USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 566 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 76:sc= 1.31 USER MOD Single : A 22 ASN : amide:sc= 0.506 K(o=0.51,f=-1.2) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00753 USER MOD Single : A 31 GLN : amide:sc= 0.261 K(o=0.26,f=-6.2!) USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= 1.22 (180deg=1.14) USER MOD Single : A 37 SER OG : rot -38:sc= 0.79 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -120:sc= 1.4 USER MOD Single : A 64 TYR OH : rot -159:sc= 0.00419 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 67 GLN : amide:sc= 0.947 K(o=0.95,f=-7.4!) USER MOD Single : A 69 THR OG1 : rot -7:sc= 1.12 USER MOD Single : A 72 SER OG : rot 89:sc= 1.46 USER MOD Single : A 74 MET CE :methyl 160:sc= -0.0751 (180deg=-0.522) USER MOD Single : A 76 ASN : amide:sc= -0.012 K(o=-0.012,f=-1.5!) USER MOD Single : A 78 ASN : amide:sc= 0.613 K(o=0.61,f=-2.2!) USER MOD Single : A 83 SER OG : rot -143:sc= 1.24 USER MOD Single : A 91 ASN : amide:sc= 0.308 K(o=0.31,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 160 N ASP A 12 -2.094 -3.052 -8.947 1.00 0.00 N ATOM 161 CA ASP A 12 -3.013 -3.926 -8.228 1.00 0.00 C ATOM 162 C ASP A 12 -2.663 -5.393 -8.445 1.00 0.00 C ATOM 163 O ASP A 12 -2.560 -6.164 -7.492 1.00 0.00 O ATOM 164 CB ASP A 12 -4.456 -3.669 -8.670 1.00 0.00 C ATOM 165 CG ASP A 12 -5.475 -4.455 -7.856 1.00 0.00 C ATOM 166 OD1 ASP A 12 -5.750 -4.062 -6.747 1.00 0.00 O ATOM 167 OD2 ASP A 12 -5.967 -5.440 -8.350 1.00 0.00 O ATOM 0 HA ASP A 12 -2.918 -3.701 -7.166 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.673 -2.604 -8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.560 -3.931 -9.723 1.00 0.00 H new ATOM 172 N ARG A 13 -2.481 -5.772 -9.706 1.00 0.00 N ATOM 173 CA ARG A 13 -2.120 -7.142 -10.049 1.00 0.00 C ATOM 174 C ARG A 13 -0.748 -7.505 -9.495 1.00 0.00 C ATOM 175 O ARG A 13 -0.550 -8.602 -8.972 1.00 0.00 O ATOM 176 CB ARG A 13 -2.121 -7.333 -11.559 1.00 0.00 C ATOM 177 CG ARG A 13 -1.843 -8.754 -12.023 1.00 0.00 C ATOM 178 CD ARG A 13 -2.066 -8.908 -13.484 1.00 0.00 C ATOM 179 NE ARG A 13 -1.872 -10.281 -13.921 1.00 0.00 N ATOM 180 CZ ARG A 13 -0.708 -10.780 -14.380 1.00 0.00 C ATOM 181 NH1 ARG A 13 0.354 -10.009 -14.458 1.00 0.00 N ATOM 182 NH2 ARG A 13 -0.634 -12.046 -14.754 1.00 0.00 N ATOM 0 H ARG A 13 -2.578 -5.149 -10.508 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.865 -7.800 -9.600 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.090 -7.021 -11.950 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.373 -6.671 -11.995 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.814 -9.021 -11.782 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.487 -9.446 -11.481 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.078 -8.588 -13.732 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.383 -8.255 -14.026 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.673 -10.910 -13.877 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.297 -9.032 -14.171 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.235 -10.388 -14.806 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.458 -12.644 -14.695 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.247 -12.424 -15.102 1.00 0.00 H new ATOM 196 N SER A 14 0.197 -6.578 -9.613 1.00 0.00 N ATOM 197 CA SER A 14 1.538 -6.780 -9.080 1.00 0.00 C ATOM 198 C SER A 14 1.494 -7.147 -7.602 1.00 0.00 C ATOM 199 O SER A 14 2.180 -8.069 -7.161 1.00 0.00 O ATOM 200 CB SER A 14 2.371 -5.528 -9.275 1.00 0.00 C ATOM 201 OG SER A 14 2.591 -5.278 -10.636 1.00 0.00 O ATOM 0 H SER A 14 0.058 -5.679 -10.074 1.00 0.00 H new ATOM 0 HA SER A 14 1.995 -7.607 -9.624 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.864 -4.676 -8.822 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.327 -5.639 -8.763 1.00 0.00 H new ATOM 0 HG SER A 14 3.129 -4.465 -10.736 1.00 0.00 H new ATOM 207 N LEU A 15 0.683 -6.420 -6.841 1.00 0.00 N ATOM 208 CA LEU A 15 0.536 -6.678 -5.414 1.00 0.00 C ATOM 209 C LEU A 15 -0.078 -8.050 -5.163 1.00 0.00 C ATOM 210 O LEU A 15 0.230 -8.706 -4.168 1.00 0.00 O ATOM 211 CB LEU A 15 -0.336 -5.595 -4.767 1.00 0.00 C ATOM 212 CG LEU A 15 0.284 -4.194 -4.700 1.00 0.00 C ATOM 213 CD1 LEU A 15 -0.757 -3.200 -4.201 1.00 0.00 C ATOM 214 CD2 LEU A 15 1.499 -4.219 -3.785 1.00 0.00 C ATOM 0 H LEU A 15 0.117 -5.646 -7.190 1.00 0.00 H new ATOM 0 HA LEU A 15 1.530 -6.658 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.273 -5.531 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.584 -5.911 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 15 0.608 -3.883 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.316 -2.204 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.606 -3.189 -4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.095 -3.495 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.939 -3.223 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.195 -4.529 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.234 -4.923 -4.176 1.00 0.00 H new ATOM 226 N ARG A 16 -0.948 -8.478 -6.072 1.00 0.00 N ATOM 227 CA ARG A 16 -1.625 -9.762 -5.938 1.00 0.00 C ATOM 228 C ARG A 16 -0.846 -10.872 -6.632 1.00 0.00 C ATOM 229 O ARG A 16 -1.313 -12.007 -6.725 1.00 0.00 O ATOM 230 CB ARG A 16 -3.029 -9.690 -6.522 1.00 0.00 C ATOM 231 CG ARG A 16 -3.993 -8.795 -5.760 1.00 0.00 C ATOM 232 CD ARG A 16 -5.363 -8.852 -6.331 1.00 0.00 C ATOM 233 NE ARG A 16 -5.456 -8.133 -7.591 1.00 0.00 N ATOM 234 CZ ARG A 16 -5.497 -8.718 -8.804 1.00 0.00 C ATOM 235 NH1 ARG A 16 -5.453 -10.028 -8.904 1.00 0.00 N ATOM 236 NH2 ARG A 16 -5.582 -7.975 -9.894 1.00 0.00 N ATOM 0 H ARG A 16 -1.201 -7.954 -6.910 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.686 -9.990 -4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.961 -9.335 -7.550 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.444 -10.697 -6.559 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.022 -9.099 -4.714 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.631 -7.767 -5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.649 -9.892 -6.485 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.071 -8.429 -5.619 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.493 -7.114 -7.554 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.388 -10.602 -8.063 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.484 -10.471 -9.822 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.617 -6.959 -9.817 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.613 -8.418 -10.812 1.00 0.00 H new ATOM 250 N SER A 17 0.344 -10.537 -7.119 1.00 0.00 N ATOM 251 CA SER A 17 1.183 -11.500 -7.822 1.00 0.00 C ATOM 252 C SER A 17 2.129 -12.210 -6.862 1.00 0.00 C ATOM 253 O SER A 17 2.744 -11.579 -6.002 1.00 0.00 O ATOM 254 CB SER A 17 1.979 -10.804 -8.909 1.00 0.00 C ATOM 255 OG SER A 17 1.135 -10.319 -9.917 1.00 0.00 O ATOM 0 H SER A 17 0.749 -9.604 -7.039 1.00 0.00 H new ATOM 0 HA SER A 17 0.531 -12.247 -8.274 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.547 -9.980 -8.478 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.701 -11.499 -9.338 1.00 0.00 H new ATOM 0 HG SER A 17 0.675 -9.514 -9.600 1.00 0.00 H new ATOM 261 N VAL A 18 2.243 -13.525 -7.015 1.00 0.00 N ATOM 262 CA VAL A 18 3.125 -14.321 -6.171 1.00 0.00 C ATOM 263 C VAL A 18 4.097 -15.142 -7.009 1.00 0.00 C ATOM 264 O VAL A 18 3.696 -15.818 -7.956 1.00 0.00 O ATOM 265 CB VAL A 18 2.300 -15.265 -5.276 1.00 0.00 C ATOM 266 CG1 VAL A 18 3.218 -16.153 -4.450 1.00 0.00 C ATOM 267 CG2 VAL A 18 1.382 -14.452 -4.375 1.00 0.00 C ATOM 0 H VAL A 18 1.734 -14.062 -7.717 1.00 0.00 H new ATOM 0 HA VAL A 18 3.696 -13.633 -5.548 1.00 0.00 H new ATOM 0 HB VAL A 18 1.688 -15.908 -5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.618 -16.813 -3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.841 -16.751 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.853 -15.532 -3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.801 -15.125 -3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.980 -13.792 -3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.706 -13.855 -4.988 1.00 0.00 H new ATOM 277 N PHE A 19 5.376 -15.078 -6.655 1.00 0.00 N ATOM 278 CA PHE A 19 6.394 -15.888 -7.313 1.00 0.00 C ATOM 279 C PHE A 19 6.667 -17.168 -6.533 1.00 0.00 C ATOM 280 O PHE A 19 7.000 -17.125 -5.348 1.00 0.00 O ATOM 281 CB PHE A 19 7.691 -15.093 -7.469 1.00 0.00 C ATOM 282 CG PHE A 19 8.766 -15.828 -8.219 1.00 0.00 C ATOM 283 CD1 PHE A 19 9.004 -15.558 -9.558 1.00 0.00 C ATOM 284 CD2 PHE A 19 9.540 -16.789 -7.587 1.00 0.00 C ATOM 285 CE1 PHE A 19 9.992 -16.234 -10.250 1.00 0.00 C ATOM 286 CE2 PHE A 19 10.529 -17.465 -8.275 1.00 0.00 C ATOM 287 CZ PHE A 19 10.755 -17.186 -9.608 1.00 0.00 C ATOM 0 H PHE A 19 5.732 -14.473 -5.915 1.00 0.00 H new ATOM 0 HA PHE A 19 6.017 -16.158 -8.300 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.474 -14.159 -7.987 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.066 -14.830 -6.480 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.411 -14.812 -10.066 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.368 -17.012 -6.544 1.00 0.00 H new ATOM 0 HE1 PHE A 19 10.166 -16.016 -11.293 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.125 -18.211 -7.770 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.528 -17.713 -10.147 1.00 0.00 H new ATOM 297 N VAL A 20 6.525 -18.306 -7.204 1.00 0.00 N ATOM 298 CA VAL A 20 6.721 -19.602 -6.565 1.00 0.00 C ATOM 299 C VAL A 20 7.851 -20.378 -7.230 1.00 0.00 C ATOM 300 O VAL A 20 7.863 -20.554 -8.448 1.00 0.00 O ATOM 301 CB VAL A 20 5.425 -20.431 -6.630 1.00 0.00 C ATOM 302 CG1 VAL A 20 5.626 -21.786 -5.967 1.00 0.00 C ATOM 303 CG2 VAL A 20 4.289 -19.669 -5.965 1.00 0.00 C ATOM 0 H VAL A 20 6.275 -18.357 -8.191 1.00 0.00 H new ATOM 0 HA VAL A 20 6.987 -19.421 -5.524 1.00 0.00 H new ATOM 0 HB VAL A 20 5.166 -20.601 -7.675 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.700 -22.359 -6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.419 -22.328 -6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.902 -21.643 -4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.375 -20.261 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.541 -19.477 -4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.135 -18.721 -6.481 1.00 0.00 H new ATOM 313 N GLY A 21 8.800 -20.840 -6.423 1.00 0.00 N ATOM 314 CA GLY A 21 9.925 -21.616 -6.929 1.00 0.00 C ATOM 315 C GLY A 21 10.122 -22.893 -6.121 1.00 0.00 C ATOM 316 O GLY A 21 9.335 -23.199 -5.225 1.00 0.00 O ATOM 0 H GLY A 21 8.812 -20.690 -5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.755 -21.868 -7.976 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.833 -21.014 -6.889 1.00 0.00 H new ATOM 320 N ASN A 22 11.176 -23.635 -6.444 1.00 0.00 N ATOM 321 CA ASN A 22 11.427 -24.925 -5.813 1.00 0.00 C ATOM 322 C ASN A 22 10.225 -25.850 -5.954 1.00 0.00 C ATOM 323 O ASN A 22 9.853 -26.549 -5.011 1.00 0.00 O ATOM 324 CB ASN A 22 11.791 -24.742 -4.351 1.00 0.00 C ATOM 325 CG ASN A 22 13.101 -24.028 -4.167 1.00 0.00 C ATOM 326 OD1 ASN A 22 13.824 -23.771 -5.137 1.00 0.00 O ATOM 327 ND2 ASN A 22 13.422 -23.702 -2.941 1.00 0.00 N ATOM 0 H ASN A 22 11.871 -23.364 -7.140 1.00 0.00 H new ATOM 0 HA ASN A 22 12.270 -25.390 -6.324 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.002 -24.180 -3.851 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.842 -25.718 -3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.299 -23.216 -2.756 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.795 -23.934 -2.171 1.00 0.00 H new ATOM 334 N ILE A 23 9.620 -25.850 -7.137 1.00 0.00 N ATOM 335 CA ILE A 23 8.462 -26.694 -7.406 1.00 0.00 C ATOM 336 C ILE A 23 8.887 -28.076 -7.886 1.00 0.00 C ATOM 337 O ILE A 23 9.599 -28.206 -8.882 1.00 0.00 O ATOM 338 CB ILE A 23 7.542 -26.046 -8.456 1.00 0.00 C ATOM 339 CG1 ILE A 23 6.976 -24.725 -7.928 1.00 0.00 C ATOM 340 CG2 ILE A 23 6.416 -26.996 -8.836 1.00 0.00 C ATOM 341 CD1 ILE A 23 6.240 -23.916 -8.971 1.00 0.00 C ATOM 0 H ILE A 23 9.913 -25.274 -7.926 1.00 0.00 H new ATOM 0 HA ILE A 23 7.914 -26.801 -6.470 1.00 0.00 H new ATOM 0 HB ILE A 23 8.130 -25.836 -9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.298 -24.936 -7.101 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.793 -24.125 -7.526 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.775 -26.522 -9.579 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.837 -27.912 -9.251 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.828 -27.236 -7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.868 -22.995 -8.522 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.919 -23.673 -9.789 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.401 -24.496 -9.356 1.00 0.00 H new ATOM 353 N PRO A 24 8.447 -29.106 -7.171 1.00 0.00 N ATOM 354 CA PRO A 24 8.717 -30.484 -7.566 1.00 0.00 C ATOM 355 C PRO A 24 8.220 -30.759 -8.980 1.00 0.00 C ATOM 356 O PRO A 24 7.117 -30.357 -9.349 1.00 0.00 O ATOM 357 CB PRO A 24 7.942 -31.299 -6.526 1.00 0.00 C ATOM 358 CG PRO A 24 7.860 -30.397 -5.342 1.00 0.00 C ATOM 359 CD PRO A 24 7.671 -29.024 -5.930 1.00 0.00 C ATOM 0 HA PRO A 24 9.779 -30.726 -7.589 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.951 -31.570 -6.890 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.457 -32.228 -6.284 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.028 -30.669 -4.692 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.766 -30.450 -4.739 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.621 -28.805 -6.121 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.045 -28.243 -5.268 1.00 0.00 H new ATOM 367 N TYR A 25 9.041 -31.447 -9.766 1.00 0.00 N ATOM 368 CA TYR A 25 8.716 -31.718 -11.162 1.00 0.00 C ATOM 369 C TYR A 25 7.538 -32.676 -11.278 1.00 0.00 C ATOM 370 O TYR A 25 6.792 -32.642 -12.256 1.00 0.00 O ATOM 371 CB TYR A 25 9.935 -32.283 -11.895 1.00 0.00 C ATOM 372 CG TYR A 25 11.054 -31.283 -12.080 1.00 0.00 C ATOM 373 CD1 TYR A 25 10.954 -30.018 -11.520 1.00 0.00 C ATOM 374 CD2 TYR A 25 12.181 -31.631 -12.810 1.00 0.00 C ATOM 375 CE1 TYR A 25 11.976 -29.104 -11.690 1.00 0.00 C ATOM 376 CE2 TYR A 25 13.204 -30.717 -12.979 1.00 0.00 C ATOM 377 CZ TYR A 25 13.103 -29.459 -12.422 1.00 0.00 C ATOM 378 OH TYR A 25 14.122 -28.549 -12.591 1.00 0.00 O ATOM 0 H TYR A 25 9.937 -31.827 -9.460 1.00 0.00 H new ATOM 0 HA TYR A 25 8.431 -30.775 -11.628 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.315 -33.141 -11.341 1.00 0.00 H new ATOM 0 HB3 TYR A 25 9.622 -32.649 -12.873 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.077 -29.747 -10.951 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.259 -32.616 -13.246 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.900 -28.118 -11.256 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.082 -30.988 -13.547 1.00 0.00 H new ATOM 0 HH TYR A 25 14.837 -28.954 -13.126 1.00 0.00 H new ATOM 388 N GLU A 26 7.377 -33.531 -10.274 1.00 0.00 N ATOM 389 CA GLU A 26 6.290 -34.503 -10.262 1.00 0.00 C ATOM 390 C GLU A 26 4.974 -33.852 -9.856 1.00 0.00 C ATOM 391 O GLU A 26 3.906 -34.449 -9.997 1.00 0.00 O ATOM 392 CB GLU A 26 6.615 -35.656 -9.309 1.00 0.00 C ATOM 393 CG GLU A 26 6.582 -35.281 -7.834 1.00 0.00 C ATOM 394 CD GLU A 26 7.890 -34.726 -7.343 1.00 0.00 C ATOM 395 OE1 GLU A 26 8.705 -34.366 -8.158 1.00 0.00 O ATOM 396 OE2 GLU A 26 8.075 -34.662 -6.150 1.00 0.00 O ATOM 0 H GLU A 26 7.986 -33.571 -9.457 1.00 0.00 H new ATOM 0 HA GLU A 26 6.182 -34.894 -11.274 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.905 -36.465 -9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.605 -36.043 -9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.796 -34.545 -7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.323 -36.161 -7.246 1.00 0.00 H new ATOM 403 N ALA A 27 5.056 -32.625 -9.353 1.00 0.00 N ATOM 404 CA ALA A 27 3.874 -31.900 -8.905 1.00 0.00 C ATOM 405 C ALA A 27 3.133 -31.275 -10.080 1.00 0.00 C ATOM 406 O ALA A 27 3.749 -30.823 -11.045 1.00 0.00 O ATOM 407 CB ALA A 27 4.260 -30.829 -7.894 1.00 0.00 C ATOM 0 H ALA A 27 5.931 -32.111 -9.245 1.00 0.00 H new ATOM 0 HA ALA A 27 3.204 -32.614 -8.425 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.366 -30.296 -7.569 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.737 -31.297 -7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.954 -30.126 -8.355 1.00 0.00 H new ATOM 413 N THR A 28 1.807 -31.252 -9.993 1.00 0.00 N ATOM 414 CA THR A 28 0.981 -30.663 -11.040 1.00 0.00 C ATOM 415 C THR A 28 0.487 -29.279 -10.638 1.00 0.00 C ATOM 416 O THR A 28 0.610 -28.878 -9.481 1.00 0.00 O ATOM 417 CB THR A 28 -0.222 -31.566 -11.370 1.00 0.00 C ATOM 418 OG1 THR A 28 -1.121 -31.597 -10.253 1.00 0.00 O ATOM 419 CG2 THR A 28 0.242 -32.981 -11.681 1.00 0.00 C ATOM 0 H THR A 28 1.281 -31.635 -9.207 1.00 0.00 H new ATOM 0 HA THR A 28 1.605 -30.568 -11.929 1.00 0.00 H new ATOM 0 HB THR A 28 -0.731 -31.161 -12.244 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.887 -32.171 -10.465 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.622 -33.605 -11.912 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.916 -32.963 -12.538 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.765 -33.391 -10.817 1.00 0.00 H new ATOM 427 N GLU A 29 -0.072 -28.554 -11.600 1.00 0.00 N ATOM 428 CA GLU A 29 -0.615 -27.226 -11.341 1.00 0.00 C ATOM 429 C GLU A 29 -1.786 -27.289 -10.369 1.00 0.00 C ATOM 430 O GLU A 29 -1.957 -26.404 -9.530 1.00 0.00 O ATOM 431 CB GLU A 29 -1.060 -26.567 -12.649 1.00 0.00 C ATOM 432 CG GLU A 29 0.083 -26.137 -13.557 1.00 0.00 C ATOM 433 CD GLU A 29 -0.391 -25.564 -14.864 1.00 0.00 C ATOM 434 OE1 GLU A 29 -1.390 -26.022 -15.364 1.00 0.00 O ATOM 435 OE2 GLU A 29 0.246 -24.667 -15.362 1.00 0.00 O ATOM 0 H GLU A 29 -0.161 -28.864 -12.568 1.00 0.00 H new ATOM 0 HA GLU A 29 0.175 -26.626 -10.888 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.698 -27.263 -13.193 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.669 -25.694 -12.413 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.691 -25.395 -13.040 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.726 -26.995 -13.754 1.00 0.00 H new ATOM 442 N GLU A 30 -2.590 -28.340 -10.487 1.00 0.00 N ATOM 443 CA GLU A 30 -3.769 -28.501 -9.644 1.00 0.00 C ATOM 444 C GLU A 30 -3.378 -28.774 -8.198 1.00 0.00 C ATOM 445 O GLU A 30 -4.012 -28.274 -7.268 1.00 0.00 O ATOM 446 CB GLU A 30 -4.648 -29.638 -10.169 1.00 0.00 C ATOM 447 CG GLU A 30 -5.353 -29.333 -11.483 1.00 0.00 C ATOM 448 CD GLU A 30 -6.317 -28.184 -11.377 1.00 0.00 C ATOM 449 OE1 GLU A 30 -7.117 -28.186 -10.473 1.00 0.00 O ATOM 450 OE2 GLU A 30 -6.252 -27.303 -12.202 1.00 0.00 O ATOM 0 H GLU A 30 -2.447 -29.094 -11.159 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.333 -27.569 -9.677 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.031 -30.527 -10.300 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.398 -29.878 -9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.608 -29.106 -12.245 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.890 -30.221 -11.816 1.00 0.00 H new ATOM 457 N GLN A 31 -2.331 -29.570 -8.013 1.00 0.00 N ATOM 458 CA GLN A 31 -1.797 -29.838 -6.683 1.00 0.00 C ATOM 459 C GLN A 31 -1.249 -28.569 -6.043 1.00 0.00 C ATOM 460 O GLN A 31 -1.426 -28.339 -4.847 1.00 0.00 O ATOM 461 CB GLN A 31 -0.701 -30.905 -6.750 1.00 0.00 C ATOM 462 CG GLN A 31 -1.211 -32.302 -7.059 1.00 0.00 C ATOM 463 CD GLN A 31 -0.085 -33.304 -7.231 1.00 0.00 C ATOM 464 OE1 GLN A 31 0.926 -33.018 -7.878 1.00 0.00 O ATOM 465 NE2 GLN A 31 -0.253 -34.487 -6.651 1.00 0.00 N ATOM 0 H GLN A 31 -1.834 -30.042 -8.769 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.615 -30.207 -6.065 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.024 -30.618 -7.512 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.171 -30.926 -5.798 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.868 -32.632 -6.254 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.811 -32.274 -7.969 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.105 -34.681 -6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.470 -35.202 -6.731 1.00 0.00 H new ATOM 474 N LEU A 32 -0.583 -27.748 -6.848 1.00 0.00 N ATOM 475 CA LEU A 32 -0.086 -26.457 -6.384 1.00 0.00 C ATOM 476 C LEU A 32 -1.233 -25.497 -6.098 1.00 0.00 C ATOM 477 O LEU A 32 -1.202 -24.753 -5.117 1.00 0.00 O ATOM 478 CB LEU A 32 0.853 -25.844 -7.430 1.00 0.00 C ATOM 479 CG LEU A 32 2.192 -26.567 -7.627 1.00 0.00 C ATOM 480 CD1 LEU A 32 2.862 -26.059 -8.897 1.00 0.00 C ATOM 481 CD2 LEU A 32 3.077 -26.337 -6.412 1.00 0.00 C ATOM 0 H LEU A 32 -0.375 -27.953 -7.825 1.00 0.00 H new ATOM 0 HA LEU A 32 0.463 -26.623 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.332 -25.816 -8.387 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.057 -24.811 -7.148 1.00 0.00 H new ATOM 0 HG LEU A 32 2.025 -27.639 -7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.813 -26.573 -9.037 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.215 -26.254 -9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.038 -24.987 -8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.028 -26.851 -6.552 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.256 -25.269 -6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.582 -26.726 -5.522 1.00 0.00 H new ATOM 493 N LYS A 33 -2.244 -25.517 -6.959 1.00 0.00 N ATOM 494 CA LYS A 33 -3.419 -24.672 -6.781 1.00 0.00 C ATOM 495 C LYS A 33 -4.138 -24.996 -5.477 1.00 0.00 C ATOM 496 O LYS A 33 -4.694 -24.110 -4.827 1.00 0.00 O ATOM 497 CB LYS A 33 -4.378 -24.831 -7.963 1.00 0.00 C ATOM 498 CG LYS A 33 -3.948 -24.095 -9.224 1.00 0.00 C ATOM 499 CD LYS A 33 -4.726 -24.579 -10.439 1.00 0.00 C ATOM 500 CE LYS A 33 -6.212 -24.286 -10.298 1.00 0.00 C ATOM 501 NZ LYS A 33 -6.970 -24.652 -11.525 1.00 0.00 N ATOM 0 H LYS A 33 -2.274 -26.110 -7.788 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.081 -23.637 -6.736 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.480 -25.892 -8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.364 -24.473 -7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.103 -23.024 -9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.881 -24.245 -9.389 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.341 -24.094 -11.336 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.575 -25.651 -10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.611 -24.838 -9.447 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.354 -23.226 -10.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.990 -24.631 -11.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.753 -23.973 -12.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.698 -25.609 -11.829 1.00 0.00 H new ATOM 515 N ASP A 34 -4.122 -26.270 -5.100 1.00 0.00 N ATOM 516 CA ASP A 34 -4.723 -26.704 -3.844 1.00 0.00 C ATOM 517 C ASP A 34 -4.065 -26.020 -2.653 1.00 0.00 C ATOM 518 O ASP A 34 -4.744 -25.453 -1.797 1.00 0.00 O ATOM 519 CB ASP A 34 -4.613 -28.223 -3.693 1.00 0.00 C ATOM 520 CG ASP A 34 -5.565 -28.980 -4.608 1.00 0.00 C ATOM 521 OD1 ASP A 34 -6.487 -28.377 -5.104 1.00 0.00 O ATOM 522 OD2 ASP A 34 -5.362 -30.155 -4.803 1.00 0.00 O ATOM 0 H ASP A 34 -3.699 -27.020 -5.646 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.776 -26.422 -3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.590 -28.531 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.818 -28.496 -2.658 1.00 0.00 H new ATOM 527 N ILE A 35 -2.738 -26.076 -2.603 1.00 0.00 N ATOM 528 CA ILE A 35 -1.988 -25.508 -1.490 1.00 0.00 C ATOM 529 C ILE A 35 -1.960 -23.987 -1.564 1.00 0.00 C ATOM 530 O ILE A 35 -1.582 -23.316 -0.603 1.00 0.00 O ATOM 531 CB ILE A 35 -0.547 -26.049 -1.466 1.00 0.00 C ATOM 532 CG1 ILE A 35 0.218 -25.584 -2.708 1.00 0.00 C ATOM 533 CG2 ILE A 35 -0.549 -27.567 -1.375 1.00 0.00 C ATOM 534 CD1 ILE A 35 1.705 -25.847 -2.643 1.00 0.00 C ATOM 0 H ILE A 35 -2.159 -26.510 -3.322 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.495 -25.805 -0.572 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.043 -25.654 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.192 -26.085 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.053 -24.515 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.478 -27.932 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.058 -27.876 -0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.068 -27.983 -2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.178 -25.490 -3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.130 -25.323 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.881 -26.918 -2.537 1.00 0.00 H new ATOM 546 N PHE A 36 -2.362 -23.448 -2.710 1.00 0.00 N ATOM 547 CA PHE A 36 -2.567 -22.011 -2.850 1.00 0.00 C ATOM 548 C PHE A 36 -3.948 -21.602 -2.354 1.00 0.00 C ATOM 549 O PHE A 36 -4.099 -20.583 -1.679 1.00 0.00 O ATOM 550 CB PHE A 36 -2.398 -21.587 -4.310 1.00 0.00 C ATOM 551 CG PHE A 36 -1.018 -21.827 -4.854 1.00 0.00 C ATOM 552 CD1 PHE A 36 -0.808 -21.951 -6.220 1.00 0.00 C ATOM 553 CD2 PHE A 36 0.071 -21.930 -4.003 1.00 0.00 C ATOM 554 CE1 PHE A 36 0.461 -22.172 -6.722 1.00 0.00 C ATOM 555 CE2 PHE A 36 1.340 -22.150 -4.502 1.00 0.00 C ATOM 556 CZ PHE A 36 1.535 -22.271 -5.863 1.00 0.00 C ATOM 0 H PHE A 36 -2.552 -23.985 -3.556 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.817 -21.508 -2.240 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.119 -22.129 -4.922 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.635 -20.527 -4.401 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.645 -21.874 -6.898 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.074 -21.837 -2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.611 -22.267 -7.787 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.180 -22.227 -3.827 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.527 -22.443 -6.254 1.00 0.00 H new ATOM 566 N SER A 37 -4.954 -22.401 -2.692 1.00 0.00 N ATOM 567 CA SER A 37 -6.340 -22.051 -2.406 1.00 0.00 C ATOM 568 C SER A 37 -6.625 -22.107 -0.911 1.00 0.00 C ATOM 569 O SER A 37 -7.507 -21.408 -0.411 1.00 0.00 O ATOM 570 CB SER A 37 -7.278 -22.987 -3.144 1.00 0.00 C ATOM 571 OG SER A 37 -7.217 -24.281 -2.611 1.00 0.00 O ATOM 0 H SER A 37 -4.835 -23.297 -3.165 1.00 0.00 H new ATOM 0 HA SER A 37 -6.506 -21.029 -2.748 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.299 -22.611 -3.079 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.015 -23.012 -4.201 1.00 0.00 H new ATOM 0 HG SER A 37 -6.292 -24.490 -2.366 1.00 0.00 H new ATOM 577 N GLU A 38 -5.874 -22.942 -0.201 1.00 0.00 N ATOM 578 CA GLU A 38 -6.008 -23.051 1.246 1.00 0.00 C ATOM 579 C GLU A 38 -5.505 -21.794 1.943 1.00 0.00 C ATOM 580 O GLU A 38 -5.815 -21.552 3.110 1.00 0.00 O ATOM 581 CB GLU A 38 -5.244 -24.273 1.762 1.00 0.00 C ATOM 582 CG GLU A 38 -3.729 -24.122 1.738 1.00 0.00 C ATOM 583 CD GLU A 38 -3.012 -25.341 2.250 1.00 0.00 C ATOM 584 OE1 GLU A 38 -3.264 -26.409 1.748 1.00 0.00 O ATOM 585 OE2 GLU A 38 -2.212 -25.202 3.145 1.00 0.00 O ATOM 0 H GLU A 38 -5.165 -23.554 -0.605 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.067 -23.168 1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.561 -24.479 2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.520 -25.140 1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.405 -23.918 0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.445 -23.259 2.341 1.00 0.00 H new ATOM 592 N VAL A 39 -4.726 -20.995 1.221 1.00 0.00 N ATOM 593 CA VAL A 39 -4.276 -19.703 1.726 1.00 0.00 C ATOM 594 C VAL A 39 -5.322 -18.622 1.484 1.00 0.00 C ATOM 595 O VAL A 39 -5.617 -17.821 2.371 1.00 0.00 O ATOM 596 CB VAL A 39 -2.954 -19.295 1.048 1.00 0.00 C ATOM 597 CG1 VAL A 39 -2.549 -17.892 1.473 1.00 0.00 C ATOM 598 CG2 VAL A 39 -1.865 -20.299 1.392 1.00 0.00 C ATOM 0 H VAL A 39 -4.393 -21.220 0.283 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.120 -19.803 2.800 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.096 -19.292 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.613 -17.620 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.327 -17.186 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.416 -17.864 2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.933 -20.005 0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.722 -20.325 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.158 -21.288 1.041 1.00 0.00 H new ATOM 608 N GLY A 40 -5.880 -18.606 0.278 1.00 0.00 N ATOM 609 CA GLY A 40 -6.925 -17.650 -0.069 1.00 0.00 C ATOM 610 C GLY A 40 -7.374 -17.825 -1.514 1.00 0.00 C ATOM 611 O GLY A 40 -6.813 -18.634 -2.254 1.00 0.00 O ATOM 0 H GLY A 40 -5.626 -19.245 -0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.777 -17.781 0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.557 -16.635 0.080 1.00 0.00 H new ATOM 615 N PRO A 41 -8.387 -17.063 -1.910 1.00 0.00 N ATOM 616 CA PRO A 41 -8.933 -17.154 -3.259 1.00 0.00 C ATOM 617 C PRO A 41 -7.866 -16.856 -4.305 1.00 0.00 C ATOM 618 O PRO A 41 -7.088 -15.913 -4.161 1.00 0.00 O ATOM 619 CB PRO A 41 -10.035 -16.091 -3.258 1.00 0.00 C ATOM 620 CG PRO A 41 -10.436 -15.982 -1.826 1.00 0.00 C ATOM 621 CD PRO A 41 -9.147 -16.136 -1.064 1.00 0.00 C ATOM 0 HA PRO A 41 -9.304 -18.148 -3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.670 -15.139 -3.643 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.875 -16.388 -3.886 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.909 -15.022 -1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.153 -16.756 -1.554 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.632 -15.183 -0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.312 -16.540 -0.065 1.00 0.00 H new ATOM 629 N VAL A 42 -7.836 -17.664 -5.360 1.00 0.00 N ATOM 630 CA VAL A 42 -6.818 -17.535 -6.395 1.00 0.00 C ATOM 631 C VAL A 42 -7.446 -17.239 -7.751 1.00 0.00 C ATOM 632 O VAL A 42 -8.427 -17.872 -8.143 1.00 0.00 O ATOM 633 CB VAL A 42 -5.985 -18.827 -6.489 1.00 0.00 C ATOM 634 CG1 VAL A 42 -4.953 -18.715 -7.601 1.00 0.00 C ATOM 635 CG2 VAL A 42 -5.312 -19.107 -5.155 1.00 0.00 C ATOM 0 H VAL A 42 -8.506 -18.416 -5.520 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.171 -16.702 -6.121 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.648 -19.659 -6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.373 -19.637 -7.653 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.459 -18.550 -8.552 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.286 -17.878 -7.395 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.725 -20.022 -5.229 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.657 -18.275 -4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.071 -19.225 -4.382 1.00 0.00 H new ATOM 645 N VAL A 43 -6.876 -16.274 -8.464 1.00 0.00 N ATOM 646 CA VAL A 43 -7.335 -15.940 -9.807 1.00 0.00 C ATOM 647 C VAL A 43 -6.910 -17.001 -10.814 1.00 0.00 C ATOM 648 O VAL A 43 -7.735 -17.525 -11.563 1.00 0.00 O ATOM 649 CB VAL A 43 -6.773 -14.572 -10.239 1.00 0.00 C ATOM 650 CG1 VAL A 43 -7.086 -14.307 -11.704 1.00 0.00 C ATOM 651 CG2 VAL A 43 -7.349 -13.475 -9.357 1.00 0.00 C ATOM 0 H VAL A 43 -6.094 -15.709 -8.134 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.424 -15.897 -9.784 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.689 -14.581 -10.122 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.682 -13.337 -11.993 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.635 -15.086 -12.319 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.166 -14.309 -11.851 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.948 -12.510 -9.667 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.435 -13.464 -9.452 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.078 -13.663 -8.318 1.00 0.00 H new ATOM 661 N SER A 44 -5.619 -17.313 -10.828 1.00 0.00 N ATOM 662 CA SER A 44 -5.078 -18.296 -11.759 1.00 0.00 C ATOM 663 C SER A 44 -3.648 -18.673 -11.394 1.00 0.00 C ATOM 664 O SER A 44 -3.019 -18.022 -10.560 1.00 0.00 O ATOM 665 CB SER A 44 -5.122 -17.754 -13.175 1.00 0.00 C ATOM 666 OG SER A 44 -4.207 -16.705 -13.339 1.00 0.00 O ATOM 0 H SER A 44 -4.927 -16.899 -10.204 1.00 0.00 H new ATOM 0 HA SER A 44 -5.694 -19.193 -11.696 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.896 -18.553 -13.881 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.128 -17.403 -13.403 1.00 0.00 H new ATOM 0 HG SER A 44 -4.252 -16.373 -14.260 1.00 0.00 H new ATOM 672 N PHE A 45 -3.141 -19.727 -12.023 1.00 0.00 N ATOM 673 CA PHE A 45 -1.753 -20.135 -11.837 1.00 0.00 C ATOM 674 C PHE A 45 -1.201 -20.797 -13.093 1.00 0.00 C ATOM 675 O PHE A 45 -1.902 -21.547 -13.772 1.00 0.00 O ATOM 676 CB PHE A 45 -1.634 -21.097 -10.653 1.00 0.00 C ATOM 677 CG PHE A 45 -0.285 -21.749 -10.536 1.00 0.00 C ATOM 678 CD1 PHE A 45 0.813 -21.028 -10.091 1.00 0.00 C ATOM 679 CD2 PHE A 45 -0.112 -23.083 -10.871 1.00 0.00 C ATOM 680 CE1 PHE A 45 2.054 -21.626 -9.982 1.00 0.00 C ATOM 681 CE2 PHE A 45 1.127 -23.684 -10.763 1.00 0.00 C ATOM 682 CZ PHE A 45 2.211 -22.954 -10.318 1.00 0.00 C ATOM 0 H PHE A 45 -3.670 -20.315 -12.667 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.168 -19.238 -11.633 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.846 -20.553 -9.732 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.395 -21.872 -10.748 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.697 -19.987 -9.827 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.956 -23.659 -11.221 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.901 -21.053 -9.634 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.248 -24.724 -11.027 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.180 -23.422 -10.233 1.00 0.00 H new ATOM 692 N ARG A 46 0.062 -20.515 -13.397 1.00 0.00 N ATOM 693 CA ARG A 46 0.737 -21.145 -14.525 1.00 0.00 C ATOM 694 C ARG A 46 2.107 -21.675 -14.120 1.00 0.00 C ATOM 695 O ARG A 46 2.944 -20.931 -13.609 1.00 0.00 O ATOM 696 CB ARG A 46 0.897 -20.160 -15.673 1.00 0.00 C ATOM 697 CG ARG A 46 -0.407 -19.686 -16.295 1.00 0.00 C ATOM 698 CD ARG A 46 -1.083 -20.772 -17.049 1.00 0.00 C ATOM 699 NE ARG A 46 -2.303 -20.309 -17.690 1.00 0.00 N ATOM 700 CZ ARG A 46 -3.517 -20.297 -17.106 1.00 0.00 C ATOM 701 NH1 ARG A 46 -3.656 -20.725 -15.871 1.00 0.00 N ATOM 702 NH2 ARG A 46 -4.568 -19.856 -17.775 1.00 0.00 N ATOM 0 H ARG A 46 0.639 -19.854 -12.877 1.00 0.00 H new ATOM 0 HA ARG A 46 0.119 -21.981 -14.851 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.448 -19.291 -15.313 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.505 -20.624 -16.449 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.071 -19.319 -15.512 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.208 -18.848 -16.963 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.403 -21.167 -17.804 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.318 -21.593 -16.371 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.235 -19.969 -18.649 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.845 -21.066 -15.355 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.575 -20.716 -15.429 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.460 -19.525 -18.734 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.487 -19.847 -17.333 1.00 0.00 H new ATOM 716 N LEU A 47 2.330 -22.964 -14.352 1.00 0.00 N ATOM 717 CA LEU A 47 3.630 -23.574 -14.102 1.00 0.00 C ATOM 718 C LEU A 47 4.498 -23.554 -15.353 1.00 0.00 C ATOM 719 O LEU A 47 4.073 -23.990 -16.423 1.00 0.00 O ATOM 720 CB LEU A 47 3.453 -25.019 -13.619 1.00 0.00 C ATOM 721 CG LEU A 47 4.749 -25.802 -13.372 1.00 0.00 C ATOM 722 CD1 LEU A 47 5.525 -25.153 -12.233 1.00 0.00 C ATOM 723 CD2 LEU A 47 4.414 -27.250 -13.050 1.00 0.00 C ATOM 0 H LEU A 47 1.626 -23.607 -14.713 1.00 0.00 H new ATOM 0 HA LEU A 47 4.129 -22.991 -13.328 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.877 -25.005 -12.694 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.859 -25.559 -14.357 1.00 0.00 H new ATOM 0 HG LEU A 47 5.372 -25.784 -14.267 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.446 -25.709 -12.057 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.767 -24.124 -12.498 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.918 -25.161 -11.328 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.335 -27.806 -12.875 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.791 -27.289 -12.157 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.876 -27.694 -13.888 1.00 0.00 H new ATOM 735 N VAL A 48 5.717 -23.044 -15.213 1.00 0.00 N ATOM 736 CA VAL A 48 6.604 -22.853 -16.354 1.00 0.00 C ATOM 737 C VAL A 48 7.412 -24.113 -16.640 1.00 0.00 C ATOM 738 O VAL A 48 8.129 -24.612 -15.773 1.00 0.00 O ATOM 739 CB VAL A 48 7.566 -21.679 -16.093 1.00 0.00 C ATOM 740 CG1 VAL A 48 8.508 -21.490 -17.273 1.00 0.00 C ATOM 741 CG2 VAL A 48 6.772 -20.409 -15.829 1.00 0.00 C ATOM 0 H VAL A 48 6.114 -22.755 -14.319 1.00 0.00 H new ATOM 0 HA VAL A 48 5.983 -22.631 -17.222 1.00 0.00 H new ATOM 0 HB VAL A 48 8.168 -21.904 -15.213 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.181 -20.656 -17.072 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.091 -22.399 -17.422 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.928 -21.279 -18.171 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.458 -19.582 -15.645 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.153 -20.180 -16.696 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.135 -20.553 -14.956 1.00 0.00 H new ATOM 878 N LYS A 57 10.459 -26.099 -14.928 1.00 0.00 N ATOM 879 CA LYS A 57 11.679 -25.394 -14.553 1.00 0.00 C ATOM 880 C LYS A 57 11.837 -25.334 -13.039 1.00 0.00 C ATOM 881 O LYS A 57 12.918 -25.038 -12.530 1.00 0.00 O ATOM 882 CB LYS A 57 11.683 -23.981 -15.139 1.00 0.00 C ATOM 883 CG LYS A 57 11.816 -23.929 -16.655 1.00 0.00 C ATOM 884 CD LYS A 57 11.956 -22.496 -17.148 1.00 0.00 C ATOM 885 CE LYS A 57 12.010 -22.436 -18.668 1.00 0.00 C ATOM 886 NZ LYS A 57 12.148 -21.040 -19.165 1.00 0.00 N ATOM 0 HA LYS A 57 12.524 -25.949 -14.962 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.760 -23.478 -14.850 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.505 -23.419 -14.695 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.684 -24.510 -16.966 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.942 -24.391 -17.115 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.116 -21.902 -16.788 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.861 -22.053 -16.732 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.849 -23.033 -19.025 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.104 -22.880 -19.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.181 -21.043 -20.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.334 -20.476 -18.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.025 -20.624 -18.792 1.00 0.00 H new ATOM 900 N GLY A 58 10.753 -25.616 -12.325 1.00 0.00 N ATOM 901 CA GLY A 58 10.753 -25.534 -10.869 1.00 0.00 C ATOM 902 C GLY A 58 10.162 -24.213 -10.392 1.00 0.00 C ATOM 903 O GLY A 58 10.142 -23.927 -9.195 1.00 0.00 O ATOM 0 H GLY A 58 9.863 -25.904 -12.731 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.179 -26.363 -10.455 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.772 -25.635 -10.496 1.00 0.00 H new ATOM 907 N TYR A 59 9.682 -23.411 -11.336 1.00 0.00 N ATOM 908 CA TYR A 59 9.130 -22.099 -11.019 1.00 0.00 C ATOM 909 C TYR A 59 7.795 -21.879 -11.718 1.00 0.00 C ATOM 910 O TYR A 59 7.535 -22.452 -12.776 1.00 0.00 O ATOM 911 CB TYR A 59 10.118 -20.996 -11.404 1.00 0.00 C ATOM 912 CG TYR A 59 11.490 -21.163 -10.788 1.00 0.00 C ATOM 913 CD1 TYR A 59 12.479 -21.853 -11.473 1.00 0.00 C ATOM 914 CD2 TYR A 59 11.759 -20.625 -9.538 1.00 0.00 C ATOM 915 CE1 TYR A 59 13.731 -22.006 -10.910 1.00 0.00 C ATOM 916 CE2 TYR A 59 13.011 -20.777 -8.975 1.00 0.00 C ATOM 917 CZ TYR A 59 13.995 -21.465 -9.657 1.00 0.00 C ATOM 918 OH TYR A 59 15.242 -21.616 -9.097 1.00 0.00 O ATOM 0 H TYR A 59 9.664 -23.647 -12.328 1.00 0.00 H new ATOM 0 HA TYR A 59 8.959 -22.059 -9.943 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.218 -20.973 -12.489 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.709 -20.032 -11.101 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.270 -22.271 -12.447 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.989 -20.087 -9.005 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.502 -22.544 -11.441 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.220 -20.358 -8.002 1.00 0.00 H new ATOM 0 HH TYR A 59 15.262 -21.179 -8.220 1.00 0.00 H new ATOM 928 N GLY A 60 6.950 -21.046 -11.120 1.00 0.00 N ATOM 929 CA GLY A 60 5.652 -20.724 -11.700 1.00 0.00 C ATOM 930 C GLY A 60 5.149 -19.372 -11.209 1.00 0.00 C ATOM 931 O GLY A 60 5.810 -18.705 -10.413 1.00 0.00 O ATOM 0 H GLY A 60 7.142 -20.581 -10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.729 -20.713 -12.787 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.932 -21.499 -11.439 1.00 0.00 H new ATOM 935 N PHE A 61 3.976 -18.973 -11.690 1.00 0.00 N ATOM 936 CA PHE A 61 3.409 -17.675 -11.344 1.00 0.00 C ATOM 937 C PHE A 61 1.962 -17.810 -10.889 1.00 0.00 C ATOM 938 O PHE A 61 1.130 -18.381 -11.594 1.00 0.00 O ATOM 939 CB PHE A 61 3.486 -16.723 -12.539 1.00 0.00 C ATOM 940 CG PHE A 61 2.828 -15.394 -12.299 1.00 0.00 C ATOM 941 CD1 PHE A 61 3.536 -14.346 -11.730 1.00 0.00 C ATOM 942 CD2 PHE A 61 1.499 -15.189 -12.640 1.00 0.00 C ATOM 943 CE1 PHE A 61 2.931 -13.123 -11.508 1.00 0.00 C ATOM 944 CE2 PHE A 61 0.893 -13.968 -12.421 1.00 0.00 C ATOM 945 CZ PHE A 61 1.610 -12.934 -11.854 1.00 0.00 C ATOM 0 H PHE A 61 3.400 -19.530 -12.321 1.00 0.00 H new ATOM 0 HA PHE A 61 3.994 -17.267 -10.520 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.533 -16.559 -12.794 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.019 -17.199 -13.401 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.571 -14.487 -11.457 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.931 -15.994 -13.082 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.493 -12.315 -11.063 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.142 -13.822 -12.693 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.137 -11.978 -11.682 1.00 0.00 H new ATOM 955 N CYS A 62 1.667 -17.282 -9.706 1.00 0.00 N ATOM 956 CA CYS A 62 0.321 -17.349 -9.150 1.00 0.00 C ATOM 957 C CYS A 62 -0.263 -15.957 -8.951 1.00 0.00 C ATOM 958 O CYS A 62 0.433 -15.036 -8.523 1.00 0.00 O ATOM 959 CB CYS A 62 0.327 -18.090 -7.813 1.00 0.00 C ATOM 960 SG CYS A 62 -1.312 -18.300 -7.077 1.00 0.00 S ATOM 0 H CYS A 62 2.344 -16.802 -9.113 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.300 -17.892 -9.863 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.778 -19.072 -7.956 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.961 -17.547 -7.112 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.341 -17.725 -5.911 1.00 0.00 H new ATOM 966 N GLU A 63 -1.546 -15.808 -9.264 1.00 0.00 N ATOM 967 CA GLU A 63 -2.253 -14.556 -9.025 1.00 0.00 C ATOM 968 C GLU A 63 -3.426 -14.759 -8.075 1.00 0.00 C ATOM 969 O GLU A 63 -4.328 -15.551 -8.347 1.00 0.00 O ATOM 970 CB GLU A 63 -2.750 -13.963 -10.345 1.00 0.00 C ATOM 971 CG GLU A 63 -3.474 -12.632 -10.203 1.00 0.00 C ATOM 972 CD GLU A 63 -3.875 -12.040 -11.526 1.00 0.00 C ATOM 973 OE1 GLU A 63 -3.336 -12.450 -12.526 1.00 0.00 O ATOM 974 OE2 GLU A 63 -4.722 -11.178 -11.536 1.00 0.00 O ATOM 0 H GLU A 63 -2.118 -16.541 -9.685 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.552 -13.861 -8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.899 -13.830 -11.013 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.420 -14.678 -10.821 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.363 -12.772 -9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.830 -11.928 -9.676 1.00 0.00 H new ATOM 981 N TYR A 64 -3.409 -14.038 -6.958 1.00 0.00 N ATOM 982 CA TYR A 64 -4.477 -14.130 -5.971 1.00 0.00 C ATOM 983 C TYR A 64 -5.538 -13.062 -6.205 1.00 0.00 C ATOM 984 O TYR A 64 -5.300 -12.082 -6.912 1.00 0.00 O ATOM 985 CB TYR A 64 -3.909 -14.011 -4.555 1.00 0.00 C ATOM 986 CG TYR A 64 -3.260 -15.281 -4.049 1.00 0.00 C ATOM 987 CD1 TYR A 64 -1.989 -15.630 -4.482 1.00 0.00 C ATOM 988 CD2 TYR A 64 -3.935 -16.095 -3.153 1.00 0.00 C ATOM 989 CE1 TYR A 64 -1.396 -16.789 -4.020 1.00 0.00 C ATOM 990 CE2 TYR A 64 -3.343 -17.255 -2.691 1.00 0.00 C ATOM 991 CZ TYR A 64 -2.078 -17.602 -3.122 1.00 0.00 C ATOM 992 OH TYR A 64 -1.488 -18.756 -2.662 1.00 0.00 O ATOM 0 H TYR A 64 -2.666 -13.383 -6.715 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.950 -15.106 -6.080 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.175 -13.206 -4.535 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.712 -13.728 -3.874 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.463 -14.996 -5.180 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.924 -15.823 -2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.406 -17.062 -4.355 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.869 -17.890 -1.993 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.179 -19.366 -2.328 1.00 0.00 H new ATOM 1002 N GLN A 65 -6.709 -13.256 -5.608 1.00 0.00 N ATOM 1003 CA GLN A 65 -7.789 -12.283 -5.706 1.00 0.00 C ATOM 1004 C GLN A 65 -7.643 -11.190 -4.655 1.00 0.00 C ATOM 1005 O GLN A 65 -8.381 -10.205 -4.663 1.00 0.00 O ATOM 1006 CB GLN A 65 -9.148 -12.973 -5.557 1.00 0.00 C ATOM 1007 CG GLN A 65 -9.468 -13.962 -6.664 1.00 0.00 C ATOM 1008 CD GLN A 65 -10.799 -14.659 -6.451 1.00 0.00 C ATOM 1009 OE1 GLN A 65 -11.601 -14.251 -5.606 1.00 0.00 O ATOM 1010 NE2 GLN A 65 -11.041 -15.717 -7.216 1.00 0.00 N ATOM 0 H GLN A 65 -6.934 -14.080 -5.050 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.731 -11.821 -6.691 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.175 -13.494 -4.600 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.928 -12.212 -5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.484 -13.440 -7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.675 -14.708 -6.721 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.349 -16.019 -7.902 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.919 -16.227 -7.118 1.00 0.00 H new ATOM 1019 N ASP A 66 -6.686 -11.370 -3.751 1.00 0.00 N ATOM 1020 CA ASP A 66 -6.471 -10.422 -2.664 1.00 0.00 C ATOM 1021 C ASP A 66 -5.008 -10.393 -2.240 1.00 0.00 C ATOM 1022 O ASP A 66 -4.434 -11.422 -1.885 1.00 0.00 O ATOM 1023 CB ASP A 66 -7.350 -10.777 -1.462 1.00 0.00 C ATOM 1024 CG ASP A 66 -7.307 -9.721 -0.365 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.414 -8.909 -0.384 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -8.169 -9.738 0.482 1.00 0.00 O ATOM 0 H ASP A 66 -6.046 -12.164 -3.750 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.745 -9.432 -3.029 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.380 -10.905 -1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.027 -11.734 -1.052 1.00 0.00 H new ATOM 1031 N GLN A 67 -4.410 -9.207 -2.279 1.00 0.00 N ATOM 1032 CA GLN A 67 -2.984 -9.059 -2.018 1.00 0.00 C ATOM 1033 C GLN A 67 -2.648 -9.418 -0.576 1.00 0.00 C ATOM 1034 O GLN A 67 -1.489 -9.668 -0.242 1.00 0.00 O ATOM 1035 CB GLN A 67 -2.528 -7.629 -2.320 1.00 0.00 C ATOM 1036 CG GLN A 67 -3.100 -6.582 -1.379 1.00 0.00 C ATOM 1037 CD GLN A 67 -4.439 -6.050 -1.851 1.00 0.00 C ATOM 1038 OE1 GLN A 67 -5.201 -6.751 -2.523 1.00 0.00 O ATOM 1039 NE2 GLN A 67 -4.736 -4.803 -1.502 1.00 0.00 N ATOM 0 H GLN A 67 -4.892 -8.333 -2.489 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.453 -9.747 -2.676 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.440 -7.589 -2.272 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.812 -7.377 -3.342 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.214 -7.014 -0.385 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.395 -5.755 -1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.077 -4.258 -0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.623 -4.390 -1.790 1.00 0.00 H new ATOM 1048 N GLU A 68 -3.668 -9.442 0.275 1.00 0.00 N ATOM 1049 CA GLU A 68 -3.504 -9.888 1.654 1.00 0.00 C ATOM 1050 C GLU A 68 -3.252 -11.389 1.721 1.00 0.00 C ATOM 1051 O GLU A 68 -2.530 -11.868 2.596 1.00 0.00 O ATOM 1052 CB GLU A 68 -4.742 -9.532 2.480 1.00 0.00 C ATOM 1053 CG GLU A 68 -4.940 -8.040 2.705 1.00 0.00 C ATOM 1054 CD GLU A 68 -3.814 -7.410 3.477 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -3.409 -7.974 4.465 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -3.359 -6.364 3.078 1.00 0.00 O ATOM 0 H GLU A 68 -4.618 -9.158 0.034 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.636 -9.375 2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.624 -9.932 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.672 -10.027 3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.036 -7.542 1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.876 -7.880 3.241 1.00 0.00 H new ATOM 1063 N THR A 69 -3.850 -12.127 0.792 1.00 0.00 N ATOM 1064 CA THR A 69 -3.647 -13.568 0.710 1.00 0.00 C ATOM 1065 C THR A 69 -2.406 -13.904 -0.107 1.00 0.00 C ATOM 1066 O THR A 69 -1.812 -14.969 0.059 1.00 0.00 O ATOM 1067 CB THR A 69 -4.875 -14.267 0.097 1.00 0.00 C ATOM 1068 OG1 THR A 69 -5.081 -13.791 -1.239 1.00 0.00 O ATOM 1069 CG2 THR A 69 -6.118 -13.988 0.929 1.00 0.00 C ATOM 0 H THR A 69 -4.480 -11.750 0.084 1.00 0.00 H new ATOM 0 HA THR A 69 -3.506 -13.932 1.728 1.00 0.00 H new ATOM 0 HB THR A 69 -4.694 -15.342 0.083 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.464 -13.052 -1.422 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.976 -14.490 0.481 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.969 -14.360 1.943 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.301 -12.914 0.960 1.00 0.00 H new ATOM 1077 N ALA A 70 -2.020 -12.989 -0.990 1.00 0.00 N ATOM 1078 CA ALA A 70 -0.747 -13.092 -1.693 1.00 0.00 C ATOM 1079 C ALA A 70 0.426 -12.954 -0.730 1.00 0.00 C ATOM 1080 O ALA A 70 1.389 -13.717 -0.797 1.00 0.00 O ATOM 1081 CB ALA A 70 -0.659 -12.039 -2.788 1.00 0.00 C ATOM 0 H ALA A 70 -2.571 -12.167 -1.236 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.694 -14.080 -2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.297 -12.129 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.471 -12.186 -3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.740 -11.046 -2.345 1.00 0.00 H new ATOM 1087 N LEU A 71 0.338 -11.975 0.164 1.00 0.00 N ATOM 1088 CA LEU A 71 1.353 -11.785 1.194 1.00 0.00 C ATOM 1089 C LEU A 71 1.343 -12.932 2.196 1.00 0.00 C ATOM 1090 O LEU A 71 2.394 -13.366 2.668 1.00 0.00 O ATOM 1091 CB LEU A 71 1.125 -10.456 1.925 1.00 0.00 C ATOM 1092 CG LEU A 71 1.401 -9.190 1.104 1.00 0.00 C ATOM 1093 CD1 LEU A 71 0.936 -7.967 1.885 1.00 0.00 C ATOM 1094 CD2 LEU A 71 2.886 -9.104 0.787 1.00 0.00 C ATOM 0 H LEU A 71 -0.426 -11.300 0.196 1.00 0.00 H new ATOM 0 HA LEU A 71 2.327 -11.766 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.092 -10.425 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.758 -10.437 2.812 1.00 0.00 H new ATOM 0 HG LEU A 71 0.851 -9.228 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.132 -7.067 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.133 -8.046 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.476 -7.912 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.082 -8.204 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.455 -9.065 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.187 -9.981 0.214 1.00 0.00 H new ATOM 1106 N SER A 72 0.149 -13.419 2.518 1.00 0.00 N ATOM 1107 CA SER A 72 0.004 -14.581 3.386 1.00 0.00 C ATOM 1108 C SER A 72 0.631 -15.819 2.758 1.00 0.00 C ATOM 1109 O SER A 72 1.281 -16.612 3.439 1.00 0.00 O ATOM 1110 CB SER A 72 -1.462 -14.837 3.676 1.00 0.00 C ATOM 1111 OG SER A 72 -2.018 -13.785 4.416 1.00 0.00 O ATOM 0 H SER A 72 -0.733 -13.026 2.190 1.00 0.00 H new ATOM 0 HA SER A 72 0.525 -14.370 4.320 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.007 -14.955 2.739 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.570 -15.771 4.227 1.00 0.00 H new ATOM 0 HG SER A 72 -2.363 -13.101 3.804 1.00 0.00 H new ATOM 1117 N ALA A 73 0.432 -15.980 1.454 1.00 0.00 N ATOM 1118 CA ALA A 73 1.047 -17.075 0.714 1.00 0.00 C ATOM 1119 C ALA A 73 2.565 -17.034 0.831 1.00 0.00 C ATOM 1120 O ALA A 73 3.210 -18.064 1.031 1.00 0.00 O ATOM 1121 CB ALA A 73 0.628 -17.027 -0.748 1.00 0.00 C ATOM 0 H ALA A 73 -0.152 -15.365 0.887 1.00 0.00 H new ATOM 0 HA ALA A 73 0.700 -18.012 1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.095 -17.851 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.456 -17.115 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.944 -16.080 -1.186 1.00 0.00 H new ATOM 1127 N MET A 74 3.132 -15.839 0.706 1.00 0.00 N ATOM 1128 CA MET A 74 4.561 -15.642 0.916 1.00 0.00 C ATOM 1129 C MET A 74 4.980 -16.092 2.310 1.00 0.00 C ATOM 1130 O MET A 74 5.922 -16.868 2.465 1.00 0.00 O ATOM 1131 CB MET A 74 4.930 -14.176 0.696 1.00 0.00 C ATOM 1132 CG MET A 74 6.376 -13.834 1.028 1.00 0.00 C ATOM 1133 SD MET A 74 6.725 -12.071 0.878 1.00 0.00 S ATOM 1134 CE MET A 74 5.765 -11.419 2.241 1.00 0.00 C ATOM 0 H MET A 74 2.622 -14.991 0.460 1.00 0.00 H new ATOM 0 HA MET A 74 5.097 -16.254 0.191 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.739 -13.918 -0.346 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.274 -13.554 1.304 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.598 -14.159 2.044 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.038 -14.389 0.364 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.137 -10.430 2.508 1.00 0.00 H new ATOM 0 HE2 MET A 74 4.718 -11.346 1.946 1.00 0.00 H new ATOM 0 HE3 MET A 74 5.855 -12.084 3.100 1.00 0.00 H new ATOM 1144 N ARG A 75 4.274 -15.599 3.322 1.00 0.00 N ATOM 1145 CA ARG A 75 4.673 -15.809 4.709 1.00 0.00 C ATOM 1146 C ARG A 75 4.448 -17.254 5.134 1.00 0.00 C ATOM 1147 O ARG A 75 5.079 -17.740 6.073 1.00 0.00 O ATOM 1148 CB ARG A 75 3.898 -14.884 5.635 1.00 0.00 C ATOM 1149 CG ARG A 75 4.207 -13.404 5.467 1.00 0.00 C ATOM 1150 CD ARG A 75 3.371 -12.563 6.362 1.00 0.00 C ATOM 1151 NE ARG A 75 1.960 -12.643 6.019 1.00 0.00 N ATOM 1152 CZ ARG A 75 0.967 -12.071 6.728 1.00 0.00 C ATOM 1153 NH1 ARG A 75 1.246 -11.382 7.813 1.00 0.00 N ATOM 1154 NH2 ARG A 75 -0.287 -12.202 6.333 1.00 0.00 N ATOM 0 H ARG A 75 3.422 -15.051 3.207 1.00 0.00 H new ATOM 0 HA ARG A 75 5.737 -15.584 4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.832 -15.039 5.470 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.106 -15.169 6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.261 -13.226 5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.038 -13.112 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.512 -12.881 7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.702 -11.526 6.299 1.00 0.00 H new ATOM 0 HE ARG A 75 1.704 -13.169 5.183 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.214 -11.281 8.118 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.494 -10.949 8.350 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.503 -12.736 5.491 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.039 -11.769 6.870 1.00 0.00 H new ATOM 1168 N ASN A 76 3.545 -17.936 4.439 1.00 0.00 N ATOM 1169 CA ASN A 76 3.172 -19.299 4.797 1.00 0.00 C ATOM 1170 C ASN A 76 3.966 -20.318 3.990 1.00 0.00 C ATOM 1171 O ASN A 76 4.553 -21.245 4.548 1.00 0.00 O ATOM 1172 CB ASN A 76 1.681 -19.513 4.607 1.00 0.00 C ATOM 1173 CG ASN A 76 0.858 -18.791 5.637 1.00 0.00 C ATOM 1174 OD1 ASN A 76 1.354 -18.448 6.717 1.00 0.00 O ATOM 1175 ND2 ASN A 76 -0.390 -18.553 5.325 1.00 0.00 N ATOM 0 H ASN A 76 3.057 -17.567 3.623 1.00 0.00 H new ATOM 0 HA ASN A 76 3.412 -19.445 5.850 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.393 -19.172 3.613 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.462 -20.580 4.654 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.997 -18.066 5.985 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.756 -18.854 4.422 1.00 0.00 H new ATOM 1182 N LEU A 77 3.982 -20.141 2.673 1.00 0.00 N ATOM 1183 CA LEU A 77 4.475 -21.171 1.767 1.00 0.00 C ATOM 1184 C LEU A 77 5.997 -21.158 1.695 1.00 0.00 C ATOM 1185 O LEU A 77 6.623 -22.180 1.413 1.00 0.00 O ATOM 1186 CB LEU A 77 3.889 -20.967 0.364 1.00 0.00 C ATOM 1187 CG LEU A 77 2.366 -21.112 0.252 1.00 0.00 C ATOM 1188 CD1 LEU A 77 1.920 -20.723 -1.151 1.00 0.00 C ATOM 1189 CD2 LEU A 77 1.967 -22.544 0.575 1.00 0.00 C ATOM 0 H LEU A 77 3.659 -19.292 2.209 1.00 0.00 H new ATOM 0 HA LEU A 77 4.157 -22.139 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.168 -19.973 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.355 -21.684 -0.312 1.00 0.00 H new ATOM 0 HG LEU A 77 1.875 -20.449 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.838 -20.826 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.201 -19.689 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.401 -21.375 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.885 -22.647 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.449 -23.223 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.281 -22.789 1.590 1.00 0.00 H new ATOM 1201 N ASN A 78 6.587 -19.996 1.952 1.00 0.00 N ATOM 1202 CA ASN A 78 8.035 -19.842 1.893 1.00 0.00 C ATOM 1203 C ASN A 78 8.721 -20.670 2.973 1.00 0.00 C ATOM 1204 O ASN A 78 8.621 -20.363 4.161 1.00 0.00 O ATOM 1205 CB ASN A 78 8.423 -18.380 2.014 1.00 0.00 C ATOM 1206 CG ASN A 78 9.904 -18.162 1.877 1.00 0.00 C ATOM 1207 OD1 ASN A 78 10.696 -18.677 2.674 1.00 0.00 O ATOM 1208 ND2 ASN A 78 10.293 -17.407 0.881 1.00 0.00 N ATOM 0 H ASN A 78 6.083 -19.146 2.204 1.00 0.00 H new ATOM 0 HA ASN A 78 8.372 -20.210 0.924 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.902 -17.805 1.248 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.091 -17.998 2.980 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.286 -17.223 0.738 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.603 -17.003 0.248 1.00 0.00 H new ATOM 1215 N GLY A 79 9.417 -21.721 2.553 1.00 0.00 N ATOM 1216 CA GLY A 79 10.106 -22.605 3.485 1.00 0.00 C ATOM 1217 C GLY A 79 9.246 -23.812 3.837 1.00 0.00 C ATOM 1218 O GLY A 79 9.681 -24.705 4.564 1.00 0.00 O ATOM 0 H GLY A 79 9.519 -21.981 1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.045 -22.940 3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.357 -22.056 4.393 1.00 0.00 H new ATOM 1222 N ARG A 80 8.022 -23.832 3.319 1.00 0.00 N ATOM 1223 CA ARG A 80 7.095 -24.924 3.586 1.00 0.00 C ATOM 1224 C ARG A 80 7.412 -26.139 2.724 1.00 0.00 C ATOM 1225 O ARG A 80 7.655 -26.015 1.524 1.00 0.00 O ATOM 1226 CB ARG A 80 5.661 -24.484 3.329 1.00 0.00 C ATOM 1227 CG ARG A 80 4.605 -25.532 3.642 1.00 0.00 C ATOM 1228 CD ARG A 80 3.231 -24.997 3.465 1.00 0.00 C ATOM 1229 NE ARG A 80 2.217 -26.008 3.719 1.00 0.00 N ATOM 1230 CZ ARG A 80 0.890 -25.802 3.623 1.00 0.00 C ATOM 1231 NH1 ARG A 80 0.431 -24.619 3.278 1.00 0.00 N ATOM 1232 NH2 ARG A 80 0.048 -26.789 3.876 1.00 0.00 N ATOM 0 H ARG A 80 7.649 -23.103 2.711 1.00 0.00 H new ATOM 0 HA ARG A 80 7.207 -25.199 4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.457 -23.594 3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.567 -24.195 2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.746 -26.396 2.992 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.731 -25.880 4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.080 -24.154 4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.118 -24.617 2.450 1.00 0.00 H new ATOM 0 HE ARG A 80 2.534 -26.939 3.989 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.080 -23.857 3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.574 -24.463 3.205 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.404 -27.707 4.144 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.957 -26.633 3.803 1.00 0.00 H new ATOM 1246 N GLU A 81 7.409 -27.315 3.343 1.00 0.00 N ATOM 1247 CA GLU A 81 7.720 -28.553 2.638 1.00 0.00 C ATOM 1248 C GLU A 81 6.593 -28.945 1.691 1.00 0.00 C ATOM 1249 O GLU A 81 5.422 -28.939 2.068 1.00 0.00 O ATOM 1250 CB GLU A 81 7.976 -29.685 3.636 1.00 0.00 C ATOM 1251 CG GLU A 81 8.376 -31.007 2.997 1.00 0.00 C ATOM 1252 CD GLU A 81 8.649 -32.086 4.008 1.00 0.00 C ATOM 1253 OE1 GLU A 81 8.580 -31.807 5.181 1.00 0.00 O ATOM 1254 OE2 GLU A 81 8.926 -33.192 3.607 1.00 0.00 O ATOM 0 H GLU A 81 7.194 -27.437 4.333 1.00 0.00 H new ATOM 0 HA GLU A 81 8.621 -28.383 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.762 -29.375 4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.075 -29.840 4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.582 -31.336 2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.266 -30.855 2.386 1.00 0.00 H new ATOM 1261 N PHE A 82 6.956 -29.284 0.458 1.00 0.00 N ATOM 1262 CA PHE A 82 5.988 -29.771 -0.518 1.00 0.00 C ATOM 1263 C PHE A 82 6.582 -30.879 -1.378 1.00 0.00 C ATOM 1264 O PHE A 82 7.378 -30.619 -2.280 1.00 0.00 O ATOM 1265 CB PHE A 82 5.510 -28.626 -1.413 1.00 0.00 C ATOM 1266 CG PHE A 82 4.407 -29.014 -2.356 1.00 0.00 C ATOM 1267 CD1 PHE A 82 3.190 -29.471 -1.872 1.00 0.00 C ATOM 1268 CD2 PHE A 82 4.584 -28.923 -3.728 1.00 0.00 C ATOM 1269 CE1 PHE A 82 2.174 -29.828 -2.739 1.00 0.00 C ATOM 1270 CE2 PHE A 82 3.570 -29.279 -4.597 1.00 0.00 C ATOM 1271 CZ PHE A 82 2.364 -29.732 -4.101 1.00 0.00 C ATOM 0 H PHE A 82 7.914 -29.230 0.111 1.00 0.00 H new ATOM 0 HA PHE A 82 5.139 -30.177 0.032 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.166 -27.805 -0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.355 -28.252 -1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.034 -29.549 -0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.525 -28.570 -4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.231 -30.182 -2.349 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.721 -29.203 -5.664 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.571 -30.011 -4.779 1.00 0.00 H new ATOM 1281 N SER A 83 6.191 -32.116 -1.092 1.00 0.00 N ATOM 1282 CA SER A 83 6.798 -33.278 -1.730 1.00 0.00 C ATOM 1283 C SER A 83 8.288 -33.359 -1.425 1.00 0.00 C ATOM 1284 O SER A 83 9.092 -33.698 -2.293 1.00 0.00 O ATOM 1285 CB SER A 83 6.583 -33.222 -3.230 1.00 0.00 C ATOM 1286 OG SER A 83 6.671 -34.499 -3.799 1.00 0.00 O ATOM 0 H SER A 83 5.456 -32.340 -0.422 1.00 0.00 H new ATOM 0 HA SER A 83 6.318 -34.170 -1.328 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.605 -32.791 -3.445 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.327 -32.566 -3.683 1.00 0.00 H new ATOM 0 HG SER A 83 7.103 -34.437 -4.676 1.00 0.00 H new ATOM 1292 N GLY A 84 8.651 -33.046 -0.186 1.00 0.00 N ATOM 1293 CA GLY A 84 10.036 -33.152 0.257 1.00 0.00 C ATOM 1294 C GLY A 84 10.875 -31.997 -0.276 1.00 0.00 C ATOM 1295 O GLY A 84 12.092 -32.113 -0.413 1.00 0.00 O ATOM 0 H GLY A 84 8.004 -32.716 0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.073 -33.159 1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.458 -34.098 -0.082 1.00 0.00 H new ATOM 1299 N ARG A 85 10.216 -30.883 -0.575 1.00 0.00 N ATOM 1300 CA ARG A 85 10.894 -29.716 -1.126 1.00 0.00 C ATOM 1301 C ARG A 85 10.371 -28.428 -0.503 1.00 0.00 C ATOM 1302 O ARG A 85 9.180 -28.128 -0.582 1.00 0.00 O ATOM 1303 CB ARG A 85 10.712 -29.655 -2.636 1.00 0.00 C ATOM 1304 CG ARG A 85 11.366 -30.792 -3.405 1.00 0.00 C ATOM 1305 CD ARG A 85 12.848 -30.697 -3.371 1.00 0.00 C ATOM 1306 NE ARG A 85 13.477 -31.734 -4.173 1.00 0.00 N ATOM 1307 CZ ARG A 85 13.754 -32.978 -3.735 1.00 0.00 C ATOM 1308 NH1 ARG A 85 13.452 -33.323 -2.503 1.00 0.00 N ATOM 1309 NH2 ARG A 85 14.328 -33.851 -4.544 1.00 0.00 N ATOM 0 H ARG A 85 9.211 -30.764 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 85 11.954 -29.813 -0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.645 -29.651 -2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.117 -28.710 -2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.053 -31.746 -2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.024 -30.776 -4.440 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.157 -29.718 -3.737 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.193 -30.776 -2.340 1.00 0.00 H new ATOM 0 HE ARG A 85 13.726 -31.504 -5.135 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.008 -32.649 -1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.661 -34.264 -2.171 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.562 -33.583 -5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.538 -34.793 -4.212 1.00 0.00 H new ATOM 1323 N ALA A 86 11.269 -27.671 0.119 1.00 0.00 N ATOM 1324 CA ALA A 86 10.920 -26.368 0.672 1.00 0.00 C ATOM 1325 C ALA A 86 10.664 -25.351 -0.432 1.00 0.00 C ATOM 1326 O ALA A 86 11.532 -25.094 -1.267 1.00 0.00 O ATOM 1327 CB ALA A 86 12.021 -25.875 1.600 1.00 0.00 C ATOM 0 H ALA A 86 12.244 -27.938 0.253 1.00 0.00 H new ATOM 0 HA ALA A 86 10.000 -26.482 1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.746 -24.901 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.153 -26.584 2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 86 12.954 -25.786 1.043 1.00 0.00 H new ATOM 1333 N LEU A 87 9.467 -24.774 -0.432 1.00 0.00 N ATOM 1334 CA LEU A 87 9.041 -23.892 -1.512 1.00 0.00 C ATOM 1335 C LEU A 87 9.715 -22.530 -1.409 1.00 0.00 C ATOM 1336 O LEU A 87 9.940 -22.020 -0.311 1.00 0.00 O ATOM 1337 CB LEU A 87 7.517 -23.719 -1.485 1.00 0.00 C ATOM 1338 CG LEU A 87 6.698 -24.990 -1.745 1.00 0.00 C ATOM 1339 CD1 LEU A 87 5.219 -24.691 -1.542 1.00 0.00 C ATOM 1340 CD2 LEU A 87 6.967 -25.488 -3.157 1.00 0.00 C ATOM 0 H LEU A 87 8.774 -24.902 0.305 1.00 0.00 H new ATOM 0 HA LEU A 87 9.337 -24.351 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.233 -23.318 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.241 -22.973 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 87 6.990 -25.772 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.637 -25.594 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.053 -24.355 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.907 -23.910 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.385 -26.391 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.681 -24.719 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.028 -25.711 -3.268 1.00 0.00 H new ATOM 1352 N ARG A 88 10.036 -21.946 -2.558 1.00 0.00 N ATOM 1353 CA ARG A 88 10.601 -20.602 -2.603 1.00 0.00 C ATOM 1354 C ARG A 88 9.570 -19.586 -3.076 1.00 0.00 C ATOM 1355 O ARG A 88 9.464 -19.303 -4.269 1.00 0.00 O ATOM 1356 CB ARG A 88 11.810 -20.561 -3.527 1.00 0.00 C ATOM 1357 CG ARG A 88 12.483 -19.202 -3.639 1.00 0.00 C ATOM 1358 CD ARG A 88 13.709 -19.264 -4.475 1.00 0.00 C ATOM 1359 NE ARG A 88 14.371 -17.972 -4.563 1.00 0.00 N ATOM 1360 CZ ARG A 88 14.195 -17.090 -5.566 1.00 0.00 C ATOM 1361 NH1 ARG A 88 13.377 -17.373 -6.555 1.00 0.00 N ATOM 1362 NH2 ARG A 88 14.845 -15.939 -5.554 1.00 0.00 N ATOM 0 H ARG A 88 9.915 -22.383 -3.472 1.00 0.00 H new ATOM 0 HA ARG A 88 10.910 -20.342 -1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.544 -21.286 -3.174 1.00 0.00 H new ATOM 0 HB3 ARG A 88 11.500 -20.880 -4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 88 11.785 -18.484 -4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.739 -18.839 -2.643 1.00 0.00 H new ATOM 0 HD2 ARG A 88 14.398 -19.997 -4.055 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.449 -19.608 -5.476 1.00 0.00 H new ATOM 0 HE ARG A 88 15.013 -17.716 -3.813 1.00 0.00 H new ATOM 0 HH11 ARG A 88 12.875 -18.261 -6.563 1.00 0.00 H new ATOM 0 HH12 ARG A 88 13.244 -16.705 -7.314 1.00 0.00 H new ATOM 0 HH21 ARG A 88 15.479 -15.719 -4.786 1.00 0.00 H new ATOM 0 HH22 ARG A 88 14.712 -15.271 -6.313 1.00 0.00 H new ATOM 1376 N VAL A 89 8.811 -19.039 -2.132 1.00 0.00 N ATOM 1377 CA VAL A 89 7.672 -18.190 -2.462 1.00 0.00 C ATOM 1378 C VAL A 89 7.899 -16.758 -1.994 1.00 0.00 C ATOM 1379 O VAL A 89 8.311 -16.524 -0.858 1.00 0.00 O ATOM 1380 CB VAL A 89 6.389 -18.742 -1.813 1.00 0.00 C ATOM 1381 CG1 VAL A 89 5.205 -17.837 -2.120 1.00 0.00 C ATOM 1382 CG2 VAL A 89 6.127 -20.158 -2.304 1.00 0.00 C ATOM 0 H VAL A 89 8.964 -19.169 -1.132 1.00 0.00 H new ATOM 0 HA VAL A 89 7.562 -18.189 -3.546 1.00 0.00 H new ATOM 0 HB VAL A 89 6.523 -18.768 -0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.307 -18.242 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.399 -16.839 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.060 -17.781 -3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.218 -20.541 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.007 -20.151 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.968 -20.797 -2.036 1.00 0.00 H new ATOM 1392 N ASP A 90 7.627 -15.803 -2.877 1.00 0.00 N ATOM 1393 CA ASP A 90 7.858 -14.395 -2.578 1.00 0.00 C ATOM 1394 C ASP A 90 6.852 -13.507 -3.297 1.00 0.00 C ATOM 1395 O ASP A 90 6.070 -13.980 -4.122 1.00 0.00 O ATOM 1396 CB ASP A 90 9.281 -13.989 -2.973 1.00 0.00 C ATOM 1397 CG ASP A 90 9.831 -12.855 -2.119 1.00 0.00 C ATOM 1398 OD1 ASP A 90 9.053 -12.186 -1.481 1.00 0.00 O ATOM 1399 OD2 ASP A 90 11.024 -12.667 -2.114 1.00 0.00 O ATOM 0 H ASP A 90 7.246 -15.979 -3.807 1.00 0.00 H new ATOM 0 HA ASP A 90 7.732 -14.260 -1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.938 -14.854 -2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.290 -13.686 -4.020 1.00 0.00 H new ATOM 1404 N ASN A 91 6.877 -12.217 -2.980 1.00 0.00 N ATOM 1405 CA ASN A 91 5.970 -11.258 -3.600 1.00 0.00 C ATOM 1406 C ASN A 91 6.496 -10.797 -4.953 1.00 0.00 C ATOM 1407 O ASN A 91 7.536 -10.143 -5.036 1.00 0.00 O ATOM 1408 CB ASN A 91 5.740 -10.070 -2.684 1.00 0.00 C ATOM 1409 CG ASN A 91 4.702 -9.122 -3.216 1.00 0.00 C ATOM 1410 OD1 ASN A 91 4.293 -9.218 -4.379 1.00 0.00 O ATOM 1411 ND2 ASN A 91 4.268 -8.206 -2.388 1.00 0.00 N ATOM 0 H ASN A 91 7.516 -11.811 -2.297 1.00 0.00 H new ATOM 0 HA ASN A 91 5.016 -11.759 -3.764 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.431 -10.428 -1.702 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.679 -9.535 -2.547 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.564 -7.534 -2.694 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.634 -8.164 -1.437 1.00 0.00 H new ATOM 1418 N ALA A 92 5.772 -11.142 -6.013 1.00 0.00 N ATOM 1419 CA ALA A 92 6.246 -10.912 -7.372 1.00 0.00 C ATOM 1420 C ALA A 92 6.034 -9.464 -7.792 1.00 0.00 C ATOM 1421 O ALA A 92 6.327 -9.087 -8.927 1.00 0.00 O ATOM 1422 CB ALA A 92 5.546 -11.852 -8.343 1.00 0.00 C ATOM 0 H ALA A 92 4.854 -11.582 -5.956 1.00 0.00 H new ATOM 0 HA ALA A 92 7.317 -11.115 -7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.910 -11.668 -9.354 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.755 -12.885 -8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.471 -11.677 -8.308 1.00 0.00 H new ATOM 1428 N ALA A 93 5.524 -8.654 -6.870 1.00 0.00 N ATOM 1429 CA ALA A 93 5.428 -7.215 -7.082 1.00 0.00 C ATOM 1430 C ALA A 93 6.802 -6.600 -7.317 1.00 0.00 C ATOM 1431 O ALA A 93 6.939 -5.628 -8.059 1.00 0.00 O ATOM 1432 CB ALA A 93 4.746 -6.549 -5.896 1.00 0.00 C ATOM 0 H ALA A 93 5.170 -8.971 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 93 4.826 -7.046 -7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.682 -5.475 -6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.743 -6.958 -5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.324 -6.737 -4.991 1.00 0.00 H new