USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 713 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 13 SER OG : rot -88:sc= -0.927 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 1.27 (180deg=0.961) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -2.65 K(o=-2.7,f=-0.53) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -56:sc= -0.924! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -4.94! C(o=-4.9!,f=-9.2!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 80 THR OG1 : rot -160:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HE2:sc= -1.27 K(o=-1.3,f=-2.6) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N TRP A 12 -7.424 -2.142 2.507 1.00 0.00 N ATOM 130 CA TRP A 12 -7.106 -1.028 1.621 1.00 0.00 C ATOM 131 C TRP A 12 -8.242 -0.774 0.636 1.00 0.00 C ATOM 132 O TRP A 12 -9.274 -1.444 0.679 1.00 0.00 O ATOM 133 CB TRP A 12 -5.809 -1.309 0.860 1.00 0.00 C ATOM 134 CG TRP A 12 -4.648 -1.615 1.758 1.00 0.00 C ATOM 135 CD1 TRP A 12 -3.883 -0.716 2.444 1.00 0.00 C ATOM 136 CD2 TRP A 12 -4.121 -2.911 2.065 1.00 0.00 C ATOM 137 NE1 TRP A 12 -2.911 -1.375 3.159 1.00 0.00 N ATOM 138 CE2 TRP A 12 -3.037 -2.721 2.944 1.00 0.00 C ATOM 139 CE3 TRP A 12 -4.460 -4.212 1.684 1.00 0.00 C ATOM 140 CZ2 TRP A 12 -2.291 -3.785 3.445 1.00 0.00 C ATOM 141 CZ3 TRP A 12 -3.719 -5.266 2.183 1.00 0.00 C ATOM 142 CH2 TRP A 12 -2.646 -5.048 3.056 1.00 0.00 C ATOM 0 HA TRP A 12 -6.974 -0.136 2.233 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.968 -2.149 0.184 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.564 -0.445 0.243 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.021 0.355 2.427 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.210 -0.933 3.753 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.286 -4.390 1.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.462 -3.619 4.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.972 -6.276 1.895 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.088 -5.893 3.430 1.00 0.00 H new ATOM 153 N SER A 13 -8.046 0.198 -0.250 1.00 0.00 N ATOM 154 CA SER A 13 -9.056 0.542 -1.243 1.00 0.00 C ATOM 155 C SER A 13 -8.609 0.125 -2.640 1.00 0.00 C ATOM 156 O SER A 13 -7.431 0.201 -2.992 1.00 0.00 O ATOM 157 CB SER A 13 -9.340 2.045 -1.213 1.00 0.00 C ATOM 158 OG SER A 13 -10.675 2.320 -1.598 1.00 0.00 O ATOM 0 H SER A 13 -7.197 0.761 -0.300 1.00 0.00 H new ATOM 0 HA SER A 13 -9.970 0.002 -0.997 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.161 2.432 -0.210 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.652 2.562 -1.882 1.00 0.00 H new ATOM 0 HG SER A 13 -10.720 2.422 -2.572 1.00 0.00 H new ATOM 164 N PRO A 14 -9.571 -0.328 -3.458 1.00 0.00 N ATOM 165 CA PRO A 14 -9.302 -0.766 -4.831 1.00 0.00 C ATOM 166 C PRO A 14 -8.932 0.395 -5.748 1.00 0.00 C ATOM 167 O PRO A 14 -8.726 0.209 -6.947 1.00 0.00 O ATOM 168 CB PRO A 14 -10.627 -1.393 -5.270 1.00 0.00 C ATOM 169 CG PRO A 14 -11.659 -0.726 -4.426 1.00 0.00 C ATOM 170 CD PRO A 14 -10.996 -0.446 -3.106 1.00 0.00 C ATOM 0 HA PRO A 14 -8.454 -1.449 -4.882 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.813 -1.224 -6.331 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.625 -2.472 -5.115 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.007 0.196 -4.891 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.531 -1.367 -4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.375 0.470 -2.652 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.168 -1.251 -2.391 1.00 0.00 H new ATOM 178 N GLU A 15 -8.849 1.592 -5.176 1.00 0.00 N ATOM 179 CA GLU A 15 -8.504 2.783 -5.944 1.00 0.00 C ATOM 180 C GLU A 15 -7.078 3.233 -5.638 1.00 0.00 C ATOM 181 O GLU A 15 -6.768 3.630 -4.515 1.00 0.00 O ATOM 182 CB GLU A 15 -9.485 3.916 -5.637 1.00 0.00 C ATOM 183 CG GLU A 15 -9.152 4.684 -4.369 1.00 0.00 C ATOM 184 CD GLU A 15 -10.342 5.443 -3.817 1.00 0.00 C ATOM 185 OE1 GLU A 15 -11.205 5.858 -4.619 1.00 0.00 O ATOM 186 OE2 GLU A 15 -10.412 5.622 -2.583 1.00 0.00 O ATOM 0 H GLU A 15 -9.016 1.763 -4.184 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.568 2.533 -7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.501 4.609 -6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.489 3.501 -5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.787 3.989 -3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.343 5.385 -4.575 1.00 0.00 H new ATOM 193 N VAL A 16 -6.214 3.168 -6.646 1.00 0.00 N ATOM 194 CA VAL A 16 -4.822 3.569 -6.487 1.00 0.00 C ATOM 195 C VAL A 16 -4.644 5.058 -6.762 1.00 0.00 C ATOM 196 O VAL A 16 -5.258 5.610 -7.675 1.00 0.00 O ATOM 197 CB VAL A 16 -3.897 2.771 -7.425 1.00 0.00 C ATOM 198 CG1 VAL A 16 -4.427 2.800 -8.850 1.00 0.00 C ATOM 199 CG2 VAL A 16 -2.478 3.316 -7.364 1.00 0.00 C ATOM 0 H VAL A 16 -6.454 2.841 -7.582 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.548 3.358 -5.453 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.878 1.734 -7.091 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.760 2.231 -9.498 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.423 2.358 -8.877 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.478 3.832 -9.198 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.838 2.740 -8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.476 4.362 -7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.101 3.237 -6.344 1.00 0.00 H new ATOM 209 N LYS A 17 -3.798 5.704 -5.966 1.00 0.00 N ATOM 210 CA LYS A 17 -3.536 7.130 -6.123 1.00 0.00 C ATOM 211 C LYS A 17 -2.047 7.390 -6.326 1.00 0.00 C ATOM 212 O LYS A 17 -1.214 6.922 -5.548 1.00 0.00 O ATOM 213 CB LYS A 17 -4.038 7.899 -4.899 1.00 0.00 C ATOM 214 CG LYS A 17 -3.502 7.364 -3.583 1.00 0.00 C ATOM 215 CD LYS A 17 -4.481 7.602 -2.445 1.00 0.00 C ATOM 216 CE LYS A 17 -4.250 8.953 -1.785 1.00 0.00 C ATOM 217 NZ LYS A 17 -5.505 9.512 -1.211 1.00 0.00 N ATOM 0 H LYS A 17 -3.282 5.262 -5.205 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.071 7.478 -7.007 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.755 8.947 -4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.127 7.863 -4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.304 6.296 -3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.551 7.846 -3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.501 7.551 -2.825 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.377 6.811 -1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.505 8.849 -0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.844 9.650 -2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.305 10.433 -0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.208 9.635 -1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.880 8.859 -0.493 1.00 0.00 H new ATOM 231 N ILE A 18 -1.719 8.139 -7.373 1.00 0.00 N ATOM 232 CA ILE A 18 -0.330 8.463 -7.675 1.00 0.00 C ATOM 233 C ILE A 18 0.095 9.754 -6.984 1.00 0.00 C ATOM 234 O ILE A 18 -0.502 10.810 -7.195 1.00 0.00 O ATOM 235 CB ILE A 18 -0.103 8.606 -9.191 1.00 0.00 C ATOM 236 CG1 ILE A 18 -0.513 7.322 -9.914 1.00 0.00 C ATOM 237 CG2 ILE A 18 1.353 8.941 -9.479 1.00 0.00 C ATOM 238 CD1 ILE A 18 0.362 6.134 -9.579 1.00 0.00 C ATOM 0 H ILE A 18 -2.396 8.533 -8.026 1.00 0.00 H new ATOM 0 HA ILE A 18 0.276 7.637 -7.302 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.724 9.422 -9.561 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.546 7.085 -9.659 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.481 7.494 -10.990 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.498 9.039 -10.555 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.614 9.880 -8.991 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.992 8.144 -9.098 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.013 5.259 -10.127 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.393 6.351 -9.859 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.311 5.935 -8.508 1.00 0.00 H new ATOM 250 N VAL A 19 1.134 9.663 -6.160 1.00 0.00 N ATOM 251 CA VAL A 19 1.643 10.825 -5.440 1.00 0.00 C ATOM 252 C VAL A 19 2.980 11.283 -6.011 1.00 0.00 C ATOM 253 O VAL A 19 3.884 10.475 -6.222 1.00 0.00 O ATOM 254 CB VAL A 19 1.813 10.524 -3.939 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.449 11.708 -3.226 1.00 0.00 C ATOM 256 CG2 VAL A 19 0.474 10.170 -3.311 1.00 0.00 C ATOM 0 H VAL A 19 1.640 8.797 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 19 0.908 11.621 -5.562 1.00 0.00 H new ATOM 0 HB VAL A 19 2.476 9.666 -3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.561 11.477 -2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.429 11.910 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.813 12.586 -3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.614 9.960 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.215 11.006 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.063 9.289 -3.804 1.00 0.00 H new ATOM 266 N GLU A 20 3.098 12.584 -6.257 1.00 0.00 N ATOM 267 CA GLU A 20 4.326 13.149 -6.804 1.00 0.00 C ATOM 268 C GLU A 20 5.284 13.552 -5.687 1.00 0.00 C ATOM 269 O GLU A 20 5.078 14.561 -5.010 1.00 0.00 O ATOM 270 CB GLU A 20 4.009 14.361 -7.681 1.00 0.00 C ATOM 271 CG GLU A 20 3.734 14.007 -9.133 1.00 0.00 C ATOM 272 CD GLU A 20 2.876 15.043 -9.834 1.00 0.00 C ATOM 273 OE1 GLU A 20 2.879 16.211 -9.392 1.00 0.00 O ATOM 274 OE2 GLU A 20 2.203 14.686 -10.823 1.00 0.00 O ATOM 0 H GLU A 20 2.359 13.266 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 20 4.808 12.384 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.141 14.878 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.845 15.059 -7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.681 13.905 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.237 13.038 -9.179 1.00 0.00 H new ATOM 281 N LEU A 21 6.332 12.757 -5.498 1.00 0.00 N ATOM 282 CA LEU A 21 7.322 13.029 -4.463 1.00 0.00 C ATOM 283 C LEU A 21 8.652 13.452 -5.079 1.00 0.00 C ATOM 284 O LEU A 21 9.200 12.759 -5.936 1.00 0.00 O ATOM 285 CB LEU A 21 7.525 11.793 -3.585 1.00 0.00 C ATOM 286 CG LEU A 21 6.471 11.560 -2.501 1.00 0.00 C ATOM 287 CD1 LEU A 21 6.987 10.581 -1.457 1.00 0.00 C ATOM 288 CD2 LEU A 21 6.076 12.877 -1.850 1.00 0.00 C ATOM 0 H LEU A 21 6.517 11.919 -6.049 1.00 0.00 H new ATOM 0 HA LEU A 21 6.951 13.848 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.555 10.915 -4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.501 11.869 -3.105 1.00 0.00 H new ATOM 0 HG LEU A 21 5.586 11.129 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.224 10.427 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.220 9.629 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.887 10.984 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.325 12.692 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.954 13.337 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.665 13.547 -2.605 1.00 0.00 H new ATOM 300 N VAL A 22 9.167 14.595 -4.635 1.00 0.00 N ATOM 301 CA VAL A 22 10.434 15.109 -5.141 1.00 0.00 C ATOM 302 C VAL A 22 11.603 14.620 -4.293 1.00 0.00 C ATOM 303 O VAL A 22 11.889 15.174 -3.231 1.00 0.00 O ATOM 304 CB VAL A 22 10.444 16.649 -5.169 1.00 0.00 C ATOM 305 CG1 VAL A 22 11.819 17.168 -5.559 1.00 0.00 C ATOM 306 CG2 VAL A 22 9.379 17.170 -6.122 1.00 0.00 C ATOM 0 H VAL A 22 8.726 15.182 -3.927 1.00 0.00 H new ATOM 0 HA VAL A 22 10.544 14.734 -6.158 1.00 0.00 H new ATOM 0 HB VAL A 22 10.215 17.015 -4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.806 18.258 -5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.557 16.823 -4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.081 16.795 -6.549 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.400 18.260 -6.130 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.576 16.796 -7.127 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.398 16.828 -5.793 1.00 0.00 H new ATOM 316 N LYS A 23 12.277 13.579 -4.768 1.00 0.00 N ATOM 317 CA LYS A 23 13.417 13.015 -4.056 1.00 0.00 C ATOM 318 C LYS A 23 14.588 13.992 -4.041 1.00 0.00 C ATOM 319 O LYS A 23 14.724 14.826 -4.937 1.00 0.00 O ATOM 320 CB LYS A 23 13.848 11.696 -4.703 1.00 0.00 C ATOM 321 CG LYS A 23 15.169 11.163 -4.176 1.00 0.00 C ATOM 322 CD LYS A 23 15.412 9.732 -4.626 1.00 0.00 C ATOM 323 CE LYS A 23 16.889 9.373 -4.568 1.00 0.00 C ATOM 324 NZ LYS A 23 17.097 7.924 -4.293 1.00 0.00 N ATOM 0 H LYS A 23 12.053 13.108 -5.645 1.00 0.00 H new ATOM 0 HA LYS A 23 13.112 12.825 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.072 10.949 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.927 11.839 -5.781 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.984 11.798 -4.524 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.172 11.209 -3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.845 9.049 -3.993 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.045 9.602 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.364 9.635 -5.513 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.376 9.964 -3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.089 7.760 -4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.476 7.626 -3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.871 7.373 -5.146 1.00 0.00 H new ATOM 338 N ASP A 24 15.431 13.884 -3.021 1.00 0.00 N ATOM 339 CA ASP A 24 16.592 14.757 -2.891 1.00 0.00 C ATOM 340 C ASP A 24 17.869 13.941 -2.718 1.00 0.00 C ATOM 341 O ASP A 24 17.832 12.710 -2.692 1.00 0.00 O ATOM 342 CB ASP A 24 16.414 15.706 -1.705 1.00 0.00 C ATOM 343 CG ASP A 24 16.109 14.969 -0.415 1.00 0.00 C ATOM 344 OD1 ASP A 24 15.856 13.748 -0.476 1.00 0.00 O ATOM 345 OD2 ASP A 24 16.121 15.614 0.654 1.00 0.00 O ATOM 0 H ASP A 24 15.332 13.200 -2.271 1.00 0.00 H new ATOM 0 HA ASP A 24 16.678 15.344 -3.806 1.00 0.00 H new ATOM 0 HB2 ASP A 24 17.321 16.297 -1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.606 16.405 -1.921 1.00 0.00 H new ATOM 350 N CYS A 25 18.997 14.634 -2.602 1.00 0.00 N ATOM 351 CA CYS A 25 20.286 13.973 -2.434 1.00 0.00 C ATOM 352 C CYS A 25 20.160 12.760 -1.518 1.00 0.00 C ATOM 353 O CYS A 25 20.485 11.638 -1.907 1.00 0.00 O ATOM 354 CB CYS A 25 21.314 14.952 -1.864 1.00 0.00 C ATOM 355 SG CYS A 25 23.030 14.519 -2.234 1.00 0.00 S ATOM 0 H CYS A 25 19.045 15.653 -2.621 1.00 0.00 H new ATOM 0 HA CYS A 25 20.622 13.633 -3.413 1.00 0.00 H new ATOM 0 HB2 CYS A 25 21.109 15.948 -2.258 1.00 0.00 H new ATOM 0 HB3 CYS A 25 21.189 15.005 -0.782 1.00 0.00 H new ATOM 0 HG CYS A 25 23.824 15.407 -1.712 1.00 0.00 H new ATOM 361 N LYS A 26 19.688 12.992 -0.298 1.00 0.00 N ATOM 362 CA LYS A 26 19.519 11.919 0.675 1.00 0.00 C ATOM 363 C LYS A 26 18.583 10.841 0.138 1.00 0.00 C ATOM 364 O LYS A 26 18.905 9.654 0.170 1.00 0.00 O ATOM 365 CB LYS A 26 18.970 12.478 1.990 1.00 0.00 C ATOM 366 CG LYS A 26 17.658 13.228 1.832 1.00 0.00 C ATOM 367 CD LYS A 26 17.353 14.080 3.052 1.00 0.00 C ATOM 368 CE LYS A 26 17.034 13.222 4.266 1.00 0.00 C ATOM 369 NZ LYS A 26 15.592 12.851 4.319 1.00 0.00 N ATOM 0 H LYS A 26 19.415 13.915 0.041 1.00 0.00 H new ATOM 0 HA LYS A 26 20.495 11.470 0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.827 11.657 2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.711 13.147 2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.705 13.862 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.848 12.516 1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.207 14.721 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.509 14.736 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.641 12.317 4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.304 13.762 5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.415 12.266 5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.013 13.714 4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.340 12.314 3.465 1.00 0.00 H new ATOM 383 N GLY A 27 17.423 11.262 -0.356 1.00 0.00 N ATOM 384 CA GLY A 27 16.459 10.319 -0.894 1.00 0.00 C ATOM 385 C GLY A 27 15.031 10.687 -0.545 1.00 0.00 C ATOM 386 O GLY A 27 14.526 11.724 -0.977 1.00 0.00 O ATOM 0 H GLY A 27 17.133 12.239 -0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.565 10.275 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.678 9.322 -0.511 1.00 0.00 H new ATOM 390 N LEU A 28 14.377 9.836 0.238 1.00 0.00 N ATOM 391 CA LEU A 28 12.997 10.076 0.644 1.00 0.00 C ATOM 392 C LEU A 28 12.908 10.339 2.144 1.00 0.00 C ATOM 393 O LEU A 28 13.919 10.341 2.845 1.00 0.00 O ATOM 394 CB LEU A 28 12.119 8.879 0.272 1.00 0.00 C ATOM 395 CG LEU A 28 11.705 8.781 -1.197 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.266 10.140 -1.719 1.00 0.00 C ATOM 397 CD2 LEU A 28 12.847 8.229 -2.037 1.00 0.00 C ATOM 0 H LEU A 28 14.780 8.974 0.604 1.00 0.00 H new ATOM 0 HA LEU A 28 12.638 10.960 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.651 7.966 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.216 8.913 0.882 1.00 0.00 H new ATOM 0 HG LEU A 28 10.861 8.095 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.975 10.051 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.417 10.497 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.091 10.847 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.535 8.166 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.710 8.889 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.115 7.235 -1.678 1.00 0.00 H new ATOM 409 N GLY A 29 11.690 10.559 2.630 1.00 0.00 N ATOM 410 CA GLY A 29 11.492 10.818 4.044 1.00 0.00 C ATOM 411 C GLY A 29 10.475 9.882 4.668 1.00 0.00 C ATOM 412 O GLY A 29 9.778 10.252 5.613 1.00 0.00 O ATOM 0 H GLY A 29 10.838 10.562 2.070 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.444 10.716 4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.164 11.849 4.179 1.00 0.00 H new ATOM 416 N PHE A 30 10.389 8.667 4.138 1.00 0.00 N ATOM 417 CA PHE A 30 9.448 7.676 4.647 1.00 0.00 C ATOM 418 C PHE A 30 10.089 6.292 4.696 1.00 0.00 C ATOM 419 O PHE A 30 11.190 6.087 4.185 1.00 0.00 O ATOM 420 CB PHE A 30 8.192 7.638 3.774 1.00 0.00 C ATOM 421 CG PHE A 30 8.470 7.294 2.338 1.00 0.00 C ATOM 422 CD1 PHE A 30 8.562 5.972 1.934 1.00 0.00 C ATOM 423 CD2 PHE A 30 8.641 8.293 1.394 1.00 0.00 C ATOM 424 CE1 PHE A 30 8.817 5.652 0.614 1.00 0.00 C ATOM 425 CE2 PHE A 30 8.896 7.979 0.072 1.00 0.00 C ATOM 426 CZ PHE A 30 8.985 6.657 -0.318 1.00 0.00 C ATOM 0 H PHE A 30 10.959 8.345 3.356 1.00 0.00 H new ATOM 0 HA PHE A 30 9.169 7.964 5.661 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.495 6.908 4.186 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.699 8.609 3.818 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.433 5.182 2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.574 9.328 1.694 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.885 4.617 0.312 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.026 8.767 -0.655 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.186 6.410 -1.350 1.00 0.00 H new ATOM 436 N SER A 31 9.391 5.344 5.314 1.00 0.00 N ATOM 437 CA SER A 31 9.893 3.981 5.434 1.00 0.00 C ATOM 438 C SER A 31 8.862 2.976 4.929 1.00 0.00 C ATOM 439 O SER A 31 7.740 3.344 4.582 1.00 0.00 O ATOM 440 CB SER A 31 10.251 3.672 6.890 1.00 0.00 C ATOM 441 OG SER A 31 11.586 4.050 7.178 1.00 0.00 O ATOM 0 H SER A 31 8.476 5.495 5.739 1.00 0.00 H new ATOM 0 HA SER A 31 10.790 3.896 4.821 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.568 4.200 7.556 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.122 2.607 7.081 1.00 0.00 H new ATOM 0 HG SER A 31 11.790 3.844 8.114 1.00 0.00 H new ATOM 447 N ILE A 32 9.253 1.706 4.889 1.00 0.00 N ATOM 448 CA ILE A 32 8.363 0.648 4.427 1.00 0.00 C ATOM 449 C ILE A 32 8.617 -0.652 5.183 1.00 0.00 C ATOM 450 O ILE A 32 9.703 -0.868 5.721 1.00 0.00 O ATOM 451 CB ILE A 32 8.529 0.392 2.918 1.00 0.00 C ATOM 452 CG1 ILE A 32 9.994 0.560 2.508 1.00 0.00 C ATOM 453 CG2 ILE A 32 7.639 1.333 2.120 1.00 0.00 C ATOM 454 CD1 ILE A 32 10.381 -0.262 1.299 1.00 0.00 C ATOM 0 H ILE A 32 10.179 1.385 5.171 1.00 0.00 H new ATOM 0 HA ILE A 32 7.345 0.985 4.620 1.00 0.00 H new ATOM 0 HB ILE A 32 8.226 -0.633 2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.186 1.612 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.632 0.281 3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.768 1.140 1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.597 1.169 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.914 2.365 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.432 -0.093 1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.221 -1.319 1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.769 0.033 0.447 1.00 0.00 H new ATOM 466 N LEU A 33 7.608 -1.516 5.217 1.00 0.00 N ATOM 467 CA LEU A 33 7.722 -2.797 5.905 1.00 0.00 C ATOM 468 C LEU A 33 6.974 -3.890 5.148 1.00 0.00 C ATOM 469 O LEU A 33 6.264 -3.614 4.180 1.00 0.00 O ATOM 470 CB LEU A 33 7.176 -2.684 7.330 1.00 0.00 C ATOM 471 CG LEU A 33 5.686 -2.980 7.503 1.00 0.00 C ATOM 472 CD1 LEU A 33 5.336 -3.112 8.977 1.00 0.00 C ATOM 473 CD2 LEU A 33 4.846 -1.893 6.849 1.00 0.00 C ATOM 0 H LEU A 33 6.703 -1.353 4.777 1.00 0.00 H new ATOM 0 HA LEU A 33 8.778 -3.066 5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.738 -3.366 7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.370 -1.675 7.693 1.00 0.00 H new ATOM 0 HG LEU A 33 5.464 -3.927 7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.272 -3.323 9.081 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.912 -3.927 9.416 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.574 -2.181 9.492 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.788 -2.121 6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.071 -0.932 7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.076 -1.847 5.784 1.00 0.00 H new ATOM 485 N ASP A 34 7.137 -5.130 5.595 1.00 0.00 N ATOM 486 CA ASP A 34 6.475 -6.265 4.962 1.00 0.00 C ATOM 487 C ASP A 34 5.195 -6.632 5.706 1.00 0.00 C ATOM 488 O ASP A 34 5.195 -6.771 6.930 1.00 0.00 O ATOM 489 CB ASP A 34 7.416 -7.470 4.914 1.00 0.00 C ATOM 490 CG ASP A 34 7.830 -7.936 6.296 1.00 0.00 C ATOM 491 OD1 ASP A 34 8.796 -7.370 6.847 1.00 0.00 O ATOM 492 OD2 ASP A 34 7.188 -8.868 6.825 1.00 0.00 O ATOM 0 H ASP A 34 7.722 -5.375 6.394 1.00 0.00 H new ATOM 0 HA ASP A 34 6.212 -5.979 3.944 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.926 -8.290 4.389 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.305 -7.210 4.340 1.00 0.00 H new ATOM 497 N TYR A 35 4.107 -6.788 4.961 1.00 0.00 N ATOM 498 CA TYR A 35 2.820 -7.136 5.550 1.00 0.00 C ATOM 499 C TYR A 35 2.289 -8.443 4.969 1.00 0.00 C ATOM 500 O TYR A 35 2.551 -8.770 3.812 1.00 0.00 O ATOM 501 CB TYR A 35 1.808 -6.013 5.316 1.00 0.00 C ATOM 502 CG TYR A 35 0.751 -5.916 6.393 1.00 0.00 C ATOM 503 CD1 TYR A 35 -0.371 -6.736 6.368 1.00 0.00 C ATOM 504 CD2 TYR A 35 0.873 -5.005 7.435 1.00 0.00 C ATOM 505 CE1 TYR A 35 -1.340 -6.651 7.349 1.00 0.00 C ATOM 506 CE2 TYR A 35 -0.090 -4.914 8.421 1.00 0.00 C ATOM 507 CZ TYR A 35 -1.195 -5.739 8.373 1.00 0.00 C ATOM 508 OH TYR A 35 -2.157 -5.651 9.353 1.00 0.00 O ATOM 0 H TYR A 35 4.091 -6.679 3.947 1.00 0.00 H new ATOM 0 HA TYR A 35 2.965 -7.269 6.622 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.340 -5.063 5.254 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.321 -6.169 4.354 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.487 -7.452 5.568 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.736 -4.357 7.475 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.206 -7.295 7.314 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.021 -4.201 9.225 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.903 -4.960 10.000 1.00 0.00 H new ATOM 518 N GLN A 36 1.542 -9.184 5.780 1.00 0.00 N ATOM 519 CA GLN A 36 0.975 -10.455 5.347 1.00 0.00 C ATOM 520 C GLN A 36 -0.547 -10.434 5.448 1.00 0.00 C ATOM 521 O GLN A 36 -1.105 -10.241 6.528 1.00 0.00 O ATOM 522 CB GLN A 36 1.537 -11.602 6.188 1.00 0.00 C ATOM 523 CG GLN A 36 2.789 -12.232 5.598 1.00 0.00 C ATOM 524 CD GLN A 36 3.062 -13.616 6.152 1.00 0.00 C ATOM 525 OE1 GLN A 36 4.139 -13.882 6.687 1.00 0.00 O ATOM 526 NE2 GLN A 36 2.086 -14.508 6.028 1.00 0.00 N ATOM 0 H GLN A 36 1.315 -8.926 6.740 1.00 0.00 H new ATOM 0 HA GLN A 36 1.251 -10.610 4.304 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.763 -11.232 7.188 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.771 -12.370 6.298 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.685 -12.292 4.515 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.645 -11.588 5.800 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.209 -14.245 5.578 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.213 -15.456 6.383 1.00 0.00 H new ATOM 535 N ASP A 37 -1.212 -10.634 4.315 1.00 0.00 N ATOM 536 CA ASP A 37 -2.670 -10.639 4.276 1.00 0.00 C ATOM 537 C ASP A 37 -3.239 -11.574 5.339 1.00 0.00 C ATOM 538 O ASP A 37 -2.766 -12.693 5.534 1.00 0.00 O ATOM 539 CB ASP A 37 -3.163 -11.061 2.891 1.00 0.00 C ATOM 540 CG ASP A 37 -4.610 -10.681 2.650 1.00 0.00 C ATOM 541 OD1 ASP A 37 -5.504 -11.416 3.122 1.00 0.00 O ATOM 542 OD2 ASP A 37 -4.850 -9.648 1.991 1.00 0.00 O ATOM 0 H ASP A 37 -0.765 -10.795 3.412 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.018 -9.627 4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.537 -10.597 2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.051 -12.140 2.782 1.00 0.00 H new ATOM 547 N PRO A 38 -4.279 -11.105 6.044 1.00 0.00 N ATOM 548 CA PRO A 38 -4.935 -11.882 7.099 1.00 0.00 C ATOM 549 C PRO A 38 -5.720 -13.066 6.545 1.00 0.00 C ATOM 550 O PRO A 38 -6.023 -14.017 7.267 1.00 0.00 O ATOM 551 CB PRO A 38 -5.883 -10.870 7.749 1.00 0.00 C ATOM 552 CG PRO A 38 -6.155 -9.867 6.682 1.00 0.00 C ATOM 553 CD PRO A 38 -4.895 -9.779 5.865 1.00 0.00 C ATOM 0 HA PRO A 38 -4.214 -12.317 7.791 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.802 -11.349 8.086 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.427 -10.405 8.623 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.000 -10.173 6.065 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.409 -8.898 7.113 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.110 -9.574 4.816 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.242 -8.981 6.219 1.00 0.00 H new ATOM 561 N LEU A 39 -6.046 -13.004 5.258 1.00 0.00 N ATOM 562 CA LEU A 39 -6.795 -14.072 4.606 1.00 0.00 C ATOM 563 C LEU A 39 -5.867 -14.973 3.798 1.00 0.00 C ATOM 564 O LEU A 39 -6.178 -16.138 3.549 1.00 0.00 O ATOM 565 CB LEU A 39 -7.873 -13.482 3.694 1.00 0.00 C ATOM 566 CG LEU A 39 -8.653 -12.294 4.259 1.00 0.00 C ATOM 567 CD1 LEU A 39 -9.410 -11.579 3.151 1.00 0.00 C ATOM 568 CD2 LEU A 39 -9.608 -12.754 5.350 1.00 0.00 C ATOM 0 H LEU A 39 -5.803 -12.225 4.646 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.271 -14.673 5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.402 -13.171 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.582 -14.271 3.445 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.944 -11.592 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.959 -10.736 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.704 -11.216 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.110 -12.271 2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.155 -11.896 5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.313 -13.475 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.042 -13.221 6.156 1.00 0.00 H new ATOM 580 N ASP A 40 -4.726 -14.427 3.393 1.00 0.00 N ATOM 581 CA ASP A 40 -3.750 -15.183 2.616 1.00 0.00 C ATOM 582 C ASP A 40 -2.344 -14.996 3.179 1.00 0.00 C ATOM 583 O ASP A 40 -1.674 -13.995 2.923 1.00 0.00 O ATOM 584 CB ASP A 40 -3.787 -14.748 1.150 1.00 0.00 C ATOM 585 CG ASP A 40 -3.305 -15.836 0.211 1.00 0.00 C ATOM 586 OD1 ASP A 40 -3.917 -16.925 0.199 1.00 0.00 O ATOM 587 OD2 ASP A 40 -2.315 -15.600 -0.512 1.00 0.00 O ATOM 0 H ASP A 40 -4.454 -13.464 3.590 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.010 -16.239 2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.806 -14.467 0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.167 -13.861 1.022 1.00 0.00 H new ATOM 592 N PRO A 41 -1.886 -15.981 3.966 1.00 0.00 N ATOM 593 CA PRO A 41 -0.557 -15.948 4.582 1.00 0.00 C ATOM 594 C PRO A 41 0.561 -16.113 3.558 1.00 0.00 C ATOM 595 O PRO A 41 1.667 -15.603 3.743 1.00 0.00 O ATOM 596 CB PRO A 41 -0.582 -17.139 5.543 1.00 0.00 C ATOM 597 CG PRO A 41 -1.590 -18.071 4.965 1.00 0.00 C ATOM 598 CD PRO A 41 -2.631 -17.203 4.313 1.00 0.00 C ATOM 0 HA PRO A 41 -0.357 -14.994 5.069 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.398 -17.611 5.614 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.861 -16.829 6.550 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.130 -18.741 4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.033 -18.696 5.740 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.056 -17.679 3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.459 -16.991 4.990 1.00 0.00 H new ATOM 606 N THR A 42 0.267 -16.828 2.477 1.00 0.00 N ATOM 607 CA THR A 42 1.247 -17.060 1.424 1.00 0.00 C ATOM 608 C THR A 42 1.419 -15.823 0.550 1.00 0.00 C ATOM 609 O THR A 42 2.114 -15.861 -0.466 1.00 0.00 O ATOM 610 CB THR A 42 0.844 -18.252 0.534 1.00 0.00 C ATOM 611 OG1 THR A 42 -0.486 -18.066 0.040 1.00 0.00 O ATOM 612 CG2 THR A 42 0.925 -19.558 1.310 1.00 0.00 C ATOM 0 H THR A 42 -0.643 -17.257 2.308 1.00 0.00 H new ATOM 0 HA THR A 42 2.192 -17.287 1.917 1.00 0.00 H new ATOM 0 HB THR A 42 1.538 -18.303 -0.305 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.734 -18.827 -0.526 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.636 -20.385 0.661 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.946 -19.711 1.660 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.251 -19.515 2.166 1.00 0.00 H new ATOM 620 N ARG A 43 0.781 -14.728 0.951 1.00 0.00 N ATOM 621 CA ARG A 43 0.863 -13.479 0.203 1.00 0.00 C ATOM 622 C ARG A 43 1.272 -12.326 1.114 1.00 0.00 C ATOM 623 O ARG A 43 0.774 -12.198 2.232 1.00 0.00 O ATOM 624 CB ARG A 43 -0.479 -13.168 -0.461 1.00 0.00 C ATOM 625 CG ARG A 43 -0.618 -13.751 -1.858 1.00 0.00 C ATOM 626 CD ARG A 43 -1.850 -13.212 -2.567 1.00 0.00 C ATOM 627 NE ARG A 43 -2.211 -14.021 -3.728 1.00 0.00 N ATOM 628 CZ ARG A 43 -3.333 -13.854 -4.420 1.00 0.00 C ATOM 629 NH1 ARG A 43 -4.197 -12.911 -4.071 1.00 0.00 N ATOM 630 NH2 ARG A 43 -3.591 -14.630 -5.465 1.00 0.00 N ATOM 0 H ARG A 43 0.202 -14.681 1.789 1.00 0.00 H new ATOM 0 HA ARG A 43 1.623 -13.596 -0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.283 -13.554 0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.607 -12.087 -0.514 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.272 -13.515 -2.442 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.679 -14.837 -1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.687 -13.185 -1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.666 -12.185 -2.884 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.567 -14.754 -4.024 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.001 -12.311 -3.269 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.057 -12.785 -4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.928 -15.355 -5.738 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.453 -14.501 -5.996 1.00 0.00 H new ATOM 644 N SER A 44 2.182 -11.488 0.628 1.00 0.00 N ATOM 645 CA SER A 44 2.661 -10.347 1.400 1.00 0.00 C ATOM 646 C SER A 44 2.572 -9.062 0.582 1.00 0.00 C ATOM 647 O SER A 44 2.387 -9.098 -0.635 1.00 0.00 O ATOM 648 CB SER A 44 4.104 -10.579 1.851 1.00 0.00 C ATOM 649 OG SER A 44 4.261 -11.871 2.411 1.00 0.00 O ATOM 0 H SER A 44 2.603 -11.578 -0.297 1.00 0.00 H new ATOM 0 HA SER A 44 2.026 -10.242 2.279 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.777 -10.463 1.002 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.385 -9.824 2.585 1.00 0.00 H new ATOM 0 HG SER A 44 5.192 -11.996 2.690 1.00 0.00 H new ATOM 655 N VAL A 45 2.705 -7.926 1.260 1.00 0.00 N ATOM 656 CA VAL A 45 2.642 -6.629 0.598 1.00 0.00 C ATOM 657 C VAL A 45 3.402 -5.570 1.388 1.00 0.00 C ATOM 658 O VAL A 45 3.532 -5.667 2.609 1.00 0.00 O ATOM 659 CB VAL A 45 1.185 -6.165 0.410 1.00 0.00 C ATOM 660 CG1 VAL A 45 0.441 -7.105 -0.526 1.00 0.00 C ATOM 661 CG2 VAL A 45 0.479 -6.071 1.754 1.00 0.00 C ATOM 0 H VAL A 45 2.857 -7.878 2.267 1.00 0.00 H new ATOM 0 HA VAL A 45 3.107 -6.751 -0.380 1.00 0.00 H new ATOM 0 HB VAL A 45 1.194 -5.173 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.586 -6.761 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.936 -7.118 -1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.440 -8.111 -0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.549 -5.742 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.480 -7.049 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.000 -5.354 2.389 1.00 0.00 H new ATOM 671 N ILE A 46 3.903 -4.561 0.685 1.00 0.00 N ATOM 672 CA ILE A 46 4.650 -3.483 1.322 1.00 0.00 C ATOM 673 C ILE A 46 3.720 -2.359 1.768 1.00 0.00 C ATOM 674 O ILE A 46 2.820 -1.955 1.033 1.00 0.00 O ATOM 675 CB ILE A 46 5.719 -2.904 0.377 1.00 0.00 C ATOM 676 CG1 ILE A 46 6.805 -3.946 0.101 1.00 0.00 C ATOM 677 CG2 ILE A 46 6.327 -1.643 0.973 1.00 0.00 C ATOM 678 CD1 ILE A 46 7.539 -4.398 1.344 1.00 0.00 C ATOM 0 H ILE A 46 3.806 -4.467 -0.326 1.00 0.00 H new ATOM 0 HA ILE A 46 5.142 -3.913 2.194 1.00 0.00 H new ATOM 0 HB ILE A 46 5.243 -2.643 -0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.351 -4.813 -0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.524 -3.531 -0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.081 -1.246 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.545 -0.898 1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.791 -1.880 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.294 -5.136 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.022 -3.541 1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.831 -4.843 2.043 1.00 0.00 H new ATOM 690 N VAL A 47 3.946 -1.857 2.978 1.00 0.00 N ATOM 691 CA VAL A 47 3.131 -0.778 3.522 1.00 0.00 C ATOM 692 C VAL A 47 3.993 0.416 3.918 1.00 0.00 C ATOM 693 O VAL A 47 5.217 0.309 4.002 1.00 0.00 O ATOM 694 CB VAL A 47 2.327 -1.246 4.750 1.00 0.00 C ATOM 695 CG1 VAL A 47 1.013 -0.487 4.848 1.00 0.00 C ATOM 696 CG2 VAL A 47 2.083 -2.746 4.686 1.00 0.00 C ATOM 0 H VAL A 47 4.687 -2.181 3.600 1.00 0.00 H new ATOM 0 HA VAL A 47 2.438 -0.478 2.736 1.00 0.00 H new ATOM 0 HB VAL A 47 2.909 -1.034 5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.458 -0.831 5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.215 0.580 4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.422 -0.665 3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.514 -3.060 5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.521 -2.985 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.039 -3.270 4.668 1.00 0.00 H new ATOM 706 N ILE A 48 3.347 1.551 4.160 1.00 0.00 N ATOM 707 CA ILE A 48 4.055 2.765 4.549 1.00 0.00 C ATOM 708 C ILE A 48 4.352 2.772 6.045 1.00 0.00 C ATOM 709 O ILE A 48 3.550 3.256 6.845 1.00 0.00 O ATOM 710 CB ILE A 48 3.247 4.026 4.191 1.00 0.00 C ATOM 711 CG1 ILE A 48 2.941 4.054 2.692 1.00 0.00 C ATOM 712 CG2 ILE A 48 4.008 5.277 4.604 1.00 0.00 C ATOM 713 CD1 ILE A 48 4.176 4.155 1.824 1.00 0.00 C ATOM 0 H ILE A 48 2.335 1.656 4.094 1.00 0.00 H new ATOM 0 HA ILE A 48 4.994 2.775 3.995 1.00 0.00 H new ATOM 0 HB ILE A 48 2.303 4.001 4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.392 3.151 2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.287 4.900 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.424 6.160 4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.180 5.259 5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.965 5.309 4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.883 4.170 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.715 5.072 2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.821 3.296 2.008 1.00 0.00 H new ATOM 725 N ARG A 49 5.510 2.236 6.415 1.00 0.00 N ATOM 726 CA ARG A 49 5.914 2.181 7.815 1.00 0.00 C ATOM 727 C ARG A 49 5.555 3.478 8.535 1.00 0.00 C ATOM 728 O ARG A 49 4.752 3.480 9.468 1.00 0.00 O ATOM 729 CB ARG A 49 7.418 1.924 7.924 1.00 0.00 C ATOM 730 CG ARG A 49 7.926 1.885 9.356 1.00 0.00 C ATOM 731 CD ARG A 49 7.699 0.521 9.991 1.00 0.00 C ATOM 732 NE ARG A 49 8.180 0.472 11.369 1.00 0.00 N ATOM 733 CZ ARG A 49 8.511 -0.654 11.992 1.00 0.00 C ATOM 734 NH1 ARG A 49 8.414 -1.817 11.363 1.00 0.00 N ATOM 735 NH2 ARG A 49 8.940 -0.617 13.247 1.00 0.00 N ATOM 0 H ARG A 49 6.185 1.834 5.765 1.00 0.00 H new ATOM 0 HA ARG A 49 5.377 1.360 8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.653 0.977 7.438 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.952 2.703 7.379 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.990 2.123 9.372 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.419 2.650 9.944 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.635 0.284 9.970 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.208 -0.242 9.402 1.00 0.00 H new ATOM 0 HE ARG A 49 8.267 1.350 11.881 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.085 -1.849 10.398 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.669 -2.680 11.844 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.016 0.276 13.734 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.194 -1.482 13.725 1.00 0.00 H new ATOM 749 N SER A 50 6.156 4.579 8.095 1.00 0.00 N ATOM 750 CA SER A 50 5.903 5.882 8.700 1.00 0.00 C ATOM 751 C SER A 50 6.563 6.994 7.891 1.00 0.00 C ATOM 752 O SER A 50 7.507 6.753 7.137 1.00 0.00 O ATOM 753 CB SER A 50 6.420 5.908 10.140 1.00 0.00 C ATOM 754 OG SER A 50 5.658 6.796 10.939 1.00 0.00 O ATOM 0 H SER A 50 6.821 4.595 7.322 1.00 0.00 H new ATOM 0 HA SER A 50 4.826 6.050 8.705 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.377 4.905 10.563 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.466 6.213 10.149 1.00 0.00 H new ATOM 0 HG SER A 50 6.007 6.793 11.855 1.00 0.00 H new ATOM 760 N LEU A 51 6.059 8.212 8.051 1.00 0.00 N ATOM 761 CA LEU A 51 6.598 9.364 7.336 1.00 0.00 C ATOM 762 C LEU A 51 7.475 10.212 8.252 1.00 0.00 C ATOM 763 O LEU A 51 6.987 10.832 9.197 1.00 0.00 O ATOM 764 CB LEU A 51 5.461 10.215 6.768 1.00 0.00 C ATOM 765 CG LEU A 51 4.211 9.454 6.324 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.095 10.424 5.969 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.529 8.549 5.143 1.00 0.00 C ATOM 0 H LEU A 51 5.277 8.428 8.670 1.00 0.00 H new ATOM 0 HA LEU A 51 7.212 8.995 6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.169 10.945 7.522 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.844 10.774 5.914 1.00 0.00 H new ATOM 0 HG LEU A 51 3.874 8.831 7.153 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.213 9.865 5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.849 11.030 6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.422 11.073 5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.628 8.015 4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.891 9.152 4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.296 7.831 5.431 1.00 0.00 H new ATOM 779 N VAL A 52 8.772 10.237 7.964 1.00 0.00 N ATOM 780 CA VAL A 52 9.717 11.011 8.760 1.00 0.00 C ATOM 781 C VAL A 52 9.237 12.447 8.939 1.00 0.00 C ATOM 782 O VAL A 52 8.521 12.983 8.094 1.00 0.00 O ATOM 783 CB VAL A 52 11.115 11.026 8.114 1.00 0.00 C ATOM 784 CG1 VAL A 52 12.050 11.946 8.884 1.00 0.00 C ATOM 785 CG2 VAL A 52 11.682 9.616 8.040 1.00 0.00 C ATOM 0 H VAL A 52 9.193 9.730 7.185 1.00 0.00 H new ATOM 0 HA VAL A 52 9.781 10.527 9.735 1.00 0.00 H new ATOM 0 HB VAL A 52 11.023 11.410 7.098 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.033 11.943 8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.648 12.959 8.880 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.140 11.596 9.912 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.670 9.645 7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.761 9.202 9.045 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.022 8.989 7.441 1.00 0.00 H new ATOM 795 N ALA A 53 9.637 13.066 10.045 1.00 0.00 N ATOM 796 CA ALA A 53 9.250 14.441 10.334 1.00 0.00 C ATOM 797 C ALA A 53 9.693 15.382 9.219 1.00 0.00 C ATOM 798 O ALA A 53 10.888 15.586 9.005 1.00 0.00 O ATOM 799 CB ALA A 53 9.835 14.885 11.667 1.00 0.00 C ATOM 0 H ALA A 53 10.229 12.636 10.756 1.00 0.00 H new ATOM 0 HA ALA A 53 8.163 14.481 10.396 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.538 15.914 11.870 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.464 14.237 12.461 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.922 14.823 11.626 1.00 0.00 H new ATOM 805 N ASP A 54 8.724 15.952 8.512 1.00 0.00 N ATOM 806 CA ASP A 54 9.014 16.872 7.419 1.00 0.00 C ATOM 807 C ASP A 54 9.719 16.151 6.275 1.00 0.00 C ATOM 808 O ASP A 54 10.543 16.736 5.572 1.00 0.00 O ATOM 809 CB ASP A 54 9.878 18.032 7.916 1.00 0.00 C ATOM 810 CG ASP A 54 9.311 18.683 9.163 1.00 0.00 C ATOM 811 OD1 ASP A 54 8.076 18.851 9.235 1.00 0.00 O ATOM 812 OD2 ASP A 54 10.103 19.025 10.066 1.00 0.00 O ATOM 0 H ASP A 54 7.730 15.793 8.676 1.00 0.00 H new ATOM 0 HA ASP A 54 8.068 17.267 7.048 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.884 17.668 8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.966 18.779 7.128 1.00 0.00 H new ATOM 817 N GLY A 55 9.391 14.875 6.094 1.00 0.00 N ATOM 818 CA GLY A 55 10.003 14.094 5.034 1.00 0.00 C ATOM 819 C GLY A 55 9.291 14.261 3.706 1.00 0.00 C ATOM 820 O GLY A 55 8.085 14.502 3.666 1.00 0.00 O ATOM 0 H GLY A 55 8.712 14.368 6.662 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.046 14.391 4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.000 13.041 5.315 1.00 0.00 H new ATOM 824 N VAL A 56 10.040 14.135 2.615 1.00 0.00 N ATOM 825 CA VAL A 56 9.474 14.274 1.279 1.00 0.00 C ATOM 826 C VAL A 56 8.048 13.738 1.228 1.00 0.00 C ATOM 827 O VAL A 56 7.192 14.288 0.537 1.00 0.00 O ATOM 828 CB VAL A 56 10.327 13.537 0.229 1.00 0.00 C ATOM 829 CG1 VAL A 56 9.617 13.518 -1.117 1.00 0.00 C ATOM 830 CG2 VAL A 56 11.699 14.183 0.108 1.00 0.00 C ATOM 0 H VAL A 56 11.040 13.937 2.631 1.00 0.00 H new ATOM 0 HA VAL A 56 9.467 15.339 1.047 1.00 0.00 H new ATOM 0 HB VAL A 56 10.464 12.506 0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.234 12.993 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.660 13.006 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.448 14.541 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.288 13.649 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.586 15.224 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.208 14.139 1.071 1.00 0.00 H new ATOM 840 N ALA A 57 7.801 12.660 1.964 1.00 0.00 N ATOM 841 CA ALA A 57 6.478 12.050 2.005 1.00 0.00 C ATOM 842 C ALA A 57 5.444 13.017 2.573 1.00 0.00 C ATOM 843 O ALA A 57 4.473 13.365 1.903 1.00 0.00 O ATOM 844 CB ALA A 57 6.512 10.769 2.825 1.00 0.00 C ATOM 0 H ALA A 57 8.500 12.191 2.540 1.00 0.00 H new ATOM 0 HA ALA A 57 6.186 11.807 0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.517 10.324 2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.213 10.067 2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.830 10.997 3.842 1.00 0.00 H new ATOM 850 N GLU A 58 5.661 13.445 3.813 1.00 0.00 N ATOM 851 CA GLU A 58 4.746 14.371 4.471 1.00 0.00 C ATOM 852 C GLU A 58 4.687 15.700 3.723 1.00 0.00 C ATOM 853 O GLU A 58 3.608 16.243 3.485 1.00 0.00 O ATOM 854 CB GLU A 58 5.178 14.607 5.919 1.00 0.00 C ATOM 855 CG GLU A 58 4.036 15.004 6.839 1.00 0.00 C ATOM 856 CD GLU A 58 4.514 15.715 8.090 1.00 0.00 C ATOM 857 OE1 GLU A 58 5.044 15.034 8.992 1.00 0.00 O ATOM 858 OE2 GLU A 58 4.357 16.952 8.167 1.00 0.00 O ATOM 0 H GLU A 58 6.461 13.166 4.381 1.00 0.00 H new ATOM 0 HA GLU A 58 3.751 13.925 4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.643 13.699 6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.938 15.388 5.940 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.347 15.653 6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.477 14.113 7.124 1.00 0.00 H new ATOM 865 N ARG A 59 5.854 16.219 3.357 1.00 0.00 N ATOM 866 CA ARG A 59 5.936 17.485 2.639 1.00 0.00 C ATOM 867 C ARG A 59 4.899 17.545 1.522 1.00 0.00 C ATOM 868 O ARG A 59 4.075 18.458 1.474 1.00 0.00 O ATOM 869 CB ARG A 59 7.338 17.677 2.058 1.00 0.00 C ATOM 870 CG ARG A 59 8.422 17.811 3.115 1.00 0.00 C ATOM 871 CD ARG A 59 9.657 18.504 2.562 1.00 0.00 C ATOM 872 NE ARG A 59 9.381 19.885 2.174 1.00 0.00 N ATOM 873 CZ ARG A 59 10.317 20.735 1.766 1.00 0.00 C ATOM 874 NH1 ARG A 59 11.583 20.347 1.692 1.00 0.00 N ATOM 875 NH2 ARG A 59 9.988 21.975 1.429 1.00 0.00 N ATOM 0 H ARG A 59 6.756 15.782 3.546 1.00 0.00 H new ATOM 0 HA ARG A 59 5.730 18.288 3.346 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.574 16.831 1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.343 18.568 1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.036 18.376 3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.694 16.823 3.486 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.448 18.489 3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.027 17.952 1.698 1.00 0.00 H new ATOM 0 HE ARG A 59 8.417 20.215 2.219 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.840 19.394 1.949 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.300 21.002 1.378 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.015 22.277 1.483 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.708 22.626 1.116 1.00 0.00 H new ATOM 889 N SER A 60 4.946 16.565 0.625 1.00 0.00 N ATOM 890 CA SER A 60 4.013 16.508 -0.495 1.00 0.00 C ATOM 891 C SER A 60 2.570 16.515 0.000 1.00 0.00 C ATOM 892 O SER A 60 1.735 17.267 -0.500 1.00 0.00 O ATOM 893 CB SER A 60 4.270 15.256 -1.336 1.00 0.00 C ATOM 894 OG SER A 60 3.753 14.100 -0.701 1.00 0.00 O ATOM 0 H SER A 60 5.620 15.800 0.652 1.00 0.00 H new ATOM 0 HA SER A 60 4.171 17.391 -1.114 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.810 15.372 -2.317 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.341 15.137 -1.499 1.00 0.00 H new ATOM 0 HG SER A 60 4.143 14.016 0.194 1.00 0.00 H new ATOM 900 N GLY A 61 2.285 15.671 0.986 1.00 0.00 N ATOM 901 CA GLY A 61 0.942 15.595 1.533 1.00 0.00 C ATOM 902 C GLY A 61 0.070 14.600 0.792 1.00 0.00 C ATOM 903 O GLY A 61 -1.089 14.884 0.492 1.00 0.00 O ATOM 0 H GLY A 61 2.959 15.038 1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.997 15.313 2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.479 16.581 1.491 1.00 0.00 H new ATOM 907 N GLY A 62 0.629 13.431 0.496 1.00 0.00 N ATOM 908 CA GLY A 62 -0.119 12.410 -0.214 1.00 0.00 C ATOM 909 C GLY A 62 0.044 11.036 0.406 1.00 0.00 C ATOM 910 O GLY A 62 -0.882 10.224 0.387 1.00 0.00 O ATOM 0 H GLY A 62 1.586 13.173 0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.175 12.678 -0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.211 12.378 -1.252 1.00 0.00 H new ATOM 914 N LEU A 63 1.225 10.773 0.955 1.00 0.00 N ATOM 915 CA LEU A 63 1.508 9.487 1.582 1.00 0.00 C ATOM 916 C LEU A 63 1.073 9.486 3.044 1.00 0.00 C ATOM 917 O LEU A 63 0.964 10.541 3.671 1.00 0.00 O ATOM 918 CB LEU A 63 3.000 9.165 1.481 1.00 0.00 C ATOM 919 CG LEU A 63 3.455 8.485 0.190 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.352 9.445 -0.985 1.00 0.00 C ATOM 921 CD2 LEU A 63 4.878 7.965 0.333 1.00 0.00 C ATOM 0 H LEU A 63 2.002 11.433 0.979 1.00 0.00 H new ATOM 0 HA LEU A 63 0.941 8.721 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.560 10.093 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.270 8.524 2.320 1.00 0.00 H new ATOM 0 HG LEU A 63 2.797 7.637 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.680 8.943 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.317 9.768 -1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.984 10.314 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.185 7.484 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.549 8.796 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.921 7.242 1.147 1.00 0.00 H new ATOM 933 N LEU A 64 0.829 8.296 3.582 1.00 0.00 N ATOM 934 CA LEU A 64 0.408 8.158 4.972 1.00 0.00 C ATOM 935 C LEU A 64 0.800 6.792 5.526 1.00 0.00 C ATOM 936 O LEU A 64 0.892 5.802 4.799 1.00 0.00 O ATOM 937 CB LEU A 64 -1.104 8.353 5.090 1.00 0.00 C ATOM 938 CG LEU A 64 -1.636 9.731 4.693 1.00 0.00 C ATOM 939 CD1 LEU A 64 -3.140 9.681 4.476 1.00 0.00 C ATOM 940 CD2 LEU A 64 -1.282 10.765 5.752 1.00 0.00 C ATOM 0 H LEU A 64 0.915 7.414 3.078 1.00 0.00 H new ATOM 0 HA LEU A 64 0.914 8.926 5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.596 7.603 4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.396 8.156 6.121 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.164 10.025 3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.500 10.670 4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.370 8.971 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.630 9.365 5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.668 11.739 5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.725 10.476 6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.199 10.821 5.858 1.00 0.00 H new ATOM 952 N PRO A 65 1.036 6.733 6.845 1.00 0.00 N ATOM 953 CA PRO A 65 1.419 5.493 7.527 1.00 0.00 C ATOM 954 C PRO A 65 0.274 4.487 7.587 1.00 0.00 C ATOM 955 O PRO A 65 -0.761 4.746 8.199 1.00 0.00 O ATOM 956 CB PRO A 65 1.793 5.963 8.934 1.00 0.00 C ATOM 957 CG PRO A 65 1.027 7.226 9.128 1.00 0.00 C ATOM 958 CD PRO A 65 0.946 7.873 7.773 1.00 0.00 C ATOM 0 HA PRO A 65 2.225 4.975 7.008 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.526 5.219 9.684 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.866 6.133 9.022 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.032 7.022 9.523 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.526 7.879 9.843 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.013 8.423 7.645 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.758 8.583 7.617 1.00 0.00 H new ATOM 966 N GLY A 66 0.468 3.337 6.947 1.00 0.00 N ATOM 967 CA GLY A 66 -0.557 2.310 6.941 1.00 0.00 C ATOM 968 C GLY A 66 -1.001 1.943 5.539 1.00 0.00 C ATOM 969 O GLY A 66 -1.525 0.852 5.313 1.00 0.00 O ATOM 0 H GLY A 66 1.316 3.099 6.433 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.178 1.420 7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.418 2.657 7.512 1.00 0.00 H new ATOM 973 N ASP A 67 -0.794 2.855 4.597 1.00 0.00 N ATOM 974 CA ASP A 67 -1.178 2.622 3.209 1.00 0.00 C ATOM 975 C ASP A 67 -0.223 1.638 2.540 1.00 0.00 C ATOM 976 O ASP A 67 0.956 1.570 2.885 1.00 0.00 O ATOM 977 CB ASP A 67 -1.197 3.941 2.435 1.00 0.00 C ATOM 978 CG ASP A 67 -2.163 4.947 3.028 1.00 0.00 C ATOM 979 OD1 ASP A 67 -2.968 4.555 3.899 1.00 0.00 O ATOM 980 OD2 ASP A 67 -2.114 6.127 2.623 1.00 0.00 O ATOM 0 H ASP A 67 -0.362 3.763 4.768 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.179 2.191 3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.194 4.367 2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.471 3.746 1.398 1.00 0.00 H new ATOM 985 N ARG A 68 -0.742 0.877 1.582 1.00 0.00 N ATOM 986 CA ARG A 68 0.063 -0.104 0.865 1.00 0.00 C ATOM 987 C ARG A 68 0.641 0.495 -0.413 1.00 0.00 C ATOM 988 O ARG A 68 -0.084 1.078 -1.221 1.00 0.00 O ATOM 989 CB ARG A 68 -0.778 -1.337 0.528 1.00 0.00 C ATOM 990 CG ARG A 68 0.022 -2.465 -0.103 1.00 0.00 C ATOM 991 CD ARG A 68 -0.844 -3.316 -1.019 1.00 0.00 C ATOM 992 NE ARG A 68 -0.043 -4.189 -1.873 1.00 0.00 N ATOM 993 CZ ARG A 68 -0.547 -4.901 -2.875 1.00 0.00 C ATOM 994 NH1 ARG A 68 -1.844 -4.842 -3.148 1.00 0.00 N ATOM 995 NH2 ARG A 68 0.246 -5.673 -3.607 1.00 0.00 N ATOM 0 H ARG A 68 -1.717 0.921 1.285 1.00 0.00 H new ATOM 0 HA ARG A 68 0.889 -0.401 1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.251 -1.704 1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.578 -1.046 -0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.855 -2.049 -0.670 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.451 -3.091 0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.523 -3.921 -0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.461 -2.667 -1.641 1.00 0.00 H new ATOM 0 HE ARG A 68 0.958 -4.256 -1.690 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.457 -4.249 -2.588 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.229 -5.390 -3.918 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.244 -5.720 -3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.142 -6.219 -4.376 1.00 0.00 H new ATOM 1009 N LEU A 69 1.949 0.349 -0.591 1.00 0.00 N ATOM 1010 CA LEU A 69 2.625 0.876 -1.771 1.00 0.00 C ATOM 1011 C LEU A 69 2.618 -0.145 -2.904 1.00 0.00 C ATOM 1012 O LEU A 69 3.237 -1.204 -2.804 1.00 0.00 O ATOM 1013 CB LEU A 69 4.065 1.263 -1.428 1.00 0.00 C ATOM 1014 CG LEU A 69 4.954 1.657 -2.608 1.00 0.00 C ATOM 1015 CD1 LEU A 69 4.305 2.770 -3.416 1.00 0.00 C ATOM 1016 CD2 LEU A 69 6.331 2.082 -2.120 1.00 0.00 C ATOM 0 H LEU A 69 2.563 -0.130 0.067 1.00 0.00 H new ATOM 0 HA LEU A 69 2.085 1.763 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.038 2.096 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.532 0.425 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 69 5.073 0.788 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.952 3.038 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.342 2.429 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.155 3.642 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.950 2.359 -2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.232 2.937 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.799 1.255 -1.586 1.00 0.00 H new ATOM 1028 N VAL A 70 1.914 0.183 -3.984 1.00 0.00 N ATOM 1029 CA VAL A 70 1.828 -0.704 -5.138 1.00 0.00 C ATOM 1030 C VAL A 70 3.145 -0.733 -5.907 1.00 0.00 C ATOM 1031 O VAL A 70 3.722 -1.797 -6.129 1.00 0.00 O ATOM 1032 CB VAL A 70 0.698 -0.275 -6.092 1.00 0.00 C ATOM 1033 CG1 VAL A 70 0.520 -1.298 -7.204 1.00 0.00 C ATOM 1034 CG2 VAL A 70 -0.600 -0.077 -5.325 1.00 0.00 C ATOM 0 H VAL A 70 1.396 1.056 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 70 1.611 -1.702 -4.756 1.00 0.00 H new ATOM 0 HB VAL A 70 0.972 0.676 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.283 -0.978 -7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.447 -1.384 -7.771 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.268 -2.266 -6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.388 0.226 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.882 -1.011 -4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.462 0.697 -4.570 1.00 0.00 H new ATOM 1044 N SER A 71 3.614 0.443 -6.311 1.00 0.00 N ATOM 1045 CA SER A 71 4.861 0.552 -7.059 1.00 0.00 C ATOM 1046 C SER A 71 5.523 1.905 -6.816 1.00 0.00 C ATOM 1047 O SER A 71 4.888 2.843 -6.333 1.00 0.00 O ATOM 1048 CB SER A 71 4.602 0.360 -8.554 1.00 0.00 C ATOM 1049 OG SER A 71 3.307 0.811 -8.910 1.00 0.00 O ATOM 0 H SER A 71 3.150 1.334 -6.133 1.00 0.00 H new ATOM 0 HA SER A 71 5.535 -0.231 -6.711 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.351 0.905 -9.129 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.707 -0.694 -8.812 1.00 0.00 H new ATOM 0 HG SER A 71 3.167 0.679 -9.871 1.00 0.00 H new ATOM 1055 N VAL A 72 6.805 1.998 -7.154 1.00 0.00 N ATOM 1056 CA VAL A 72 7.555 3.236 -6.975 1.00 0.00 C ATOM 1057 C VAL A 72 8.433 3.527 -8.186 1.00 0.00 C ATOM 1058 O VAL A 72 9.436 2.852 -8.416 1.00 0.00 O ATOM 1059 CB VAL A 72 8.440 3.178 -5.715 1.00 0.00 C ATOM 1060 CG1 VAL A 72 9.306 4.424 -5.613 1.00 0.00 C ATOM 1061 CG2 VAL A 72 7.583 3.012 -4.470 1.00 0.00 C ATOM 0 H VAL A 72 7.346 1.231 -7.553 1.00 0.00 H new ATOM 0 HA VAL A 72 6.823 4.036 -6.860 1.00 0.00 H new ATOM 0 HB VAL A 72 9.098 2.313 -5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.924 4.365 -4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.947 4.495 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.669 5.306 -5.557 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.224 2.973 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.899 3.856 -4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.010 2.087 -4.543 1.00 0.00 H new ATOM 1071 N ASN A 73 8.050 4.538 -8.959 1.00 0.00 N ATOM 1072 CA ASN A 73 8.803 4.920 -10.148 1.00 0.00 C ATOM 1073 C ASN A 73 8.794 3.797 -11.181 1.00 0.00 C ATOM 1074 O ASN A 73 9.845 3.375 -11.662 1.00 0.00 O ATOM 1075 CB ASN A 73 10.244 5.272 -9.774 1.00 0.00 C ATOM 1076 CG ASN A 73 10.406 6.737 -9.415 1.00 0.00 C ATOM 1077 OD1 ASN A 73 9.480 7.370 -8.908 1.00 0.00 O ATOM 1078 ND2 ASN A 73 11.588 7.283 -9.678 1.00 0.00 N ATOM 0 H ASN A 73 7.222 5.108 -8.783 1.00 0.00 H new ATOM 0 HA ASN A 73 8.324 5.796 -10.585 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.558 4.657 -8.931 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.903 5.030 -10.608 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.756 8.265 -9.459 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.327 6.720 -10.099 1.00 0.00 H new ATOM 1085 N GLU A 74 7.600 3.318 -11.516 1.00 0.00 N ATOM 1086 CA GLU A 74 7.455 2.244 -12.492 1.00 0.00 C ATOM 1087 C GLU A 74 8.141 0.971 -12.005 1.00 0.00 C ATOM 1088 O GLU A 74 8.924 0.358 -12.731 1.00 0.00 O ATOM 1089 CB GLU A 74 8.040 2.668 -13.841 1.00 0.00 C ATOM 1090 CG GLU A 74 7.203 3.706 -14.569 1.00 0.00 C ATOM 1091 CD GLU A 74 7.524 3.781 -16.049 1.00 0.00 C ATOM 1092 OE1 GLU A 74 8.646 4.213 -16.390 1.00 0.00 O ATOM 1093 OE2 GLU A 74 6.656 3.410 -16.865 1.00 0.00 O ATOM 0 H GLU A 74 6.720 3.656 -11.126 1.00 0.00 H new ATOM 0 HA GLU A 74 6.391 2.039 -12.614 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.042 3.067 -13.683 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.144 1.788 -14.475 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.147 3.470 -14.442 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.368 4.683 -14.115 1.00 0.00 H new ATOM 1100 N TYR A 75 7.841 0.579 -10.771 1.00 0.00 N ATOM 1101 CA TYR A 75 8.430 -0.619 -10.185 1.00 0.00 C ATOM 1102 C TYR A 75 7.371 -1.453 -9.471 1.00 0.00 C ATOM 1103 O TYR A 75 6.900 -1.087 -8.393 1.00 0.00 O ATOM 1104 CB TYR A 75 9.542 -0.239 -9.207 1.00 0.00 C ATOM 1105 CG TYR A 75 10.889 -0.045 -9.866 1.00 0.00 C ATOM 1106 CD1 TYR A 75 11.723 -1.127 -10.120 1.00 0.00 C ATOM 1107 CD2 TYR A 75 11.328 1.221 -10.234 1.00 0.00 C ATOM 1108 CE1 TYR A 75 12.954 -0.954 -10.722 1.00 0.00 C ATOM 1109 CE2 TYR A 75 12.557 1.403 -10.838 1.00 0.00 C ATOM 1110 CZ TYR A 75 13.367 0.312 -11.079 1.00 0.00 C ATOM 1111 OH TYR A 75 14.593 0.489 -11.679 1.00 0.00 O ATOM 0 H TYR A 75 7.193 1.074 -10.158 1.00 0.00 H new ATOM 0 HA TYR A 75 8.854 -1.217 -10.992 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.263 0.681 -8.692 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.627 -1.016 -8.447 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.403 -2.120 -9.842 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.698 2.077 -10.045 1.00 0.00 H new ATOM 0 HE1 TYR A 75 13.590 -1.806 -10.912 1.00 0.00 H new ATOM 0 HE2 TYR A 75 12.882 2.394 -11.120 1.00 0.00 H new ATOM 0 HH TYR A 75 14.731 1.441 -11.867 1.00 0.00 H new ATOM 1121 N CYS A 76 7.003 -2.575 -10.078 1.00 0.00 N ATOM 1122 CA CYS A 76 5.999 -3.463 -9.501 1.00 0.00 C ATOM 1123 C CYS A 76 6.468 -4.013 -8.158 1.00 0.00 C ATOM 1124 O CYS A 76 7.293 -4.926 -8.103 1.00 0.00 O ATOM 1125 CB CYS A 76 5.696 -4.615 -10.460 1.00 0.00 C ATOM 1126 SG CYS A 76 5.034 -4.090 -12.059 1.00 0.00 S ATOM 0 H CYS A 76 7.384 -2.892 -10.969 1.00 0.00 H new ATOM 0 HA CYS A 76 5.089 -2.886 -9.339 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.610 -5.185 -10.627 1.00 0.00 H new ATOM 0 HB3 CYS A 76 4.982 -5.289 -9.987 1.00 0.00 H new ATOM 0 HG CYS A 76 4.812 -5.134 -12.801 1.00 0.00 H new ATOM 1132 N LEU A 77 5.937 -3.452 -7.077 1.00 0.00 N ATOM 1133 CA LEU A 77 6.302 -3.885 -5.733 1.00 0.00 C ATOM 1134 C LEU A 77 5.257 -4.840 -5.166 1.00 0.00 C ATOM 1135 O LEU A 77 4.942 -4.797 -3.977 1.00 0.00 O ATOM 1136 CB LEU A 77 6.456 -2.674 -4.810 1.00 0.00 C ATOM 1137 CG LEU A 77 7.511 -1.646 -5.222 1.00 0.00 C ATOM 1138 CD1 LEU A 77 7.656 -0.573 -4.154 1.00 0.00 C ATOM 1139 CD2 LEU A 77 8.847 -2.328 -5.481 1.00 0.00 C ATOM 0 H LEU A 77 5.252 -2.696 -7.105 1.00 0.00 H new ATOM 0 HA LEU A 77 7.254 -4.412 -5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.492 -2.169 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.699 -3.033 -3.810 1.00 0.00 H new ATOM 0 HG LEU A 77 7.185 -1.168 -6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.411 0.150 -4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.702 -0.065 -4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.960 -1.034 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.586 -1.582 -5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.180 -2.833 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.733 -3.059 -6.282 1.00 0.00 H new ATOM 1151 N ASP A 78 4.725 -5.703 -6.025 1.00 0.00 N ATOM 1152 CA ASP A 78 3.718 -6.673 -5.609 1.00 0.00 C ATOM 1153 C ASP A 78 4.373 -7.953 -5.100 1.00 0.00 C ATOM 1154 O ASP A 78 5.218 -8.540 -5.774 1.00 0.00 O ATOM 1155 CB ASP A 78 2.778 -6.994 -6.773 1.00 0.00 C ATOM 1156 CG ASP A 78 2.341 -5.752 -7.524 1.00 0.00 C ATOM 1157 OD1 ASP A 78 1.587 -4.942 -6.944 1.00 0.00 O ATOM 1158 OD2 ASP A 78 2.753 -5.589 -8.691 1.00 0.00 O ATOM 0 H ASP A 78 4.974 -5.751 -7.013 1.00 0.00 H new ATOM 0 HA ASP A 78 3.140 -6.234 -4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.277 -7.675 -7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.898 -7.514 -6.393 1.00 0.00 H new ATOM 1163 N ASN A 79 3.978 -8.378 -3.904 1.00 0.00 N ATOM 1164 CA ASN A 79 4.528 -9.588 -3.304 1.00 0.00 C ATOM 1165 C ASN A 79 6.052 -9.532 -3.266 1.00 0.00 C ATOM 1166 O ASN A 79 6.729 -10.523 -3.543 1.00 0.00 O ATOM 1167 CB ASN A 79 4.071 -10.823 -4.083 1.00 0.00 C ATOM 1168 CG ASN A 79 2.628 -11.188 -3.794 1.00 0.00 C ATOM 1169 OD1 ASN A 79 2.345 -11.992 -2.905 1.00 0.00 O ATOM 1170 ND2 ASN A 79 1.706 -10.597 -4.545 1.00 0.00 N ATOM 0 H ASN A 79 3.280 -7.903 -3.332 1.00 0.00 H new ATOM 0 HA ASN A 79 4.159 -9.656 -2.281 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.190 -10.640 -5.151 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.714 -11.667 -3.831 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.718 -10.803 -4.396 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.986 -9.937 -5.271 1.00 0.00 H new ATOM 1177 N THR A 80 6.588 -8.365 -2.921 1.00 0.00 N ATOM 1178 CA THR A 80 8.031 -8.179 -2.847 1.00 0.00 C ATOM 1179 C THR A 80 8.520 -8.233 -1.404 1.00 0.00 C ATOM 1180 O THR A 80 7.763 -7.959 -0.472 1.00 0.00 O ATOM 1181 CB THR A 80 8.457 -6.837 -3.471 1.00 0.00 C ATOM 1182 OG1 THR A 80 8.082 -6.798 -4.852 1.00 0.00 O ATOM 1183 CG2 THR A 80 9.959 -6.632 -3.342 1.00 0.00 C ATOM 0 H THR A 80 6.043 -7.535 -2.688 1.00 0.00 H new ATOM 0 HA THR A 80 8.484 -8.994 -3.412 1.00 0.00 H new ATOM 0 HB THR A 80 7.950 -6.035 -2.934 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.612 -6.117 -5.316 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.236 -5.678 -3.790 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.237 -6.632 -2.288 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.482 -7.439 -3.856 1.00 0.00 H new ATOM 1191 N SER A 81 9.788 -8.587 -1.226 1.00 0.00 N ATOM 1192 CA SER A 81 10.377 -8.680 0.105 1.00 0.00 C ATOM 1193 C SER A 81 10.896 -7.321 0.565 1.00 0.00 C ATOM 1194 O SER A 81 11.458 -6.559 -0.223 1.00 0.00 O ATOM 1195 CB SER A 81 11.514 -9.703 0.113 1.00 0.00 C ATOM 1196 OG SER A 81 11.011 -11.026 0.045 1.00 0.00 O ATOM 0 H SER A 81 10.428 -8.814 -1.987 1.00 0.00 H new ATOM 0 HA SER A 81 9.601 -9.006 0.797 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.178 -9.519 -0.731 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.109 -9.583 1.018 1.00 0.00 H new ATOM 0 HG SER A 81 11.758 -11.661 0.050 1.00 0.00 H new ATOM 1202 N LEU A 82 10.705 -7.024 1.845 1.00 0.00 N ATOM 1203 CA LEU A 82 11.153 -5.757 2.413 1.00 0.00 C ATOM 1204 C LEU A 82 12.520 -5.366 1.859 1.00 0.00 C ATOM 1205 O LEU A 82 12.705 -4.255 1.363 1.00 0.00 O ATOM 1206 CB LEU A 82 11.217 -5.853 3.938 1.00 0.00 C ATOM 1207 CG LEU A 82 12.003 -4.749 4.647 1.00 0.00 C ATOM 1208 CD1 LEU A 82 11.354 -3.394 4.409 1.00 0.00 C ATOM 1209 CD2 LEU A 82 12.102 -5.040 6.138 1.00 0.00 C ATOM 0 H LEU A 82 10.242 -7.644 2.510 1.00 0.00 H new ATOM 0 HA LEU A 82 10.434 -4.987 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.198 -5.852 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.658 -6.814 4.204 1.00 0.00 H new ATOM 0 HG LEU A 82 13.011 -4.723 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.927 -2.621 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.334 -3.183 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.335 -3.406 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.664 -4.245 6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.101 -5.093 6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.612 -5.991 6.290 1.00 0.00 H new ATOM 1221 N ALA A 83 13.473 -6.288 1.944 1.00 0.00 N ATOM 1222 CA ALA A 83 14.821 -6.041 1.448 1.00 0.00 C ATOM 1223 C ALA A 83 14.796 -5.591 -0.008 1.00 0.00 C ATOM 1224 O ALA A 83 15.534 -4.688 -0.401 1.00 0.00 O ATOM 1225 CB ALA A 83 15.677 -7.290 1.602 1.00 0.00 C ATOM 0 H ALA A 83 13.336 -7.213 2.352 1.00 0.00 H new ATOM 0 HA ALA A 83 15.259 -5.238 2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.681 -7.091 1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.730 -7.567 2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.233 -8.108 1.034 1.00 0.00 H new ATOM 1231 N GLU A 84 13.942 -6.226 -0.805 1.00 0.00 N ATOM 1232 CA GLU A 84 13.823 -5.890 -2.219 1.00 0.00 C ATOM 1233 C GLU A 84 13.163 -4.526 -2.401 1.00 0.00 C ATOM 1234 O GLU A 84 13.598 -3.719 -3.222 1.00 0.00 O ATOM 1235 CB GLU A 84 13.015 -6.962 -2.954 1.00 0.00 C ATOM 1236 CG GLU A 84 13.864 -8.099 -3.497 1.00 0.00 C ATOM 1237 CD GLU A 84 13.213 -8.805 -4.670 1.00 0.00 C ATOM 1238 OE1 GLU A 84 12.057 -9.255 -4.525 1.00 0.00 O ATOM 1239 OE2 GLU A 84 13.859 -8.906 -5.734 1.00 0.00 O ATOM 0 H GLU A 84 13.323 -6.975 -0.496 1.00 0.00 H new ATOM 0 HA GLU A 84 14.827 -5.848 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.267 -7.371 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.476 -6.497 -3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.833 -7.708 -3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.050 -8.820 -2.701 1.00 0.00 H new ATOM 1246 N ALA A 85 12.111 -4.277 -1.629 1.00 0.00 N ATOM 1247 CA ALA A 85 11.392 -3.011 -1.703 1.00 0.00 C ATOM 1248 C ALA A 85 12.301 -1.841 -1.344 1.00 0.00 C ATOM 1249 O ALA A 85 12.325 -0.825 -2.037 1.00 0.00 O ATOM 1250 CB ALA A 85 10.178 -3.040 -0.785 1.00 0.00 C ATOM 0 H ALA A 85 11.737 -4.935 -0.945 1.00 0.00 H new ATOM 0 HA ALA A 85 11.055 -2.872 -2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.650 -2.089 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.511 -3.847 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.503 -3.206 0.242 1.00 0.00 H new ATOM 1256 N VAL A 86 13.049 -1.991 -0.255 1.00 0.00 N ATOM 1257 CA VAL A 86 13.961 -0.947 0.196 1.00 0.00 C ATOM 1258 C VAL A 86 15.031 -0.662 -0.851 1.00 0.00 C ATOM 1259 O VAL A 86 15.328 0.494 -1.150 1.00 0.00 O ATOM 1260 CB VAL A 86 14.644 -1.332 1.522 1.00 0.00 C ATOM 1261 CG1 VAL A 86 15.618 -0.247 1.956 1.00 0.00 C ATOM 1262 CG2 VAL A 86 13.604 -1.591 2.601 1.00 0.00 C ATOM 0 H VAL A 86 13.041 -2.826 0.331 1.00 0.00 H new ATOM 0 HA VAL A 86 13.362 -0.050 0.352 1.00 0.00 H new ATOM 0 HB VAL A 86 15.209 -2.251 1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.091 -0.537 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.382 -0.116 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.080 0.691 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.104 -1.862 3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.010 -0.691 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.952 -2.407 2.289 1.00 0.00 H new ATOM 1272 N GLU A 87 15.607 -1.725 -1.405 1.00 0.00 N ATOM 1273 CA GLU A 87 16.646 -1.588 -2.419 1.00 0.00 C ATOM 1274 C GLU A 87 16.113 -0.856 -3.648 1.00 0.00 C ATOM 1275 O GLU A 87 16.855 -0.149 -4.331 1.00 0.00 O ATOM 1276 CB GLU A 87 17.179 -2.964 -2.824 1.00 0.00 C ATOM 1277 CG GLU A 87 18.315 -3.459 -1.945 1.00 0.00 C ATOM 1278 CD GLU A 87 19.179 -4.496 -2.637 1.00 0.00 C ATOM 1279 OE1 GLU A 87 18.625 -5.317 -3.397 1.00 0.00 O ATOM 1280 OE2 GLU A 87 20.408 -4.485 -2.419 1.00 0.00 O ATOM 0 H GLU A 87 15.372 -2.689 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 87 17.460 -1.002 -1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.363 -3.685 -2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.522 -2.922 -3.858 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.936 -2.613 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.903 -3.887 -1.031 1.00 0.00 H new ATOM 1287 N ILE A 88 14.825 -1.031 -3.921 1.00 0.00 N ATOM 1288 CA ILE A 88 14.193 -0.387 -5.066 1.00 0.00 C ATOM 1289 C ILE A 88 14.054 1.115 -4.844 1.00 0.00 C ATOM 1290 O ILE A 88 14.259 1.911 -5.762 1.00 0.00 O ATOM 1291 CB ILE A 88 12.802 -0.983 -5.351 1.00 0.00 C ATOM 1292 CG1 ILE A 88 12.937 -2.384 -5.951 1.00 0.00 C ATOM 1293 CG2 ILE A 88 12.018 -0.074 -6.285 1.00 0.00 C ATOM 1294 CD1 ILE A 88 11.779 -3.298 -5.618 1.00 0.00 C ATOM 0 H ILE A 88 14.198 -1.613 -3.365 1.00 0.00 H new ATOM 0 HA ILE A 88 14.839 -0.567 -5.925 1.00 0.00 H new ATOM 0 HB ILE A 88 12.257 -1.062 -4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.023 -2.300 -7.034 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.861 -2.837 -5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 88 11.037 -0.509 -6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.897 0.905 -5.822 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.558 0.034 -7.226 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.942 -4.274 -6.076 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.705 -3.413 -4.537 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.854 -2.867 -6.001 1.00 0.00 H new ATOM 1306 N LEU A 89 13.708 1.497 -3.620 1.00 0.00 N ATOM 1307 CA LEU A 89 13.543 2.905 -3.276 1.00 0.00 C ATOM 1308 C LEU A 89 14.895 3.606 -3.189 1.00 0.00 C ATOM 1309 O LEU A 89 14.991 4.820 -3.375 1.00 0.00 O ATOM 1310 CB LEU A 89 12.799 3.042 -1.946 1.00 0.00 C ATOM 1311 CG LEU A 89 11.274 3.094 -2.033 1.00 0.00 C ATOM 1312 CD1 LEU A 89 10.654 2.882 -0.660 1.00 0.00 C ATOM 1313 CD2 LEU A 89 10.818 4.418 -2.627 1.00 0.00 C ATOM 0 H LEU A 89 13.536 0.852 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 89 12.958 3.380 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.078 2.203 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.146 3.949 -1.450 1.00 0.00 H new ATOM 0 HG LEU A 89 10.939 2.290 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.568 2.922 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.953 1.908 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.996 3.663 0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.730 4.437 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.164 5.238 -1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.233 4.530 -3.629 1.00 0.00 H new ATOM 1325 N LYS A 90 15.939 2.834 -2.908 1.00 0.00 N ATOM 1326 CA LYS A 90 17.288 3.379 -2.801 1.00 0.00 C ATOM 1327 C LYS A 90 17.929 3.521 -4.178 1.00 0.00 C ATOM 1328 O LYS A 90 18.674 4.466 -4.431 1.00 0.00 O ATOM 1329 CB LYS A 90 18.153 2.481 -1.913 1.00 0.00 C ATOM 1330 CG LYS A 90 17.861 2.629 -0.430 1.00 0.00 C ATOM 1331 CD LYS A 90 18.556 1.552 0.385 1.00 0.00 C ATOM 1332 CE LYS A 90 18.444 1.823 1.877 1.00 0.00 C ATOM 1333 NZ LYS A 90 19.560 2.676 2.371 1.00 0.00 N ATOM 0 H LYS A 90 15.877 1.828 -2.750 1.00 0.00 H new ATOM 0 HA LYS A 90 17.219 4.369 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.000 1.442 -2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.203 2.710 -2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.188 3.612 -0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.785 2.576 -0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 90 18.117 0.581 0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.607 1.501 0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.493 2.312 2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 90 18.443 0.877 2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 19.448 2.838 3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 20.467 2.198 2.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 19.546 3.589 1.872 1.00 0.00 H new ATOM 1347 N ALA A 91 17.632 2.575 -5.064 1.00 0.00 N ATOM 1348 CA ALA A 91 18.176 2.598 -6.416 1.00 0.00 C ATOM 1349 C ALA A 91 17.437 3.605 -7.289 1.00 0.00 C ATOM 1350 O ALA A 91 17.948 4.041 -8.320 1.00 0.00 O ATOM 1351 CB ALA A 91 18.108 1.209 -7.035 1.00 0.00 C ATOM 0 H ALA A 91 17.018 1.784 -4.869 1.00 0.00 H new ATOM 0 HA ALA A 91 19.220 2.907 -6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.517 1.240 -8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.688 0.512 -6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 91 17.070 0.879 -7.074 1.00 0.00 H new ATOM 1357 N VAL A 92 16.230 3.971 -6.870 1.00 0.00 N ATOM 1358 CA VAL A 92 15.420 4.928 -7.614 1.00 0.00 C ATOM 1359 C VAL A 92 16.140 6.265 -7.756 1.00 0.00 C ATOM 1360 O VAL A 92 16.733 6.782 -6.809 1.00 0.00 O ATOM 1361 CB VAL A 92 14.058 5.161 -6.932 1.00 0.00 C ATOM 1362 CG1 VAL A 92 14.229 5.989 -5.668 1.00 0.00 C ATOM 1363 CG2 VAL A 92 13.090 5.834 -7.893 1.00 0.00 C ATOM 0 H VAL A 92 15.791 3.619 -6.019 1.00 0.00 H new ATOM 0 HA VAL A 92 15.255 4.501 -8.603 1.00 0.00 H new ATOM 0 HB VAL A 92 13.641 4.194 -6.651 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.257 6.143 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 92 14.886 5.464 -4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.667 6.954 -5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.133 5.991 -7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.498 6.795 -8.207 1.00 0.00 H new ATOM 0 HG23 VAL A 92 12.944 5.199 -8.767 1.00 0.00 H new ATOM 1373 N PRO A 93 16.088 6.839 -8.967 1.00 0.00 N ATOM 1374 CA PRO A 93 16.729 8.124 -9.262 1.00 0.00 C ATOM 1375 C PRO A 93 16.033 9.291 -8.571 1.00 0.00 C ATOM 1376 O PRO A 93 14.847 9.233 -8.245 1.00 0.00 O ATOM 1377 CB PRO A 93 16.595 8.246 -10.782 1.00 0.00 C ATOM 1378 CG PRO A 93 15.408 7.415 -11.126 1.00 0.00 C ATOM 1379 CD PRO A 93 15.398 6.278 -10.141 1.00 0.00 C ATOM 0 HA PRO A 93 17.759 8.157 -8.907 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.453 9.283 -11.085 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.490 7.886 -11.288 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.490 7.999 -11.057 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.474 7.044 -12.149 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.382 5.965 -9.899 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.917 5.403 -10.532 1.00 0.00 H new ATOM 1387 N PRO A 94 16.786 10.377 -8.341 1.00 0.00 N ATOM 1388 CA PRO A 94 16.261 11.580 -7.686 1.00 0.00 C ATOM 1389 C PRO A 94 15.269 12.333 -8.566 1.00 0.00 C ATOM 1390 O PRO A 94 15.060 11.979 -9.726 1.00 0.00 O ATOM 1391 CB PRO A 94 17.513 12.427 -7.446 1.00 0.00 C ATOM 1392 CG PRO A 94 18.480 11.978 -8.486 1.00 0.00 C ATOM 1393 CD PRO A 94 18.206 10.516 -8.702 1.00 0.00 C ATOM 0 HA PRO A 94 15.710 11.342 -6.776 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.295 13.491 -7.541 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.910 12.271 -6.443 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.348 12.540 -9.410 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.507 12.138 -8.159 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.388 10.222 -9.736 1.00 0.00 H new ATOM 0 HD3 PRO A 94 18.843 9.891 -8.076 1.00 0.00 H new ATOM 1401 N GLY A 95 14.660 13.374 -8.007 1.00 0.00 N ATOM 1402 CA GLY A 95 13.697 14.160 -8.755 1.00 0.00 C ATOM 1403 C GLY A 95 12.271 13.699 -8.529 1.00 0.00 C ATOM 1404 O GLY A 95 11.963 13.089 -7.505 1.00 0.00 O ATOM 0 H GLY A 95 14.817 13.687 -7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.787 15.208 -8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.931 14.100 -9.818 1.00 0.00 H new ATOM 1408 N LEU A 96 11.398 13.993 -9.486 1.00 0.00 N ATOM 1409 CA LEU A 96 9.995 13.606 -9.387 1.00 0.00 C ATOM 1410 C LEU A 96 9.859 12.104 -9.160 1.00 0.00 C ATOM 1411 O LEU A 96 10.450 11.301 -9.881 1.00 0.00 O ATOM 1412 CB LEU A 96 9.242 14.012 -10.655 1.00 0.00 C ATOM 1413 CG LEU A 96 7.716 13.972 -10.572 1.00 0.00 C ATOM 1414 CD1 LEU A 96 7.241 12.590 -10.147 1.00 0.00 C ATOM 1415 CD2 LEU A 96 7.206 15.032 -9.607 1.00 0.00 C ATOM 0 H LEU A 96 11.637 14.498 -10.339 1.00 0.00 H new ATOM 0 HA LEU A 96 9.561 14.125 -8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.545 15.024 -10.925 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.559 13.357 -11.467 1.00 0.00 H new ATOM 0 HG LEU A 96 7.312 14.185 -11.562 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.152 12.580 -10.093 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.575 11.851 -10.875 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.655 12.348 -9.168 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.118 14.989 -9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.619 14.850 -8.615 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.515 16.018 -9.953 1.00 0.00 H new ATOM 1427 N VAL A 97 9.074 11.731 -8.154 1.00 0.00 N ATOM 1428 CA VAL A 97 8.857 10.325 -7.834 1.00 0.00 C ATOM 1429 C VAL A 97 7.381 9.960 -7.935 1.00 0.00 C ATOM 1430 O VAL A 97 6.572 10.363 -7.098 1.00 0.00 O ATOM 1431 CB VAL A 97 9.363 9.987 -6.419 1.00 0.00 C ATOM 1432 CG1 VAL A 97 9.080 8.531 -6.084 1.00 0.00 C ATOM 1433 CG2 VAL A 97 10.849 10.292 -6.297 1.00 0.00 C ATOM 0 H VAL A 97 8.578 12.383 -7.547 1.00 0.00 H new ATOM 0 HA VAL A 97 9.422 9.744 -8.562 1.00 0.00 H new ATOM 0 HB VAL A 97 8.828 10.610 -5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.445 8.311 -5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.006 8.350 -6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.586 7.887 -6.803 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.189 10.047 -5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.403 9.697 -7.022 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.020 11.351 -6.490 1.00 0.00 H new ATOM 1443 N HIS A 98 7.035 9.193 -8.964 1.00 0.00 N ATOM 1444 CA HIS A 98 5.655 8.772 -9.175 1.00 0.00 C ATOM 1445 C HIS A 98 5.417 7.382 -8.593 1.00 0.00 C ATOM 1446 O HIS A 98 5.868 6.379 -9.148 1.00 0.00 O ATOM 1447 CB HIS A 98 5.319 8.778 -10.666 1.00 0.00 C ATOM 1448 CG HIS A 98 4.968 10.134 -11.196 1.00 0.00 C ATOM 1449 ND1 HIS A 98 5.581 10.694 -12.297 1.00 0.00 N ATOM 1450 CD2 HIS A 98 4.060 11.043 -10.770 1.00 0.00 C ATOM 1451 CE1 HIS A 98 5.067 11.889 -12.524 1.00 0.00 C ATOM 1452 NE2 HIS A 98 4.141 12.125 -11.612 1.00 0.00 N ATOM 0 H HIS A 98 7.692 8.850 -9.665 1.00 0.00 H new ATOM 0 HA HIS A 98 5.003 9.479 -8.662 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.171 8.389 -11.223 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.484 8.100 -10.845 1.00 0.00 H new ATOM 0 HD1 HIS A 98 6.317 10.254 -12.850 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.396 10.937 -9.925 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.355 12.560 -13.320 1.00 0.00 H new ATOM 1461 N LEU A 99 4.706 7.329 -7.472 1.00 0.00 N ATOM 1462 CA LEU A 99 4.408 6.061 -6.814 1.00 0.00 C ATOM 1463 C LEU A 99 2.929 5.970 -6.451 1.00 0.00 C ATOM 1464 O LEU A 99 2.328 6.946 -6.004 1.00 0.00 O ATOM 1465 CB LEU A 99 5.264 5.903 -5.557 1.00 0.00 C ATOM 1466 CG LEU A 99 5.182 7.043 -4.541 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.010 6.832 -3.596 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.484 7.158 -3.762 1.00 0.00 C ATOM 0 H LEU A 99 4.325 8.149 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 99 4.642 5.255 -7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.975 4.978 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.304 5.789 -5.862 1.00 0.00 H new ATOM 0 HG LEU A 99 5.022 7.976 -5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.967 7.653 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.083 6.801 -4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.138 5.891 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.407 7.974 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.674 6.225 -3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.304 7.357 -4.452 1.00 0.00 H new ATOM 1480 N GLY A 100 2.349 4.790 -6.645 1.00 0.00 N ATOM 1481 CA GLY A 100 0.946 4.592 -6.331 1.00 0.00 C ATOM 1482 C GLY A 100 0.731 4.126 -4.905 1.00 0.00 C ATOM 1483 O GLY A 100 1.485 3.296 -4.396 1.00 0.00 O ATOM 0 H GLY A 100 2.826 3.967 -7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.406 5.525 -6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.523 3.858 -7.017 1.00 0.00 H new ATOM 1487 N ILE A 101 -0.298 4.662 -4.258 1.00 0.00 N ATOM 1488 CA ILE A 101 -0.609 4.296 -2.882 1.00 0.00 C ATOM 1489 C ILE A 101 -2.020 3.728 -2.769 1.00 0.00 C ATOM 1490 O ILE A 101 -2.853 3.929 -3.653 1.00 0.00 O ATOM 1491 CB ILE A 101 -0.476 5.503 -1.934 1.00 0.00 C ATOM 1492 CG1 ILE A 101 0.909 6.137 -2.072 1.00 0.00 C ATOM 1493 CG2 ILE A 101 -0.729 5.077 -0.496 1.00 0.00 C ATOM 1494 CD1 ILE A 101 2.022 5.291 -1.495 1.00 0.00 C ATOM 0 H ILE A 101 -0.931 5.351 -4.665 1.00 0.00 H new ATOM 0 HA ILE A 101 0.112 3.533 -2.588 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.224 6.247 -2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.112 6.320 -3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.906 7.107 -1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.631 5.941 0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.735 4.667 -0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.002 4.318 -0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.975 5.803 -1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.843 5.130 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 101 2.052 4.330 -2.008 1.00 0.00 H new ATOM 1506 N CYS A 102 -2.281 3.020 -1.675 1.00 0.00 N ATOM 1507 CA CYS A 102 -3.592 2.424 -1.446 1.00 0.00 C ATOM 1508 C CYS A 102 -4.114 2.775 -0.056 1.00 0.00 C ATOM 1509 O CYS A 102 -3.672 2.211 0.944 1.00 0.00 O ATOM 1510 CB CYS A 102 -3.520 0.905 -1.608 1.00 0.00 C ATOM 1511 SG CYS A 102 -3.772 0.331 -3.304 1.00 0.00 S ATOM 0 H CYS A 102 -1.603 2.845 -0.934 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.282 2.829 -2.186 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.547 0.559 -1.259 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.271 0.446 -0.965 1.00 0.00 H new ATOM 0 HG CYS A 102 -3.691 -0.966 -3.340 1.00 0.00 H new ATOM 1517 N SER A 103 -5.055 3.712 -0.002 1.00 0.00 N ATOM 1518 CA SER A 103 -5.633 4.143 1.265 1.00 0.00 C ATOM 1519 C SER A 103 -5.908 2.947 2.171 1.00 0.00 C ATOM 1520 O SER A 103 -6.786 2.132 1.892 1.00 0.00 O ATOM 1521 CB SER A 103 -6.927 4.922 1.021 1.00 0.00 C ATOM 1522 OG SER A 103 -6.667 6.150 0.364 1.00 0.00 O ATOM 0 H SER A 103 -5.433 4.187 -0.821 1.00 0.00 H new ATOM 0 HA SER A 103 -4.914 4.795 1.761 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.609 4.321 0.419 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.425 5.113 1.972 1.00 0.00 H new ATOM 0 HG SER A 103 -7.510 6.628 0.218 1.00 0.00 H new ATOM 1528 N GLY A 104 -5.150 2.850 3.259 1.00 0.00 N ATOM 1529 CA GLY A 104 -5.327 1.751 4.190 1.00 0.00 C ATOM 1530 C GLY A 104 -5.914 2.201 5.514 1.00 0.00 C ATOM 1531 O GLY A 104 -6.574 3.236 5.605 1.00 0.00 O ATOM 0 H GLY A 104 -4.417 3.513 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -5.980 1.002 3.743 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.365 1.271 4.367 1.00 0.00 H new