USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 THR OG1 : rot 33:sc= 0.0586 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0847 X(o=-0.085,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.8 USER MOD Single : A 34 LYS NZ :NH3+ -148:sc= -0.0214 (180deg=-1.12) USER MOD Single : A 35 GLN : amide:sc= -0.0392 K(o=-0.039,f=-0.59) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 38 GLN : amide:sc= -0.0255 X(o=-0.025,f=-0.31) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc=-0.00969 (180deg=-0.155) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 47 GLN : amide:sc= -0.0132 X(o=-0.013,f=-0.11) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 33:sc= 0.203 USER MOD Single : A 68 ASN : amide:sc= -0.792 X(o=-0.79,f=-0.65) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 72 GLN : amide:sc= -0.124 K(o=-0.12,f=-1) USER MOD Single : A 73 THR OG1 : rot -67:sc= 0.441 USER MOD Single : A 74 MET CE :methyl -105:sc= -0.626 (180deg=-2.12) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -10:sc= -0.912 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -20:sc= 0.322 USER MOD Single : A 93 SER OG : rot 36:sc= 0.0625 USER MOD Single : A 94 MET CE :methyl -132:sc= -2.84! (180deg=-8.67!) USER MOD Single : A 95 CYS SG : rot -104:sc= -0.619! USER MOD Single : A 99 HIS : no HE2:sc= -3.46! C(o=-3.5!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 168 N THR A 15 -9.308 7.011 11.674 1.00 0.00 N ATOM 169 CA THR A 15 -8.200 6.880 10.736 1.00 0.00 C ATOM 170 C THR A 15 -7.445 5.575 10.955 1.00 0.00 C ATOM 171 O THR A 15 -7.074 5.242 12.081 1.00 0.00 O ATOM 172 CB THR A 15 -7.215 8.058 10.861 1.00 0.00 C ATOM 173 OG1 THR A 15 -7.893 9.293 10.606 1.00 0.00 O ATOM 174 CG2 THR A 15 -6.056 7.899 9.889 1.00 0.00 C ATOM 0 HA THR A 15 -8.632 6.882 9.735 1.00 0.00 H new ATOM 0 HB THR A 15 -6.818 8.065 11.876 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.819 9.228 10.919 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.374 8.742 9.995 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.524 6.972 10.105 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.438 7.868 8.869 1.00 0.00 H new ATOM 182 N LYS A 16 -7.219 4.838 9.873 1.00 0.00 N ATOM 183 CA LYS A 16 -6.505 3.568 9.947 1.00 0.00 C ATOM 184 C LYS A 16 -5.041 3.744 9.557 1.00 0.00 C ATOM 185 O LYS A 16 -4.712 4.563 8.699 1.00 0.00 O ATOM 186 CB LYS A 16 -7.167 2.534 9.032 1.00 0.00 C ATOM 187 CG LYS A 16 -8.527 2.070 9.523 1.00 0.00 C ATOM 188 CD LYS A 16 -8.408 1.224 10.779 1.00 0.00 C ATOM 189 CE LYS A 16 -9.769 0.750 11.263 1.00 0.00 C ATOM 190 NZ LYS A 16 -9.678 0.040 12.569 1.00 0.00 N ATOM 0 H LYS A 16 -7.520 5.098 8.934 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.548 3.214 10.977 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.276 2.961 8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.509 1.670 8.939 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.157 2.936 9.725 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.020 1.493 8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.771 0.362 10.579 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.923 1.803 11.565 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.438 1.605 11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.208 0.086 10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.627 -0.267 12.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.060 -0.791 12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.283 0.681 13.286 1.00 0.00 H new ATOM 204 N GLU A 17 -4.167 2.969 10.192 1.00 0.00 N ATOM 205 CA GLU A 17 -2.738 3.040 9.911 1.00 0.00 C ATOM 206 C GLU A 17 -2.172 1.654 9.618 1.00 0.00 C ATOM 207 O GLU A 17 -2.809 0.638 9.899 1.00 0.00 O ATOM 208 CB GLU A 17 -1.994 3.668 11.091 1.00 0.00 C ATOM 209 CG GLU A 17 -2.448 5.081 11.414 1.00 0.00 C ATOM 210 CD GLU A 17 -3.760 5.112 12.174 1.00 0.00 C ATOM 211 OE1 GLU A 17 -3.839 4.478 13.247 1.00 0.00 O ATOM 212 OE2 GLU A 17 -4.708 5.771 11.697 1.00 0.00 O ATOM 0 H GLU A 17 -4.424 2.285 10.904 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.598 3.665 9.029 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.132 3.041 11.972 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.926 3.680 10.872 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.679 5.580 12.004 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.556 5.645 10.487 1.00 0.00 H new ATOM 219 N LEU A 18 -0.971 1.620 9.050 1.00 0.00 N ATOM 220 CA LEU A 18 -0.318 0.358 8.718 1.00 0.00 C ATOM 221 C LEU A 18 1.199 0.516 8.714 1.00 0.00 C ATOM 222 O LEU A 18 1.740 1.407 8.060 1.00 0.00 O ATOM 223 CB LEU A 18 -0.794 -0.141 7.352 1.00 0.00 C ATOM 224 CG LEU A 18 -0.803 -1.658 7.158 1.00 0.00 C ATOM 225 CD1 LEU A 18 -1.992 -2.280 7.875 1.00 0.00 C ATOM 226 CD2 LEU A 18 -0.830 -2.006 5.677 1.00 0.00 C ATOM 0 H LEU A 18 -0.430 2.451 8.810 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.587 -0.374 9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.804 0.233 7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.158 0.300 6.584 1.00 0.00 H new ATOM 0 HG LEU A 18 0.111 -2.066 7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.982 -3.360 7.726 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.930 -2.060 8.941 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.917 -1.866 7.472 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.836 -3.089 5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.726 -1.586 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.053 -1.592 5.190 1.00 0.00 H new ATOM 238 N VAL A 19 1.882 -0.358 9.447 1.00 0.00 N ATOM 239 CA VAL A 19 3.337 -0.319 9.526 1.00 0.00 C ATOM 240 C VAL A 19 3.938 -1.697 9.275 1.00 0.00 C ATOM 241 O VAL A 19 3.552 -2.679 9.910 1.00 0.00 O ATOM 242 CB VAL A 19 3.811 0.194 10.899 1.00 0.00 C ATOM 243 CG1 VAL A 19 5.322 0.072 11.022 1.00 0.00 C ATOM 244 CG2 VAL A 19 3.365 1.633 11.112 1.00 0.00 C ATOM 0 H VAL A 19 1.450 -1.102 9.995 1.00 0.00 H new ATOM 0 HA VAL A 19 3.678 0.369 8.752 1.00 0.00 H new ATOM 0 HB VAL A 19 3.357 -0.422 11.675 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.638 0.439 11.998 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.612 -0.973 10.916 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.800 0.663 10.240 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.708 1.980 12.087 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.790 2.265 10.332 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.277 1.687 11.070 1.00 0.00 H new ATOM 254 N PHE A 20 4.887 -1.763 8.347 1.00 0.00 N ATOM 255 CA PHE A 20 5.542 -3.021 8.012 1.00 0.00 C ATOM 256 C PHE A 20 6.885 -2.771 7.331 1.00 0.00 C ATOM 257 O PHE A 20 7.059 -1.779 6.624 1.00 0.00 O ATOM 258 CB PHE A 20 4.645 -3.861 7.100 1.00 0.00 C ATOM 259 CG PHE A 20 4.243 -3.154 5.838 1.00 0.00 C ATOM 260 CD1 PHE A 20 5.109 -3.090 4.758 1.00 0.00 C ATOM 261 CD2 PHE A 20 3.000 -2.552 5.731 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.742 -2.440 3.594 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.627 -1.901 4.570 1.00 0.00 C ATOM 264 CZ PHE A 20 3.500 -1.844 3.501 1.00 0.00 C ATOM 0 H PHE A 20 5.219 -0.959 7.814 1.00 0.00 H new ATOM 0 HA PHE A 20 5.720 -3.567 8.939 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.166 -4.783 6.840 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.747 -4.146 7.649 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.082 -3.553 4.826 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.314 -2.592 6.564 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.426 -2.399 2.759 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.654 -1.437 4.499 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.211 -1.334 2.594 1.00 0.00 H new ATOM 274 N SER A 21 7.832 -3.677 7.552 1.00 0.00 N ATOM 275 CA SER A 21 9.161 -3.554 6.965 1.00 0.00 C ATOM 276 C SER A 21 9.157 -4.012 5.510 1.00 0.00 C ATOM 277 O SER A 21 8.464 -4.964 5.150 1.00 0.00 O ATOM 278 CB SER A 21 10.174 -4.372 7.767 1.00 0.00 C ATOM 279 OG SER A 21 9.820 -5.744 7.787 1.00 0.00 O ATOM 0 H SER A 21 7.703 -4.505 8.134 1.00 0.00 H new ATOM 0 HA SER A 21 9.449 -2.503 6.996 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.166 -4.256 7.332 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.227 -3.992 8.787 1.00 0.00 H new ATOM 0 HG SER A 21 10.484 -6.246 8.304 1.00 0.00 H new ATOM 285 N SER A 22 9.936 -3.328 4.678 1.00 0.00 N ATOM 286 CA SER A 22 10.020 -3.662 3.261 1.00 0.00 C ATOM 287 C SER A 22 10.368 -5.135 3.070 1.00 0.00 C ATOM 288 O SER A 22 10.103 -5.715 2.018 1.00 0.00 O ATOM 289 CB SER A 22 11.066 -2.785 2.570 1.00 0.00 C ATOM 290 OG SER A 22 11.386 -3.289 1.286 1.00 0.00 O ATOM 0 H SER A 22 10.518 -2.539 4.961 1.00 0.00 H new ATOM 0 HA SER A 22 9.045 -3.476 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.689 -1.766 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.967 -2.739 3.181 1.00 0.00 H new ATOM 0 HG SER A 22 12.055 -2.710 0.865 1.00 0.00 H new ATOM 296 N ASN A 23 10.965 -5.733 4.095 1.00 0.00 N ATOM 297 CA ASN A 23 11.351 -7.139 4.041 1.00 0.00 C ATOM 298 C ASN A 23 10.158 -8.017 3.674 1.00 0.00 C ATOM 299 O ASN A 23 10.311 -9.042 3.010 1.00 0.00 O ATOM 300 CB ASN A 23 11.930 -7.582 5.386 1.00 0.00 C ATOM 301 CG ASN A 23 12.631 -8.924 5.299 1.00 0.00 C ATOM 302 OD1 ASN A 23 13.561 -9.102 4.512 1.00 0.00 O ATOM 303 ND2 ASN A 23 12.186 -9.877 6.110 1.00 0.00 N ATOM 0 H ASN A 23 11.192 -5.267 4.973 1.00 0.00 H new ATOM 0 HA ASN A 23 12.113 -7.252 3.270 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.634 -6.830 5.741 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.128 -7.641 6.122 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.618 -10.801 6.097 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.412 -9.685 6.746 1.00 0.00 H new ATOM 310 N ILE A 24 8.972 -7.606 4.110 1.00 0.00 N ATOM 311 CA ILE A 24 7.754 -8.354 3.826 1.00 0.00 C ATOM 312 C ILE A 24 7.798 -8.968 2.431 1.00 0.00 C ATOM 313 O ILE A 24 8.243 -8.333 1.476 1.00 0.00 O ATOM 314 CB ILE A 24 6.505 -7.461 3.942 1.00 0.00 C ATOM 315 CG1 ILE A 24 5.236 -8.289 3.726 1.00 0.00 C ATOM 316 CG2 ILE A 24 6.575 -6.319 2.939 1.00 0.00 C ATOM 317 CD1 ILE A 24 3.972 -7.585 4.167 1.00 0.00 C ATOM 0 H ILE A 24 8.829 -6.760 4.661 1.00 0.00 H new ATOM 0 HA ILE A 24 7.692 -9.149 4.569 1.00 0.00 H new ATOM 0 HB ILE A 24 6.473 -7.037 4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.152 -8.541 2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.328 -9.228 4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.685 -5.697 3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.462 -5.716 3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.628 -6.725 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.113 -8.231 3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.035 -7.357 5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.856 -6.659 3.604 1.00 0.00 H new ATOM 329 N GLY A 25 7.332 -10.208 2.321 1.00 0.00 N ATOM 330 CA GLY A 25 7.325 -10.887 1.038 1.00 0.00 C ATOM 331 C GLY A 25 5.969 -10.840 0.364 1.00 0.00 C ATOM 332 O GLY A 25 5.030 -10.239 0.886 1.00 0.00 O ATOM 0 H GLY A 25 6.959 -10.755 3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.068 -10.430 0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.621 -11.926 1.179 1.00 0.00 H new ATOM 336 N GLN A 26 5.866 -11.473 -0.800 1.00 0.00 N ATOM 337 CA GLN A 26 4.614 -11.498 -1.548 1.00 0.00 C ATOM 338 C GLN A 26 3.540 -12.268 -0.786 1.00 0.00 C ATOM 339 O GLN A 26 2.418 -11.788 -0.620 1.00 0.00 O ATOM 340 CB GLN A 26 4.830 -12.128 -2.925 1.00 0.00 C ATOM 341 CG GLN A 26 3.645 -11.964 -3.862 1.00 0.00 C ATOM 342 CD GLN A 26 3.712 -10.683 -4.670 1.00 0.00 C ATOM 343 OE1 GLN A 26 4.178 -10.678 -5.809 1.00 0.00 O ATOM 344 NE2 GLN A 26 3.246 -9.587 -4.082 1.00 0.00 N ATOM 0 H GLN A 26 6.634 -11.975 -1.246 1.00 0.00 H new ATOM 0 HA GLN A 26 4.276 -10.470 -1.676 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.711 -11.681 -3.385 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.040 -13.190 -2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.603 -12.816 -4.541 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.723 -11.974 -3.281 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.868 -9.637 -3.136 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.266 -8.695 -4.577 1.00 0.00 H new ATOM 353 N HIS A 27 3.892 -13.464 -0.325 1.00 0.00 N ATOM 354 CA HIS A 27 2.957 -14.301 0.420 1.00 0.00 C ATOM 355 C HIS A 27 2.227 -13.486 1.482 1.00 0.00 C ATOM 356 O HIS A 27 1.022 -13.643 1.679 1.00 0.00 O ATOM 357 CB HIS A 27 3.696 -15.469 1.074 1.00 0.00 C ATOM 358 CG HIS A 27 4.149 -16.513 0.100 1.00 0.00 C ATOM 359 ND1 HIS A 27 4.424 -17.813 0.465 1.00 0.00 N ATOM 360 CD2 HIS A 27 4.371 -16.442 -1.233 1.00 0.00 C ATOM 361 CE1 HIS A 27 4.799 -18.497 -0.601 1.00 0.00 C ATOM 362 NE2 HIS A 27 4.775 -17.688 -1.645 1.00 0.00 N ATOM 0 H HIS A 27 4.816 -13.875 -0.454 1.00 0.00 H new ATOM 0 HA HIS A 27 2.220 -14.694 -0.281 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.563 -15.084 1.611 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.043 -15.933 1.813 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.253 -15.568 -1.857 1.00 0.00 H new ATOM 0 HE1 HIS A 27 5.078 -19.540 -0.616 1.00 0.00 H new ATOM 0 HE2 HIS A 27 5.017 -17.947 -2.601 1.00 0.00 H new ATOM 371 N ASP A 28 2.964 -12.616 2.165 1.00 0.00 N ATOM 372 CA ASP A 28 2.386 -11.776 3.207 1.00 0.00 C ATOM 373 C ASP A 28 1.722 -10.542 2.605 1.00 0.00 C ATOM 374 O ASP A 28 0.518 -10.332 2.764 1.00 0.00 O ATOM 375 CB ASP A 28 3.463 -11.354 4.207 1.00 0.00 C ATOM 376 CG ASP A 28 3.826 -12.466 5.172 1.00 0.00 C ATOM 377 OD1 ASP A 28 2.910 -13.003 5.831 1.00 0.00 O ATOM 378 OD2 ASP A 28 5.025 -12.800 5.268 1.00 0.00 O ATOM 0 H ASP A 28 3.963 -12.475 2.015 1.00 0.00 H new ATOM 0 HA ASP A 28 1.625 -12.358 3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.356 -11.042 3.665 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.113 -10.489 4.770 1.00 0.00 H new ATOM 383 N LEU A 29 2.513 -9.729 1.915 1.00 0.00 N ATOM 384 CA LEU A 29 2.002 -8.514 1.289 1.00 0.00 C ATOM 385 C LEU A 29 0.649 -8.768 0.631 1.00 0.00 C ATOM 386 O LEU A 29 -0.204 -7.882 0.582 1.00 0.00 O ATOM 387 CB LEU A 29 2.998 -7.994 0.251 1.00 0.00 C ATOM 388 CG LEU A 29 2.844 -6.526 -0.150 1.00 0.00 C ATOM 389 CD1 LEU A 29 3.343 -5.615 0.961 1.00 0.00 C ATOM 390 CD2 LEU A 29 3.590 -6.247 -1.447 1.00 0.00 C ATOM 0 H LEU A 29 3.511 -9.888 1.774 1.00 0.00 H new ATOM 0 HA LEU A 29 1.871 -7.761 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.006 -8.140 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.910 -8.606 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 29 1.786 -6.322 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.226 -4.574 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.765 -5.797 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.396 -5.820 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.470 -5.198 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.649 -6.468 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.186 -6.875 -2.241 1.00 0.00 H new ATOM 402 N ASP A 30 0.461 -9.983 0.128 1.00 0.00 N ATOM 403 CA ASP A 30 -0.789 -10.355 -0.524 1.00 0.00 C ATOM 404 C ASP A 30 -1.986 -10.004 0.354 1.00 0.00 C ATOM 405 O ASP A 30 -2.974 -9.440 -0.118 1.00 0.00 O ATOM 406 CB ASP A 30 -0.797 -11.850 -0.845 1.00 0.00 C ATOM 407 CG ASP A 30 -2.063 -12.284 -1.556 1.00 0.00 C ATOM 408 OD1 ASP A 30 -2.229 -11.929 -2.742 1.00 0.00 O ATOM 409 OD2 ASP A 30 -2.888 -12.978 -0.927 1.00 0.00 O ATOM 0 H ASP A 30 1.158 -10.727 0.159 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.866 -9.792 -1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.065 -12.089 -1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.691 -12.417 0.080 1.00 0.00 H new ATOM 414 N THR A 31 -1.892 -10.343 1.637 1.00 0.00 N ATOM 415 CA THR A 31 -2.967 -10.066 2.581 1.00 0.00 C ATOM 416 C THR A 31 -3.118 -8.568 2.819 1.00 0.00 C ATOM 417 O THR A 31 -4.232 -8.054 2.922 1.00 0.00 O ATOM 418 CB THR A 31 -2.723 -10.766 3.931 1.00 0.00 C ATOM 419 OG1 THR A 31 -2.574 -12.176 3.731 1.00 0.00 O ATOM 420 CG2 THR A 31 -3.872 -10.504 4.892 1.00 0.00 C ATOM 0 H THR A 31 -1.082 -10.810 2.045 1.00 0.00 H new ATOM 0 HA THR A 31 -3.884 -10.455 2.138 1.00 0.00 H new ATOM 0 HB THR A 31 -1.808 -10.362 4.365 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.417 -12.614 4.594 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.677 -11.008 5.838 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.965 -9.432 5.065 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.799 -10.884 4.463 1.00 0.00 H new ATOM 428 N LYS A 32 -1.990 -7.870 2.904 1.00 0.00 N ATOM 429 CA LYS A 32 -1.996 -6.430 3.128 1.00 0.00 C ATOM 430 C LYS A 32 -2.949 -5.733 2.162 1.00 0.00 C ATOM 431 O LYS A 32 -3.945 -5.140 2.577 1.00 0.00 O ATOM 432 CB LYS A 32 -0.584 -5.862 2.967 1.00 0.00 C ATOM 433 CG LYS A 32 0.432 -6.480 3.911 1.00 0.00 C ATOM 434 CD LYS A 32 0.456 -5.763 5.251 1.00 0.00 C ATOM 435 CE LYS A 32 1.630 -6.217 6.105 1.00 0.00 C ATOM 436 NZ LYS A 32 1.399 -5.951 7.552 1.00 0.00 N ATOM 0 H LYS A 32 -1.060 -8.279 2.821 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.341 -6.247 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.254 -6.017 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.614 -4.785 3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.194 -7.533 4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.423 -6.440 3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.518 -4.687 5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.477 -5.952 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.798 -7.283 5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.535 -5.703 5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.222 -6.275 8.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.264 -4.931 7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.550 -6.462 7.868 1.00 0.00 H new ATOM 450 N SER A 33 -2.638 -5.810 0.872 1.00 0.00 N ATOM 451 CA SER A 33 -3.465 -5.185 -0.153 1.00 0.00 C ATOM 452 C SER A 33 -4.947 -5.420 0.126 1.00 0.00 C ATOM 453 O SER A 33 -5.757 -4.495 0.070 1.00 0.00 O ATOM 454 CB SER A 33 -3.102 -5.731 -1.535 1.00 0.00 C ATOM 455 OG SER A 33 -1.811 -5.300 -1.931 1.00 0.00 O ATOM 0 H SER A 33 -1.819 -6.299 0.512 1.00 0.00 H new ATOM 0 HA SER A 33 -3.275 -4.112 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.136 -6.820 -1.520 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.840 -5.399 -2.266 1.00 0.00 H new ATOM 0 HG SER A 33 -1.602 -5.664 -2.817 1.00 0.00 H new ATOM 461 N LYS A 34 -5.294 -6.667 0.428 1.00 0.00 N ATOM 462 CA LYS A 34 -6.677 -7.027 0.718 1.00 0.00 C ATOM 463 C LYS A 34 -7.193 -6.269 1.937 1.00 0.00 C ATOM 464 O LYS A 34 -8.346 -5.840 1.969 1.00 0.00 O ATOM 465 CB LYS A 34 -6.793 -8.535 0.956 1.00 0.00 C ATOM 466 CG LYS A 34 -6.534 -9.368 -0.287 1.00 0.00 C ATOM 467 CD LYS A 34 -6.119 -10.786 0.069 1.00 0.00 C ATOM 468 CE LYS A 34 -7.327 -11.670 0.337 1.00 0.00 C ATOM 469 NZ LYS A 34 -7.880 -11.452 1.703 1.00 0.00 N ATOM 0 H LYS A 34 -4.636 -7.445 0.478 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.286 -6.752 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.086 -8.827 1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.791 -8.759 1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.433 -9.395 -0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.753 -8.898 -0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.531 -11.209 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.477 -10.768 0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.099 -11.465 -0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.044 -12.716 0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.284 -12.341 2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.120 -11.137 2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.623 -10.725 1.665 1.00 0.00 H new ATOM 483 N GLN A 35 -6.331 -6.107 2.936 1.00 0.00 N ATOM 484 CA GLN A 35 -6.701 -5.399 4.156 1.00 0.00 C ATOM 485 C GLN A 35 -6.956 -3.922 3.872 1.00 0.00 C ATOM 486 O GLN A 35 -8.013 -3.388 4.210 1.00 0.00 O ATOM 487 CB GLN A 35 -5.602 -5.546 5.209 1.00 0.00 C ATOM 488 CG GLN A 35 -5.772 -6.766 6.100 1.00 0.00 C ATOM 489 CD GLN A 35 -6.780 -6.542 7.209 1.00 0.00 C ATOM 490 OE1 GLN A 35 -6.805 -5.483 7.837 1.00 0.00 O ATOM 491 NE2 GLN A 35 -7.620 -7.541 7.457 1.00 0.00 N ATOM 0 H GLN A 35 -5.373 -6.456 2.925 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.621 -5.841 4.538 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.636 -5.604 4.708 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.585 -4.651 5.831 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.088 -7.614 5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.809 -7.029 6.537 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.564 -8.401 6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.321 -7.447 8.192 1.00 0.00 H new ATOM 500 N ILE A 36 -5.981 -3.267 3.250 1.00 0.00 N ATOM 501 CA ILE A 36 -6.101 -1.853 2.921 1.00 0.00 C ATOM 502 C ILE A 36 -7.313 -1.596 2.031 1.00 0.00 C ATOM 503 O ILE A 36 -8.157 -0.757 2.344 1.00 0.00 O ATOM 504 CB ILE A 36 -4.837 -1.331 2.211 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.613 -1.501 3.112 1.00 0.00 C ATOM 506 CG2 ILE A 36 -5.014 0.129 1.819 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.299 -1.308 2.389 1.00 0.00 C ATOM 0 H ILE A 36 -5.100 -3.694 2.964 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.226 -1.319 3.863 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.681 -1.914 1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.675 -0.787 3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.633 -2.497 3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.113 0.483 1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.865 0.224 1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.191 0.727 2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.475 -1.443 3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.215 -2.039 1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.258 -0.302 1.971 1.00 0.00 H new ATOM 519 N GLN A 37 -7.391 -2.325 0.922 1.00 0.00 N ATOM 520 CA GLN A 37 -8.500 -2.176 -0.012 1.00 0.00 C ATOM 521 C GLN A 37 -9.813 -1.958 0.732 1.00 0.00 C ATOM 522 O GLN A 37 -10.573 -1.044 0.413 1.00 0.00 O ATOM 523 CB GLN A 37 -8.608 -3.410 -0.909 1.00 0.00 C ATOM 524 CG GLN A 37 -9.430 -3.179 -2.167 1.00 0.00 C ATOM 525 CD GLN A 37 -9.604 -4.439 -2.991 1.00 0.00 C ATOM 526 OE1 GLN A 37 -9.878 -5.513 -2.454 1.00 0.00 O ATOM 527 NE2 GLN A 37 -9.444 -4.315 -4.303 1.00 0.00 N ATOM 0 H GLN A 37 -6.700 -3.024 0.649 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.305 -1.301 -0.632 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.606 -3.730 -1.194 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.053 -4.225 -0.339 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.411 -2.793 -1.889 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.947 -2.415 -2.776 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.217 -3.406 -4.705 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.548 -5.129 -4.909 1.00 0.00 H new ATOM 536 N GLN A 38 -10.073 -2.803 1.724 1.00 0.00 N ATOM 537 CA GLN A 38 -11.296 -2.702 2.513 1.00 0.00 C ATOM 538 C GLN A 38 -11.489 -1.284 3.038 1.00 0.00 C ATOM 539 O GLN A 38 -12.528 -0.663 2.808 1.00 0.00 O ATOM 540 CB GLN A 38 -11.257 -3.690 3.681 1.00 0.00 C ATOM 541 CG GLN A 38 -11.575 -5.121 3.278 1.00 0.00 C ATOM 542 CD GLN A 38 -13.053 -5.340 3.019 1.00 0.00 C ATOM 543 OE1 GLN A 38 -13.901 -4.937 3.816 1.00 0.00 O ATOM 544 NE2 GLN A 38 -13.369 -5.980 1.900 1.00 0.00 N ATOM 0 H GLN A 38 -9.454 -3.565 2.001 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.138 -2.948 1.866 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.268 -3.661 4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.969 -3.369 4.442 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.011 -5.375 2.381 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.244 -5.798 4.065 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.633 -6.296 1.268 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.348 -6.155 1.672 1.00 0.00 H new ATOM 553 N TRP A 39 -10.485 -0.777 3.743 1.00 0.00 N ATOM 554 CA TRP A 39 -10.546 0.570 4.301 1.00 0.00 C ATOM 555 C TRP A 39 -10.897 1.590 3.223 1.00 0.00 C ATOM 556 O TRP A 39 -11.834 2.373 3.380 1.00 0.00 O ATOM 557 CB TRP A 39 -9.210 0.935 4.950 1.00 0.00 C ATOM 558 CG TRP A 39 -8.965 0.223 6.246 1.00 0.00 C ATOM 559 CD1 TRP A 39 -9.893 -0.090 7.198 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.709 -0.263 6.732 1.00 0.00 C ATOM 561 NE1 TRP A 39 -9.290 -0.741 8.246 1.00 0.00 N ATOM 562 CE2 TRP A 39 -7.951 -0.861 7.985 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.405 -0.253 6.231 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -6.935 -1.440 8.741 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.398 -0.829 6.983 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.668 -1.417 8.226 1.00 0.00 C ATOM 0 H TRP A 39 -9.619 -1.277 3.942 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.328 0.588 5.060 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.402 0.701 4.257 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.180 2.011 5.123 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -10.946 0.141 7.136 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.763 -1.080 9.084 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.187 0.197 5.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.140 -1.891 9.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.386 -0.826 6.606 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.860 -1.861 8.788 1.00 0.00 H new ATOM 577 N ILE A 40 -10.141 1.575 2.131 1.00 0.00 N ATOM 578 CA ILE A 40 -10.376 2.498 1.028 1.00 0.00 C ATOM 579 C ILE A 40 -11.857 2.568 0.674 1.00 0.00 C ATOM 580 O ILE A 40 -12.450 3.646 0.653 1.00 0.00 O ATOM 581 CB ILE A 40 -9.579 2.091 -0.226 1.00 0.00 C ATOM 582 CG1 ILE A 40 -8.078 2.096 0.073 1.00 0.00 C ATOM 583 CG2 ILE A 40 -9.897 3.027 -1.382 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.575 3.415 0.617 1.00 0.00 C ATOM 0 H ILE A 40 -9.361 0.934 1.986 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.038 3.479 1.361 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.870 1.080 -0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.856 1.307 0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.533 1.857 -0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.326 2.727 -2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.962 2.978 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.630 4.048 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.504 3.346 0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.765 4.205 -0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.093 3.646 1.548 1.00 0.00 H new ATOM 596 N GLU A 41 -12.449 1.410 0.398 1.00 0.00 N ATOM 597 CA GLU A 41 -13.863 1.340 0.047 1.00 0.00 C ATOM 598 C GLU A 41 -14.686 2.293 0.909 1.00 0.00 C ATOM 599 O GLU A 41 -15.554 3.009 0.408 1.00 0.00 O ATOM 600 CB GLU A 41 -14.382 -0.090 0.210 1.00 0.00 C ATOM 601 CG GLU A 41 -14.171 -0.958 -1.018 1.00 0.00 C ATOM 602 CD GLU A 41 -15.131 -0.621 -2.143 1.00 0.00 C ATOM 603 OE1 GLU A 41 -15.423 0.578 -2.333 1.00 0.00 O ATOM 604 OE2 GLU A 41 -15.590 -1.556 -2.831 1.00 0.00 O ATOM 0 H GLU A 41 -11.972 0.508 0.411 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.967 1.640 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.884 -0.553 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.446 -0.057 0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.147 -0.838 -1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -14.293 -2.006 -0.743 1.00 0.00 H new ATOM 611 N LYS A 42 -14.406 2.297 2.208 1.00 0.00 N ATOM 612 CA LYS A 42 -15.119 3.162 3.141 1.00 0.00 C ATOM 613 C LYS A 42 -14.437 4.522 3.251 1.00 0.00 C ATOM 614 O LYS A 42 -14.356 5.102 4.334 1.00 0.00 O ATOM 615 CB LYS A 42 -15.194 2.505 4.521 1.00 0.00 C ATOM 616 CG LYS A 42 -16.084 1.275 4.561 1.00 0.00 C ATOM 617 CD LYS A 42 -15.756 0.387 5.750 1.00 0.00 C ATOM 618 CE LYS A 42 -14.561 -0.509 5.462 1.00 0.00 C ATOM 619 NZ LYS A 42 -14.507 -1.675 6.387 1.00 0.00 N ATOM 0 H LYS A 42 -13.691 1.711 2.639 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.129 3.311 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.189 2.226 4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.564 3.234 5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.129 1.582 4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.964 0.708 3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.546 1.007 6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.622 -0.227 5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.613 -0.864 4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.642 0.070 5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.679 -2.261 6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.432 -1.337 7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.372 -2.242 6.282 1.00 0.00 H new ATOM 633 N LYS A 43 -13.950 5.027 2.123 1.00 0.00 N ATOM 634 CA LYS A 43 -13.278 6.321 2.090 1.00 0.00 C ATOM 635 C LYS A 43 -12.543 6.585 3.401 1.00 0.00 C ATOM 636 O LYS A 43 -12.736 7.624 4.033 1.00 0.00 O ATOM 637 CB LYS A 43 -14.290 7.438 1.826 1.00 0.00 C ATOM 638 CG LYS A 43 -15.421 7.485 2.839 1.00 0.00 C ATOM 639 CD LYS A 43 -16.607 6.649 2.389 1.00 0.00 C ATOM 640 CE LYS A 43 -17.789 6.805 3.333 1.00 0.00 C ATOM 641 NZ LYS A 43 -18.384 8.168 3.257 1.00 0.00 N ATOM 0 H LYS A 43 -14.008 4.559 1.218 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.548 6.303 1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.770 8.396 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.711 7.307 0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.063 7.122 3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.737 8.518 2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.902 6.946 1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.316 5.600 2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -18.549 6.063 3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.466 6.606 4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -19.306 8.172 3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -17.749 8.850 3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -18.513 8.435 2.260 1.00 0.00 H new ATOM 655 N TYR A 44 -11.700 5.640 3.802 1.00 0.00 N ATOM 656 CA TYR A 44 -10.937 5.771 5.038 1.00 0.00 C ATOM 657 C TYR A 44 -9.481 6.119 4.745 1.00 0.00 C ATOM 658 O TYR A 44 -8.862 5.547 3.846 1.00 0.00 O ATOM 659 CB TYR A 44 -11.011 4.475 5.847 1.00 0.00 C ATOM 660 CG TYR A 44 -12.173 4.430 6.813 1.00 0.00 C ATOM 661 CD1 TYR A 44 -12.448 5.504 7.650 1.00 0.00 C ATOM 662 CD2 TYR A 44 -12.996 3.313 6.889 1.00 0.00 C ATOM 663 CE1 TYR A 44 -13.508 5.467 8.535 1.00 0.00 C ATOM 664 CE2 TYR A 44 -14.059 3.268 7.770 1.00 0.00 C ATOM 665 CZ TYR A 44 -14.311 4.347 8.591 1.00 0.00 C ATOM 666 OH TYR A 44 -15.368 4.306 9.470 1.00 0.00 O ATOM 0 H TYR A 44 -11.528 4.775 3.289 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.375 6.581 5.621 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.087 3.632 5.160 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.082 4.350 6.403 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.822 6.383 7.608 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.801 2.466 6.248 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -13.707 6.310 9.180 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.689 2.392 7.816 1.00 0.00 H new ATOM 0 HH TYR A 44 -15.833 3.448 9.383 1.00 0.00 H new ATOM 676 N HIS A 45 -8.938 7.061 5.510 1.00 0.00 N ATOM 677 CA HIS A 45 -7.554 7.485 5.335 1.00 0.00 C ATOM 678 C HIS A 45 -6.592 6.458 5.925 1.00 0.00 C ATOM 679 O HIS A 45 -6.412 6.388 7.140 1.00 0.00 O ATOM 680 CB HIS A 45 -7.329 8.848 5.991 1.00 0.00 C ATOM 681 CG HIS A 45 -7.677 10.004 5.104 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.775 10.586 4.239 1.00 0.00 N ATOM 683 CD2 HIS A 45 -8.836 10.685 4.951 1.00 0.00 C ATOM 684 CE1 HIS A 45 -7.364 11.577 3.593 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.616 11.657 4.007 1.00 0.00 N ATOM 0 H HIS A 45 -9.436 7.545 6.257 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.358 7.568 4.266 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.925 8.907 6.901 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.284 8.931 6.289 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.762 10.499 5.474 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.901 12.213 2.853 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.307 12.332 3.679 1.00 0.00 H new ATOM 694 N VAL A 46 -5.977 5.662 5.055 1.00 0.00 N ATOM 695 CA VAL A 46 -5.034 4.640 5.490 1.00 0.00 C ATOM 696 C VAL A 46 -3.598 5.143 5.401 1.00 0.00 C ATOM 697 O VAL A 46 -3.081 5.386 4.311 1.00 0.00 O ATOM 698 CB VAL A 46 -5.169 3.357 4.648 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.217 2.283 5.153 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.606 2.858 4.665 1.00 0.00 C ATOM 0 H VAL A 46 -6.116 5.706 4.045 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.272 4.412 6.529 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.901 3.590 3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.327 1.385 4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.191 2.644 5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.450 2.050 6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.683 1.951 4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.904 2.641 5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.262 3.624 4.251 1.00 0.00 H new ATOM 710 N GLN A 47 -2.958 5.298 6.556 1.00 0.00 N ATOM 711 CA GLN A 47 -1.580 5.773 6.608 1.00 0.00 C ATOM 712 C GLN A 47 -0.603 4.604 6.677 1.00 0.00 C ATOM 713 O GLN A 47 -0.580 3.857 7.656 1.00 0.00 O ATOM 714 CB GLN A 47 -1.381 6.691 7.815 1.00 0.00 C ATOM 715 CG GLN A 47 -0.033 7.394 7.829 1.00 0.00 C ATOM 716 CD GLN A 47 -0.086 8.746 8.513 1.00 0.00 C ATOM 717 OE1 GLN A 47 -0.859 9.621 8.123 1.00 0.00 O ATOM 718 NE2 GLN A 47 0.736 8.922 9.540 1.00 0.00 N ATOM 0 H GLN A 47 -3.371 5.102 7.468 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.381 6.335 5.695 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.172 7.440 7.825 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.485 6.105 8.728 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.696 6.763 8.337 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.316 7.523 6.804 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.360 8.169 9.829 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.744 9.811 10.041 1.00 0.00 H new ATOM 727 N VAL A 48 0.202 4.450 5.631 1.00 0.00 N ATOM 728 CA VAL A 48 1.182 3.372 5.573 1.00 0.00 C ATOM 729 C VAL A 48 2.598 3.905 5.764 1.00 0.00 C ATOM 730 O VAL A 48 2.937 4.986 5.281 1.00 0.00 O ATOM 731 CB VAL A 48 1.106 2.616 4.233 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.090 1.456 4.218 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.311 2.127 3.977 1.00 0.00 C ATOM 0 H VAL A 48 0.195 5.058 4.812 1.00 0.00 H new ATOM 0 HA VAL A 48 0.944 2.684 6.384 1.00 0.00 H new ATOM 0 HB VAL A 48 1.379 3.303 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.022 0.934 3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.103 1.836 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.851 0.766 5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.346 1.595 3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.615 1.455 4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.989 2.980 3.941 1.00 0.00 H new ATOM 743 N THR A 49 3.423 3.139 6.471 1.00 0.00 N ATOM 744 CA THR A 49 4.802 3.534 6.727 1.00 0.00 C ATOM 745 C THR A 49 5.752 2.354 6.558 1.00 0.00 C ATOM 746 O THR A 49 5.597 1.322 7.211 1.00 0.00 O ATOM 747 CB THR A 49 4.967 4.113 8.145 1.00 0.00 C ATOM 748 OG1 THR A 49 4.066 5.209 8.335 1.00 0.00 O ATOM 749 CG2 THR A 49 6.397 4.579 8.376 1.00 0.00 C ATOM 0 H THR A 49 3.159 2.241 6.877 1.00 0.00 H new ATOM 0 HA THR A 49 5.051 4.305 5.997 1.00 0.00 H new ATOM 0 HB THR A 49 4.737 3.326 8.864 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.176 5.570 9.239 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.489 4.984 9.384 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.078 3.736 8.260 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.650 5.352 7.650 1.00 0.00 H new ATOM 757 N ILE A 50 6.736 2.514 5.679 1.00 0.00 N ATOM 758 CA ILE A 50 7.712 1.462 5.426 1.00 0.00 C ATOM 759 C ILE A 50 9.003 1.713 6.197 1.00 0.00 C ATOM 760 O ILE A 50 9.698 2.701 5.961 1.00 0.00 O ATOM 761 CB ILE A 50 8.038 1.345 3.925 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.780 0.980 3.134 1.00 0.00 C ATOM 763 CG2 ILE A 50 9.131 0.311 3.699 1.00 0.00 C ATOM 764 CD1 ILE A 50 7.046 0.699 1.672 1.00 0.00 C ATOM 0 H ILE A 50 6.878 3.362 5.130 1.00 0.00 H new ATOM 0 HA ILE A 50 7.264 0.528 5.766 1.00 0.00 H new ATOM 0 HB ILE A 50 8.400 2.310 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.318 0.102 3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.061 1.795 3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.350 0.240 2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 50 10.031 0.610 4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.796 -0.659 4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.110 0.447 1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.480 1.583 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.741 -0.136 1.583 1.00 0.00 H new ATOM 776 N LYS A 51 9.320 0.810 7.120 1.00 0.00 N ATOM 777 CA LYS A 51 10.529 0.931 7.925 1.00 0.00 C ATOM 778 C LYS A 51 11.748 0.437 7.153 1.00 0.00 C ATOM 779 O LYS A 51 12.114 -0.735 7.235 1.00 0.00 O ATOM 780 CB LYS A 51 10.381 0.138 9.226 1.00 0.00 C ATOM 781 CG LYS A 51 9.146 0.510 10.028 1.00 0.00 C ATOM 782 CD LYS A 51 8.752 -0.597 10.991 1.00 0.00 C ATOM 783 CE LYS A 51 9.471 -0.458 12.324 1.00 0.00 C ATOM 784 NZ LYS A 51 9.280 -1.657 13.186 1.00 0.00 N ATOM 0 H LYS A 51 8.756 -0.014 7.328 1.00 0.00 H new ATOM 0 HA LYS A 51 10.674 1.985 8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.345 -0.926 8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.266 0.298 9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.336 1.428 10.585 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.318 0.715 9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.674 -0.573 11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.986 -1.566 10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.536 -0.304 12.148 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.103 0.426 12.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.786 -1.522 14.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.266 -1.790 13.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.655 -2.497 12.700 1.00 0.00 H new ATOM 978 N THR A 63 11.826 0.316 -1.877 1.00 0.00 N ATOM 979 CA THR A 63 11.003 1.020 -0.902 1.00 0.00 C ATOM 980 C THR A 63 9.812 1.696 -1.573 1.00 0.00 C ATOM 981 O THR A 63 8.661 1.415 -1.242 1.00 0.00 O ATOM 982 CB THR A 63 11.819 2.082 -0.140 1.00 0.00 C ATOM 983 OG1 THR A 63 13.066 1.525 0.290 1.00 0.00 O ATOM 984 CG2 THR A 63 11.045 2.597 1.064 1.00 0.00 C ATOM 0 HA THR A 63 10.642 0.273 -0.195 1.00 0.00 H new ATOM 0 HB THR A 63 12.008 2.917 -0.814 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.376 0.869 -0.369 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.641 3.346 1.586 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.110 3.046 0.730 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.829 1.769 1.739 1.00 0.00 H new ATOM 992 N GLU A 64 10.098 2.586 -2.517 1.00 0.00 N ATOM 993 CA GLU A 64 9.048 3.302 -3.234 1.00 0.00 C ATOM 994 C GLU A 64 8.139 2.329 -3.980 1.00 0.00 C ATOM 995 O GLU A 64 6.918 2.370 -3.834 1.00 0.00 O ATOM 996 CB GLU A 64 9.662 4.300 -4.218 1.00 0.00 C ATOM 997 CG GLU A 64 8.758 5.482 -4.528 1.00 0.00 C ATOM 998 CD GLU A 64 9.201 6.248 -5.759 1.00 0.00 C ATOM 999 OE1 GLU A 64 10.207 6.983 -5.670 1.00 0.00 O ATOM 1000 OE2 GLU A 64 8.542 6.113 -6.811 1.00 0.00 O ATOM 0 H GLU A 64 11.046 2.829 -2.804 1.00 0.00 H new ATOM 0 HA GLU A 64 8.449 3.845 -2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.602 4.670 -3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.900 3.782 -5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.738 5.126 -4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.741 6.156 -3.672 1.00 0.00 H new ATOM 1007 N GLU A 65 8.745 1.456 -4.779 1.00 0.00 N ATOM 1008 CA GLU A 65 7.990 0.475 -5.549 1.00 0.00 C ATOM 1009 C GLU A 65 6.897 -0.162 -4.696 1.00 0.00 C ATOM 1010 O GLU A 65 5.742 -0.254 -5.114 1.00 0.00 O ATOM 1011 CB GLU A 65 8.924 -0.608 -6.093 1.00 0.00 C ATOM 1012 CG GLU A 65 9.642 -0.208 -7.370 1.00 0.00 C ATOM 1013 CD GLU A 65 10.170 -1.401 -8.142 1.00 0.00 C ATOM 1014 OE1 GLU A 65 11.188 -1.984 -7.712 1.00 0.00 O ATOM 1015 OE2 GLU A 65 9.565 -1.754 -9.176 1.00 0.00 O ATOM 0 H GLU A 65 9.755 1.408 -4.910 1.00 0.00 H new ATOM 0 HA GLU A 65 7.519 0.992 -6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.664 -0.853 -5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.347 -1.514 -6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.959 0.357 -8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.471 0.456 -7.123 1.00 0.00 H new ATOM 1022 N ILE A 66 7.270 -0.600 -3.498 1.00 0.00 N ATOM 1023 CA ILE A 66 6.322 -1.228 -2.585 1.00 0.00 C ATOM 1024 C ILE A 66 4.946 -0.581 -2.692 1.00 0.00 C ATOM 1025 O ILE A 66 3.990 -1.204 -3.155 1.00 0.00 O ATOM 1026 CB ILE A 66 6.805 -1.142 -1.126 1.00 0.00 C ATOM 1027 CG1 ILE A 66 8.112 -1.919 -0.951 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.737 -1.673 -0.182 1.00 0.00 C ATOM 1029 CD1 ILE A 66 7.938 -3.420 -1.032 1.00 0.00 C ATOM 0 H ILE A 66 8.222 -0.532 -3.137 1.00 0.00 H new ATOM 0 HA ILE A 66 6.252 -2.276 -2.875 1.00 0.00 H new ATOM 0 HB ILE A 66 6.991 -0.096 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.819 -1.601 -1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.551 -1.664 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.094 -1.605 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.828 -1.081 -0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.523 -2.714 -0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.905 -3.906 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.255 -3.750 -0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.528 -3.687 -2.006 1.00 0.00 H new ATOM 1041 N PHE A 67 4.852 0.673 -2.263 1.00 0.00 N ATOM 1042 CA PHE A 67 3.592 1.405 -2.311 1.00 0.00 C ATOM 1043 C PHE A 67 2.818 1.073 -3.583 1.00 0.00 C ATOM 1044 O PHE A 67 1.634 0.742 -3.533 1.00 0.00 O ATOM 1045 CB PHE A 67 3.850 2.912 -2.236 1.00 0.00 C ATOM 1046 CG PHE A 67 4.476 3.349 -0.943 1.00 0.00 C ATOM 1047 CD1 PHE A 67 3.800 3.192 0.257 1.00 0.00 C ATOM 1048 CD2 PHE A 67 5.739 3.918 -0.926 1.00 0.00 C ATOM 1049 CE1 PHE A 67 4.374 3.594 1.448 1.00 0.00 C ATOM 1050 CE2 PHE A 67 6.318 4.322 0.262 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.634 4.159 1.451 1.00 0.00 C ATOM 0 H PHE A 67 5.634 1.204 -1.878 1.00 0.00 H new ATOM 0 HA PHE A 67 2.992 1.103 -1.453 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.500 3.203 -3.062 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.907 3.441 -2.371 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.814 2.751 0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.278 4.047 -1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.837 3.466 2.376 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.303 4.764 0.261 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.084 4.473 2.381 1.00 0.00 H new ATOM 1061 N ASN A 68 3.496 1.164 -4.722 1.00 0.00 N ATOM 1062 CA ASN A 68 2.873 0.875 -6.009 1.00 0.00 C ATOM 1063 C ASN A 68 2.395 -0.573 -6.068 1.00 0.00 C ATOM 1064 O ASN A 68 1.237 -0.842 -6.387 1.00 0.00 O ATOM 1065 CB ASN A 68 3.857 1.146 -7.148 1.00 0.00 C ATOM 1066 CG ASN A 68 4.350 2.580 -7.157 1.00 0.00 C ATOM 1067 OD1 ASN A 68 3.709 3.466 -7.724 1.00 0.00 O ATOM 1068 ND2 ASN A 68 5.495 2.816 -6.527 1.00 0.00 N ATOM 0 H ASN A 68 4.477 1.436 -4.780 1.00 0.00 H new ATOM 0 HA ASN A 68 2.009 1.530 -6.122 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.709 0.472 -7.056 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.376 0.924 -8.101 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.877 3.762 -6.500 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.993 2.052 -6.071 1.00 0.00 H new ATOM 1075 N GLN A 69 3.295 -1.500 -5.758 1.00 0.00 N ATOM 1076 CA GLN A 69 2.965 -2.920 -5.776 1.00 0.00 C ATOM 1077 C GLN A 69 1.616 -3.175 -5.111 1.00 0.00 C ATOM 1078 O GLN A 69 0.926 -4.142 -5.435 1.00 0.00 O ATOM 1079 CB GLN A 69 4.056 -3.728 -5.069 1.00 0.00 C ATOM 1080 CG GLN A 69 5.458 -3.432 -5.578 1.00 0.00 C ATOM 1081 CD GLN A 69 6.391 -4.619 -5.440 1.00 0.00 C ATOM 1082 OE1 GLN A 69 6.161 -5.676 -6.030 1.00 0.00 O ATOM 1083 NE2 GLN A 69 7.451 -4.451 -4.659 1.00 0.00 N ATOM 0 H GLN A 69 4.258 -1.294 -5.492 1.00 0.00 H new ATOM 0 HA GLN A 69 2.902 -3.239 -6.816 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.015 -3.520 -4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.849 -4.791 -5.195 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.405 -3.136 -6.626 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.869 -2.586 -5.028 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.602 -3.558 -4.190 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.114 -5.215 -4.528 1.00 0.00 H new ATOM 1092 N ILE A 70 1.247 -2.301 -4.180 1.00 0.00 N ATOM 1093 CA ILE A 70 -0.019 -2.431 -3.471 1.00 0.00 C ATOM 1094 C ILE A 70 -1.139 -1.702 -4.207 1.00 0.00 C ATOM 1095 O ILE A 70 -2.307 -2.082 -4.115 1.00 0.00 O ATOM 1096 CB ILE A 70 0.080 -1.881 -2.036 1.00 0.00 C ATOM 1097 CG1 ILE A 70 1.241 -2.544 -1.292 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -1.229 -2.102 -1.292 1.00 0.00 C ATOM 1099 CD1 ILE A 70 1.701 -1.769 -0.077 1.00 0.00 C ATOM 0 H ILE A 70 1.807 -1.496 -3.900 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.248 -3.496 -3.428 1.00 0.00 H new ATOM 0 HB ILE A 70 0.270 -0.809 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.939 -3.544 -0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.081 -2.662 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.143 -1.708 -0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.036 -1.588 -1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.447 -3.169 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.526 -2.297 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.034 -0.777 -0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.875 -1.673 0.628 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.775 -0.655 -4.937 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.748 0.128 -5.692 1.00 0.00 C ATOM 1113 C LEU A 71 -2.139 -0.587 -6.981 1.00 0.00 C ATOM 1114 O LEU A 71 -3.114 -0.218 -7.634 1.00 0.00 O ATOM 1115 CB LEU A 71 -1.180 1.511 -6.014 1.00 0.00 C ATOM 1116 CG LEU A 71 -2.177 2.536 -6.557 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.876 3.257 -5.415 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.475 3.532 -7.468 1.00 0.00 C ATOM 0 H LEU A 71 0.187 -0.328 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.641 0.243 -5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.729 1.917 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.378 1.392 -6.743 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.930 2.008 -7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.582 3.982 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.412 2.533 -4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.136 3.773 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.200 4.254 -7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.700 4.055 -6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.021 3.002 -8.305 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.373 -1.612 -7.340 1.00 0.00 N ATOM 1131 CA GLN A 72 -1.641 -2.379 -8.550 1.00 0.00 C ATOM 1132 C GLN A 72 -2.890 -3.237 -8.385 1.00 0.00 C ATOM 1133 O GLN A 72 -3.431 -3.761 -9.360 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.441 -3.264 -8.895 1.00 0.00 C ATOM 1135 CG GLN A 72 0.687 -2.516 -9.586 1.00 0.00 C ATOM 1136 CD GLN A 72 1.548 -3.423 -10.444 1.00 0.00 C ATOM 1137 OE1 GLN A 72 1.046 -4.339 -11.096 1.00 0.00 O ATOM 1138 NE2 GLN A 72 2.852 -3.172 -10.449 1.00 0.00 N ATOM 0 H GLN A 72 -0.562 -1.930 -6.810 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.811 -1.676 -9.365 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.059 -3.717 -7.980 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.774 -4.078 -9.539 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.267 -1.726 -10.208 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.311 -2.033 -8.835 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.225 -2.402 -9.894 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.480 -3.749 -11.008 1.00 0.00 H new ATOM 1147 N THR A 73 -3.346 -3.379 -7.144 1.00 0.00 N ATOM 1148 CA THR A 73 -4.531 -4.175 -6.851 1.00 0.00 C ATOM 1149 C THR A 73 -5.766 -3.293 -6.716 1.00 0.00 C ATOM 1150 O THR A 73 -6.896 -3.779 -6.762 1.00 0.00 O ATOM 1151 CB THR A 73 -4.353 -4.992 -5.557 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.490 -4.137 -4.416 1.00 0.00 O ATOM 1153 CG2 THR A 73 -2.992 -5.671 -5.528 1.00 0.00 C ATOM 0 H THR A 73 -2.912 -2.953 -6.325 1.00 0.00 H new ATOM 0 HA THR A 73 -4.667 -4.860 -7.688 1.00 0.00 H new ATOM 0 HB THR A 73 -5.125 -5.761 -5.530 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.743 -3.503 -4.391 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.890 -6.242 -4.605 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.902 -6.343 -6.382 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.208 -4.916 -5.576 1.00 0.00 H new ATOM 1161 N MET A 74 -5.544 -1.993 -6.550 1.00 0.00 N ATOM 1162 CA MET A 74 -6.641 -1.043 -6.410 1.00 0.00 C ATOM 1163 C MET A 74 -6.405 0.191 -7.275 1.00 0.00 C ATOM 1164 O MET A 74 -6.612 1.327 -6.848 1.00 0.00 O ATOM 1165 CB MET A 74 -6.803 -0.629 -4.946 1.00 0.00 C ATOM 1166 CG MET A 74 -5.499 -0.638 -4.164 1.00 0.00 C ATOM 1167 SD MET A 74 -5.725 -0.188 -2.433 1.00 0.00 S ATOM 1168 CE MET A 74 -5.082 -1.648 -1.618 1.00 0.00 C ATOM 0 H MET A 74 -4.615 -1.574 -6.509 1.00 0.00 H new ATOM 0 HA MET A 74 -7.556 -1.532 -6.745 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.235 0.371 -4.905 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.512 -1.302 -4.463 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.052 -1.630 -4.222 1.00 0.00 H new ATOM 0 HG3 MET A 74 -4.797 0.056 -4.627 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.909 -2.241 -1.228 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.514 -2.243 -2.333 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.431 -1.349 -0.796 1.00 0.00 H new ATOM 1178 N PRO A 75 -5.962 -0.035 -8.521 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.689 1.047 -9.472 1.00 0.00 C ATOM 1180 C PRO A 75 -6.963 1.738 -9.946 1.00 0.00 C ATOM 1181 O PRO A 75 -6.909 2.778 -10.603 1.00 0.00 O ATOM 1182 CB PRO A 75 -5.004 0.329 -10.638 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.496 -1.075 -10.559 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.694 -1.363 -9.097 1.00 0.00 C ATOM 0 HA PRO A 75 -5.086 1.838 -9.027 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.264 0.787 -11.593 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.919 0.374 -10.548 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.429 -1.193 -11.110 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.777 -1.766 -10.999 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.525 -2.048 -8.931 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.810 -1.822 -8.655 1.00 0.00 H new ATOM 1192 N ASP A 76 -8.107 1.154 -9.609 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.396 1.715 -9.999 1.00 0.00 C ATOM 1194 C ASP A 76 -10.253 2.011 -8.772 1.00 0.00 C ATOM 1195 O ASP A 76 -11.388 2.472 -8.893 1.00 0.00 O ATOM 1196 CB ASP A 76 -10.133 0.753 -10.931 1.00 0.00 C ATOM 1197 CG ASP A 76 -10.957 -0.270 -10.174 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -10.357 -1.135 -9.502 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -12.201 -0.205 -10.253 1.00 0.00 O ATOM 0 H ASP A 76 -8.169 0.292 -9.067 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.213 2.651 -10.527 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.785 1.322 -11.594 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.409 0.237 -11.562 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.702 1.743 -7.593 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.416 1.981 -6.345 1.00 0.00 C ATOM 1206 C ILE A 77 -9.619 2.895 -5.421 1.00 0.00 C ATOM 1207 O ILE A 77 -10.176 3.529 -4.525 1.00 0.00 O ATOM 1208 CB ILE A 77 -10.719 0.663 -5.609 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -10.761 0.895 -4.097 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -9.678 -0.390 -5.959 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.246 -0.305 -3.314 1.00 0.00 C ATOM 0 H ILE A 77 -8.764 1.361 -7.476 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.357 2.465 -6.608 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.696 0.302 -5.930 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.763 1.165 -3.751 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.412 1.743 -3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.906 -1.316 -5.431 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.692 -0.572 -7.034 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.690 -0.037 -5.663 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.250 -0.068 -2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.256 -0.563 -3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.582 -1.150 -3.495 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.310 2.959 -5.646 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.436 3.798 -4.836 1.00 0.00 C ATOM 1225 C ALA A 78 -6.462 4.581 -5.710 1.00 0.00 C ATOM 1226 O ALA A 78 -6.174 4.189 -6.841 1.00 0.00 O ATOM 1227 CB ALA A 78 -6.677 2.950 -3.826 1.00 0.00 C ATOM 0 H ALA A 78 -7.832 2.440 -6.383 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.058 4.514 -4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.028 3.590 -3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.386 2.440 -3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.073 2.211 -4.352 1.00 0.00 H new ATOM 1233 N THR A 79 -5.958 5.691 -5.180 1.00 0.00 N ATOM 1234 CA THR A 79 -5.018 6.530 -5.913 1.00 0.00 C ATOM 1235 C THR A 79 -4.064 7.245 -4.963 1.00 0.00 C ATOM 1236 O THR A 79 -4.473 7.738 -3.911 1.00 0.00 O ATOM 1237 CB THR A 79 -5.752 7.577 -6.771 1.00 0.00 C ATOM 1238 OG1 THR A 79 -4.805 8.339 -7.529 1.00 0.00 O ATOM 1239 CG2 THR A 79 -6.578 8.510 -5.899 1.00 0.00 C ATOM 0 H THR A 79 -6.185 6.030 -4.245 1.00 0.00 H new ATOM 0 HA THR A 79 -4.448 5.870 -6.567 1.00 0.00 H new ATOM 0 HB THR A 79 -6.423 7.051 -7.450 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.279 9.002 -8.073 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.087 9.240 -6.528 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.317 7.931 -5.345 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.923 9.028 -5.198 1.00 0.00 H new ATOM 1247 N PHE A 80 -2.791 7.300 -5.341 1.00 0.00 N ATOM 1248 CA PHE A 80 -1.779 7.956 -4.522 1.00 0.00 C ATOM 1249 C PHE A 80 -2.290 9.292 -3.990 1.00 0.00 C ATOM 1250 O PHE A 80 -2.394 10.268 -4.732 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.499 8.173 -5.332 1.00 0.00 C ATOM 1252 CG PHE A 80 0.488 7.048 -5.207 1.00 0.00 C ATOM 1253 CD1 PHE A 80 1.219 6.877 -4.041 1.00 0.00 C ATOM 1254 CD2 PHE A 80 0.687 6.163 -6.253 1.00 0.00 C ATOM 1255 CE1 PHE A 80 2.128 5.843 -3.922 1.00 0.00 C ATOM 1256 CE2 PHE A 80 1.595 5.127 -6.140 1.00 0.00 C ATOM 1257 CZ PHE A 80 2.317 4.967 -4.973 1.00 0.00 C ATOM 0 H PHE A 80 -2.436 6.898 -6.209 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.559 7.308 -3.674 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.761 8.301 -6.382 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.025 9.099 -5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.076 7.560 -3.216 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.126 6.284 -7.168 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.690 5.720 -3.008 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.740 4.443 -6.963 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.028 4.159 -4.883 1.00 0.00 H new ATOM 1267 N SER A 81 -2.609 9.326 -2.700 1.00 0.00 N ATOM 1268 CA SER A 81 -3.114 10.539 -2.070 1.00 0.00 C ATOM 1269 C SER A 81 -1.970 11.485 -1.717 1.00 0.00 C ATOM 1270 O SER A 81 -1.887 12.597 -2.238 1.00 0.00 O ATOM 1271 CB SER A 81 -3.909 10.191 -0.810 1.00 0.00 C ATOM 1272 OG SER A 81 -4.662 11.304 -0.359 1.00 0.00 O ATOM 0 H SER A 81 -2.526 8.527 -2.071 1.00 0.00 H new ATOM 0 HA SER A 81 -3.772 11.041 -2.780 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.578 9.355 -1.017 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.227 9.866 -0.024 1.00 0.00 H new ATOM 0 HG SER A 81 -4.391 12.105 -0.854 1.00 0.00 H new ATOM 1278 N SER A 82 -1.090 11.034 -0.829 1.00 0.00 N ATOM 1279 CA SER A 82 0.048 11.841 -0.403 1.00 0.00 C ATOM 1280 C SER A 82 1.362 11.200 -0.840 1.00 0.00 C ATOM 1281 O SER A 82 1.885 10.311 -0.168 1.00 0.00 O ATOM 1282 CB SER A 82 0.034 12.018 1.116 1.00 0.00 C ATOM 1283 OG SER A 82 0.632 13.247 1.492 1.00 0.00 O ATOM 0 H SER A 82 -1.143 10.115 -0.391 1.00 0.00 H new ATOM 0 HA SER A 82 -0.034 12.819 -0.876 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.993 11.983 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.567 11.192 1.586 1.00 0.00 H new ATOM 0 HG SER A 82 0.609 13.337 2.468 1.00 0.00 H new ATOM 1289 N ARG A 83 1.889 11.658 -1.971 1.00 0.00 N ATOM 1290 CA ARG A 83 3.141 11.129 -2.499 1.00 0.00 C ATOM 1291 C ARG A 83 4.087 10.739 -1.367 1.00 0.00 C ATOM 1292 O ARG A 83 4.262 11.469 -0.392 1.00 0.00 O ATOM 1293 CB ARG A 83 3.813 12.162 -3.407 1.00 0.00 C ATOM 1294 CG ARG A 83 5.086 11.657 -4.065 1.00 0.00 C ATOM 1295 CD ARG A 83 4.795 10.986 -5.399 1.00 0.00 C ATOM 1296 NE ARG A 83 6.002 10.433 -6.008 1.00 0.00 N ATOM 1297 CZ ARG A 83 6.022 9.854 -7.203 1.00 0.00 C ATOM 1298 NH1 ARG A 83 4.908 9.753 -7.914 1.00 0.00 N ATOM 1299 NH2 ARG A 83 7.160 9.374 -7.690 1.00 0.00 N ATOM 0 H ARG A 83 1.469 12.394 -2.539 1.00 0.00 H new ATOM 0 HA ARG A 83 2.912 10.237 -3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.109 12.465 -4.182 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.045 13.052 -2.822 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.773 12.489 -4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.584 10.950 -3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.065 10.190 -5.253 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.345 11.710 -6.078 1.00 0.00 H new ATOM 0 HE ARG A 83 6.877 10.495 -5.487 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.032 10.121 -7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.927 9.308 -8.831 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.020 9.450 -7.146 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.175 8.929 -8.608 1.00 0.00 H new ATOM 1313 N PRO A 84 4.712 9.559 -1.498 1.00 0.00 N ATOM 1314 CA PRO A 84 5.650 9.045 -0.497 1.00 0.00 C ATOM 1315 C PRO A 84 6.951 9.841 -0.458 1.00 0.00 C ATOM 1316 O PRO A 84 7.701 9.872 -1.434 1.00 0.00 O ATOM 1317 CB PRO A 84 5.915 7.611 -0.961 1.00 0.00 C ATOM 1318 CG PRO A 84 5.651 7.633 -2.427 1.00 0.00 C ATOM 1319 CD PRO A 84 4.551 8.637 -2.635 1.00 0.00 C ATOM 0 HA PRO A 84 5.245 9.113 0.513 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.940 7.309 -0.748 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.262 6.903 -0.452 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.547 7.915 -2.981 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.353 6.648 -2.785 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.654 9.154 -3.589 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.569 8.164 -2.633 1.00 0.00 H new ATOM 1327 N LYS A 85 7.213 10.482 0.675 1.00 0.00 N ATOM 1328 CA LYS A 85 8.424 11.277 0.843 1.00 0.00 C ATOM 1329 C LYS A 85 9.304 10.702 1.948 1.00 0.00 C ATOM 1330 O LYS A 85 8.852 9.889 2.754 1.00 0.00 O ATOM 1331 CB LYS A 85 8.065 12.729 1.166 1.00 0.00 C ATOM 1332 CG LYS A 85 7.254 12.886 2.440 1.00 0.00 C ATOM 1333 CD LYS A 85 5.765 12.745 2.175 1.00 0.00 C ATOM 1334 CE LYS A 85 5.029 12.217 3.396 1.00 0.00 C ATOM 1335 NZ LYS A 85 4.840 13.273 4.430 1.00 0.00 N ATOM 0 H LYS A 85 6.602 10.467 1.492 1.00 0.00 H new ATOM 0 HA LYS A 85 8.981 11.246 -0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.983 13.310 1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.502 13.149 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.568 12.136 3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.455 13.862 2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.352 13.713 1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.606 12.071 1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.057 11.827 3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.587 11.385 3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.334 12.873 5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.768 13.628 4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.285 14.056 4.029 1.00 0.00 H new ATOM 1349 N ALA A 86 10.562 11.130 1.980 1.00 0.00 N ATOM 1350 CA ALA A 86 11.503 10.660 2.989 1.00 0.00 C ATOM 1351 C ALA A 86 11.164 11.228 4.363 1.00 0.00 C ATOM 1352 O ALA A 86 10.972 12.435 4.516 1.00 0.00 O ATOM 1353 CB ALA A 86 12.925 11.033 2.598 1.00 0.00 C ATOM 0 H ALA A 86 10.953 11.801 1.319 1.00 0.00 H new ATOM 0 HA ALA A 86 11.426 9.574 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.617 10.676 3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.171 10.574 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.007 12.117 2.513 1.00 0.00 H new ATOM 1359 N ILE A 87 11.092 10.352 5.359 1.00 0.00 N ATOM 1360 CA ILE A 87 10.777 10.767 6.720 1.00 0.00 C ATOM 1361 C ILE A 87 11.809 10.237 7.709 1.00 0.00 C ATOM 1362 O ILE A 87 12.621 9.375 7.373 1.00 0.00 O ATOM 1363 CB ILE A 87 9.378 10.283 7.146 1.00 0.00 C ATOM 1364 CG1 ILE A 87 9.348 8.756 7.238 1.00 0.00 C ATOM 1365 CG2 ILE A 87 8.324 10.781 6.168 1.00 0.00 C ATOM 1366 CD1 ILE A 87 8.371 8.231 8.266 1.00 0.00 C ATOM 0 H ILE A 87 11.248 9.350 5.249 1.00 0.00 H new ATOM 0 HA ILE A 87 10.794 11.857 6.730 1.00 0.00 H new ATOM 0 HB ILE A 87 9.153 10.692 8.131 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.090 8.346 6.261 1.00 0.00 H new ATOM 0 HG13 ILE A 87 10.347 8.395 7.481 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.341 10.431 6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.332 11.871 6.149 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.543 10.399 5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.404 7.142 8.276 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.640 8.611 9.251 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.364 8.561 8.013 1.00 0.00 H new ATOM 1378 N ARG A 88 11.770 10.757 8.932 1.00 0.00 N ATOM 1379 CA ARG A 88 12.702 10.336 9.971 1.00 0.00 C ATOM 1380 C ARG A 88 14.127 10.270 9.430 1.00 0.00 C ATOM 1381 O ARG A 88 14.813 9.260 9.581 1.00 0.00 O ATOM 1382 CB ARG A 88 12.293 8.971 10.530 1.00 0.00 C ATOM 1383 CG ARG A 88 11.090 9.028 11.456 1.00 0.00 C ATOM 1384 CD ARG A 88 9.785 8.947 10.680 1.00 0.00 C ATOM 1385 NE ARG A 88 8.711 9.688 11.336 1.00 0.00 N ATOM 1386 CZ ARG A 88 8.136 9.300 12.469 1.00 0.00 C ATOM 1387 NH1 ARG A 88 8.529 8.185 13.068 1.00 0.00 N ATOM 1388 NH2 ARG A 88 7.165 10.029 13.005 1.00 0.00 N ATOM 0 H ARG A 88 11.103 11.470 9.227 1.00 0.00 H new ATOM 0 HA ARG A 88 12.671 11.074 10.773 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.071 8.300 9.700 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.137 8.541 11.070 1.00 0.00 H new ATOM 0 HG2 ARG A 88 11.141 8.207 12.171 1.00 0.00 H new ATOM 0 HG3 ARG A 88 11.116 9.954 12.031 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.936 9.341 9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.492 7.903 10.572 1.00 0.00 H new ATOM 0 HE ARG A 88 8.385 10.551 10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.275 7.622 12.659 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.086 7.890 13.938 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.860 10.888 12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.724 9.730 13.875 1.00 0.00 H new ATOM 1402 N GLY A 89 14.565 11.355 8.797 1.00 0.00 N ATOM 1403 CA GLY A 89 15.905 11.399 8.243 1.00 0.00 C ATOM 1404 C GLY A 89 15.998 10.710 6.896 1.00 0.00 C ATOM 1405 O GLY A 89 17.083 10.579 6.331 1.00 0.00 O ATOM 0 H GLY A 89 14.016 12.203 8.658 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.218 12.438 8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.598 10.926 8.938 1.00 0.00 H new ATOM 1409 N GLY A 90 14.856 10.265 6.380 1.00 0.00 N ATOM 1410 CA GLY A 90 14.836 9.588 5.096 1.00 0.00 C ATOM 1411 C GLY A 90 15.049 8.093 5.225 1.00 0.00 C ATOM 1412 O GLY A 90 15.121 7.379 4.224 1.00 0.00 O ATOM 0 H GLY A 90 13.945 10.361 6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.881 9.775 4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.611 10.008 4.455 1.00 0.00 H new ATOM 1416 N THR A 91 15.152 7.616 6.462 1.00 0.00 N ATOM 1417 CA THR A 91 15.361 6.197 6.719 1.00 0.00 C ATOM 1418 C THR A 91 14.090 5.397 6.456 1.00 0.00 C ATOM 1419 O THR A 91 14.128 4.173 6.341 1.00 0.00 O ATOM 1420 CB THR A 91 15.819 5.950 8.169 1.00 0.00 C ATOM 1421 OG1 THR A 91 16.030 4.550 8.384 1.00 0.00 O ATOM 1422 CG2 THR A 91 14.787 6.470 9.158 1.00 0.00 C ATOM 0 H THR A 91 15.094 8.192 7.302 1.00 0.00 H new ATOM 0 HA THR A 91 16.144 5.865 6.037 1.00 0.00 H new ATOM 0 HB THR A 91 16.754 6.487 8.328 1.00 0.00 H new ATOM 0 HG1 THR A 91 15.549 4.038 7.701 1.00 0.00 H new ATOM 0 HG21 THR A 91 15.132 6.285 10.175 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.650 7.541 9.011 1.00 0.00 H new ATOM 0 HG23 THR A 91 13.839 5.957 8.997 1.00 0.00 H new ATOM 1430 N ALA A 92 12.965 6.098 6.361 1.00 0.00 N ATOM 1431 CA ALA A 92 11.682 5.453 6.109 1.00 0.00 C ATOM 1432 C ALA A 92 10.758 6.364 5.308 1.00 0.00 C ATOM 1433 O ALA A 92 10.904 7.586 5.329 1.00 0.00 O ATOM 1434 CB ALA A 92 11.025 5.054 7.422 1.00 0.00 C ATOM 0 H ALA A 92 12.916 7.113 6.455 1.00 0.00 H new ATOM 0 HA ALA A 92 11.864 4.555 5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 92 10.068 4.574 7.219 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.673 4.360 7.957 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.863 5.942 8.032 1.00 0.00 H new ATOM 1440 N SER A 93 9.807 5.761 4.601 1.00 0.00 N ATOM 1441 CA SER A 93 8.861 6.518 3.790 1.00 0.00 C ATOM 1442 C SER A 93 7.436 6.336 4.303 1.00 0.00 C ATOM 1443 O SER A 93 7.061 5.254 4.752 1.00 0.00 O ATOM 1444 CB SER A 93 8.948 6.080 2.326 1.00 0.00 C ATOM 1445 OG SER A 93 8.248 6.978 1.483 1.00 0.00 O ATOM 0 H SER A 93 9.672 4.750 4.574 1.00 0.00 H new ATOM 0 HA SER A 93 9.122 7.574 3.863 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.993 6.029 2.020 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.534 5.077 2.218 1.00 0.00 H new ATOM 0 HG SER A 93 8.352 7.892 1.821 1.00 0.00 H new ATOM 1451 N MET A 94 6.648 7.404 4.234 1.00 0.00 N ATOM 1452 CA MET A 94 5.264 7.362 4.691 1.00 0.00 C ATOM 1453 C MET A 94 4.333 8.002 3.665 1.00 0.00 C ATOM 1454 O MET A 94 4.615 9.083 3.147 1.00 0.00 O ATOM 1455 CB MET A 94 5.127 8.077 6.037 1.00 0.00 C ATOM 1456 CG MET A 94 3.690 8.409 6.405 1.00 0.00 C ATOM 1457 SD MET A 94 3.175 10.029 5.802 1.00 0.00 S ATOM 1458 CE MET A 94 1.563 9.640 5.124 1.00 0.00 C ATOM 0 H MET A 94 6.944 8.308 3.866 1.00 0.00 H new ATOM 0 HA MET A 94 4.979 6.317 4.812 1.00 0.00 H new ATOM 0 HB2 MET A 94 5.558 7.450 6.818 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.709 8.998 6.011 1.00 0.00 H new ATOM 0 HG2 MET A 94 3.028 7.646 5.995 1.00 0.00 H new ATOM 0 HG3 MET A 94 3.580 8.377 7.489 1.00 0.00 H new ATOM 0 HE1 MET A 94 1.475 10.068 4.126 1.00 0.00 H new ATOM 0 HE2 MET A 94 1.444 8.558 5.066 1.00 0.00 H new ATOM 0 HE3 MET A 94 0.788 10.057 5.767 1.00 0.00 H new ATOM 1468 N CYS A 95 3.226 7.328 3.377 1.00 0.00 N ATOM 1469 CA CYS A 95 2.254 7.830 2.412 1.00 0.00 C ATOM 1470 C CYS A 95 0.849 7.344 2.751 1.00 0.00 C ATOM 1471 O CYS A 95 0.678 6.356 3.465 1.00 0.00 O ATOM 1472 CB CYS A 95 2.633 7.387 0.998 1.00 0.00 C ATOM 1473 SG CYS A 95 2.183 5.679 0.614 1.00 0.00 S ATOM 0 H CYS A 95 2.979 6.432 3.798 1.00 0.00 H new ATOM 0 HA CYS A 95 2.262 8.919 2.458 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.150 8.049 0.280 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.709 7.506 0.868 1.00 0.00 H new ATOM 0 HG CYS A 95 3.247 4.933 0.645 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.155 8.046 2.236 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.546 7.686 2.484 1.00 0.00 C ATOM 1481 C VAL A 96 -2.239 7.248 1.199 1.00 0.00 C ATOM 1482 O VAL A 96 -1.850 7.653 0.103 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.328 8.861 3.101 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.770 8.459 3.372 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.651 9.340 4.376 1.00 0.00 C ATOM 0 H VAL A 96 -0.031 8.868 1.644 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.536 6.855 3.189 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.334 9.685 2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.307 9.302 3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.249 8.168 2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.789 7.619 4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.217 10.170 4.798 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.613 8.523 5.097 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.638 9.670 4.148 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.267 6.418 1.340 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.014 5.924 0.190 1.00 0.00 C ATOM 1497 C PHE A 97 -5.455 6.426 0.221 1.00 0.00 C ATOM 1498 O PHE A 97 -6.194 6.166 1.171 1.00 0.00 O ATOM 1499 CB PHE A 97 -3.996 4.394 0.162 1.00 0.00 C ATOM 1500 CG PHE A 97 -2.712 3.820 -0.364 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.595 3.725 0.450 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.622 3.374 -1.673 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -0.412 3.197 -0.032 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -1.442 2.845 -2.161 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.336 2.756 -1.339 1.00 0.00 C ATOM 0 H PHE A 97 -3.602 6.073 2.240 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.535 6.303 -0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.167 4.018 1.171 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.822 4.040 -0.454 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.649 4.067 1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.484 3.441 -2.320 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.452 3.129 0.612 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.385 2.502 -3.183 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.587 2.342 -1.717 1.00 0.00 H new ATOM 1515 N ARG A 98 -5.847 7.147 -0.824 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.197 7.687 -0.917 1.00 0.00 C ATOM 1517 C ARG A 98 -7.990 6.984 -2.015 1.00 0.00 C ATOM 1518 O ARG A 98 -7.416 6.369 -2.914 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.150 9.192 -1.191 1.00 0.00 C ATOM 1520 CG ARG A 98 -6.659 9.541 -2.586 1.00 0.00 C ATOM 1521 CD ARG A 98 -6.628 11.046 -2.805 1.00 0.00 C ATOM 1522 NE ARG A 98 -6.633 11.393 -4.224 1.00 0.00 N ATOM 1523 CZ ARG A 98 -7.654 11.146 -5.037 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -8.746 10.553 -4.574 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -7.584 11.492 -6.316 1.00 0.00 N ATOM 0 H ARG A 98 -5.248 7.371 -1.619 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.697 7.513 0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.147 9.610 -1.051 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.499 9.666 -0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.661 9.130 -2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.309 9.077 -3.328 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.490 11.501 -2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -5.738 11.463 -2.333 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.808 11.850 -4.612 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.803 10.285 -3.591 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.529 10.365 -5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.746 11.948 -6.676 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.369 11.302 -6.939 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.314 7.079 -1.935 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.186 6.452 -2.922 1.00 0.00 C ATOM 1541 C HIS A 99 -10.835 7.502 -3.818 1.00 0.00 C ATOM 1542 O HIS A 99 -11.054 8.640 -3.400 1.00 0.00 O ATOM 1543 CB HIS A 99 -11.265 5.621 -2.225 1.00 0.00 C ATOM 1544 CG HIS A 99 -12.511 6.393 -1.920 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -12.504 7.730 -1.580 1.00 0.00 N ATOM 1546 CD2 HIS A 99 -13.809 6.010 -1.905 1.00 0.00 C ATOM 1547 CE1 HIS A 99 -13.744 8.134 -1.368 1.00 0.00 C ATOM 1548 NE2 HIS A 99 -14.555 7.110 -1.559 1.00 0.00 N ATOM 0 H HIS A 99 -9.806 7.584 -1.198 1.00 0.00 H new ATOM 0 HA HIS A 99 -9.578 5.795 -3.544 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.520 4.769 -2.856 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -10.860 5.220 -1.296 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -11.672 8.315 -1.504 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -14.188 5.023 -2.124 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -14.043 9.133 -1.086 1.00 0.00 H new