1.00 0.00 C ATOM 168 CD LYS A 14 12.583 4.704 -0.922 1.00 0.00 C ATOM 169 CE LYS A 14 13.292 5.718 -1.806 1.00 0.00 C ATOM 170 NZ LYS A 14 14.291 6.517 -1.044 1.00 0.00 N ATOM 0 H LYS A 14 7.873 3.830 1.747 1.00 0.00 H new ATOM 0 HA LYS A 14 9.999 5.756 2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.064 3.636 1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.101 3.944 -0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.166 6.235 -0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.219 5.771 0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.321 4.116 -0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.019 4.009 -1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.790 5.200 -2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.557 6.387 -2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.752 7.196 -1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.812 7.032 -0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.008 5.881 -0.639 1.00 0.00 H new ATOM 184 N PRO A 15 8.834 7.254 0.532 1.00 0.00 N ATOM 185 CA PRO A 15 8.035 8.190 -0.265 1.00 0.00 C ATOM 186 C PRO A 15 8.262 8.018 -1.763 1.00 0.00 C ATOM 187 O PRO A 15 9.313 7.554 -2.206 1.00 0.00 O ATOM 188 CB PRO A 15 8.533 9.562 0.197 1.00 0.00 C ATOM 189 CG PRO A 15 9.917 9.317 0.690 1.00 0.00 C ATOM 190 CD PRO A 15 9.909 7.932 1.275 1.00 0.00 C ATOM 0 HA PRO A 15 6.965 8.038 -0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.526 10.282 -0.622 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.899 9.969 0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.640 9.393 -0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.201 10.056 1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.868 7.433 1.139 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.708 7.949 2.346 1.00 0.00 H new ATOM 198 N PRO A 16 7.255 8.400 -2.562 1.00 0.00 N ATOM 199 CA PRO A 16 7.322 8.297 -4.023 1.00 0.00 C ATOM 200 C PRO A 16 8.310 9.289 -4.629 1.00 0.00 C ATOM 201 O PRO A 16 8.598 10.329 -4.040 1.00 0.00 O ATOM 202 CB PRO A 16 5.895 8.625 -4.467 1.00 0.00 C ATOM 203 CG PRO A 16 5.339 9.464 -3.369 1.00 0.00 C ATOM 204 CD PRO A 16 5.974 8.961 -2.102 1.00 0.00 C ATOM 0 HA PRO A 16 7.669 7.316 -4.347 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.889 9.161 -5.416 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.307 7.719 -4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.568 10.518 -3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.253 9.377 -3.323 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.123 9.765 -1.381 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.356 8.206 -1.615 1.00 0.00 H new ATOM 212 N GLU A 17 8.824 8.958 -5.810 1.00 0.00 N ATOM 213 CA GLU A 17 9.779 9.821 -6.494 1.00 0.00 C ATOM 214 C GLU A 17 9.071 10.734 -7.491 1.00 0.00 C ATOM 215 O GLU A 17 9.419 11.906 -7.629 1.00 0.00 O ATOM 216 CB GLU A 17 10.834 8.979 -7.217 1.00 0.00 C ATOM 217 CG GLU A 17 10.246 7.968 -8.186 1.00 0.00 C ATOM 218 CD GLU A 17 11.309 7.239 -8.985 1.00 0.00 C ATOM 219 OE1 GLU A 17 12.103 7.915 -9.672 1.00 0.00 O ATOM 220 OE2 GLU A 17 11.346 5.992 -8.922 1.00 0.00 O ATOM 0 H GLU A 17 8.595 8.100 -6.312 1.00 0.00 H new ATOM 0 HA GLU A 17 10.270 10.442 -5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.506 9.643 -7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.436 8.452 -6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.652 7.242 -7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.568 8.478 -8.871 1.00 0.00 H new ATOM 227 N GLN A 18 8.077 10.186 -8.183 1.00 0.00 N ATOM 228 CA GLN A 18 7.321 10.951 -9.168 1.00 0.00 C ATOM 229 C GLN A 18 5.998 10.265 -9.491 1.00 0.00 C ATOM 230 O GLN A 18 5.920 9.038 -9.539 1.00 0.00 O ATOM 231 CB GLN A 18 8.142 11.128 -10.447 1.00 0.00 C ATOM 232 CG GLN A 18 8.708 9.827 -10.992 1.00 0.00 C ATOM 233 CD GLN A 18 8.890 9.854 -12.496 1.00 0.00 C ATOM 234 OE1 GLN A 18 9.692 10.627 -13.022 1.00 0.00 O ATOM 235 NE2 GLN A 18 8.145 9.009 -13.199 1.00 0.00 N ATOM 0 H GLN A 18 7.777 9.217 -8.080 1.00 0.00 H new ATOM 0 HA GLN A 18 7.107 11.932 -8.743 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.515 11.590 -11.210 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.963 11.817 -10.249 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.668 9.626 -10.517 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.043 9.006 -10.725 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.493 8.386 -12.722 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.225 8.983 -14.216 1.00 0.00 H new ATOM 244 N GLU A 19 4.960 11.066 -9.710 1.00 0.00 N ATOM 245 CA GLU A 19 3.639 10.534 -10.026 1.00 0.00 C ATOM 246 C GLU A 19 3.737 9.405 -11.048 1.00 0.00 C ATOM 247 O GLU A 19 4.234 9.600 -12.158 1.00 0.00 O ATOM 248 CB GLU A 19 2.733 11.645 -10.562 1.00 0.00 C ATOM 249 CG GLU A 19 1.255 11.295 -10.527 1.00 0.00 C ATOM 250 CD GLU A 19 0.364 12.500 -10.758 1.00 0.00 C ATOM 251 OE1 GLU A 19 0.302 13.371 -9.866 1.00 0.00 O ATOM 252 OE2 GLU A 19 -0.271 12.571 -11.831 1.00 0.00 O ATOM 0 H GLU A 19 5.008 12.084 -9.675 1.00 0.00 H new ATOM 0 HA GLU A 19 3.208 10.133 -9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.897 12.550 -9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.020 11.872 -11.589 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.046 10.542 -11.287 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.014 10.849 -9.562 1.00 0.00 H new ATOM 259 N ILE A 20 3.261 8.226 -10.665 1.00 0.00 N ATOM 260 CA ILE A 20 3.295 7.066 -11.547 1.00 0.00 C ATOM 261 C ILE A 20 2.017 6.967 -12.374 1.00 0.00 C ATOM 262 O ILE A 20 1.153 7.841 -12.306 1.00 0.00 O ATOM 263 CB ILE A 20 3.481 5.760 -10.753 1.00 0.00 C ATOM 264 CG1 ILE A 20 2.361 5.599 -9.723 1.00 0.00 C ATOM 265 CG2 ILE A 20 4.841 5.743 -10.072 1.00 0.00 C ATOM 266 CD1 ILE A 20 2.016 4.157 -9.425 1.00 0.00 C ATOM 0 H ILE A 20 2.847 8.048 -9.750 1.00 0.00 H new ATOM 0 HA ILE A 20 4.147 7.201 -12.213 1.00 0.00 H new ATOM 0 HB ILE A 20 3.434 4.921 -11.447 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.657 6.092 -8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.469 6.110 -10.085 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.957 4.813 -9.515 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.626 5.815 -10.825 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.916 6.588 -9.388 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.215 4.120 -8.687 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.689 3.664 -10.341 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.895 3.646 -9.032 1.00 0.00 H new ATOM 278 N GLU A 21 1.905 5.896 -13.154 1.00 0.00 N ATOM 279 CA GLU A 21 0.732 5.684 -13.994 1.00 0.00 C ATOM 280 C GLU A 21 -0.024 4.429 -13.565 1.00 0.00 C ATOM 281 O GLU A 21 0.563 3.356 -13.426 1.00 0.00 O ATOM 282 CB GLU A 21 1.143 5.566 -15.463 1.00 0.00 C ATOM 283 CG GLU A 21 1.851 4.264 -15.795 1.00 0.00 C ATOM 284 CD GLU A 21 2.693 4.361 -17.052 1.00 0.00 C ATOM 285 OE1 GLU A 21 3.821 4.892 -16.970 1.00 0.00 O ATOM 286 OE2 GLU A 21 2.226 3.908 -18.117 1.00 0.00 O ATOM 0 H GLU A 21 2.611 5.163 -13.222 1.00 0.00 H new ATOM 0 HA GLU A 21 0.073 6.544 -13.876 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.255 5.656 -16.088 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.797 6.400 -15.716 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.487 3.977 -14.958 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.111 3.474 -15.918 1.00 0.00 H new ATOM 293 N ILE A 22 -1.328 4.574 -13.356 1.00 0.00 N ATOM 294 CA ILE A 22 -2.164 3.454 -12.943 1.00 0.00 C ATOM 295 C ILE A 22 -3.337 3.262 -13.899 1.00 0.00 C ATOM 296 O ILE A 22 -3.902 4.231 -14.407 1.00 0.00 O ATOM 297 CB ILE A 22 -2.707 3.653 -11.516 1.00 0.00 C ATOM 298 CG1 ILE A 22 -1.552 3.777 -10.520 1.00 0.00 C ATOM 299 CG2 ILE A 22 -3.622 2.500 -11.132 1.00 0.00 C ATOM 300 CD1 ILE A 22 -0.710 2.525 -10.412 1.00 0.00 C ATOM 0 H ILE A 22 -1.828 5.456 -13.466 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.533 2.565 -12.962 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.286 4.576 -11.489 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.914 4.609 -10.817 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.955 4.020 -9.537 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.998 2.655 -10.121 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.460 2.453 -11.827 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.065 1.564 -11.172 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.089 2.685 -9.688 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.334 1.694 -10.085 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.277 2.292 -11.385 1.00 0.00 H new ATOM 312 N ASP A 23 -3.699 2.006 -14.137 1.00 0.00 N ATOM 313 CA ASP A 23 -4.808 1.687 -15.030 1.00 0.00 C ATOM 314 C ASP A 23 -5.964 1.061 -14.257 1.00 0.00 C ATOM 315 O ASP A 23 -5.812 0.008 -13.637 1.00 0.00 O ATOM 316 CB ASP A 23 -4.343 0.737 -16.134 1.00 0.00 C ATOM 317 CG ASP A 23 -3.707 1.470 -17.299 1.00 0.00 C ATOM 318 OD1 ASP A 23 -4.097 2.628 -17.554 1.00 0.00 O ATOM 319 OD2 ASP A 23 -2.819 0.886 -17.955 1.00 0.00 O ATOM 0 H ASP A 23 -3.242 1.193 -13.725 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.157 2.615 -15.483 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.627 0.027 -15.720 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.194 0.158 -16.494 1.00 0.00 H new ATOM 324 N ARG A 24 -7.120 1.716 -14.298 1.00 0.00 N ATOM 325 CA ARG A 24 -8.302 1.225 -13.599 1.00 0.00 C ATOM 326 C ARG A 24 -8.883 0.004 -14.307 1.00 0.00 C ATOM 327 O ARG A 24 -9.896 -0.549 -13.880 1.00 0.00 O ATOM 328 CB ARG A 24 -9.360 2.326 -13.506 1.00 0.00 C ATOM 329 CG ARG A 24 -8.966 3.473 -12.590 1.00 0.00 C ATOM 330 CD ARG A 24 -7.908 4.359 -13.229 1.00 0.00 C ATOM 331 NE ARG A 24 -7.756 5.627 -12.521 1.00 0.00 N ATOM 332 CZ ARG A 24 -7.078 6.662 -13.005 1.00 0.00 C ATOM 333 NH1 ARG A 24 -6.494 6.579 -14.192 1.00 0.00 N ATOM 334 NH2 ARG A 24 -6.984 7.783 -12.301 1.00 0.00 N ATOM 0 H ARG A 24 -7.263 2.588 -14.808 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.003 0.932 -12.592 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.552 2.719 -14.504 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.294 1.892 -13.149 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.847 4.070 -12.353 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.588 3.075 -11.648 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.953 3.833 -13.240 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.177 4.553 -14.267 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.194 5.723 -11.605 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.565 5.719 -14.736 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.974 7.375 -14.561 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.432 7.851 -11.387 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.463 8.577 -12.673 1.00 0.00 H new ATOM 348 N ASN A 25 -8.235 -0.410 -15.391 1.00 0.00 N ATOM 349 CA ASN A 25 -8.689 -1.564 -16.159 1.00 0.00 C ATOM 350 C ASN A 25 -7.550 -2.556 -16.373 1.00 0.00 C ATOM 351 O ASN A 25 -7.722 -3.581 -17.033 1.00 0.00 O ATOM 352 CB ASN A 25 -9.250 -1.115 -17.509 1.00 0.00 C ATOM 353 CG ASN A 25 -10.507 -0.279 -17.364 1.00 0.00 C ATOM 354 OD1 ASN A 25 -11.585 -0.803 -17.084 1.00 0.00 O ATOM 355 ND2 ASN A 25 -10.373 1.028 -17.555 1.00 0.00 N ATOM 0 H ASN A 25 -7.394 0.036 -15.757 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.477 -2.060 -15.593 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.493 -0.538 -18.040 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.469 -1.992 -18.118 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.184 1.641 -17.471 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.459 1.419 -17.786 1.00 0.00 H new ATOM 362 N ILE A 26 -6.387 -2.244 -15.811 1.00 0.00 N ATOM 363 CA ILE A 26 -5.220 -3.109 -15.939 1.00 0.00 C ATOM 364 C ILE A 26 -4.457 -3.200 -14.622 1.00 0.00 C ATOM 365 O ILE A 26 -4.176 -2.185 -13.985 1.00 0.00 O ATOM 366 CB ILE A 26 -4.266 -2.608 -17.039 1.00 0.00 C ATOM 367 CG1 ILE A 26 -4.960 -2.646 -18.403 1.00 0.00 C ATOM 368 CG2 ILE A 26 -2.997 -3.446 -17.062 1.00 0.00 C ATOM 369 CD1 ILE A 26 -5.829 -1.437 -18.672 1.00 0.00 C ATOM 0 H ILE A 26 -6.228 -1.399 -15.263 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.588 -4.098 -16.212 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.993 -1.576 -16.819 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.204 -2.721 -19.184 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.573 -3.545 -18.465 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.333 -3.079 -17.845 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.495 -3.373 -16.097 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.252 -4.487 -17.261 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.289 -1.531 -19.656 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.608 -1.372 -17.912 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.217 -0.535 -18.643 1.00 0.00 H new ATOM 381 N ILE A 27 -4.122 -4.422 -14.223 1.00 0.00 N ATOM 382 CA ILE A 27 -3.388 -4.646 -12.983 1.00 0.00 C ATOM 383 C ILE A 27 -1.980 -5.162 -13.264 1.00 0.00 C ATOM 384 O ILE A 27 -1.796 -6.328 -13.613 1.00 0.00 O ATOM 385 CB ILE A 27 -4.118 -5.647 -12.069 1.00 0.00 C ATOM 386 CG1 ILE A 27 -5.556 -5.189 -11.820 1.00 0.00 C ATOM 387 CG2 ILE A 27 -3.370 -5.805 -10.754 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.364 -6.160 -10.987 1.00 0.00 C ATOM 0 H ILE A 27 -4.347 -5.272 -14.740 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.325 -3.684 -12.475 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.148 -6.617 -12.566 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.539 -4.221 -11.320 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.054 -5.044 -12.779 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.898 -6.516 -10.118 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.363 -6.172 -10.950 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.313 -4.840 -10.250 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.373 -5.771 -10.851 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.412 -7.123 -11.495 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.890 -6.287 -10.014 1.00 0.00 H new ATOM 400 N GLN A 28 -0.993 -4.287 -13.107 1.00 0.00 N ATOM 401 CA GLN A 28 0.398 -4.656 -13.342 1.00 0.00 C ATOM 402 C GLN A 28 1.049 -5.172 -12.063 1.00 0.00 C ATOM 403 O GLN A 28 0.628 -4.826 -10.959 1.00 0.00 O ATOM 404 CB GLN A 28 1.182 -3.458 -13.880 1.00 0.00 C ATOM 405 CG GLN A 28 0.346 -2.516 -14.732 1.00 0.00 C ATOM 406 CD GLN A 28 -0.411 -1.497 -13.904 1.00 0.00 C ATOM 407 OE1 GLN A 28 -0.443 -1.578 -12.675 1.00 0.00 O ATOM 408 NE2 GLN A 28 -1.026 -0.529 -14.573 1.00 0.00 N ATOM 0 H GLN A 28 -1.130 -3.318 -12.818 1.00 0.00 H new ATOM 0 HA GLN A 28 0.415 -5.455 -14.084 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.600 -2.901 -13.041 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.022 -3.821 -14.472 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.996 -1.996 -15.436 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.362 -3.098 -15.322 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.973 -0.500 -15.591 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.551 0.186 -14.069 1.00 0.00 H new ATOM 417 N GLU A 29 2.077 -6.000 -12.219 1.00 0.00 N ATOM 418 CA GLU A 29 2.784 -6.564 -11.075 1.00 0.00 C ATOM 419 C GLU A 29 3.147 -5.475 -10.070 1.00 0.00 C ATOM 420 O GLU A 29 3.213 -5.725 -8.867 1.00 0.00 O ATOM 421 CB GLU A 29 4.050 -7.289 -11.537 1.00 0.00 C ATOM 422 CG GLU A 29 5.134 -6.356 -12.047 1.00 0.00 C ATOM 423 CD GLU A 29 4.908 -5.927 -13.484 1.00 0.00 C ATOM 424 OE1 GLU A 29 4.545 -6.791 -14.309 1.00 0.00 O ATOM 425 OE2 GLU A 29 5.093 -4.729 -13.783 1.00 0.00 O ATOM 0 H GLU A 29 2.439 -6.295 -13.126 1.00 0.00 H new ATOM 0 HA GLU A 29 2.122 -7.279 -10.587 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.447 -7.874 -10.707 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.788 -7.993 -12.327 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.176 -5.472 -11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.101 -6.852 -11.968 1.00 0.00 H new ATOM 432 N GLU A 30 3.381 -4.267 -10.573 1.00 0.00 N ATOM 433 CA GLU A 30 3.738 -3.141 -9.718 1.00 0.00 C ATOM 434 C GLU A 30 2.734 -2.981 -8.580 1.00 0.00 C ATOM 435 O GLU A 30 3.104 -2.645 -7.456 1.00 0.00 O ATOM 436 CB GLU A 30 3.805 -1.851 -10.539 1.00 0.00 C ATOM 437 CG GLU A 30 5.180 -1.572 -11.123 1.00 0.00 C ATOM 438 CD GLU A 30 5.510 -2.475 -12.295 1.00 0.00 C ATOM 439 OE1 GLU A 30 4.952 -2.253 -13.390 1.00 0.00 O ATOM 440 OE2 GLU A 30 6.325 -3.404 -12.118 1.00 0.00 O ATOM 0 H GLU A 30 3.330 -4.043 -11.567 1.00 0.00 H new ATOM 0 HA GLU A 30 4.719 -3.341 -9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.080 -1.909 -11.351 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.511 -1.013 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.229 -0.532 -11.445 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.934 -1.701 -10.346 1.00 0.00 H new ATOM 447 N GLU A 31 1.462 -3.224 -8.882 1.00 0.00 N ATOM 448 CA GLU A 31 0.405 -3.106 -7.885 1.00 0.00 C ATOM 449 C GLU A 31 0.231 -4.414 -7.119 1.00 0.00 C ATOM 450 O GLU A 31 -0.181 -4.417 -5.959 1.00 0.00 O ATOM 451 CB GLU A 31 -0.915 -2.714 -8.553 1.00 0.00 C ATOM 452 CG GLU A 31 -0.972 -1.256 -8.978 1.00 0.00 C ATOM 453 CD GLU A 31 -2.345 -0.847 -9.477 1.00 0.00 C ATOM 454 OE1 GLU A 31 -2.733 -1.294 -10.577 1.00 0.00 O ATOM 455 OE2 GLU A 31 -3.030 -0.082 -8.767 1.00 0.00 O ATOM 0 H GLU A 31 1.139 -3.503 -9.808 1.00 0.00 H new ATOM 0 HA GLU A 31 0.692 -2.327 -7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.071 -3.345 -9.428 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.735 -2.915 -7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.693 -0.624 -8.135 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.237 -1.081 -9.764 1.00 0.00 H new ATOM 462 N LYS A 32 0.547 -5.524 -7.776 1.00 0.00 N ATOM 463 CA LYS A 32 0.428 -6.840 -7.159 1.00 0.00 C ATOM 464 C LYS A 32 1.490 -7.034 -6.082 1.00 0.00 C ATOM 465 O LYS A 32 1.333 -7.864 -5.186 1.00 0.00 O ATOM 466 CB LYS A 32 0.554 -7.936 -8.219 1.00 0.00 C ATOM 467 CG LYS A 32 -0.549 -7.904 -9.262 1.00 0.00 C ATOM 468 CD LYS A 32 -0.274 -8.880 -10.395 1.00 0.00 C ATOM 469 CE LYS A 32 -1.483 -9.032 -11.305 1.00 0.00 C ATOM 470 NZ LYS A 32 -1.395 -10.260 -12.142 1.00 0.00 N ATOM 0 H LYS A 32 0.888 -5.539 -8.737 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.554 -6.907 -6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.518 -7.837 -8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.548 -8.908 -7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.502 -8.149 -8.793 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.642 -6.895 -9.664 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.579 -8.532 -10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.004 -9.852 -9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.390 -9.068 -10.701 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.564 -8.157 -11.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.237 -10.328 -12.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.543 -10.214 -12.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.343 -11.097 -11.526 1.00 0.00 H new ATOM 484 N GLN A 33 2.568 -6.263 -6.175 1.00 0.00 N ATOM 485 CA GLN A 33 3.655 -6.351 -5.207 1.00 0.00 C ATOM 486 C GLN A 33 3.268 -5.682 -3.891 1.00 0.00 C ATOM 487 O GLN A 33 3.848 -5.968 -2.844 1.00 0.00 O ATOM 488 CB GLN A 33 4.921 -5.702 -5.769 1.00 0.00 C ATOM 489 CG GLN A 33 5.639 -6.560 -6.798 1.00 0.00 C ATOM 490 CD GLN A 33 6.616 -7.533 -6.168 1.00 0.00 C ATOM 491 OE1 GLN A 33 6.217 -8.482 -5.493 1.00 0.00 O ATOM 492 NE2 GLN A 33 7.906 -7.301 -6.385 1.00 0.00 N ATOM 0 H GLN A 33 2.712 -5.571 -6.910 1.00 0.00 H new ATOM 0 HA GLN A 33 3.851 -7.406 -5.014 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.658 -4.747 -6.224 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.604 -5.486 -4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.903 -7.115 -7.379 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.174 -5.914 -7.494 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.192 -6.502 -6.951 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.610 -7.922 -5.986 1.00 0.00 H new ATOM 501 N ALA A 34 2.285 -4.790 -3.954 1.00 0.00 N ATOM 502 CA ALA A 34 1.820 -4.082 -2.767 1.00 0.00 C ATOM 503 C ALA A 34 0.464 -4.609 -2.311 1.00 0.00 C ATOM 504 O ALA A 34 0.110 -4.502 -1.136 1.00 0.00 O ATOM 505 CB ALA A 34 1.743 -2.588 -3.041 1.00 0.00 C ATOM 0 H ALA A 34 1.795 -4.540 -4.813 1.00 0.00 H new ATOM 0 HA ALA A 34 2.537 -4.256 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.394 -2.072 -2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.731 -2.217 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.048 -2.404 -3.860 1.00 0.00 H new ATOM 511 N ILE A 35 -0.291 -5.176 -3.246 1.00 0.00 N ATOM 512 CA ILE A 35 -1.608 -5.719 -2.938 1.00 0.00 C ATOM 513 C ILE A 35 -1.715 -7.178 -3.366 1.00 0.00 C ATOM 514 O ILE A 35 -2.702 -7.605 -3.966 1.00 0.00 O ATOM 515 CB ILE A 35 -2.725 -4.911 -3.625 1.00 0.00 C ATOM 516 CG1 ILE A 35 -2.415 -3.414 -3.560 1.00 0.00 C ATOM 517 CG2 ILE A 35 -4.069 -5.207 -2.977 1.00 0.00 C ATOM 518 CD1 ILE A 35 -2.237 -2.894 -2.151 1.00 0.00 C ATOM 0 H ILE A 35 -0.013 -5.271 -4.223 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.733 -5.650 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.776 -5.208 -4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.507 -3.214 -4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.222 -2.863 -4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.848 -4.628 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.292 -6.270 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.032 -4.935 -1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.020 -1.826 -2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.152 -3.062 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.411 -3.419 -1.671 1.00 0.00 H new ATOM 530 N PRO A 36 -0.675 -7.965 -3.052 1.00 0.00 N ATOM 531 CA PRO A 36 -0.629 -9.390 -3.392 1.00 0.00 C ATOM 532 C PRO A 36 -1.624 -10.213 -2.580 1.00 0.00 C ATOM 533 O PRO A 36 -2.047 -11.287 -3.006 1.00 0.00 O ATOM 534 CB PRO A 36 0.807 -9.792 -3.045 1.00 0.00 C ATOM 535 CG PRO A 36 1.232 -8.814 -2.004 1.00 0.00 C ATOM 536 CD PRO A 36 0.535 -7.524 -2.338 1.00 0.00 C ATOM 0 HA PRO A 36 -0.896 -9.569 -4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.852 -10.814 -2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.454 -9.745 -3.921 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.956 -9.160 -1.008 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.314 -8.685 -2.008 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.288 -6.957 -1.441 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.157 -6.881 -2.960 1.00 0.00 H new ATOM 544 N GLU A 37 -1.992 -9.701 -1.410 1.00 0.00 N ATOM 545 CA GLU A 37 -2.937 -10.390 -0.539 1.00 0.00 C ATOM 546 C GLU A 37 -4.232 -10.705 -1.282 1.00 0.00 C ATOM 547 O GLU A 37 -4.937 -11.658 -0.948 1.00 0.00 O ATOM 548 CB GLU A 37 -3.239 -9.540 0.697 1.00 0.00 C ATOM 549 CG GLU A 37 -4.259 -8.443 0.446 1.00 0.00 C ATOM 550 CD GLU A 37 -4.585 -7.652 1.698 1.00 0.00 C ATOM 551 OE1 GLU A 37 -3.815 -7.745 2.676 1.00 0.00 O ATOM 552 OE2 GLU A 37 -5.612 -6.941 1.699 1.00 0.00 O ATOM 0 H GLU A 37 -1.651 -8.812 -1.044 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.482 -11.329 -0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.604 -10.189 1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.313 -9.089 1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.878 -7.766 -0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.174 -8.886 0.052 1.00 0.00 H new ATOM 559 N PHE A 38 -4.539 -9.898 -2.292 1.00 0.00 N ATOM 560 CA PHE A 38 -5.750 -10.088 -3.082 1.00 0.00 C ATOM 561 C PHE A 38 -5.491 -11.030 -4.255 1.00 0.00 C ATOM 562 O PHE A 38 -6.422 -11.602 -4.823 1.00 0.00 O ATOM 563 CB PHE A 38 -6.264 -8.743 -3.599 1.00 0.00 C ATOM 564 CG PHE A 38 -7.123 -8.009 -2.608 1.00 0.00 C ATOM 565 CD1 PHE A 38 -6.558 -7.128 -1.700 1.00 0.00 C ATOM 566 CD2 PHE A 38 -8.495 -8.201 -2.585 1.00 0.00 C ATOM 567 CE1 PHE A 38 -7.346 -6.453 -0.788 1.00 0.00 C ATOM 568 CE2 PHE A 38 -9.288 -7.528 -1.675 1.00 0.00 C ATOM 569 CZ PHE A 38 -8.713 -6.652 -0.776 1.00 0.00 C ATOM 0 H PHE A 38 -3.966 -9.106 -2.583 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.507 -10.535 -2.438 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.413 -8.116 -3.865 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.836 -8.908 -4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.490 -6.967 -1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.950 -8.885 -3.286 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.893 -5.770 -0.085 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.356 -7.687 -1.667 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.331 -6.123 -0.065 1.00 0.00 H new ATOM 579 N PHE A 39 -4.221 -11.185 -4.612 1.00 0.00 N ATOM 580 CA PHE A 39 -3.839 -12.056 -5.718 1.00 0.00 C ATOM 581 C PHE A 39 -3.259 -13.370 -5.200 1.00 0.00 C ATOM 582 O PHE A 39 -2.729 -14.171 -5.969 1.00 0.00 O ATOM 583 CB PHE A 39 -2.819 -11.356 -6.618 1.00 0.00 C ATOM 584 CG PHE A 39 -3.356 -10.122 -7.286 1.00 0.00 C ATOM 585 CD1 PHE A 39 -4.244 -10.223 -8.345 1.00 0.00 C ATOM 586 CD2 PHE A 39 -2.973 -8.862 -6.855 1.00 0.00 C ATOM 587 CE1 PHE A 39 -4.741 -9.090 -8.961 1.00 0.00 C ATOM 588 CE2 PHE A 39 -3.467 -7.726 -7.467 1.00 0.00 C ATOM 589 CZ PHE A 39 -4.351 -7.840 -8.522 1.00 0.00 C ATOM 0 H PHE A 39 -3.439 -10.719 -4.152 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.734 -12.277 -6.299 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.946 -11.087 -6.023 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.481 -12.055 -7.383 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.551 -11.198 -8.693 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.281 -8.767 -6.032 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.433 -9.182 -9.785 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.162 -6.750 -7.121 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.737 -6.953 -9.003 1.00 0.00 H new ATOM 599 N GLU A 40 -3.364 -13.581 -3.892 1.00 0.00 N ATOM 600 CA GLU A 40 -2.850 -14.796 -3.271 1.00 0.00 C ATOM 601 C GLU A 40 -3.523 -16.034 -3.858 1.00 0.00 C ATOM 602 O GLU A 40 -2.913 -16.784 -4.618 1.00 0.00 O ATOM 603 CB GLU A 40 -3.066 -14.754 -1.757 1.00 0.00 C ATOM 604 CG GLU A 40 -1.967 -14.022 -1.006 1.00 0.00 C ATOM 605 CD GLU A 40 -0.832 -14.939 -0.593 1.00 0.00 C ATOM 606 OE1 GLU A 40 -0.663 -15.998 -1.233 1.00 0.00 O ATOM 607 OE2 GLU A 40 -0.114 -14.598 0.370 1.00 0.00 O ATOM 0 H GLU A 40 -3.800 -12.927 -3.242 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.781 -14.853 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.021 -14.272 -1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.135 -15.774 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.573 -13.223 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.390 -13.551 -0.119 1.00 0.00 H new ATOM 614 N GLY A 41 -4.786 -16.240 -3.498 1.00 0.00 N ATOM 615 CA GLY A 41 -5.522 -17.387 -3.996 1.00 0.00 C ATOM 616 C GLY A 41 -6.584 -17.862 -3.024 1.00 0.00 C ATOM 617 O GLY A 41 -6.812 -19.063 -2.881 1.00 0.00 O ATOM 0 H GLY A 41 -5.313 -15.633 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.992 -17.129 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.826 -18.202 -4.196 1.00 0.00 H new ATOM 621 N ARG A 42 -7.234 -16.917 -2.354 1.00 0.00 N ATOM 622 CA ARG A 42 -8.276 -17.245 -1.388 1.00 0.00 C ATOM 623 C ARG A 42 -9.661 -16.973 -1.969 1.00 0.00 C ATOM 624 O ARG A 42 -9.806 -16.200 -2.916 1.00 0.00 O ATOM 625 CB ARG A 42 -8.083 -16.438 -0.103 1.00 0.00 C ATOM 626 CG ARG A 42 -6.806 -16.783 0.647 1.00 0.00 C ATOM 627 CD ARG A 42 -7.004 -17.982 1.561 1.00 0.00 C ATOM 628 NE ARG A 42 -5.877 -18.169 2.470 1.00 0.00 N ATOM 629 CZ ARG A 42 -4.752 -18.789 2.129 1.00 0.00 C ATOM 630 NH1 ARG A 42 -4.606 -19.279 0.906 1.00 0.00 N ATOM 631 NH2 ARG A 42 -3.771 -18.919 3.013 1.00 0.00 N ATOM 0 H ARG A 42 -7.058 -15.918 -2.462 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.200 -18.307 -1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.074 -15.376 -0.349 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.937 -16.606 0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.010 -16.995 -0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.485 -15.924 1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.918 -17.850 2.140 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.136 -18.880 0.957 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.957 -17.804 3.419 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.358 -19.181 0.224 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.742 -19.754 0.647 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.880 -18.543 3.955 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.908 -19.395 2.751 1.00 0.00 H new ATOM 645 N GLN A 43 -10.674 -17.612 -1.394 1.00 0.00 N ATOM 646 CA GLN A 43 -12.047 -17.440 -1.856 1.00 0.00 C ATOM 647 C GLN A 43 -12.588 -16.072 -1.453 1.00 0.00 C ATOM 648 O GLN A 43 -13.155 -15.352 -2.275 1.00 0.00 O ATOM 649 CB GLN A 43 -12.941 -18.543 -1.287 1.00 0.00 C ATOM 650 CG GLN A 43 -13.139 -18.450 0.217 1.00 0.00 C ATOM 651 CD GLN A 43 -13.855 -19.659 0.787 1.00 0.00 C ATOM 652 OE1 GLN A 43 -13.667 -20.783 0.321 1.00 0.00 O ATOM 653 NE2 GLN A 43 -14.683 -19.434 1.800 1.00 0.00 N ATOM 0 H GLN A 43 -10.571 -18.253 -0.608 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.049 -17.506 -2.944 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.914 -18.499 -1.777 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.506 -19.513 -1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.168 -18.345 0.702 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.710 -17.551 0.450 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -14.809 -18.486 2.155 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -15.193 -20.209 2.223 1.00 0.00 H new ATOM 662 N ALA A 44 -12.409 -15.720 -0.184 1.00 0.00 N ATOM 663 CA ALA A 44 -12.879 -14.438 0.326 1.00 0.00 C ATOM 664 C ALA A 44 -12.247 -13.279 -0.437 1.00 0.00 C ATOM 665 O ALA A 44 -12.938 -12.355 -0.867 1.00 0.00 O ATOM 666 CB ALA A 44 -12.578 -14.320 1.813 1.00 0.00 C ATOM 0 H ALA A 44 -11.942 -16.304 0.509 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.958 -14.390 0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.934 -13.358 2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.081 -15.123 2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -11.502 -14.394 1.974 1.00 0.00 H new ATOM 672 N LYS A 45 -10.929 -13.333 -0.601 1.00 0.00 N ATOM 673 CA LYS A 45 -10.203 -12.288 -1.313 1.00 0.00 C ATOM 674 C LYS A 45 -10.188 -12.561 -2.813 1.00 0.00 C ATOM 675 O LYS A 45 -9.910 -13.678 -3.249 1.00 0.00 O ATOM 676 CB LYS A 45 -8.769 -12.186 -0.787 1.00 0.00 C ATOM 677 CG LYS A 45 -8.678 -12.135 0.728 1.00 0.00 C ATOM 678 CD LYS A 45 -7.433 -11.396 1.187 1.00 0.00 C ATOM 679 CE LYS A 45 -7.471 -11.116 2.682 1.00 0.00 C ATOM 680 NZ LYS A 45 -7.185 -12.338 3.483 1.00 0.00 N ATOM 0 H LYS A 45 -10.342 -14.090 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.715 -11.342 -1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.197 -13.041 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.302 -11.292 -1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.563 -11.643 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.668 -13.149 1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.549 -11.987 0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.344 -10.456 0.642 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.742 -10.343 2.925 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.452 -10.725 2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.220 -12.105 4.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.896 -13.067 3.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.239 -12.697 3.243 1.00 0.00 H new ATOM 694 N THR A 46 -10.488 -11.532 -3.600 1.00 0.00 N ATOM 695 CA THR A 46 -10.509 -11.662 -5.052 1.00 0.00 C ATOM 696 C THR A 46 -9.915 -10.428 -5.722 1.00 0.00 C ATOM 697 O THR A 46 -9.969 -9.318 -5.193 1.00 0.00 O ATOM 698 CB THR A 46 -11.941 -11.877 -5.576 1.00 0.00 C ATOM 699 OG1 THR A 46 -12.684 -10.656 -5.488 1.00 0.00 O ATOM 700 CG2 THR A 46 -12.649 -12.966 -4.785 1.00 0.00 C ATOM 0 H THR A 46 -10.720 -10.600 -3.256 1.00 0.00 H new ATOM 0 HA THR A 46 -9.905 -12.534 -5.300 1.00 0.00 H new ATOM 0 HB THR A 46 -11.879 -12.189 -6.618 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.593 -10.801 -5.825 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.659 -13.100 -5.173 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.097 -13.901 -4.879 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.699 -12.679 -3.735 1.00 0.00 H new ATOM 708 N PRO A 47 -9.334 -10.624 -6.915 1.00 0.00 N ATOM 709 CA PRO A 47 -8.720 -9.538 -7.684 1.00 0.00 C ATOM 710 C PRO A 47 -9.753 -8.562 -8.238 1.00 0.00 C ATOM 711 O PRO A 47 -9.460 -7.385 -8.444 1.00 0.00 O ATOM 712 CB PRO A 47 -8.010 -10.269 -8.826 1.00 0.00 C ATOM 713 CG PRO A 47 -8.761 -11.546 -8.983 1.00 0.00 C ATOM 714 CD PRO A 47 -9.233 -11.921 -7.606 1.00 0.00 C ATOM 0 HA PRO A 47 -8.056 -8.930 -7.070 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.030 -9.682 -9.745 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.962 -10.453 -8.588 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.603 -11.422 -9.664 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.124 -12.324 -9.402 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.193 -12.436 -7.637 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.529 -12.588 -7.108 1.00 0.00 H new ATOM 722 N GLU A 48 -10.962 -9.060 -8.475 1.00 0.00 N ATOM 723 CA GLU A 48 -12.039 -8.231 -9.005 1.00 0.00 C ATOM 724 C GLU A 48 -12.524 -7.234 -7.957 1.00 0.00 C ATOM 725 O GLU A 48 -12.999 -6.149 -8.290 1.00 0.00 O ATOM 726 CB GLU A 48 -13.204 -9.106 -9.471 1.00 0.00 C ATOM 727 CG GLU A 48 -13.018 -9.675 -10.867 1.00 0.00 C ATOM 728 CD GLU A 48 -13.823 -10.940 -11.093 1.00 0.00 C ATOM 729 OE1 GLU A 48 -14.906 -11.072 -10.486 1.00 0.00 O ATOM 730 OE2 GLU A 48 -13.369 -11.799 -11.879 1.00 0.00 O ATOM 0 H GLU A 48 -11.221 -10.033 -8.309 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.649 -7.675 -9.857 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.334 -9.928 -8.767 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.121 -8.518 -9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.311 -8.926 -11.603 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.961 -9.887 -11.031 1.00 0.00 H new ATOM 737 N ARG A 49 -12.401 -7.611 -6.688 1.00 0.00 N ATOM 738 CA ARG A 49 -12.828 -6.752 -5.591 1.00 0.00 C ATOM 739 C ARG A 49 -11.812 -5.640 -5.344 1.00 0.00 C ATOM 740 O ARG A 49 -12.181 -4.482 -5.144 1.00 0.00 O ATOM 741 CB ARG A 49 -13.020 -7.575 -4.315 1.00 0.00 C ATOM 742 CG ARG A 49 -14.079 -7.013 -3.381 1.00 0.00 C ATOM 743 CD ARG A 49 -14.066 -7.719 -2.035 1.00 0.00 C ATOM 744 NE ARG A 49 -14.300 -9.155 -2.167 1.00 0.00 N ATOM 745 CZ ARG A 49 -15.494 -9.686 -2.402 1.00 0.00 C ATOM 746 NH1 ARG A 49 -16.558 -8.905 -2.530 1.00 0.00 N ATOM 747 NH2 ARG A 49 -15.627 -11.002 -2.510 1.00 0.00 N ATOM 0 H ARG A 49 -12.009 -8.506 -6.395 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.779 -6.297 -5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.293 -8.594 -4.588 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.071 -7.631 -3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.908 -5.946 -3.235 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.063 -7.119 -3.839 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.106 -7.552 -1.547 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.831 -7.285 -1.391 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.503 -9.784 -2.074 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.461 -7.893 -2.448 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.474 -9.316 -2.711 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.811 -11.607 -2.412 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.545 -11.409 -2.691 1.00 0.00 H new ATOM 761 N TYR A 50 -10.534 -6.000 -5.358 1.00 0.00 N ATOM 762 CA TYR A 50 -9.465 -5.034 -5.133 1.00 0.00 C ATOM 763 C TYR A 50 -9.589 -3.852 -6.090 1.00 0.00 C ATOM 764 O TYR A 50 -9.279 -2.715 -5.734 1.00 0.00 O ATOM 765 CB TYR A 50 -8.100 -5.703 -5.304 1.00 0.00 C ATOM 766 CG TYR A 50 -6.976 -4.726 -5.564 1.00 0.00 C ATOM 767 CD1 TYR A 50 -6.521 -3.877 -4.562 1.00 0.00 C ATOM 768 CD2 TYR A 50 -6.367 -4.653 -6.811 1.00 0.00 C ATOM 769 CE1 TYR A 50 -5.495 -2.983 -4.796 1.00 0.00 C ATOM 770 CE2 TYR A 50 -5.339 -3.763 -7.053 1.00 0.00 C ATOM 771 CZ TYR A 50 -4.907 -2.930 -6.042 1.00 0.00 C ATOM 772 OH TYR A 50 -3.883 -2.041 -6.278 1.00 0.00 O ATOM 0 H TYR A 50 -10.213 -6.954 -5.523 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.554 -4.662 -4.112 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.871 -6.277 -4.406 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.153 -6.412 -6.131 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.978 -3.917 -3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.703 -5.304 -7.605 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.155 -2.329 -4.007 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.876 -3.720 -8.028 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.857 -1.374 -5.561 1.00 0.00 H new ATOM 782 N LEU A 51 -10.044 -4.130 -7.307 1.00 0.00 N ATOM 783 CA LEU A 51 -10.210 -3.091 -8.317 1.00 0.00 C ATOM 784 C LEU A 51 -11.344 -2.142 -7.942 1.00 0.00 C ATOM 785 O LEU A 51 -11.201 -0.922 -8.024 1.00 0.00 O ATOM 786 CB LEU A 51 -10.487 -3.720 -9.683 1.00 0.00 C ATOM 787 CG LEU A 51 -9.259 -4.038 -10.538 1.00 0.00 C ATOM 788 CD1 LEU A 51 -9.675 -4.679 -11.853 1.00 0.00 C ATOM 789 CD2 LEU A 51 -8.444 -2.778 -10.790 1.00 0.00 C ATOM 0 H LEU A 51 -10.304 -5.066 -7.618 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.284 -2.518 -8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.046 -4.643 -9.529 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.133 -3.046 -10.247 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.635 -4.747 -9.994 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.788 -4.898 -12.448 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.215 -5.604 -11.652 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.321 -3.995 -12.403 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.574 -3.023 -11.400 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.059 -2.045 -11.313 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.114 -2.362 -9.838 1.00 0.00 H new ATOM 801 N LYS A 52 -12.471 -2.711 -7.527 1.00 0.00 N ATOM 802 CA LYS A 52 -13.630 -1.918 -7.135 1.00 0.00 C ATOM 803 C LYS A 52 -13.256 -0.906 -6.056 1.00 0.00 C ATOM 804 O LYS A 52 -13.610 0.270 -6.146 1.00 0.00 O ATOM 805 CB LYS A 52 -14.750 -2.829 -6.628 1.00 0.00 C ATOM 806 CG LYS A 52 -16.135 -2.221 -6.761 1.00 0.00 C ATOM 807 CD LYS A 52 -16.450 -1.292 -5.600 1.00 0.00 C ATOM 808 CE LYS A 52 -17.570 -0.324 -5.950 1.00 0.00 C ATOM 809 NZ LYS A 52 -18.350 0.079 -4.747 1.00 0.00 N ATOM 0 H LYS A 52 -12.606 -3.719 -7.454 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.981 -1.375 -8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.720 -3.769 -7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.566 -3.068 -5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.203 -1.669 -7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.880 -3.016 -6.805 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.736 -1.881 -4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.555 -0.732 -5.327 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.149 0.563 -6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.237 -0.788 -6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.293 -0.357 -4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.854 -0.238 -3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.448 1.114 -4.727 1.00 0.00 H new ATOM 823 N ILE A 53 -12.540 -1.371 -5.038 1.00 0.00 N ATOM 824 CA ILE A 53 -12.117 -0.505 -3.944 1.00 0.00 C ATOM 825 C ILE A 53 -11.054 0.486 -4.406 1.00 0.00 C ATOM 826 O ILE A 53 -11.149 1.683 -4.137 1.00 0.00 O ATOM 827 CB ILE A 53 -11.561 -1.322 -2.762 1.00 0.00 C ATOM 828 CG1 ILE A 53 -12.541 -2.433 -2.377 1.00 0.00 C ATOM 829 CG2 ILE A 53 -11.288 -0.414 -1.573 1.00 0.00 C ATOM 830 CD1 ILE A 53 -11.951 -3.457 -1.433 1.00 0.00 C ATOM 0 H ILE A 53 -12.241 -2.342 -4.948 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.001 0.041 -3.615 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.621 -1.782 -3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.420 -1.986 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.880 -2.937 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.896 -1.006 -0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.558 0.345 -1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -12.214 0.071 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.701 -4.214 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.089 -3.931 -1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.638 -2.965 -0.512 1.00 0.00 H new ATOM 842 N ARG A 54 -10.044 -0.021 -5.105 1.00 0.00 N ATOM 843 CA ARG A 54 -8.963 0.819 -5.606 1.00 0.00 C ATOM 844 C ARG A 54 -9.501 1.892 -6.549 1.00 0.00 C ATOM 845 O ARG A 54 -9.418 3.085 -6.259 1.00 0.00 O ATOM 846 CB ARG A 54 -7.919 -0.033 -6.329 1.00 0.00 C ATOM 847 CG ARG A 54 -6.549 0.621 -6.410 1.00 0.00 C ATOM 848 CD ARG A 54 -5.681 -0.034 -7.473 1.00 0.00 C ATOM 849 NE ARG A 54 -6.089 0.343 -8.823 1.00 0.00 N ATOM 850 CZ ARG A 54 -5.839 -0.393 -9.900 1.00 0.00 C ATOM 851 NH1 ARG A 54 -5.185 -1.541 -9.784 1.00 0.00 N ATOM 852 NH2 ARG A 54 -6.243 0.017 -11.095 1.00 0.00 N ATOM 0 H ARG A 54 -9.952 -1.010 -5.337 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.494 1.310 -4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.825 -0.990 -5.816 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.271 -0.245 -7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.664 1.681 -6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.054 0.552 -5.441 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.640 0.250 -7.316 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.735 -1.118 -7.368 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.594 1.221 -8.946 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.873 -1.860 -8.867 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.994 -2.105 -10.612 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.747 0.899 -11.188 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.050 -0.550 -11.921 1.00 0.00 H new ATOM 866 N ASN A 55 -10.052 1.458 -7.678 1.00 0.00 N ATOM 867 CA ASN A 55 -10.603 2.381 -8.664 1.00 0.00 C ATOM 868 C ASN A 55 -11.393 3.495 -7.984 1.00 0.00 C ATOM 869 O ASN A 55 -11.338 4.652 -8.399 1.00 0.00 O ATOM 870 CB ASN A 55 -11.501 1.631 -9.649 1.00 0.00 C ATOM 871 CG ASN A 55 -10.706 0.819 -10.653 1.00 0.00 C ATOM 872 OD1 ASN A 55 -9.490 0.669 -10.524 1.00 0.00 O ATOM 873 ND2 ASN A 55 -11.390 0.290 -11.661 1.00 0.00 N ATOM 0 H ASN A 55 -10.129 0.473 -7.933 1.00 0.00 H new ATOM 0 HA ASN A 55 -9.773 2.830 -9.209 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.168 0.969 -9.097 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -12.130 2.346 -10.180 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.909 -0.266 -12.368 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.397 0.440 -11.729 1.00 0.00 H new ATOM 880 N TYR A 56 -12.128 3.137 -6.937 1.00 0.00 N ATOM 881 CA TYR A 56 -12.932 4.105 -6.200 1.00 0.00 C ATOM 882 C TYR A 56 -12.054 5.203 -5.608 1.00 0.00 C ATOM 883 O TYR A 56 -12.284 6.390 -5.841 1.00 0.00 O ATOM 884 CB TYR A 56 -13.716 3.407 -5.088 1.00 0.00 C ATOM 885 CG TYR A 56 -14.784 4.276 -4.463 1.00 0.00 C ATOM 886 CD1 TYR A 56 -16.072 4.312 -4.983 1.00 0.00 C ATOM 887 CD2 TYR A 56 -14.505 5.062 -3.351 1.00 0.00 C ATOM 888 CE1 TYR A 56 -17.050 5.105 -4.415 1.00 0.00 C ATOM 889 CE2 TYR A 56 -15.477 5.857 -2.775 1.00 0.00 C ATOM 890 CZ TYR A 56 -16.747 5.876 -3.311 1.00 0.00 C ATOM 891 OH TYR A 56 -17.719 6.666 -2.742 1.00 0.00 O ATOM 0 H TYR A 56 -12.184 2.183 -6.579 1.00 0.00 H new ATOM 0 HA TYR A 56 -13.634 4.563 -6.897 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -14.181 2.508 -5.492 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.021 3.085 -4.312 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -16.313 3.709 -5.846 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -13.511 5.051 -2.930 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -18.046 5.122 -4.832 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -15.243 6.460 -1.910 1.00 0.00 H new ATOM 0 HH TYR A 56 -17.344 7.144 -1.973 1.00 0.00 H new ATOM 901 N ILE A 57 -11.048 4.797 -4.841 1.00 0.00 N ATOM 902 CA ILE A 57 -10.134 5.745 -4.216 1.00 0.00 C ATOM 903 C ILE A 57 -9.487 6.653 -5.256 1.00 0.00 C ATOM 904 O ILE A 57 -9.485 7.877 -5.114 1.00 0.00 O ATOM 905 CB ILE A 57 -9.029 5.023 -3.423 1.00 0.00 C ATOM 906 CG1 ILE A 57 -9.634 4.258 -2.244 1.00 0.00 C ATOM 907 CG2 ILE A 57 -7.988 6.020 -2.937 1.00 0.00 C ATOM 908 CD1 ILE A 57 -8.675 3.278 -1.604 1.00 0.00 C ATOM 0 H ILE A 57 -10.845 3.818 -4.637 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.727 6.349 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.538 4.307 -4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -9.968 4.972 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.517 3.719 -2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.214 5.494 -2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.539 6.524 -3.793 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.464 6.757 -2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.171 2.772 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.360 2.541 -2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.802 3.814 -1.231 1.00 0.00 H new ATOM 920 N LEU A 58 -8.941 6.047 -6.304 1.00 0.00 N ATOM 921 CA LEU A 58 -8.292 6.800 -7.372 1.00 0.00 C ATOM 922 C LEU A 58 -9.241 7.838 -7.961 1.00 0.00 C ATOM 923 O LEU A 58 -8.861 8.988 -8.182 1.00 0.00 O ATOM 924 CB LEU A 58 -7.809 5.852 -8.471 1.00 0.00 C ATOM 925 CG LEU A 58 -6.391 5.302 -8.308 1.00 0.00 C ATOM 926 CD1 LEU A 58 -6.157 4.139 -9.260 1.00 0.00 C ATOM 927 CD2 LEU A 58 -5.363 6.399 -8.539 1.00 0.00 C ATOM 0 H LEU A 58 -8.935 5.036 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.434 7.320 -6.946 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.499 5.010 -8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.867 6.375 -9.426 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.279 4.937 -7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.143 3.761 -9.130 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.871 3.344 -9.046 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.289 4.478 -10.288 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.360 5.989 -8.419 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.474 6.795 -9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.517 7.200 -7.816 1.00 0.00 H new ATOM 939 N ASP A 59 -10.479 7.425 -8.211 1.00 0.00 N ATOM 940 CA ASP A 59 -11.485 8.320 -8.771 1.00 0.00 C ATOM 941 C ASP A 59 -11.726 9.512 -7.849 1.00 0.00 C ATOM 942 O ASP A 59 -11.656 10.663 -8.278 1.00 0.00 O ATOM 943 CB ASP A 59 -12.795 7.567 -9.005 1.00 0.00 C ATOM 944 CG ASP A 59 -12.860 6.928 -10.378 1.00 0.00 C ATOM 945 OD1 ASP A 59 -11.873 6.272 -10.775 1.00 0.00 O ATOM 946 OD2 ASP A 59 -13.896 7.084 -11.056 1.00 0.00 O ATOM 0 H ASP A 59 -10.810 6.476 -8.035 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.114 8.692 -9.726 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.908 6.796 -8.243 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.632 8.255 -8.888 1.00 0.00 H new ATOM 951 N GLN A 60 -12.012 9.226 -6.583 1.00 0.00 N ATOM 952 CA GLN A 60 -12.265 10.274 -5.602 1.00 0.00 C ATOM 953 C GLN A 60 -11.087 11.240 -5.521 1.00 0.00 C ATOM 954 O GLN A 60 -11.272 12.455 -5.460 1.00 0.00 O ATOM 955 CB GLN A 60 -12.532 9.661 -4.227 1.00 0.00 C ATOM 956 CG GLN A 60 -13.759 8.763 -4.189 1.00 0.00 C ATOM 957 CD GLN A 60 -14.972 9.405 -4.832 1.00 0.00 C ATOM 958 OE1 GLN A 60 -15.388 10.498 -4.446 1.00 0.00 O ATOM 959 NE2 GLN A 60 -15.548 8.728 -5.818 1.00 0.00 N ATOM 0 H GLN A 60 -12.074 8.278 -6.213 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.146 10.830 -5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.660 9.084 -3.920 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.656 10.463 -3.499 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.535 7.826 -4.699 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.990 8.514 -3.153 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.170 7.825 -6.106 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.369 9.110 -6.288 1.00 0.00 H new ATOM 968 N TRP A 61 -9.878 10.691 -5.521 1.00 0.00 N ATOM 969 CA TRP A 61 -8.670 11.505 -5.447 1.00 0.00 C ATOM 970 C TRP A 61 -8.774 12.719 -6.363 1.00 0.00 C ATOM 971 O TRP A 61 -8.653 13.858 -5.914 1.00 0.00 O ATOM 972 CB TRP A 61 -7.444 10.670 -5.823 1.00 0.00 C ATOM 973 CG TRP A 61 -6.348 11.475 -6.453 1.00 0.00 C ATOM 974 CD1 TRP A 61 -5.764 11.255 -7.668 1.00 0.00 C ATOM 975 CD2 TRP A 61 -5.704 12.627 -5.899 1.00 0.00 C ATOM 976 NE1 TRP A 61 -4.795 12.201 -7.902 1.00 0.00 N ATOM 977 CE2 TRP A 61 -4.740 13.055 -6.832 1.00 0.00 C ATOM 978 CE3 TRP A 61 -5.849 13.341 -4.706 1.00 0.00 C ATOM 979 CZ2 TRP A 61 -3.926 14.162 -6.607 1.00 0.00 C ATOM 980 CZ3 TRP A 61 -5.041 14.439 -4.484 1.00 0.00 C ATOM 981 CH2 TRP A 61 -4.089 14.842 -5.431 1.00 0.00 C ATOM 0 H TRP A 61 -9.708 9.687 -5.571 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.561 11.856 -4.421 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.058 10.181 -4.929 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.748 9.881 -6.511 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -6.025 10.455 -8.345 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -4.212 12.258 -8.737 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.580 13.039 -3.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.192 14.473 -7.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.144 14.997 -3.565 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.473 15.705 -5.228 1.00 0.00 H new ATOM 992 N GLU A 62 -8.999 12.467 -7.649 1.00 0.00 N ATOM 993 CA GLU A 62 -9.119 13.542 -8.627 1.00 0.00 C ATOM 994 C GLU A 62 -10.359 14.389 -8.356 1.00 0.00 C ATOM 995 O GLU A 62 -10.351 15.603 -8.563 1.00 0.00 O ATOM 996 CB GLU A 62 -9.180 12.967 -10.044 1.00 0.00 C ATOM 997 CG GLU A 62 -8.395 11.677 -10.212 1.00 0.00 C ATOM 998 CD GLU A 62 -8.038 11.396 -11.659 1.00 0.00 C ATOM 999 OE1 GLU A 62 -8.898 10.858 -12.388 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -6.900 11.713 -12.062 1.00 0.00 O ATOM 0 H GLU A 62 -9.102 11.529 -8.037 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.239 14.179 -8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.222 12.786 -10.309 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.798 13.709 -10.745 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.481 11.732 -9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.980 10.846 -9.818 1.00 0.00 H new ATOM 1007 N ILE A 63 -11.422 13.740 -7.893 1.00 0.00 N ATOM 1008 CA ILE A 63 -12.668 14.433 -7.593 1.00 0.00 C ATOM 1009 C ILE A 63 -12.445 15.553 -6.582 1.00 0.00 C ATOM 1010 O ILE A 63 -13.239 16.490 -6.493 1.00 0.00 O ATOM 1011 CB ILE A 63 -13.732 13.465 -7.043 1.00 0.00 C ATOM 1012 CG1 ILE A 63 -14.269 12.572 -8.164 1.00 0.00 C ATOM 1013 CG2 ILE A 63 -14.865 14.240 -6.387 1.00 0.00 C ATOM 1014 CD1 ILE A 63 -15.034 11.367 -7.663 1.00 0.00 C ATOM 0 H ILE A 63 -11.445 12.735 -7.718 1.00 0.00 H new ATOM 0 HA ILE A 63 -13.026 14.859 -8.530 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.268 12.830 -6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.920 13.163 -8.808 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.435 12.233 -8.778 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.609 13.542 -6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.469 14.837 -5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -15.329 14.897 -7.122 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.385 10.780 -8.512 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.381 10.753 -7.043 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.889 11.698 -7.073 1.00 0.00 H new ATOM 1026 N CYS A 64 -11.360 15.449 -5.823 1.00 0.00 N ATOM 1027 CA CYS A 64 -11.031 16.455 -4.818 1.00 0.00 C ATOM 1028 C CYS A 64 -9.790 17.243 -5.224 1.00 0.00 C ATOM 1029 O CYS A 64 -9.686 18.440 -4.953 1.00 0.00 O ATOM 1030 CB CYS A 64 -10.808 15.792 -3.458 1.00 0.00 C ATOM 1031 SG CYS A 64 -12.319 15.554 -2.495 1.00 0.00 S ATOM 0 H CYS A 64 -10.693 14.679 -5.884 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.870 17.147 -4.743 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.332 14.824 -3.612 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.113 16.400 -2.879 1.00 0.00 H new ATOM 0 HG CYS A 64 -12.027 14.985 -1.363 1.00 0.00 H new ATOM 1037 N LYS A 65 -8.851 16.564 -5.873 1.00 0.00 N ATOM 1038 CA LYS A 65 -7.615 17.200 -6.316 1.00 0.00 C ATOM 1039 C LYS A 65 -7.882 18.615 -6.820 1.00 0.00 C ATOM 1040 O LYS A 65 -8.985 18.948 -7.252 1.00 0.00 O ATOM 1041 CB LYS A 65 -6.958 16.369 -7.420 1.00 0.00 C ATOM 1042 CG LYS A 65 -7.376 16.781 -8.821 1.00 0.00 C ATOM 1043 CD LYS A 65 -6.655 15.964 -9.881 1.00 0.00 C ATOM 1044 CE LYS A 65 -5.298 16.563 -10.218 1.00 0.00 C ATOM 1045 NZ LYS A 65 -4.892 16.263 -11.619 1.00 0.00 N ATOM 0 H LYS A 65 -8.922 15.573 -6.104 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.939 17.259 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.875 16.456 -7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.207 15.319 -7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.453 16.654 -8.933 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.163 17.840 -8.969 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.525 14.941 -9.528 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.266 15.915 -10.782 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.331 17.643 -10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.548 16.172 -9.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.962 16.688 -11.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.835 15.233 -11.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.595 16.658 -12.276 1.00 0.00 H new ATOM 1059 N PRO A 66 -6.848 19.468 -6.764 1.00 0.00 N ATOM 1060 CA PRO A 66 -5.530 19.083 -6.251 1.00 0.00 C ATOM 1061 C PRO A 66 -5.542 18.846 -4.744 1.00 0.00 C ATOM 1062 O PRO A 66 -4.548 18.405 -4.167 1.00 0.00 O ATOM 1063 CB PRO A 66 -4.650 20.286 -6.596 1.00 0.00 C ATOM 1064 CG PRO A 66 -5.594 21.436 -6.676 1.00 0.00 C ATOM 1065 CD PRO A 66 -6.887 20.874 -7.199 1.00 0.00 C ATOM 0 HA PRO A 66 -5.182 18.145 -6.684 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.889 20.451 -5.834 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.128 20.136 -7.541 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.735 21.894 -5.697 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.209 22.212 -7.338 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.749 21.398 -6.787 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.952 20.957 -8.284 1.00 0.00 H new ATOM 1073 N LYS A 67 -6.673 19.141 -4.112 1.00 0.00 N ATOM 1074 CA LYS A 67 -6.816 18.959 -2.673 1.00 0.00 C ATOM 1075 C LYS A 67 -6.521 17.516 -2.275 1.00 0.00 C ATOM 1076 O LYS A 67 -6.887 16.579 -2.985 1.00 0.00 O ATOM 1077 CB LYS A 67 -8.228 19.344 -2.227 1.00 0.00 C ATOM 1078 CG LYS A 67 -8.418 20.838 -2.031 1.00 0.00 C ATOM 1079 CD LYS A 67 -8.170 21.605 -3.319 1.00 0.00 C ATOM 1080 CE LYS A 67 -8.526 23.076 -3.168 1.00 0.00 C ATOM 1081 NZ LYS A 67 -8.320 23.829 -4.437 1.00 0.00 N ATOM 0 H LYS A 67 -7.505 19.508 -4.575 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.095 19.609 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.944 18.990 -2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.457 18.831 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.431 21.034 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.737 21.194 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.122 21.510 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.760 21.167 -4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.566 23.168 -2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.916 23.518 -2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.573 24.827 -4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.322 23.763 -4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.921 23.423 -5.183 1.00 0.00 H new ATOM 1095 N TYR A 68 -5.859 17.345 -1.136 1.00 0.00 N ATOM 1096 CA TYR A 68 -5.515 16.016 -0.645 1.00 0.00 C ATOM 1097 C TYR A 68 -6.769 15.178 -0.416 1.00 0.00 C ATOM 1098 O TYR A 68 -7.880 15.707 -0.346 1.00 0.00 O ATOM 1099 CB TYR A 68 -4.714 16.121 0.654 1.00 0.00 C ATOM 1100 CG TYR A 68 -4.341 14.781 1.246 1.00 0.00 C ATOM 1101 CD1 TYR A 68 -3.207 14.102 0.819 1.00 0.00 C ATOM 1102 CD2 TYR A 68 -5.124 14.193 2.233 1.00 0.00 C ATOM 1103 CE1 TYR A 68 -2.863 12.876 1.357 1.00 0.00 C ATOM 1104 CE2 TYR A 68 -4.787 12.969 2.777 1.00 0.00 C ATOM 1105 CZ TYR A 68 -3.656 12.314 2.336 1.00 0.00 C ATOM 1106 OH TYR A 68 -3.317 11.095 2.875 1.00 0.00 O ATOM 0 H TYR A 68 -5.550 18.110 -0.536 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.904 15.524 -1.402 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.804 16.691 0.465 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.296 16.682 1.385 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.583 14.539 0.053 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.011 14.702 2.580 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.978 12.361 1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.406 12.527 3.544 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.979 10.841 3.552 1.00 0.00 H new ATOM 1116 N LEU A 69 -6.584 13.868 -0.299 1.00 0.00 N ATOM 1117 CA LEU A 69 -7.699 12.954 -0.077 1.00 0.00 C ATOM 1118 C LEU A 69 -7.336 11.893 0.957 1.00 0.00 C ATOM 1119 O LEU A 69 -6.441 11.079 0.737 1.00 0.00 O ATOM 1120 CB LEU A 69 -8.105 12.284 -1.391 1.00 0.00 C ATOM 1121 CG LEU A 69 -9.009 11.057 -1.267 1.00 0.00 C ATOM 1122 CD1 LEU A 69 -10.473 11.468 -1.301 1.00 0.00 C ATOM 1123 CD2 LEU A 69 -8.708 10.059 -2.375 1.00 0.00 C ATOM 0 H LEU A 69 -5.672 13.415 -0.354 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.541 13.533 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.612 13.023 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.199 11.991 -1.921 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.809 10.577 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.102 10.582 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.680 12.145 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.688 11.972 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.361 9.192 -2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.879 10.528 -3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.668 9.741 -2.305 1.00 0.00 H new ATOM 1135 N ASN A 70 -8.040 11.908 2.085 1.00 0.00 N ATOM 1136 CA ASN A 70 -7.793 10.946 3.153 1.00 0.00 C ATOM 1137 C ASN A 70 -8.544 9.643 2.896 1.00 0.00 C ATOM 1138 O ASN A 70 -9.523 9.614 2.150 1.00 0.00 O ATOM 1139 CB ASN A 70 -8.212 11.532 4.502 1.00 0.00 C ATOM 1140 CG ASN A 70 -7.679 12.935 4.714 1.00 0.00 C ATOM 1141 OD1 ASN A 70 -7.950 13.840 3.924 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -6.916 13.123 5.785 1.00 0.00 N ATOM 0 H ASN A 70 -8.786 12.575 2.283 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.725 10.730 3.174 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.300 11.546 4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.854 10.885 5.303 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.529 14.046 5.980 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.717 12.344 6.413 1.00 0.00 H new ATOM 1149 N LYS A 71 -8.079 8.566 3.519 1.00 0.00 N ATOM 1150 CA LYS A 71 -8.706 7.259 3.361 1.00 0.00 C ATOM 1151 C LYS A 71 -10.076 7.229 4.030 1.00 0.00 C ATOM 1152 O LYS A 71 -10.970 6.494 3.608 1.00 0.00 O ATOM 1153 CB LYS A 71 -7.813 6.166 3.953 1.00 0.00 C ATOM 1154 CG LYS A 71 -7.622 6.285 5.455 1.00 0.00 C ATOM 1155 CD LYS A 71 -6.626 5.260 5.972 1.00 0.00 C ATOM 1156 CE LYS A 71 -5.920 5.753 7.226 1.00 0.00 C ATOM 1157 NZ LYS A 71 -4.808 6.689 6.905 1.00 0.00 N ATOM 0 H LYS A 71 -7.269 8.572 4.139 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.837 7.073 2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.246 5.192 3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.838 6.202 3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.274 7.288 5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.580 6.148 5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.143 4.325 6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.889 5.045 5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.639 6.253 7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.528 4.901 7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.353 7.002 7.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.109 6.205 6.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.185 7.515 6.398 1.00 0.00 H new ATOM 1171 N THR A 72 -10.237 8.032 5.077 1.00 0.00 N ATOM 1172 CA THR A 72 -11.498 8.098 5.805 1.00 0.00 C ATOM 1173 C THR A 72 -12.594 8.724 4.950 1.00 0.00 C ATOM 1174 O THR A 72 -13.781 8.502 5.187 1.00 0.00 O ATOM 1175 CB THR A 72 -11.353 8.906 7.108 1.00 0.00 C ATOM 1176 OG1 THR A 72 -12.461 8.640 7.975 1.00 0.00 O ATOM 1177 CG2 THR A 72 -11.279 10.397 6.814 1.00 0.00 C ATOM 0 H THR A 72 -9.508 8.647 5.440 1.00 0.00 H new ATOM 0 HA THR A 72 -11.775 7.073 6.052 1.00 0.00 H new ATOM 0 HB THR A 72 -10.428 8.602 7.598 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.152 8.132 8.754 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.177 10.948 7.749 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.418 10.600 6.177 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.189 10.713 6.305 1.00 0.00 H new ATOM 1185 N SER A 73 -12.188 9.507 3.956 1.00 0.00 N ATOM 1186 CA SER A 73 -13.136 10.168 3.068 1.00 0.00 C ATOM 1187 C SER A 73 -13.833 9.154 2.165 1.00 0.00 C ATOM 1188 O SER A 73 -14.816 9.473 1.497 1.00 0.00 O ATOM 1189 CB SER A 73 -12.422 11.220 2.216 1.00 0.00 C ATOM 1190 OG SER A 73 -12.001 12.317 3.009 1.00 0.00 O ATOM 0 H SER A 73 -11.209 9.699 3.746 1.00 0.00 H new ATOM 0 HA SER A 73 -13.890 10.659 3.683 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.559 10.770 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 73 -13.090 11.571 1.430 1.00 0.00 H new ATOM 0 HG SER A 73 -11.546 12.975 2.442 1.00 0.00 H new ATOM 1196 N VAL A 74 -13.315 7.930 2.151 1.00 0.00 N ATOM 1197 CA VAL A 74 -13.886 6.868 1.331 1.00 0.00 C ATOM 1198 C VAL A 74 -14.307 5.679 2.188 1.00 0.00 C ATOM 1199 O VAL A 74 -14.675 4.626 1.669 1.00 0.00 O ATOM 1200 CB VAL A 74 -12.889 6.387 0.261 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -12.340 7.567 -0.527 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -11.761 5.593 0.902 1.00 0.00 C ATOM 0 H VAL A 74 -12.501 7.649 2.698 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.763 7.286 0.837 1.00 0.00 H new ATOM 0 HB VAL A 74 -13.416 5.731 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.637 7.207 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -13.161 8.090 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.828 8.251 0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.066 5.261 0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.234 6.223 1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.174 4.725 1.417 1.00 0.00 H new ATOM 1212 N ARG A 75 -14.250 5.856 3.504 1.00 0.00 N ATOM 1213 CA ARG A 75 -14.625 4.798 4.434 1.00 0.00 C ATOM 1214 C ARG A 75 -16.109 4.464 4.310 1.00 0.00 C ATOM 1215 O ARG A 75 -16.493 3.336 4.000 1.00 0.00 O ATOM 1216 CB ARG A 75 -14.304 5.214 5.871 1.00 0.00 C ATOM 1217 CG ARG A 75 -12.943 4.740 6.353 1.00 0.00 C ATOM 1218 CD ARG A 75 -12.636 5.255 7.750 1.00 0.00 C ATOM 1219 NE ARG A 75 -13.440 4.585 8.769 1.00 0.00 N ATOM 1220 CZ ARG A 75 -14.670 4.964 9.101 1.00 0.00 C ATOM 1221 NH1 ARG A 75 -15.233 6.002 8.498 1.00 0.00 N ATOM 1222 NH2 ARG A 75 -15.338 4.304 10.038 1.00 0.00 N ATOM 0 H ARG A 75 -13.948 6.722 3.950 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.048 3.908 4.183 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.348 6.301 5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.073 4.819 6.535 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.915 3.650 6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.172 5.080 5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.578 5.106 7.967 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.822 6.328 7.790 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.036 3.783 9.252 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.722 6.512 7.777 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.177 6.291 8.755 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.908 3.505 10.504 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.282 4.595 10.292 1.00 0.00 H new ATOM 1236 N PRO A 76 -16.964 5.468 4.556 1.00 0.00 N ATOM 1237 CA PRO A 76 -18.418 5.306 4.478 1.00 0.00 C ATOM 1238 C PRO A 76 -18.904 5.115 3.045 1.00 0.00 C ATOM 1239 O PRO A 76 -20.089 4.886 2.807 1.00 0.00 O ATOM 1240 CB PRO A 76 -18.953 6.621 5.052 1.00 0.00 C ATOM 1241 CG PRO A 76 -17.863 7.608 4.817 1.00 0.00 C ATOM 1242 CD PRO A 76 -16.576 6.839 4.930 1.00 0.00 C ATOM 0 HA PRO A 76 -18.758 4.420 5.015 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -19.875 6.924 4.555 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -19.179 6.526 6.114 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -17.958 8.067 3.833 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.902 8.414 5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.811 7.236 4.263 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -16.171 6.880 5.941 1.00 0.00 H new ATOM 1250 N GLY A 77 -17.980 5.209 2.094 1.00 0.00 N ATOM 1251 CA GLY A 77 -18.334 5.043 0.697 1.00 0.00 C ATOM 1252 C GLY A 77 -18.198 3.607 0.231 1.00 0.00 C ATOM 1253 O GLY A 77 -18.851 3.193 -0.728 1.00 0.00 O ATOM 0 H GLY A 77 -16.992 5.397 2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -19.361 5.376 0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -17.697 5.682 0.086 1.00 0.00 H new ATOM 1257 N LEU A 78 -17.347 2.845 0.909 1.00 0.00 N ATOM 1258 CA LEU A 78 -17.126 1.446 0.558 1.00 0.00 C ATOM 1259 C LEU A 78 -17.209 0.555 1.794 1.00 0.00 C ATOM 1260 O LEU A 78 -16.248 0.438 2.554 1.00 0.00 O ATOM 1261 CB LEU A 78 -15.763 1.278 -0.115 1.00 0.00 C ATOM 1262 CG LEU A 78 -15.482 2.199 -1.303 1.00 0.00 C ATOM 1263 CD1 LEU A 78 -13.986 2.317 -1.545 1.00 0.00 C ATOM 1264 CD2 LEU A 78 -16.188 1.690 -2.551 1.00 0.00 C ATOM 0 H LEU A 78 -16.799 3.172 1.705 1.00 0.00 H new ATOM 0 HA LEU A 78 -17.908 1.144 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.988 1.438 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.672 0.245 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.870 3.190 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -13.806 2.976 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.505 2.729 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.573 1.331 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.977 2.358 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.831 0.688 -2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.263 1.659 -2.374 1.00 0.00 H new ATOM 1276 N LYS A 79 -18.364 -0.072 1.987 1.00 0.00 N ATOM 1277 CA LYS A 79 -18.574 -0.956 3.128 1.00 0.00 C ATOM 1278 C LYS A 79 -18.526 -2.419 2.699 1.00 0.00 C ATOM 1279 O LYS A 79 -17.618 -3.157 3.077 1.00 0.00 O ATOM 1280 CB LYS A 79 -19.918 -0.653 3.794 1.00 0.00 C ATOM 1281 CG LYS A 79 -20.250 0.828 3.846 1.00 0.00 C ATOM 1282 CD LYS A 79 -21.694 1.061 4.260 1.00 0.00 C ATOM 1283 CE LYS A 79 -22.168 2.453 3.869 1.00 0.00 C ATOM 1284 NZ LYS A 79 -23.646 2.587 3.984 1.00 0.00 N ATOM 0 H LYS A 79 -19.170 0.015 1.368 1.00 0.00 H new ATOM 0 HA LYS A 79 -17.772 -0.779 3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -20.708 -1.175 3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -19.909 -1.051 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -19.584 1.327 4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -20.074 1.276 2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -22.333 0.313 3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -21.790 0.932 5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -21.685 3.194 4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -21.862 2.667 2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -23.930 3.549 3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -24.107 1.897 3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -23.935 2.408 4.967 1.00 0.00 H new ATOM 1298 N ASN A 80 -19.509 -2.831 1.905 1.00 0.00 N ATOM 1299 CA ASN A 80 -19.578 -4.206 1.423 1.00 0.00 C ATOM 1300 C ASN A 80 -18.216 -4.675 0.922 1.00 0.00 C ATOM 1301 O ASN A 80 -17.735 -5.741 1.307 1.00 0.00 O ATOM 1302 CB ASN A 80 -20.615 -4.325 0.304 1.00 0.00 C ATOM 1303 CG ASN A 80 -21.998 -3.888 0.749 1.00 0.00 C ATOM 1304 OD1 ASN A 80 -22.666 -4.586 1.512 1.00 0.00 O ATOM 1305 ND2 ASN A 80 -22.433 -2.728 0.271 1.00 0.00 N ATOM 0 H ASN A 80 -20.269 -2.232 1.582 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.878 -4.842 2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -20.301 -3.718 -0.545 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -20.657 -5.358 -0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -23.356 -2.382 0.534 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -21.844 -2.183 -0.359 1.00 0.00 H new ATOM 1312 N CYS A 81 -17.600 -3.873 0.061 1.00 0.00 N ATOM 1313 CA CYS A 81 -16.293 -4.206 -0.494 1.00 0.00 C ATOM 1314 C CYS A 81 -15.193 -3.995 0.541 1.00 0.00 C ATOM 1315 O CYS A 81 -14.752 -2.871 0.774 1.00 0.00 O ATOM 1316 CB CYS A 81 -16.011 -3.357 -1.735 1.00 0.00 C ATOM 1317 SG CYS A 81 -16.730 -4.015 -3.258 1.00 0.00 S ATOM 0 H CYS A 81 -17.985 -2.987 -0.268 1.00 0.00 H new ATOM 0 HA CYS A 81 -16.304 -5.259 -0.777 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -16.396 -2.351 -1.569 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -14.932 -3.268 -1.864 1.00 0.00 H new ATOM 0 HG CYS A 81 -15.784 -4.254 -4.117 1.00 0.00 H new ATOM 1323 N GLY A 82 -14.755 -5.087 1.162 1.00 0.00 N ATOM 1324 CA GLY A 82 -13.711 -5.000 2.167 1.00 0.00 C ATOM 1325 C GLY A 82 -14.117 -4.148 3.352 1.00 0.00 C ATOM 1326 O GLY A 82 -15.304 -3.902 3.572 1.00 0.00 O ATOM 0 H GLY A 82 -15.104 -6.029 0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.460 -6.003 2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.810 -4.584 1.716 1.00 0.00 H new ATOM 1330 N ASP A 83 -13.131 -3.696 4.119 1.00 0.00 N ATOM 1331 CA ASP A 83 -13.392 -2.866 5.290 1.00 0.00 C ATOM 1332 C ASP A 83 -12.223 -1.924 5.560 1.00 0.00 C ATOM 1333 O ASP A 83 -11.233 -1.920 4.827 1.00 0.00 O ATOM 1334 CB ASP A 83 -13.651 -3.743 6.516 1.00 0.00 C ATOM 1335 CG ASP A 83 -12.613 -4.837 6.674 1.00 0.00 C ATOM 1336 OD1 ASP A 83 -11.515 -4.701 6.095 1.00 0.00 O ATOM 1337 OD2 ASP A 83 -12.899 -5.829 7.378 1.00 0.00 O ATOM 0 H ASP A 83 -12.144 -3.890 3.951 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.279 -2.266 5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -13.657 -3.120 7.410 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -14.640 -4.194 6.435 1.00 0.00 H new ATOM 1342 N VAL A 84 -12.343 -1.127 6.616 1.00 0.00 N ATOM 1343 CA VAL A 84 -11.297 -0.181 6.983 1.00 0.00 C ATOM 1344 C VAL A 84 -9.915 -0.814 6.860 1.00 0.00 C ATOM 1345 O VAL A 84 -8.999 -0.223 6.291 1.00 0.00 O ATOM 1346 CB VAL A 84 -11.486 0.336 8.422 1.00 0.00 C ATOM 1347 CG1 VAL A 84 -11.418 -0.814 9.415 1.00 0.00 C ATOM 1348 CG2 VAL A 84 -10.445 1.396 8.749 1.00 0.00 C ATOM 0 H VAL A 84 -13.155 -1.118 7.233 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.373 0.658 6.291 1.00 0.00 H new ATOM 0 HB VAL A 84 -12.472 0.793 8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.553 -0.430 10.426 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.205 -1.534 9.192 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.447 -1.303 9.340 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.594 1.750 9.769 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.447 0.967 8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.547 2.232 8.057 1.00 0.00 H new ATOM 1358 N ASN A 85 -9.774 -2.022 7.397 1.00 0.00 N ATOM 1359 CA ASN A 85 -8.504 -2.736 7.347 1.00 0.00 C ATOM 1360 C ASN A 85 -7.934 -2.735 5.932 1.00 0.00 C ATOM 1361 O ASN A 85 -6.810 -2.284 5.705 1.00 0.00 O ATOM 1362 CB ASN A 85 -8.685 -4.176 7.835 1.00 0.00 C ATOM 1363 CG ASN A 85 -9.265 -4.243 9.235 1.00 0.00 C ATOM 1364 OD1 ASN A 85 -9.759 -3.247 9.763 1.00 0.00 O ATOM 1365 ND2 ASN A 85 -9.206 -5.422 9.843 1.00 0.00 N ATOM 0 H ASN A 85 -10.523 -2.526 7.871 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.801 -2.222 8.003 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.340 -4.710 7.147 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.722 -4.686 7.819 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.579 -5.529 10.786 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.787 -6.221 9.367 1.00 0.00 H new ATOM 1372 N CYS A 86 -8.716 -3.241 4.985 1.00 0.00 N ATOM 1373 CA CYS A 86 -8.289 -3.299 3.591 1.00 0.00 C ATOM 1374 C CYS A 86 -8.122 -1.897 3.016 1.00 0.00 C ATOM 1375 O CYS A 86 -7.098 -1.583 2.408 1.00 0.00 O ATOM 1376 CB CYS A 86 -9.301 -4.088 2.759 1.00 0.00 C ATOM 1377 SG CYS A 86 -9.244 -3.724 0.989 1.00 0.00 S ATOM 0 H CYS A 86 -9.649 -3.617 5.157 1.00 0.00 H new ATOM 0 HA CYS A 86 -7.325 -3.805 3.552 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -9.124 -5.153 2.906 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -10.304 -3.877 3.130 1.00 0.00 H new ATOM 0 HG CYS A 86 -8.517 -4.617 0.386 1.00 0.00 H new ATOM 1383 N ILE A 87 -9.134 -1.058 3.210 1.00 0.00 N ATOM 1384 CA ILE A 87 -9.099 0.310 2.709 1.00 0.00 C ATOM 1385 C ILE A 87 -7.725 0.937 2.919 1.00 0.00 C ATOM 1386 O ILE A 87 -7.090 1.398 1.972 1.00 0.00 O ATOM 1387 CB ILE A 87 -10.162 1.188 3.396 1.00 0.00 C ATOM 1388 CG1 ILE A 87 -11.566 0.672 3.075 1.00 0.00 C ATOM 1389 CG2 ILE A 87 -10.013 2.638 2.961 1.00 0.00 C ATOM 1390 CD1 ILE A 87 -12.638 1.227 3.987 1.00 0.00 C ATOM 0 H ILE A 87 -9.988 -1.302 3.711 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.314 0.261 1.642 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.013 1.135 4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -11.811 0.926 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.569 -0.416 3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.771 3.246 3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.022 3.000 3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.139 2.708 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.607 0.818 3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -12.418 0.950 5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.663 2.313 3.900 1.00 0.00 H new ATOM 1402 N GLY A 88 -7.271 0.950 4.169 1.00 0.00 N ATOM 1403 CA GLY A 88 -5.974 1.521 4.481 1.00 0.00 C ATOM 1404 C GLY A 88 -4.872 0.976 3.595 1.00 0.00 C ATOM 1405 O GLY A 88 -4.032 1.730 3.104 1.00 0.00 O ATOM 0 H GLY A 88 -7.778 0.575 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.022 2.604 4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.732 1.317 5.524 1.00 0.00 H new ATOM 1409 N ARG A 89 -4.874 -0.337 3.391 1.00 0.00 N ATOM 1410 CA ARG A 89 -3.865 -0.983 2.560 1.00 0.00 C ATOM 1411 C ARG A 89 -3.840 -0.372 1.162 1.00 0.00 C ATOM 1412 O ARG A 89 -2.804 0.111 0.703 1.00 0.00 O ATOM 1413 CB ARG A 89 -4.135 -2.485 2.467 1.00 0.00 C ATOM 1414 CG ARG A 89 -3.889 -3.230 3.769 1.00 0.00 C ATOM 1415 CD ARG A 89 -3.449 -4.663 3.516 1.00 0.00 C ATOM 1416 NE ARG A 89 -2.798 -5.250 4.685 1.00 0.00 N ATOM 1417 CZ ARG A 89 -1.934 -6.257 4.617 1.00 0.00 C ATOM 1418 NH1 ARG A 89 -1.619 -6.786 3.443 1.00 0.00 N ATOM 1419 NH2 ARG A 89 -1.384 -6.737 5.725 1.00 0.00 N ATOM 0 H ARG A 89 -5.563 -0.975 3.790 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.892 -0.824 3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.169 -2.641 2.159 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.502 -2.912 1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.125 -2.711 4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.800 -3.228 4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.315 -5.265 3.243 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.764 -4.688 2.669 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.019 -4.866 5.604 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.040 -6.420 2.589 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.955 -7.559 3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.624 -6.333 6.630 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.721 -7.510 5.672 1.00 0.00 H new ATOM 1433 N ILE A 90 -4.986 -0.398 0.490 1.00 0.00 N ATOM 1434 CA ILE A 90 -5.095 0.154 -0.855 1.00 0.00 C ATOM 1435 C ILE A 90 -4.764 1.642 -0.867 1.00 0.00 C ATOM 1436 O ILE A 90 -3.814 2.072 -1.523 1.00 0.00 O ATOM 1437 CB ILE A 90 -6.507 -0.051 -1.434 1.00 0.00 C ATOM 1438 CG1 ILE A 90 -6.940 -1.510 -1.277 1.00 0.00 C ATOM 1439 CG2 ILE A 90 -6.545 0.363 -2.898 1.00 0.00 C ATOM 1440 CD1 ILE A 90 -8.295 -1.807 -1.881 1.00 0.00 C ATOM 0 H ILE A 90 -5.852 -0.795 0.855 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.375 -0.381 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.205 0.577 -0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.194 -2.154 -1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.961 -1.762 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.550 0.212 -3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.275 1.415 -2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.838 -0.242 -3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.537 -2.859 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.052 -1.189 -1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.274 -1.587 -2.948 1.00 0.00 H new ATOM 1452 N HIS A 91 -5.552 2.425 -0.137 1.00 0.00 N ATOM 1453 CA HIS A 91 -5.341 3.866 -0.062 1.00 0.00 C ATOM 1454 C HIS A 91 -3.878 4.186 0.230 1.00 0.00 C ATOM 1455 O HIS A 91 -3.218 4.885 -0.540 1.00 0.00 O ATOM 1456 CB HIS A 91 -6.234 4.478 1.018 1.00 0.00 C ATOM 1457 CG HIS A 91 -6.456 5.949 0.848 1.00 0.00 C ATOM 1458 ND1 HIS A 91 -5.591 6.903 1.342 1.00 0.00 N ATOM 1459 CD2 HIS A 91 -7.452 6.629 0.233 1.00 0.00 C ATOM 1460 CE1 HIS A 91 -6.046 8.106 1.040 1.00 0.00 C ATOM 1461 NE2 HIS A 91 -7.174 7.968 0.367 1.00 0.00 N ATOM 0 H HIS A 91 -6.343 2.086 0.411 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.604 4.298 -1.028 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.198 3.970 1.011 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.785 4.297 1.995 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -4.734 6.710 1.860 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.306 6.199 -0.269 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.576 9.043 1.299 1.00 0.00 H new ATOM 1469 N THR A 92 -3.375 3.671 1.348 1.00 0.00 N ATOM 1470 CA THR A 92 -1.992 3.903 1.742 1.00 0.00 C ATOM 1471 C THR A 92 -1.038 3.648 0.580 1.00 0.00 C ATOM 1472 O THR A 92 -0.431 4.577 0.048 1.00 0.00 O ATOM 1473 CB THR A 92 -1.588 3.007 2.928 1.00 0.00 C ATOM 1474 OG1 THR A 92 -2.388 3.321 4.074 1.00 0.00 O ATOM 1475 CG2 THR A 92 -0.116 3.189 3.267 1.00 0.00 C ATOM 0 H THR A 92 -3.906 3.090 1.997 1.00 0.00 H new ATOM 0 HA THR A 92 -1.921 4.948 2.044 1.00 0.00 H new ATOM 0 HB THR A 92 -1.754 1.968 2.643 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.167 2.726 4.102 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.146 2.546 4.107 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.492 2.922 2.403 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.070 4.229 3.534 1.00 0.00 H new ATOM 1483 N TYR A 93 -0.912 2.384 0.191 1.00 0.00 N ATOM 1484 CA TYR A 93 -0.031 2.007 -0.908 1.00 0.00 C ATOM 1485 C TYR A 93 -0.087 3.039 -2.030 1.00 0.00 C ATOM 1486 O TYR A 93 0.893 3.733 -2.302 1.00 0.00 O ATOM 1487 CB TYR A 93 -0.416 0.629 -1.448 1.00 0.00 C ATOM 1488 CG TYR A 93 0.225 0.299 -2.777 1.00 0.00 C ATOM 1489 CD1 TYR A 93 1.607 0.234 -2.907 1.00 0.00 C ATOM 1490 CD2 TYR A 93 -0.551 0.053 -3.903 1.00 0.00 C ATOM 1491 CE1 TYR A 93 2.197 -0.067 -4.120 1.00 0.00 C ATOM 1492 CE2 TYR A 93 0.030 -0.250 -5.119 1.00 0.00 C ATOM 1493 CZ TYR A 93 1.404 -0.308 -5.222 1.00 0.00 C ATOM 1494 OH TYR A 93 1.987 -0.608 -6.432 1.00 0.00 O ATOM 0 H TYR A 93 -1.409 1.603 0.620 1.00 0.00 H new ATOM 0 HA TYR A 93 0.989 1.968 -0.525 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.132 -0.130 -0.719 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.500 0.579 -1.554 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.231 0.422 -2.045 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.627 0.100 -3.826 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.273 -0.113 -4.204 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.588 -0.440 -5.984 1.00 0.00 H new ATOM 0 HH TYR A 93 2.500 -1.439 -6.351 1.00 0.00 H new ATOM 1504 N LEU A 94 -1.243 3.135 -2.679 1.00 0.00 N ATOM 1505 CA LEU A 94 -1.430 4.083 -3.772 1.00 0.00 C ATOM 1506 C LEU A 94 -0.804 5.433 -3.436 1.00 0.00 C ATOM 1507 O LEU A 94 -0.311 6.135 -4.318 1.00 0.00 O ATOM 1508 CB LEU A 94 -2.920 4.259 -4.071 1.00 0.00 C ATOM 1509 CG LEU A 94 -3.668 3.002 -4.516 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -5.125 3.068 -4.087 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -3.561 2.824 -6.024 1.00 0.00 C ATOM 0 H LEU A 94 -2.064 2.568 -2.467 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.933 3.683 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.406 4.649 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.027 5.016 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.208 2.139 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.641 2.165 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.181 3.147 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.598 3.940 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.099 1.925 -6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.995 3.690 -6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.512 2.730 -6.306 1.00 0.00 H new ATOM 1523 N GLU A 95 -0.826 5.787 -2.155 1.00 0.00 N ATOM 1524 CA GLU A 95 -0.260 7.052 -1.703 1.00 0.00 C ATOM 1525 C GLU A 95 1.261 6.964 -1.608 1.00 0.00 C ATOM 1526 O GLU A 95 1.967 7.945 -1.848 1.00 0.00 O ATOM 1527 CB GLU A 95 -0.845 7.442 -0.344 1.00 0.00 C ATOM 1528 CG GLU A 95 -0.493 8.856 0.087 1.00 0.00 C ATOM 1529 CD GLU A 95 0.808 8.923 0.863 1.00 0.00 C ATOM 1530 OE1 GLU A 95 1.534 7.908 0.893 1.00 0.00 O ATOM 1531 OE2 GLU A 95 1.100 9.992 1.440 1.00 0.00 O ATOM 0 H GLU A 95 -1.229 5.216 -1.412 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.518 7.818 -2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.930 7.342 -0.383 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.487 6.741 0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.419 9.493 -0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.299 9.256 0.702 1.00 0.00 H new ATOM 1538 N LEU A 96 1.758 5.784 -1.257 1.00 0.00 N ATOM 1539 CA LEU A 96 3.195 5.566 -1.129 1.00 0.00 C ATOM 1540 C LEU A 96 3.871 5.579 -2.497 1.00 0.00 C ATOM 1541 O LEU A 96 5.044 5.935 -2.617 1.00 0.00 O ATOM 1542 CB LEU A 96 3.469 4.237 -0.425 1.00 0.00 C ATOM 1543 CG LEU A 96 2.749 4.022 0.907 1.00 0.00 C ATOM 1544 CD1 LEU A 96 3.117 2.671 1.501 1.00 0.00 C ATOM 1545 CD2 LEU A 96 3.082 5.143 1.880 1.00 0.00 C ATOM 0 H LEU A 96 1.188 4.963 -1.056 1.00 0.00 H new ATOM 0 HA LEU A 96 3.609 6.378 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.192 3.427 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.542 4.155 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 96 1.675 4.034 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.595 2.536 2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.827 1.879 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.193 2.629 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.561 4.974 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.157 5.163 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.767 6.097 1.458 1.00 0.00 H new ATOM 1557 N ILE A 97 3.124 5.191 -3.524 1.00 0.00 N ATOM 1558 CA ILE A 97 3.650 5.161 -4.883 1.00 0.00 C ATOM 1559 C ILE A 97 3.457 6.504 -5.577 1.00 0.00 C ATOM 1560 O ILE A 97 4.116 6.801 -6.572 1.00 0.00 O ATOM 1561 CB ILE A 97 2.977 4.060 -5.724 1.00 0.00 C ATOM 1562 CG1 ILE A 97 1.461 4.083 -5.514 1.00 0.00 C ATOM 1563 CG2 ILE A 97 3.546 2.696 -5.363 1.00 0.00 C ATOM 1564 CD1 ILE A 97 0.704 3.195 -6.477 1.00 0.00 C ATOM 0 H ILE A 97 2.152 4.893 -3.441 1.00 0.00 H new ATOM 0 HA ILE A 97 4.716 4.945 -4.803 1.00 0.00 H new ATOM 0 HB ILE A 97 3.182 4.251 -6.777 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.239 3.771 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.103 5.107 -5.619 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.061 1.928 -5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.618 2.686 -5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.367 2.495 -4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.364 3.261 -6.270 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.896 3.520 -7.499 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.034 2.163 -6.356 1.00 0.00 H new ATOM 1576 N GLY A 98 2.548 7.315 -5.043 1.00 0.00 N ATOM 1577 CA GLY A 98 2.285 8.619 -5.623 1.00 0.00 C ATOM 1578 C GLY A 98 0.981 8.657 -6.396 1.00 0.00 C ATOM 1579 O GLY A 98 0.367 9.714 -6.539 1.00 0.00 O ATOM 0 H GLY A 98 1.989 7.092 -4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.256 9.367 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.106 8.890 -6.287 1.00 0.00 H new ATOM 1583 N ALA A 99 0.559 7.502 -6.899 1.00 0.00 N ATOM 1584 CA ALA A 99 -0.680 7.407 -7.661 1.00 0.00 C ATOM 1585 C ALA A 99 -1.724 8.386 -7.135 1.00 0.00 C ATOM 1586 O ALA A 99 -2.517 8.933 -7.902 1.00 0.00 O ATOM 1587 CB ALA A 99 -1.218 5.985 -7.620 1.00 0.00 C ATOM 0 H ALA A 99 1.057 6.618 -6.793 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.462 7.670 -8.696 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.143 5.929 -8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.483 5.305 -8.051 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.414 5.700 -6.586 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.719 8.602 -5.824 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.666 9.515 -5.197 1.00 0.00 C ATOM 1595 C ILE A 100 -1.984 10.368 -4.132 1.00 0.00 C ATOM 1596 O ILE A 100 -1.091 9.901 -3.427 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.841 8.754 -4.555 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.322 7.724 -3.550 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.684 8.079 -5.627 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.353 7.305 -2.526 1.00 0.00 C ATOM 0 H ILE A 100 -1.069 8.157 -5.176 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.051 10.162 -5.986 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.469 9.468 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.980 6.842 -4.091 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.456 8.137 -3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.510 7.545 -5.158 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.079 8.833 -6.308 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.067 7.374 -6.185 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.915 6.574 -1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.678 8.177 -1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.210 6.862 -3.033 1.00 0.00 H new ATOM 1612 N ASN A 101 -2.414 11.620 -4.020 1.00 0.00 N ATOM 1613 CA ASN A 101 -1.847 12.539 -3.040 1.00 0.00 C ATOM 1614 C ASN A 101 -0.333 12.641 -3.203 1.00 0.00 C ATOM 1615 O ASN A 101 0.418 12.495 -2.238 1.00 0.00 O ATOM 1616 CB ASN A 101 -2.188 12.078 -1.621 1.00 0.00 C ATOM 1617 CG ASN A 101 -3.632 11.633 -1.489 1.00 0.00 C ATOM 1618 OD1 ASN A 101 -4.509 12.115 -2.206 1.00 0.00 O ATOM 1619 ND2 ASN A 101 -3.884 10.709 -0.569 1.00 0.00 N ATOM 0 H ASN A 101 -3.154 12.022 -4.596 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.281 13.525 -3.209 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.530 11.255 -1.341 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.996 12.892 -0.922 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.837 10.370 -0.434 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.125 10.338 0.003 1.00 0.00 H new ATOM 1626 N PHE A 102 0.108 12.894 -4.430 1.00 0.00 N ATOM 1627 CA PHE A 102 1.532 13.016 -4.721 1.00 0.00 C ATOM 1628 C PHE A 102 2.084 14.336 -4.192 1.00 0.00 C ATOM 1629 O PHE A 102 1.442 15.380 -4.304 1.00 0.00 O ATOM 1630 CB PHE A 102 1.777 12.915 -6.228 1.00 0.00 C ATOM 1631 CG PHE A 102 3.217 13.096 -6.614 1.00 0.00 C ATOM 1632 CD1 PHE A 102 4.169 12.156 -6.254 1.00 0.00 C ATOM 1633 CD2 PHE A 102 3.619 14.207 -7.338 1.00 0.00 C ATOM 1634 CE1 PHE A 102 5.495 12.319 -6.608 1.00 0.00 C ATOM 1635 CE2 PHE A 102 4.944 14.376 -7.696 1.00 0.00 C ATOM 1636 CZ PHE A 102 5.883 13.431 -7.329 1.00 0.00 C ATOM 0 H PHE A 102 -0.500 13.019 -5.239 1.00 0.00 H new ATOM 0 HA PHE A 102 2.051 12.199 -4.220 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.434 11.942 -6.579 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.175 13.668 -6.737 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.871 11.285 -5.690 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.889 14.949 -7.626 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.226 11.578 -6.321 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.245 15.246 -8.262 1.00 0.00 H new ATOM 0 HZ PHE A 102 6.919 13.562 -7.606 1.00 0.00 H new ATOM 1646 N GLY A 103 3.280 14.282 -3.614 1.00 0.00 N ATOM 1647 CA GLY A 103 3.899 15.479 -3.076 1.00 0.00 C ATOM 1648 C GLY A 103 2.905 16.377 -2.367 1.00 0.00 C ATOM 1649 O GLY A 103 2.697 17.523 -2.767 1.00 0.00 O ATOM 0 H GLY A 103 3.831 13.430 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.688 15.195 -2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.373 16.034 -3.885 1.00 0.00 H new ATOM 1653 N CYS A 104 2.287 15.856 -1.313 1.00 0.00 N ATOM 1654 CA CYS A 104 1.306 16.618 -0.547 1.00 0.00 C ATOM 1655 C CYS A 104 1.631 16.580 0.943 1.00 0.00 C ATOM 1656 O CYS A 104 1.581 15.523 1.571 1.00 0.00 O ATOM 1657 CB CYS A 104 -0.100 16.068 -0.790 1.00 0.00 C ATOM 1658 SG CYS A 104 -0.906 16.729 -2.267 1.00 0.00 S ATOM 0 H CYS A 104 2.447 14.909 -0.969 1.00 0.00 H new ATOM 0 HA CYS A 104 1.345 17.655 -0.882 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -0.044 14.983 -0.874 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.720 16.289 0.079 1.00 0.00 H new ATOM 0 HG CYS A 104 -0.217 16.403 -3.320 1.00 0.00 H new ATOM 1664 N GLU A 105 1.963 17.740 1.501 1.00 0.00 N ATOM 1665 CA GLU A 105 2.298 17.837 2.916 1.00 0.00 C ATOM 1666 C GLU A 105 1.470 16.855 3.740 1.00 0.00 C ATOM 1667 O GLU A 105 1.949 16.302 4.730 1.00 0.00 O ATOM 1668 CB GLU A 105 2.069 19.263 3.421 1.00 0.00 C ATOM 1669 CG GLU A 105 2.663 20.331 2.517 1.00 0.00 C ATOM 1670 CD GLU A 105 2.795 21.674 3.210 1.00 0.00 C ATOM 1671 OE1 GLU A 105 1.789 22.410 3.275 1.00 0.00 O ATOM 1672 OE2 GLU A 105 3.906 21.987 3.687 1.00 0.00 O ATOM 0 H GLU A 105 2.007 18.625 0.995 1.00 0.00 H new ATOM 0 HA GLU A 105 3.352 17.583 3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.998 19.437 3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.501 19.361 4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.645 20.006 2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.036 20.443 1.632 1.00 0.00 H new ATOM 1679 N GLN A 106 0.225 16.646 3.324 1.00 0.00 N ATOM 1680 CA GLN A 106 -0.670 15.732 4.024 1.00 0.00 C ATOM 1681 C GLN A 106 -0.430 14.291 3.585 1.00 0.00 C ATOM 1682 O GLN A 106 -1.372 13.516 3.424 1.00 0.00 O ATOM 1683 CB GLN A 106 -2.128 16.119 3.770 1.00 0.00 C ATOM 1684 CG GLN A 106 -2.527 17.440 4.407 1.00 0.00 C ATOM 1685 CD GLN A 106 -2.159 18.636 3.550 1.00 0.00 C ATOM 1686 OE1 GLN A 106 -1.422 19.521 3.983 1.00 0.00 O ATOM 1687 NE2 GLN A 106 -2.673 18.667 2.326 1.00 0.00 N ATOM 0 H GLN A 106 -0.186 17.097 2.507 1.00 0.00 H new ATOM 0 HA GLN A 106 -0.462 15.806 5.091 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.297 16.178 2.695 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.776 15.330 4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.602 17.443 4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.042 17.531 5.379 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -3.280 17.911 2.008 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.461 19.447 1.703 1.00 0.00 H new ATOM 1696 N ALA A 107 0.837 13.940 3.392 1.00 0.00 N ATOM 1697 CA ALA A 107 1.201 12.592 2.972 1.00 0.00 C ATOM 1698 C ALA A 107 1.590 11.732 4.169 1.00 0.00 C ATOM 1699 O ALA A 107 2.294 12.186 5.071 1.00 0.00 O ATOM 1700 CB ALA A 107 2.339 12.642 1.963 1.00 0.00 C ATOM 0 H ALA A 107 1.629 14.570 3.520 1.00 0.00 H new ATOM 0 HA ALA A 107 0.331 12.138 2.498 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.600 11.628 1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.026 13.214 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 107 3.207 13.119 2.417 1.00 0.00 H new ATOM 1706 N VAL A 108 1.128 10.485 4.172 1.00 0.00 N ATOM 1707 CA VAL A 108 1.428 9.561 5.258 1.00 0.00 C ATOM 1708 C VAL A 108 2.933 9.421 5.461 1.00 0.00 C ATOM 1709 O VAL A 108 3.400 9.174 6.573 1.00 0.00 O ATOM 1710 CB VAL A 108 0.826 8.168 4.993 1.00 0.00 C ATOM 1711 CG1 VAL A 108 1.401 7.571 3.717 1.00 0.00 C ATOM 1712 CG2 VAL A 108 1.069 7.248 6.179 1.00 0.00 C ATOM 0 H VAL A 108 0.544 10.092 3.434 1.00 0.00 H new ATOM 0 HA VAL A 108 0.979 9.977 6.160 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.251 8.276 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.964 6.587 3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.169 8.222 2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.482 7.476 3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.637 6.268 5.974 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.141 7.144 6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.603 7.671 7.069 1.00 0.00 H new ATOM 1722 N TYR A 109 3.687 9.581 4.379 1.00 0.00 N ATOM 1723 CA TYR A 109 5.140 9.471 4.437 1.00 0.00 C ATOM 1724 C TYR A 109 5.773 10.809 4.806 1.00 0.00 C ATOM 1725 O TYR A 109 6.727 10.864 5.581 1.00 0.00 O ATOM 1726 CB TYR A 109 5.689 8.987 3.095 1.00 0.00 C ATOM 1727 CG TYR A 109 5.155 9.757 1.908 1.00 0.00 C ATOM 1728 CD1 TYR A 109 5.676 10.999 1.569 1.00 0.00 C ATOM 1729 CD2 TYR A 109 4.127 9.242 1.127 1.00 0.00 C ATOM 1730 CE1 TYR A 109 5.191 11.706 0.486 1.00 0.00 C ATOM 1731 CE2 TYR A 109 3.636 9.942 0.042 1.00 0.00 C ATOM 1732 CZ TYR A 109 4.171 11.173 -0.274 1.00 0.00 C ATOM 1733 OH TYR A 109 3.684 11.874 -1.354 1.00 0.00 O ATOM 0 H TYR A 109 3.316 9.787 3.451 1.00 0.00 H new ATOM 0 HA TYR A 109 5.394 8.745 5.209 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.776 9.064 3.108 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.446 7.932 2.972 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.474 11.419 2.163 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.705 8.279 1.372 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.608 12.670 0.236 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.838 9.527 -0.555 1.00 0.00 H new ATOM 0 HH TYR A 109 2.969 11.359 -1.783 1.00 0.00 H new ATOM 1743 N ASN A 110 5.234 11.886 4.245 1.00 0.00 N ATOM 1744 CA ASN A 110 5.745 13.226 4.514 1.00 0.00 C ATOM 1745 C ASN A 110 5.986 13.426 6.007 1.00 0.00 C ATOM 1746 O ASN A 110 7.061 13.863 6.419 1.00 0.00 O ATOM 1747 CB ASN A 110 4.765 14.281 3.997 1.00 0.00 C ATOM 1748 CG ASN A 110 5.461 15.564 3.586 1.00 0.00 C ATOM 1749 OD1 ASN A 110 6.224 16.145 4.358 1.00 0.00 O ATOM 1750 ND2 ASN A 110 5.201 16.012 2.363 1.00 0.00 N ATOM 0 H ASN A 110 4.443 11.858 3.601 1.00 0.00 H new ATOM 0 HA ASN A 110 6.696 13.338 3.993 1.00 0.00 H new ATOM 0 HB2 ASN A 110 4.218 13.878 3.144 1.00 0.00 H new ATOM 0 HB3 ASN A 110 4.030 14.501 4.772 1.00 0.00 H new ATOM 0 HD21 ASN A 110 5.641 16.870 2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 110 4.562 15.498 1.757 1.00 0.00 H new ATOM 1757 N ARG A 111 4.979 13.103 6.812 1.00 0.00 N ATOM 1758 CA ARG A 111 5.082 13.248 8.259 1.00 0.00 C ATOM 1759 C ARG A 111 5.957 12.150 8.855 1.00 0.00 C ATOM 1760 O ARG A 111 6.722 12.391 9.789 1.00 0.00 O ATOM 1761 CB ARG A 111 3.691 13.209 8.896 1.00 0.00 C ATOM 1762 CG ARG A 111 3.068 11.823 8.913 1.00 0.00 C ATOM 1763 CD ARG A 111 1.703 11.834 9.582 1.00 0.00 C ATOM 1764 NE ARG A 111 1.798 11.629 11.025 1.00 0.00 N ATOM 1765 CZ ARG A 111 0.742 11.522 11.824 1.00 0.00 C ATOM 1766 NH1 ARG A 111 -0.483 11.600 11.323 1.00 0.00 N ATOM 1767 NH2 ARG A 111 0.911 11.337 13.127 1.00 0.00 N ATOM 0 H ARG A 111 4.083 12.739 6.487 1.00 0.00 H new ATOM 0 HA ARG A 111 5.545 14.212 8.471 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.758 13.580 9.919 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.033 13.887 8.353 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.971 11.454 7.892 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.727 11.133 9.440 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.210 12.785 9.383 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.079 11.054 9.145 1.00 0.00 H new ATOM 0 HE ARG A 111 2.726 11.564 11.442 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -0.616 11.742 10.322 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -1.292 11.517 11.939 1.00 0.00 H new ATOM 0 HH21 ARG A 111 1.852 11.277 13.516 1.00 0.00 H new ATOM 0 HH22 ARG A 111 0.100 11.255 13.740 1.00 0.00 H new