USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 CYS SG : rot -118:sc= -17.5! USER MOD Set 1.2: A 64 CYS SG : rot -51:sc= -20.4! USER MOD Single : A 10 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00236) USER MOD Single : A 23 CYS SG : rot -26:sc= 0.612 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 150:sc= -0.7 USER MOD Single : A 32 TYR OH : rot 93:sc= 0.00802 USER MOD Single : A 33 ASN : amide:sc= -1.37! C(o=-1.4!,f=-5.9!) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.954 F(o=-2.6!,f=-0.95) USER MOD Single : A 35 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.48) USER MOD Single : A 36 THR OG1 : rot 140:sc= -0.367 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -7.37! C(o=-8.2!,f=-7.4!) USER MOD Single : A 51 MET CE :methyl -154:sc= -0.178 (180deg=-0.873) USER MOD Single : A 52 ASN : amide:sc= -4.93! C(o=-4.9!,f=-13!) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.57! C(o=-2.4!,f=-1.6!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.825 USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= -3.35 (180deg=-3.48) USER MOD Single : A 62 ASN : amide:sc= -0.35 K(o=-0.35,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 0.369 -15.913 -8.847 1.00 1.00 N ATOM 146 CA LYS A 10 -0.449 -16.860 -9.586 1.00 1.00 C ATOM 147 C LYS A 10 -0.183 -16.698 -11.084 1.00 1.00 C ATOM 148 O LYS A 10 0.346 -15.648 -11.478 1.00 1.00 O ATOM 149 CB LYS A 10 -1.922 -16.707 -9.203 1.00 1.00 C ATOM 150 CG LYS A 10 -2.503 -18.037 -8.718 1.00 1.00 C ATOM 151 CD LYS A 10 -3.918 -18.248 -9.262 1.00 1.00 C ATOM 152 CE LYS A 10 -4.954 -18.170 -8.139 1.00 1.00 C ATOM 153 NZ LYS A 10 -6.017 -17.212 -8.484 1.00 1.00 N ATOM 0 HA LYS A 10 -0.179 -17.883 -9.323 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -2.022 -15.955 -8.420 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -2.490 -16.350 -10.062 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -1.860 -18.857 -9.038 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -2.522 -18.054 -7.628 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -4.137 -17.493 -10.017 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -3.982 -19.219 -9.754 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -5.387 -19.155 -7.966 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -4.470 -17.867 -7.210 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -6.721 -17.184 -7.719 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -5.604 -16.266 -8.610 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -6.478 -17.509 -9.368 1.00 1.00 H new ATOM 167 N PRO A 11 -0.548 -17.722 -11.875 1.00 1.00 N ATOM 168 CA PRO A 11 -0.365 -17.727 -13.317 1.00 1.00 C ATOM 169 C PRO A 11 -1.321 -16.742 -13.994 1.00 1.00 C ATOM 170 O PRO A 11 -2.510 -17.068 -14.120 1.00 1.00 O ATOM 171 CB PRO A 11 -0.600 -19.168 -13.738 1.00 1.00 C ATOM 172 CG PRO A 11 -1.357 -19.819 -12.592 1.00 1.00 C ATOM 173 CD PRO A 11 -1.259 -18.899 -11.386 1.00 1.00 C ATOM 0 HA PRO A 11 0.629 -17.396 -13.617 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -1.175 -19.216 -14.663 1.00 1.00 H new ATOM 0 HB3 PRO A 11 0.344 -19.680 -13.923 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -2.400 -19.980 -12.866 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -0.934 -20.797 -12.362 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -2.247 -18.636 -11.007 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -0.720 -19.375 -10.567 1.00 1.00 H new ATOM 181 N ASP A 12 -0.791 -15.578 -14.408 1.00 1.00 N ATOM 182 CA ASP A 12 -1.591 -14.558 -15.066 1.00 1.00 C ATOM 183 C ASP A 12 -2.171 -15.128 -16.362 1.00 1.00 C ATOM 184 O ASP A 12 -3.265 -14.699 -16.758 1.00 1.00 O ATOM 185 CB ASP A 12 -0.742 -13.337 -15.424 1.00 1.00 C ATOM 186 CG ASP A 12 0.130 -13.499 -16.670 1.00 1.00 C ATOM 187 OD1 ASP A 12 1.264 -13.997 -16.596 1.00 1.00 O ATOM 188 OD2 ASP A 12 -0.405 -13.084 -17.768 1.00 1.00 O ATOM 0 H ASP A 12 0.192 -15.330 -14.293 1.00 1.00 H new ATOM 0 HA ASP A 12 -2.383 -14.257 -14.380 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -1.404 -12.483 -15.571 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -0.098 -13.100 -14.577 1.00 1.00 H new ATOM 193 N PHE A 13 -1.439 -16.067 -16.987 1.00 1.00 N ATOM 194 CA PHE A 13 -1.877 -16.688 -18.226 1.00 1.00 C ATOM 195 C PHE A 13 -3.269 -17.290 -18.024 1.00 1.00 C ATOM 196 O PHE A 13 -4.028 -17.360 -19.002 1.00 1.00 O ATOM 197 CB PHE A 13 -0.865 -17.775 -18.635 1.00 1.00 C ATOM 198 CG PHE A 13 -0.901 -19.032 -17.776 1.00 1.00 C ATOM 199 CD1 PHE A 13 -2.026 -19.889 -17.810 1.00 1.00 C ATOM 200 CD2 PHE A 13 0.190 -19.346 -16.933 1.00 1.00 C ATOM 201 CE1 PHE A 13 -2.058 -21.050 -17.009 1.00 1.00 C ATOM 202 CE2 PHE A 13 0.157 -20.507 -16.132 1.00 1.00 C ATOM 203 CZ PHE A 13 -0.966 -21.360 -16.170 1.00 1.00 C ATOM 0 H PHE A 13 -0.540 -16.406 -16.644 1.00 1.00 H new ATOM 0 HA PHE A 13 -1.931 -15.945 -19.021 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -1.051 -18.054 -19.672 1.00 1.00 H new ATOM 0 HB3 PHE A 13 0.139 -17.352 -18.594 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -2.863 -19.654 -18.451 1.00 1.00 H new ATOM 0 HD2 PHE A 13 1.051 -18.695 -16.902 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -2.919 -21.702 -17.038 1.00 1.00 H new ATOM 0 HE2 PHE A 13 0.992 -20.743 -15.489 1.00 1.00 H new ATOM 0 HZ PHE A 13 -0.990 -22.249 -15.558 1.00 1.00 H new ATOM 213 N CYS A 14 -3.572 -17.705 -16.782 1.00 1.00 N ATOM 214 CA CYS A 14 -4.860 -18.295 -16.459 1.00 1.00 C ATOM 215 C CYS A 14 -5.960 -17.251 -16.666 1.00 1.00 C ATOM 216 O CYS A 14 -7.043 -17.621 -17.142 1.00 1.00 O ATOM 217 CB CYS A 14 -4.869 -18.859 -15.037 1.00 1.00 C ATOM 218 SG CYS A 14 -3.993 -20.438 -14.838 1.00 1.00 S ATOM 0 H CYS A 14 -2.932 -17.638 -15.990 1.00 1.00 H new ATOM 0 HA CYS A 14 -5.049 -19.135 -17.127 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -4.422 -18.125 -14.367 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -5.904 -18.991 -14.720 1.00 1.00 H new ATOM 0 HG CYS A 14 -4.830 -21.352 -14.447 1.00 1.00 H new ATOM 224 N PHE A 15 -5.665 -15.988 -16.310 1.00 1.00 N ATOM 225 CA PHE A 15 -6.622 -14.904 -16.455 1.00 1.00 C ATOM 226 C PHE A 15 -6.543 -14.347 -17.878 1.00 1.00 C ATOM 227 O PHE A 15 -7.179 -13.317 -18.145 1.00 1.00 O ATOM 228 CB PHE A 15 -6.307 -13.806 -15.420 1.00 1.00 C ATOM 229 CG PHE A 15 -5.981 -14.323 -14.026 1.00 1.00 C ATOM 230 CD1 PHE A 15 -6.887 -15.173 -13.348 1.00 1.00 C ATOM 231 CD2 PHE A 15 -4.770 -13.951 -13.397 1.00 1.00 C ATOM 232 CE1 PHE A 15 -6.583 -15.646 -12.054 1.00 1.00 C ATOM 233 CE2 PHE A 15 -4.467 -14.425 -12.103 1.00 1.00 C ATOM 234 CZ PHE A 15 -5.373 -15.273 -11.432 1.00 1.00 C ATOM 0 H PHE A 15 -4.766 -15.704 -15.920 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.634 -15.270 -16.279 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -5.464 -13.216 -15.781 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -7.162 -13.133 -15.353 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.814 -15.460 -13.822 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -4.075 -13.302 -13.909 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -7.277 -16.294 -11.539 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -3.541 -14.139 -11.626 1.00 1.00 H new ATOM 0 HZ PHE A 15 -5.140 -15.637 -10.442 1.00 1.00 H new ATOM 244 N LEU A 16 -5.777 -15.028 -18.749 1.00 1.00 N ATOM 245 CA LEU A 16 -5.618 -14.604 -20.130 1.00 1.00 C ATOM 246 C LEU A 16 -6.835 -15.054 -20.940 1.00 1.00 C ATOM 247 O LEU A 16 -7.149 -16.254 -20.916 1.00 1.00 O ATOM 248 CB LEU A 16 -4.286 -15.102 -20.694 1.00 1.00 C ATOM 249 CG LEU A 16 -3.685 -14.271 -21.830 1.00 1.00 C ATOM 250 CD1 LEU A 16 -4.022 -14.881 -23.192 1.00 1.00 C ATOM 251 CD2 LEU A 16 -4.126 -12.809 -21.732 1.00 1.00 C ATOM 0 H LEU A 16 -5.262 -15.875 -18.509 1.00 1.00 H new ATOM 0 HA LEU A 16 -5.577 -13.517 -20.192 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -3.563 -15.144 -19.880 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -4.424 -16.123 -21.051 1.00 1.00 H new ATOM 0 HG LEU A 16 -2.600 -14.288 -21.729 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -3.583 -14.272 -23.982 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -3.619 -15.892 -23.248 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -5.104 -14.914 -23.318 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -3.685 -12.240 -22.551 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -5.213 -12.752 -21.794 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -3.795 -12.392 -20.781 1.00 1.00 H new ATOM 263 N GLU A 17 -7.486 -14.101 -21.631 1.00 1.00 N ATOM 264 CA GLU A 17 -8.656 -14.398 -22.439 1.00 1.00 C ATOM 265 C GLU A 17 -8.416 -15.692 -23.220 1.00 1.00 C ATOM 266 O GLU A 17 -7.289 -15.892 -23.697 1.00 1.00 O ATOM 267 CB GLU A 17 -8.995 -13.243 -23.383 1.00 1.00 C ATOM 268 CG GLU A 17 -7.729 -12.503 -23.822 1.00 1.00 C ATOM 269 CD GLU A 17 -7.950 -11.780 -25.151 1.00 1.00 C ATOM 270 OE1 GLU A 17 -8.989 -11.016 -25.190 1.00 1.00 O ATOM 271 OE2 GLU A 17 -7.158 -11.951 -26.090 1.00 1.00 O ATOM 0 H GLU A 17 -7.211 -13.119 -21.638 1.00 1.00 H new ATOM 0 HA GLU A 17 -9.513 -14.530 -21.778 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -9.519 -13.626 -24.259 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -9.672 -12.549 -22.885 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -7.440 -11.783 -23.056 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -6.906 -13.211 -23.921 1.00 1.00 H new ATOM 278 N GLU A 18 -9.461 -16.530 -23.333 1.00 1.00 N ATOM 279 CA GLU A 18 -9.364 -17.790 -24.050 1.00 1.00 C ATOM 280 C GLU A 18 -9.115 -17.511 -25.533 1.00 1.00 C ATOM 281 O GLU A 18 -9.652 -16.517 -26.045 1.00 1.00 O ATOM 282 CB GLU A 18 -10.618 -18.645 -23.856 1.00 1.00 C ATOM 283 CG GLU A 18 -11.674 -18.318 -24.914 1.00 1.00 C ATOM 284 CD GLU A 18 -13.086 -18.479 -24.348 1.00 1.00 C ATOM 285 OE1 GLU A 18 -13.291 -19.576 -23.701 1.00 1.00 O ATOM 286 OE2 GLU A 18 -13.932 -17.591 -24.530 1.00 1.00 O ATOM 0 H GLU A 18 -10.381 -16.346 -22.932 1.00 1.00 H new ATOM 0 HA GLU A 18 -8.526 -18.358 -23.646 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -10.355 -19.701 -23.914 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -11.029 -18.473 -22.861 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -11.535 -17.297 -25.268 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -11.547 -18.974 -25.775 1.00 1.00 H new ATOM 293 N ASP A 19 -8.318 -18.378 -26.184 1.00 1.00 N ATOM 294 CA ASP A 19 -8.003 -18.225 -27.594 1.00 1.00 C ATOM 295 C ASP A 19 -7.926 -19.606 -28.248 1.00 1.00 C ATOM 296 O ASP A 19 -6.940 -20.317 -28.008 1.00 1.00 O ATOM 297 CB ASP A 19 -6.651 -17.535 -27.785 1.00 1.00 C ATOM 298 CG ASP A 19 -6.491 -16.779 -29.105 1.00 1.00 C ATOM 299 OD1 ASP A 19 -7.193 -17.056 -30.089 1.00 1.00 O ATOM 300 OD2 ASP A 19 -5.587 -15.858 -29.101 1.00 1.00 O ATOM 0 H ASP A 19 -7.885 -19.190 -25.744 1.00 1.00 H new ATOM 0 HA ASP A 19 -8.785 -17.618 -28.050 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -6.497 -16.836 -26.963 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -5.864 -18.286 -27.716 1.00 1.00 H new ATOM 305 N PRO A 20 -8.951 -19.951 -29.047 1.00 1.00 N ATOM 306 CA PRO A 20 -9.032 -21.225 -29.743 1.00 1.00 C ATOM 307 C PRO A 20 -8.149 -21.224 -30.992 1.00 1.00 C ATOM 308 O PRO A 20 -7.955 -22.299 -31.577 1.00 1.00 O ATOM 309 CB PRO A 20 -10.507 -21.408 -30.058 1.00 1.00 C ATOM 310 CG PRO A 20 -11.132 -20.027 -29.944 1.00 1.00 C ATOM 311 CD PRO A 20 -10.137 -19.122 -29.237 1.00 1.00 C ATOM 0 HA PRO A 20 -8.661 -22.056 -29.144 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -10.645 -21.818 -31.059 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -10.972 -22.106 -29.361 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -11.371 -19.633 -30.932 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -12.067 -20.076 -29.386 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -9.911 -18.239 -29.835 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -10.531 -18.770 -28.284 1.00 1.00 H new ATOM 319 N GLY A 21 -7.640 -20.037 -31.369 1.00 1.00 N ATOM 320 CA GLY A 21 -6.787 -19.902 -32.538 1.00 1.00 C ATOM 321 C GLY A 21 -7.652 -19.916 -33.800 1.00 1.00 C ATOM 322 O GLY A 21 -8.881 -20.015 -33.671 1.00 1.00 O ATOM 0 H GLY A 21 -7.812 -19.163 -30.872 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -6.219 -18.973 -32.483 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -6.063 -20.716 -32.570 1.00 1.00 H new ATOM 326 N ILE A 22 -7.005 -19.817 -34.975 1.00 1.00 N ATOM 327 CA ILE A 22 -7.710 -19.819 -36.245 1.00 1.00 C ATOM 328 C ILE A 22 -7.851 -21.258 -36.743 1.00 1.00 C ATOM 329 O ILE A 22 -8.905 -21.586 -37.308 1.00 1.00 O ATOM 330 CB ILE A 22 -7.018 -18.888 -37.243 1.00 1.00 C ATOM 331 CG1 ILE A 22 -6.082 -17.913 -36.525 1.00 1.00 C ATOM 332 CG2 ILE A 22 -8.043 -18.161 -38.116 1.00 1.00 C ATOM 333 CD1 ILE A 22 -5.829 -16.668 -37.378 1.00 1.00 C ATOM 0 H ILE A 22 -5.992 -19.735 -35.059 1.00 1.00 H new ATOM 0 HA ILE A 22 -8.718 -19.424 -36.122 1.00 1.00 H new ATOM 0 HB ILE A 22 -6.403 -19.495 -37.907 1.00 1.00 H new ATOM 0 HG12 ILE A 22 -6.518 -17.621 -35.570 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -5.135 -18.407 -36.306 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -7.525 -17.506 -38.816 1.00 1.00 H new ATOM 0 HG22 ILE A 22 -8.632 -18.892 -38.670 1.00 1.00 H new ATOM 0 HG23 ILE A 22 -8.703 -17.567 -37.484 1.00 1.00 H new ATOM 0 HD11 ILE A 22 -5.161 -15.991 -36.845 1.00 1.00 H new ATOM 0 HD12 ILE A 22 -5.371 -16.961 -38.323 1.00 1.00 H new ATOM 0 HD13 ILE A 22 -6.775 -16.163 -37.575 1.00 1.00 H new ATOM 345 N CYS A 23 -6.804 -22.075 -36.529 1.00 1.00 N ATOM 346 CA CYS A 23 -6.813 -23.465 -36.953 1.00 1.00 C ATOM 347 C CYS A 23 -7.903 -24.220 -36.191 1.00 1.00 C ATOM 348 O CYS A 23 -7.666 -24.587 -35.031 1.00 1.00 O ATOM 349 CB CYS A 23 -5.437 -24.107 -36.766 1.00 1.00 C ATOM 350 SG CYS A 23 -5.472 -25.867 -36.316 1.00 1.00 S ATOM 0 H CYS A 23 -5.944 -21.785 -36.063 1.00 1.00 H new ATOM 0 HA CYS A 23 -7.038 -23.515 -38.018 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -4.870 -23.994 -37.690 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -4.898 -23.559 -35.993 1.00 1.00 H new ATOM 0 HG CYS A 23 -6.588 -26.137 -35.706 1.00 1.00 H new ATOM 356 N ARG A 24 -9.059 -24.433 -36.846 1.00 1.00 N ATOM 357 CA ARG A 24 -10.172 -25.138 -36.234 1.00 1.00 C ATOM 358 C ARG A 24 -9.657 -26.413 -35.563 1.00 1.00 C ATOM 359 O ARG A 24 -8.469 -26.727 -35.728 1.00 1.00 O ATOM 360 CB ARG A 24 -11.240 -25.508 -37.265 1.00 1.00 C ATOM 361 CG ARG A 24 -10.603 -26.078 -38.534 1.00 1.00 C ATOM 362 CD ARG A 24 -10.777 -25.119 -39.713 1.00 1.00 C ATOM 363 NE ARG A 24 -10.389 -25.791 -40.973 1.00 1.00 N ATOM 364 CZ ARG A 24 -9.112 -25.965 -41.376 1.00 1.00 C ATOM 365 NH1 ARG A 24 -8.118 -25.509 -40.602 1.00 1.00 N ATOM 366 NH2 ARG A 24 -8.842 -26.585 -42.533 1.00 1.00 N ATOM 0 H ARG A 24 -9.235 -24.121 -37.801 1.00 1.00 H new ATOM 0 HA ARG A 24 -10.626 -24.476 -35.497 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -11.925 -26.240 -36.837 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -11.830 -24.626 -37.515 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -9.542 -26.260 -38.362 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -11.057 -27.040 -38.773 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -11.813 -24.787 -39.772 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -10.165 -24.229 -39.562 1.00 1.00 H new ATOM 0 HE ARG A 24 -11.133 -26.145 -41.575 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -8.331 -25.038 -39.723 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -7.148 -25.633 -40.892 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -9.604 -26.930 -43.117 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -7.874 -26.712 -42.830 1.00 1.00 H new ATOM 380 N GLY A 25 -10.545 -27.110 -34.833 1.00 1.00 N ATOM 381 CA GLY A 25 -10.182 -28.338 -34.146 1.00 1.00 C ATOM 382 C GLY A 25 -11.236 -28.653 -33.082 1.00 1.00 C ATOM 383 O GLY A 25 -11.954 -29.651 -33.241 1.00 1.00 O ATOM 0 H GLY A 25 -11.519 -26.834 -34.710 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -10.111 -29.160 -34.859 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -9.201 -28.233 -33.683 1.00 1.00 H new ATOM 387 N TYR A 26 -11.307 -27.810 -32.036 1.00 1.00 N ATOM 388 CA TYR A 26 -12.284 -28.057 -30.989 1.00 1.00 C ATOM 389 C TYR A 26 -11.939 -29.364 -30.273 1.00 1.00 C ATOM 390 O TYR A 26 -11.942 -30.411 -30.938 1.00 1.00 O ATOM 391 CB TYR A 26 -13.699 -28.090 -31.594 1.00 1.00 C ATOM 392 CG TYR A 26 -14.064 -26.862 -32.417 1.00 1.00 C ATOM 393 CD1 TYR A 26 -13.200 -25.742 -32.436 1.00 1.00 C ATOM 394 CD2 TYR A 26 -15.260 -26.833 -33.169 1.00 1.00 C ATOM 395 CE1 TYR A 26 -13.532 -24.603 -33.199 1.00 1.00 C ATOM 396 CE2 TYR A 26 -15.592 -25.694 -33.933 1.00 1.00 C ATOM 397 CZ TYR A 26 -14.728 -24.577 -33.948 1.00 1.00 C ATOM 398 OH TYR A 26 -15.046 -23.471 -34.684 1.00 1.00 O ATOM 0 H TYR A 26 -10.720 -26.986 -31.904 1.00 1.00 H new ATOM 0 HA TYR A 26 -12.260 -27.253 -30.254 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -13.790 -28.974 -32.225 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -14.423 -28.199 -30.786 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -12.284 -25.759 -31.865 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -15.923 -27.686 -33.159 1.00 1.00 H new ATOM 0 HE1 TYR A 26 -12.870 -23.750 -33.210 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -16.507 -25.676 -34.506 1.00 1.00 H new ATOM 0 HH TYR A 26 -15.901 -23.617 -35.141 1.00 1.00 H new ATOM 408 N ILE A 27 -11.646 -29.283 -28.963 1.00 1.00 N ATOM 409 CA ILE A 27 -11.292 -30.455 -28.180 1.00 1.00 C ATOM 410 C ILE A 27 -11.870 -30.313 -26.770 1.00 1.00 C ATOM 411 O ILE A 27 -11.359 -30.974 -25.854 1.00 1.00 O ATOM 412 CB ILE A 27 -9.779 -30.680 -28.205 1.00 1.00 C ATOM 413 CG1 ILE A 27 -9.208 -30.408 -29.598 1.00 1.00 C ATOM 414 CG2 ILE A 27 -9.425 -32.081 -27.703 1.00 1.00 C ATOM 415 CD1 ILE A 27 -7.677 -30.415 -29.573 1.00 1.00 C ATOM 0 H ILE A 27 -11.651 -28.411 -28.434 1.00 1.00 H new ATOM 0 HA ILE A 27 -11.731 -31.352 -28.617 1.00 1.00 H new ATOM 0 HB ILE A 27 -9.316 -29.968 -27.523 1.00 1.00 H new ATOM 0 HG12 ILE A 27 -9.568 -31.164 -30.296 1.00 1.00 H new ATOM 0 HG13 ILE A 27 -9.565 -29.444 -29.960 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -8.344 -32.215 -27.731 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -9.779 -32.201 -26.679 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -9.900 -32.827 -28.341 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -7.296 -30.219 -30.575 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -7.321 -29.642 -28.892 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -7.323 -31.389 -29.234 1.00 1.00 H new ATOM 427 N THR A 28 -12.906 -29.468 -26.626 1.00 1.00 N ATOM 428 CA THR A 28 -13.544 -29.244 -25.339 1.00 1.00 C ATOM 429 C THR A 28 -12.469 -29.008 -24.276 1.00 1.00 C ATOM 430 O THR A 28 -12.293 -29.880 -23.412 1.00 1.00 O ATOM 431 CB THR A 28 -14.453 -30.435 -25.031 1.00 1.00 C ATOM 432 OG1 THR A 28 -15.458 -30.375 -26.039 1.00 1.00 O ATOM 433 CG2 THR A 28 -15.226 -30.259 -23.723 1.00 1.00 C ATOM 0 H THR A 28 -13.312 -28.933 -27.394 1.00 1.00 H new ATOM 0 HA THR A 28 -14.171 -28.352 -25.351 1.00 1.00 H new ATOM 0 HB THR A 28 -13.854 -31.344 -24.979 1.00 1.00 H new ATOM 0 HG1 THR A 28 -16.090 -31.114 -25.915 1.00 1.00 H new ATOM 0 HG21 THR A 28 -15.856 -31.132 -23.552 1.00 1.00 H new ATOM 0 HG22 THR A 28 -14.523 -30.151 -22.897 1.00 1.00 H new ATOM 0 HG23 THR A 28 -15.851 -29.368 -23.787 1.00 1.00 H new ATOM 441 N ARG A 29 -11.783 -27.854 -24.358 1.00 1.00 N ATOM 442 CA ARG A 29 -10.737 -27.511 -23.410 1.00 1.00 C ATOM 443 C ARG A 29 -11.313 -26.588 -22.334 1.00 1.00 C ATOM 444 O ARG A 29 -12.463 -26.150 -22.487 1.00 1.00 O ATOM 445 CB ARG A 29 -9.562 -26.812 -24.096 1.00 1.00 C ATOM 446 CG ARG A 29 -8.883 -27.742 -25.104 1.00 1.00 C ATOM 447 CD ARG A 29 -8.329 -28.989 -24.412 1.00 1.00 C ATOM 448 NE ARG A 29 -7.596 -29.827 -25.388 1.00 1.00 N ATOM 449 CZ ARG A 29 -7.384 -31.152 -25.239 1.00 1.00 C ATOM 450 NH1 ARG A 29 -7.857 -31.767 -24.147 1.00 1.00 N ATOM 451 NH2 ARG A 29 -6.710 -31.841 -26.170 1.00 1.00 N ATOM 0 H ARG A 29 -11.944 -27.149 -25.077 1.00 1.00 H new ATOM 0 HA ARG A 29 -10.369 -28.435 -22.964 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -9.915 -25.914 -24.604 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -8.838 -26.491 -23.347 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -9.598 -28.036 -25.873 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -8.075 -27.211 -25.607 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -7.664 -28.698 -23.598 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -9.144 -29.561 -23.969 1.00 1.00 H new ATOM 0 HE ARG A 29 -7.228 -29.375 -26.225 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -8.369 -31.235 -23.443 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -7.705 -32.768 -24.019 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -6.353 -31.365 -26.998 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -6.554 -32.842 -26.050 1.00 1.00 H new ATOM 465 N TYR A 30 -10.516 -26.314 -21.286 1.00 1.00 N ATOM 466 CA TYR A 30 -11.006 -25.447 -20.228 1.00 1.00 C ATOM 467 C TYR A 30 -10.049 -24.266 -20.058 1.00 1.00 C ATOM 468 O TYR A 30 -8.909 -24.366 -20.536 1.00 1.00 O ATOM 469 CB TYR A 30 -11.161 -26.251 -18.924 1.00 1.00 C ATOM 470 CG TYR A 30 -12.063 -27.472 -19.038 1.00 1.00 C ATOM 471 CD1 TYR A 30 -11.700 -28.555 -19.872 1.00 1.00 C ATOM 472 CD2 TYR A 30 -13.276 -27.525 -18.314 1.00 1.00 C ATOM 473 CE1 TYR A 30 -12.541 -29.683 -19.977 1.00 1.00 C ATOM 474 CE2 TYR A 30 -14.117 -28.653 -18.419 1.00 1.00 C ATOM 475 CZ TYR A 30 -13.751 -29.734 -19.250 1.00 1.00 C ATOM 476 OH TYR A 30 -14.567 -30.824 -19.348 1.00 1.00 O ATOM 0 H TYR A 30 -9.568 -26.669 -21.160 1.00 1.00 H new ATOM 0 HA TYR A 30 -11.988 -25.052 -20.490 1.00 1.00 H new ATOM 0 HB2 TYR A 30 -10.174 -26.574 -18.592 1.00 1.00 H new ATOM 0 HB3 TYR A 30 -11.558 -25.593 -18.151 1.00 1.00 H new ATOM 0 HD1 TYR A 30 -10.776 -28.518 -20.430 1.00 1.00 H new ATOM 0 HD2 TYR A 30 -13.560 -26.699 -17.678 1.00 1.00 H new ATOM 0 HE1 TYR A 30 -12.259 -30.508 -20.614 1.00 1.00 H new ATOM 0 HE2 TYR A 30 -15.042 -28.690 -17.863 1.00 1.00 H new ATOM 0 HH TYR A 30 -15.055 -30.944 -18.507 1.00 1.00 H new ATOM 486 N PHE A 31 -10.520 -23.188 -19.406 1.00 1.00 N ATOM 487 CA PHE A 31 -9.708 -22.002 -19.193 1.00 1.00 C ATOM 488 C PHE A 31 -10.264 -21.215 -18.004 1.00 1.00 C ATOM 489 O PHE A 31 -11.488 -21.229 -17.809 1.00 1.00 O ATOM 490 CB PHE A 31 -9.721 -21.141 -20.472 1.00 1.00 C ATOM 491 CG PHE A 31 -11.000 -20.343 -20.687 1.00 1.00 C ATOM 492 CD1 PHE A 31 -12.213 -21.012 -20.971 1.00 1.00 C ATOM 493 CD2 PHE A 31 -10.986 -18.932 -20.597 1.00 1.00 C ATOM 494 CE1 PHE A 31 -13.401 -20.276 -21.167 1.00 1.00 C ATOM 495 CE2 PHE A 31 -12.174 -18.196 -20.793 1.00 1.00 C ATOM 496 CZ PHE A 31 -13.382 -18.868 -21.079 1.00 1.00 C ATOM 0 H PHE A 31 -11.462 -23.125 -19.021 1.00 1.00 H new ATOM 0 HA PHE A 31 -8.679 -22.286 -18.973 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -8.879 -20.450 -20.437 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -9.565 -21.791 -21.333 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -12.230 -22.090 -21.038 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -10.063 -18.416 -20.378 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -14.325 -20.791 -21.384 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -12.159 -17.118 -20.724 1.00 1.00 H new ATOM 0 HZ PHE A 31 -14.291 -18.305 -21.230 1.00 1.00 H new ATOM 506 N TYR A 32 -9.369 -20.557 -17.246 1.00 1.00 N ATOM 507 CA TYR A 32 -9.833 -19.795 -16.099 1.00 1.00 C ATOM 508 C TYR A 32 -10.403 -18.458 -16.577 1.00 1.00 C ATOM 509 O TYR A 32 -9.612 -17.527 -16.783 1.00 1.00 O ATOM 510 CB TYR A 32 -8.677 -19.601 -15.100 1.00 1.00 C ATOM 511 CG TYR A 32 -9.107 -19.114 -13.723 1.00 1.00 C ATOM 512 CD1 TYR A 32 -9.310 -17.734 -13.493 1.00 1.00 C ATOM 513 CD2 TYR A 32 -9.313 -20.035 -12.670 1.00 1.00 C ATOM 514 CE1 TYR A 32 -9.712 -17.278 -12.219 1.00 1.00 C ATOM 515 CE2 TYR A 32 -9.715 -19.579 -11.397 1.00 1.00 C ATOM 516 CZ TYR A 32 -9.914 -18.200 -11.170 1.00 1.00 C ATOM 517 OH TYR A 32 -10.302 -17.754 -9.938 1.00 1.00 O ATOM 0 H TYR A 32 -8.362 -20.542 -17.406 1.00 1.00 H new ATOM 0 HA TYR A 32 -10.627 -20.336 -15.583 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -8.148 -20.547 -14.988 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -7.968 -18.887 -15.519 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -9.157 -17.026 -14.294 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -9.162 -21.091 -12.841 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -9.865 -16.223 -12.047 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -9.871 -20.286 -10.595 1.00 1.00 H new ATOM 0 HH TYR A 32 -11.279 -17.785 -9.872 1.00 1.00 H new ATOM 527 N ASN A 33 -11.736 -18.391 -16.751 1.00 1.00 N ATOM 528 CA ASN A 33 -12.392 -17.180 -17.212 1.00 1.00 C ATOM 529 C ASN A 33 -12.662 -16.264 -16.016 1.00 1.00 C ATOM 530 O ASN A 33 -13.312 -16.716 -15.062 1.00 1.00 O ATOM 531 CB ASN A 33 -13.733 -17.498 -17.875 1.00 1.00 C ATOM 532 CG ASN A 33 -14.177 -16.355 -18.792 1.00 1.00 C ATOM 533 OD1 ASN A 33 -13.693 -15.238 -18.712 1.00 1.00 O ATOM 534 ND2 ASN A 33 -15.121 -16.697 -19.663 1.00 1.00 N ATOM 0 H ASN A 33 -12.370 -19.170 -16.575 1.00 1.00 H new ATOM 0 HA ASN A 33 -11.737 -16.697 -17.937 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -13.648 -18.419 -18.451 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -14.490 -17.669 -17.109 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -15.484 -16.006 -20.319 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -15.482 -17.651 -19.676 1.00 1.00 H new ATOM 541 N ASN A 34 -12.166 -15.016 -16.089 1.00 1.00 N ATOM 542 CA ASN A 34 -12.352 -14.049 -15.021 1.00 1.00 C ATOM 543 C ASN A 34 -13.826 -13.643 -14.957 1.00 1.00 C ATOM 544 O ASN A 34 -14.274 -13.213 -13.884 1.00 1.00 O ATOM 545 CB ASN A 34 -11.524 -12.787 -15.269 1.00 1.00 C ATOM 546 CG ASN A 34 -11.738 -11.762 -14.153 1.00 1.00 C ATOM 547 OD1 ASN A 34 -12.875 -11.081 -14.255 1.00 1.00 O flip ATOM 548 ND2 ASN A 34 -10.924 -11.602 -13.258 1.00 1.00 N flip ATOM 0 H ASN A 34 -11.633 -14.664 -16.884 1.00 1.00 H new ATOM 0 HA ASN A 34 -12.031 -14.512 -14.088 1.00 1.00 H new ATOM 0 HB2 ASN A 34 -10.467 -13.047 -15.331 1.00 1.00 H new ATOM 0 HB3 ASN A 34 -11.801 -12.349 -16.228 1.00 1.00 H new ATOM 0 HD21 ASN A 34 -10.070 -12.159 -13.240 1.00 1.00 H new ATOM 0 HD22 ASN A 34 -11.098 -10.911 -12.528 1.00 1.00 H new ATOM 555 N GLN A 35 -14.539 -13.786 -16.089 1.00 1.00 N ATOM 556 CA GLN A 35 -15.947 -13.436 -16.161 1.00 1.00 C ATOM 557 C GLN A 35 -16.707 -14.166 -15.051 1.00 1.00 C ATOM 558 O GLN A 35 -17.688 -13.606 -14.541 1.00 1.00 O ATOM 559 CB GLN A 35 -16.537 -13.761 -17.535 1.00 1.00 C ATOM 560 CG GLN A 35 -17.495 -12.661 -17.995 1.00 1.00 C ATOM 561 CD GLN A 35 -16.763 -11.326 -18.149 1.00 1.00 C ATOM 562 OE1 GLN A 35 -16.924 -10.406 -17.365 1.00 1.00 O ATOM 563 NE2 GLN A 35 -15.953 -11.273 -19.203 1.00 1.00 N ATOM 0 H GLN A 35 -14.151 -14.143 -16.962 1.00 1.00 H new ATOM 0 HA GLN A 35 -16.048 -12.360 -16.019 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -15.733 -13.875 -18.262 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -17.065 -14.713 -17.492 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -17.949 -12.943 -18.945 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -18.305 -12.555 -17.274 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -15.865 -12.081 -19.820 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -15.420 -10.425 -19.394 1.00 1.00 H new ATOM 572 N THR A 36 -16.246 -15.381 -14.705 1.00 1.00 N ATOM 573 CA THR A 36 -16.878 -16.177 -13.666 1.00 1.00 C ATOM 574 C THR A 36 -15.827 -16.585 -12.632 1.00 1.00 C ATOM 575 O THR A 36 -16.078 -17.538 -11.880 1.00 1.00 O ATOM 576 CB THR A 36 -17.581 -17.367 -14.321 1.00 1.00 C ATOM 577 OG1 THR A 36 -16.522 -18.106 -14.925 1.00 1.00 O ATOM 578 CG2 THR A 36 -18.463 -16.951 -15.500 1.00 1.00 C ATOM 0 H THR A 36 -15.435 -15.824 -15.137 1.00 1.00 H new ATOM 0 HA THR A 36 -17.637 -15.607 -13.130 1.00 1.00 H new ATOM 0 HB THR A 36 -18.189 -17.883 -13.578 1.00 1.00 H new ATOM 0 HG1 THR A 36 -16.680 -19.065 -14.800 1.00 1.00 H new ATOM 0 HG21 THR A 36 -18.938 -17.834 -15.928 1.00 1.00 H new ATOM 0 HG22 THR A 36 -19.230 -16.258 -15.154 1.00 1.00 H new ATOM 0 HG23 THR A 36 -17.850 -16.465 -16.259 1.00 1.00 H new ATOM 586 N LYS A 37 -14.688 -15.869 -12.616 1.00 1.00 N ATOM 587 CA LYS A 37 -13.612 -16.155 -11.683 1.00 1.00 C ATOM 588 C LYS A 37 -13.547 -17.663 -11.433 1.00 1.00 C ATOM 589 O LYS A 37 -13.585 -18.070 -10.263 1.00 1.00 O ATOM 590 CB LYS A 37 -13.775 -15.327 -10.407 1.00 1.00 C ATOM 591 CG LYS A 37 -13.641 -13.832 -10.702 1.00 1.00 C ATOM 592 CD LYS A 37 -14.961 -13.102 -10.445 1.00 1.00 C ATOM 593 CE LYS A 37 -15.287 -13.070 -8.950 1.00 1.00 C ATOM 594 NZ LYS A 37 -15.333 -11.682 -8.463 1.00 1.00 N ATOM 0 H LYS A 37 -14.500 -15.088 -13.245 1.00 1.00 H new ATOM 0 HA LYS A 37 -12.652 -15.860 -12.107 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -14.749 -15.527 -9.961 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -13.023 -15.626 -9.677 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -12.857 -13.403 -10.078 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -13.338 -13.688 -11.739 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -14.899 -12.084 -10.829 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -15.767 -13.598 -10.986 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -16.245 -13.557 -8.770 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -14.535 -13.632 -8.396 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -15.555 -11.678 -7.447 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -14.410 -11.229 -8.617 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -16.067 -11.157 -8.980 1.00 1.00 H new ATOM 608 N GLN A 38 -13.451 -18.450 -12.520 1.00 1.00 N ATOM 609 CA GLN A 38 -13.382 -19.898 -12.419 1.00 1.00 C ATOM 610 C GLN A 38 -13.055 -20.486 -13.793 1.00 1.00 C ATOM 611 O GLN A 38 -12.944 -19.711 -14.755 1.00 1.00 O ATOM 612 CB GLN A 38 -14.682 -20.486 -11.867 1.00 1.00 C ATOM 613 CG GLN A 38 -14.396 -21.587 -10.844 1.00 1.00 C ATOM 614 CD GLN A 38 -15.206 -21.370 -9.564 1.00 1.00 C ATOM 615 OE1 GLN A 38 -16.303 -21.878 -9.400 1.00 1.00 O ATOM 616 NE2 GLN A 38 -14.606 -20.590 -8.670 1.00 1.00 N ATOM 0 H GLN A 38 -13.420 -18.095 -13.476 1.00 1.00 H new ATOM 0 HA GLN A 38 -12.591 -20.162 -11.717 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -15.273 -19.697 -11.402 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -15.278 -20.891 -12.685 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -14.640 -22.559 -11.273 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -13.332 -21.601 -10.607 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -13.687 -20.197 -8.872 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -15.065 -20.385 -7.783 1.00 1.00 H new ATOM 625 N CYS A 39 -12.909 -21.821 -13.858 1.00 1.00 N ATOM 626 CA CYS A 39 -12.597 -22.503 -15.103 1.00 1.00 C ATOM 627 C CYS A 39 -13.884 -22.699 -15.907 1.00 1.00 C ATOM 628 O CYS A 39 -14.888 -23.126 -15.319 1.00 1.00 O ATOM 629 CB CYS A 39 -11.880 -23.828 -14.842 1.00 1.00 C ATOM 630 SG CYS A 39 -10.156 -23.666 -14.291 1.00 1.00 S ATOM 0 H CYS A 39 -13.005 -22.441 -13.054 1.00 1.00 H new ATOM 0 HA CYS A 39 -11.912 -21.890 -15.689 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -12.437 -24.384 -14.088 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -11.900 -24.422 -15.756 1.00 1.00 H new ATOM 636 N GLU A 40 -13.830 -22.388 -17.215 1.00 1.00 N ATOM 637 CA GLU A 40 -14.983 -22.529 -18.088 1.00 1.00 C ATOM 638 C GLU A 40 -14.611 -23.418 -19.277 1.00 1.00 C ATOM 639 O GLU A 40 -13.459 -23.345 -19.730 1.00 1.00 O ATOM 640 CB GLU A 40 -15.500 -21.169 -18.561 1.00 1.00 C ATOM 641 CG GLU A 40 -15.630 -20.194 -17.389 1.00 1.00 C ATOM 642 CD GLU A 40 -16.802 -19.234 -17.603 1.00 1.00 C ATOM 643 OE1 GLU A 40 -17.955 -19.589 -17.316 1.00 1.00 O ATOM 644 OE2 GLU A 40 -16.481 -18.081 -18.084 1.00 1.00 O ATOM 0 H GLU A 40 -12.993 -22.038 -17.680 1.00 1.00 H new ATOM 0 HA GLU A 40 -15.791 -22.998 -17.527 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -14.821 -20.757 -19.308 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -16.469 -21.293 -19.045 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -15.775 -20.750 -16.463 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -14.706 -19.627 -17.279 1.00 1.00 H new ATOM 651 N ARG A 41 -15.576 -24.226 -19.750 1.00 1.00 N ATOM 652 CA ARG A 41 -15.351 -25.118 -20.875 1.00 1.00 C ATOM 653 C ARG A 41 -15.431 -24.320 -22.177 1.00 1.00 C ATOM 654 O ARG A 41 -16.507 -23.781 -22.474 1.00 1.00 O ATOM 655 CB ARG A 41 -16.382 -26.248 -20.913 1.00 1.00 C ATOM 656 CG ARG A 41 -15.708 -27.611 -20.741 1.00 1.00 C ATOM 657 CD ARG A 41 -16.674 -28.626 -20.126 1.00 1.00 C ATOM 658 NE ARG A 41 -17.298 -29.441 -21.192 1.00 1.00 N ATOM 659 CZ ARG A 41 -18.004 -30.570 -20.967 1.00 1.00 C ATOM 660 NH1 ARG A 41 -18.162 -30.997 -19.707 1.00 1.00 N ATOM 661 NH2 ARG A 41 -18.538 -31.253 -21.989 1.00 1.00 N ATOM 0 H ARG A 41 -16.518 -24.271 -19.362 1.00 1.00 H new ATOM 0 HA ARG A 41 -14.363 -25.563 -20.760 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -17.118 -26.100 -20.123 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -16.921 -26.222 -21.860 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -15.361 -27.974 -21.708 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -14.829 -27.508 -20.105 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -16.141 -29.272 -19.428 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -17.444 -28.108 -19.555 1.00 1.00 H new ATOM 0 HE ARG A 41 -17.188 -29.130 -22.157 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -17.752 -30.471 -18.935 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -18.692 -31.848 -19.520 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -18.413 -30.921 -22.945 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -19.070 -32.105 -21.811 1.00 1.00 H new ATOM 675 N PHE A 42 -14.309 -24.261 -22.917 1.00 1.00 N ATOM 676 CA PHE A 42 -14.253 -23.535 -24.175 1.00 1.00 C ATOM 677 C PHE A 42 -13.554 -24.399 -25.226 1.00 1.00 C ATOM 678 O PHE A 42 -12.785 -25.291 -24.840 1.00 1.00 O ATOM 679 CB PHE A 42 -13.495 -22.211 -23.963 1.00 1.00 C ATOM 680 CG PHE A 42 -11.984 -22.312 -24.121 1.00 1.00 C ATOM 681 CD1 PHE A 42 -11.218 -23.023 -23.169 1.00 1.00 C ATOM 682 CD2 PHE A 42 -11.338 -21.702 -25.222 1.00 1.00 C ATOM 683 CE1 PHE A 42 -9.818 -23.122 -23.315 1.00 1.00 C ATOM 684 CE2 PHE A 42 -9.938 -21.801 -25.367 1.00 1.00 C ATOM 685 CZ PHE A 42 -9.178 -22.511 -24.413 1.00 1.00 C ATOM 0 H PHE A 42 -13.433 -24.712 -22.655 1.00 1.00 H new ATOM 0 HA PHE A 42 -15.260 -23.309 -24.525 1.00 1.00 H new ATOM 0 HB2 PHE A 42 -13.873 -21.474 -24.672 1.00 1.00 H new ATOM 0 HB3 PHE A 42 -13.718 -21.836 -22.964 1.00 1.00 H new ATOM 0 HD1 PHE A 42 -11.706 -23.492 -22.327 1.00 1.00 H new ATOM 0 HD2 PHE A 42 -11.918 -21.159 -25.954 1.00 1.00 H new ATOM 0 HE1 PHE A 42 -9.236 -23.666 -22.585 1.00 1.00 H new ATOM 0 HE2 PHE A 42 -9.448 -21.333 -26.208 1.00 1.00 H new ATOM 0 HZ PHE A 42 -8.106 -22.586 -24.524 1.00 1.00 H new ATOM 695 N LYS A 43 -13.831 -24.123 -26.513 1.00 1.00 N ATOM 696 CA LYS A 43 -13.233 -24.869 -27.607 1.00 1.00 C ATOM 697 C LYS A 43 -11.777 -24.432 -27.781 1.00 1.00 C ATOM 698 O LYS A 43 -11.385 -23.428 -27.168 1.00 1.00 O ATOM 699 CB LYS A 43 -14.074 -24.725 -28.876 1.00 1.00 C ATOM 700 CG LYS A 43 -14.781 -26.039 -29.218 1.00 1.00 C ATOM 701 CD LYS A 43 -16.180 -26.085 -28.601 1.00 1.00 C ATOM 702 CE LYS A 43 -17.163 -25.232 -29.404 1.00 1.00 C ATOM 703 NZ LYS A 43 -18.538 -25.438 -28.924 1.00 1.00 N ATOM 0 H LYS A 43 -14.469 -23.384 -26.810 1.00 1.00 H new ATOM 0 HA LYS A 43 -13.221 -25.935 -27.380 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -14.813 -23.935 -28.739 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -13.436 -24.424 -29.707 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -14.853 -26.146 -30.300 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -14.191 -26.880 -28.853 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -16.532 -27.116 -28.566 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -16.139 -25.727 -27.572 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -16.895 -24.179 -29.316 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -17.098 -25.490 -30.461 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -19.192 -24.851 -29.481 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -18.796 -26.440 -29.030 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -18.600 -25.169 -27.921 1.00 1.00 H new ATOM 717 N TYR A 44 -11.017 -25.181 -28.600 1.00 1.00 N ATOM 718 CA TYR A 44 -9.624 -24.822 -28.805 1.00 1.00 C ATOM 719 C TYR A 44 -9.342 -24.722 -30.305 1.00 1.00 C ATOM 720 O TYR A 44 -9.759 -23.724 -30.911 1.00 1.00 O ATOM 721 CB TYR A 44 -8.712 -25.855 -28.118 1.00 1.00 C ATOM 722 CG TYR A 44 -7.229 -25.682 -28.412 1.00 1.00 C ATOM 723 CD1 TYR A 44 -6.772 -24.530 -29.093 1.00 1.00 C ATOM 724 CD2 TYR A 44 -6.299 -26.666 -28.004 1.00 1.00 C ATOM 725 CE1 TYR A 44 -5.398 -24.365 -29.366 1.00 1.00 C ATOM 726 CE2 TYR A 44 -4.924 -26.500 -28.277 1.00 1.00 C ATOM 727 CZ TYR A 44 -4.472 -25.349 -28.959 1.00 1.00 C ATOM 728 OH TYR A 44 -3.143 -25.185 -29.226 1.00 1.00 O ATOM 0 H TYR A 44 -11.338 -26.005 -29.108 1.00 1.00 H new ATOM 0 HA TYR A 44 -9.417 -23.850 -28.357 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -8.865 -25.796 -27.040 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -9.017 -26.854 -28.429 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -7.477 -23.774 -29.405 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -6.642 -27.547 -27.482 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -5.054 -23.484 -29.887 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -4.217 -27.254 -27.964 1.00 1.00 H new ATOM 0 HH TYR A 44 -2.642 -25.952 -28.878 1.00 1.00 H new ATOM 789 N ASN A 50 -3.283 -19.481 -27.873 1.00 1.00 N ATOM 790 CA ASN A 50 -2.839 -18.708 -26.726 1.00 1.00 C ATOM 791 C ASN A 50 -2.623 -19.646 -25.536 1.00 1.00 C ATOM 792 O ASN A 50 -2.390 -20.842 -25.764 1.00 1.00 O ATOM 793 CB ASN A 50 -3.886 -17.668 -26.323 1.00 1.00 C ATOM 794 CG ASN A 50 -5.007 -18.308 -25.502 1.00 1.00 C ATOM 795 OD1 ASN A 50 -5.505 -17.516 -24.556 1.00 1.00 O flip ATOM 796 ND2 ASN A 50 -5.394 -19.445 -25.712 1.00 1.00 N flip ATOM 0 HA ASN A 50 -1.914 -18.201 -27.000 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -3.412 -16.876 -25.743 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -4.304 -17.203 -27.216 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -4.968 -20.000 -26.455 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -6.143 -19.842 -25.145 1.00 1.00 H new ATOM 803 N MET A 51 -2.703 -19.094 -24.312 1.00 1.00 N ATOM 804 CA MET A 51 -2.518 -19.877 -23.102 1.00 1.00 C ATOM 805 C MET A 51 -3.885 -20.243 -22.522 1.00 1.00 C ATOM 806 O MET A 51 -4.784 -20.588 -23.303 1.00 1.00 O ATOM 807 CB MET A 51 -1.722 -19.077 -22.068 1.00 1.00 C ATOM 808 CG MET A 51 -0.545 -18.352 -22.723 1.00 1.00 C ATOM 809 SD MET A 51 0.794 -19.530 -23.071 1.00 1.00 S ATOM 810 CE MET A 51 1.333 -19.904 -21.377 1.00 1.00 C ATOM 0 H MET A 51 -2.895 -18.106 -24.147 1.00 1.00 H new ATOM 0 HA MET A 51 -1.965 -20.784 -23.347 1.00 1.00 H new ATOM 0 HB2 MET A 51 -2.375 -18.352 -21.582 1.00 1.00 H new ATOM 0 HB3 MET A 51 -1.354 -19.746 -21.290 1.00 1.00 H new ATOM 0 HG2 MET A 51 -0.870 -17.875 -23.647 1.00 1.00 H new ATOM 0 HG3 MET A 51 -0.183 -17.561 -22.066 1.00 1.00 H new ATOM 0 HE1 MET A 51 2.378 -20.213 -21.388 1.00 1.00 H new ATOM 0 HE2 MET A 51 1.224 -19.015 -20.756 1.00 1.00 H new ATOM 0 HE3 MET A 51 0.721 -20.709 -20.970 1.00 1.00 H new ATOM 820 N ASN A 52 -4.014 -20.162 -21.185 1.00 1.00 N ATOM 821 CA ASN A 52 -5.260 -20.483 -20.511 1.00 1.00 C ATOM 822 C ASN A 52 -6.034 -21.510 -21.340 1.00 1.00 C ATOM 823 O ASN A 52 -7.220 -21.272 -21.616 1.00 1.00 O ATOM 824 CB ASN A 52 -6.139 -19.240 -20.357 1.00 1.00 C ATOM 825 CG ASN A 52 -7.126 -19.406 -19.200 1.00 1.00 C ATOM 826 OD1 ASN A 52 -6.997 -20.283 -18.361 1.00 1.00 O ATOM 827 ND2 ASN A 52 -8.115 -18.518 -19.201 1.00 1.00 N ATOM 0 H ASN A 52 -3.261 -19.875 -20.559 1.00 1.00 H new ATOM 0 HA ASN A 52 -5.017 -20.878 -19.524 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -5.512 -18.366 -20.182 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -6.685 -19.060 -21.283 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -8.825 -18.545 -18.469 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -8.164 -17.810 -19.933 1.00 1.00 H new ATOM 834 N ASN A 53 -5.361 -22.612 -21.715 1.00 1.00 N ATOM 835 CA ASN A 53 -5.982 -23.662 -22.505 1.00 1.00 C ATOM 836 C ASN A 53 -5.710 -25.016 -21.847 1.00 1.00 C ATOM 837 O ASN A 53 -4.702 -25.649 -22.193 1.00 1.00 O ATOM 838 CB ASN A 53 -5.404 -23.700 -23.921 1.00 1.00 C ATOM 839 CG ASN A 53 -5.826 -24.977 -24.651 1.00 1.00 C ATOM 840 OD1 ASN A 53 -6.795 -24.795 -25.543 1.00 1.00 O flip ATOM 841 ND2 ASN A 53 -5.306 -26.056 -24.419 1.00 1.00 N flip ATOM 0 H ASN A 53 -4.385 -22.788 -21.477 1.00 1.00 H new ATOM 0 HA ASN A 53 -7.051 -23.458 -22.557 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -5.744 -22.828 -24.480 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -4.316 -23.645 -23.875 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -4.566 -26.126 -23.720 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -5.611 -26.888 -24.924 1.00 1.00 H new ATOM 848 N PHE A 54 -6.601 -25.428 -20.927 1.00 1.00 N ATOM 849 CA PHE A 54 -6.458 -26.694 -20.229 1.00 1.00 C ATOM 850 C PHE A 54 -7.298 -27.759 -20.938 1.00 1.00 C ATOM 851 O PHE A 54 -8.123 -27.391 -21.787 1.00 1.00 O ATOM 852 CB PHE A 54 -6.913 -26.523 -18.767 1.00 1.00 C ATOM 853 CG PHE A 54 -6.109 -25.508 -17.966 1.00 1.00 C ATOM 854 CD1 PHE A 54 -4.945 -25.915 -17.273 1.00 1.00 C ATOM 855 CD2 PHE A 54 -6.514 -24.154 -17.916 1.00 1.00 C ATOM 856 CE1 PHE A 54 -4.195 -24.976 -16.533 1.00 1.00 C ATOM 857 CE2 PHE A 54 -5.763 -23.216 -17.176 1.00 1.00 C ATOM 858 CZ PHE A 54 -4.604 -23.626 -16.485 1.00 1.00 C ATOM 0 H PHE A 54 -7.426 -24.892 -20.657 1.00 1.00 H new ATOM 0 HA PHE A 54 -5.415 -27.011 -20.235 1.00 1.00 H new ATOM 0 HB2 PHE A 54 -7.961 -26.224 -18.759 1.00 1.00 H new ATOM 0 HB3 PHE A 54 -6.854 -27.490 -18.267 1.00 1.00 H new ATOM 0 HD1 PHE A 54 -4.629 -26.947 -17.310 1.00 1.00 H new ATOM 0 HD2 PHE A 54 -7.400 -23.837 -18.445 1.00 1.00 H new ATOM 0 HE1 PHE A 54 -3.308 -25.291 -16.003 1.00 1.00 H new ATOM 0 HE2 PHE A 54 -6.076 -22.183 -17.139 1.00 1.00 H new ATOM 0 HZ PHE A 54 -4.030 -22.907 -15.919 1.00 1.00 H new ATOM 868 N GLU A 55 -7.075 -29.037 -20.583 1.00 1.00 N ATOM 869 CA GLU A 55 -7.806 -30.142 -21.181 1.00 1.00 C ATOM 870 C GLU A 55 -8.924 -30.580 -20.233 1.00 1.00 C ATOM 871 O GLU A 55 -9.953 -31.068 -20.722 1.00 1.00 O ATOM 872 CB GLU A 55 -6.879 -31.313 -21.515 1.00 1.00 C ATOM 873 CG GLU A 55 -5.812 -30.896 -22.528 1.00 1.00 C ATOM 874 CD GLU A 55 -5.316 -32.101 -23.330 1.00 1.00 C ATOM 875 OE1 GLU A 55 -5.967 -33.196 -23.126 1.00 1.00 O ATOM 876 OE2 GLU A 55 -4.354 -31.979 -24.103 1.00 1.00 O ATOM 0 H GLU A 55 -6.390 -29.319 -19.882 1.00 1.00 H new ATOM 0 HA GLU A 55 -8.243 -29.805 -22.121 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -6.400 -31.673 -20.605 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -7.463 -32.141 -21.917 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -6.222 -30.147 -23.206 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -4.974 -30.431 -22.008 1.00 1.00 H new ATOM 883 N THR A 56 -8.704 -30.400 -18.918 1.00 1.00 N ATOM 884 CA THR A 56 -9.686 -30.775 -17.915 1.00 1.00 C ATOM 885 C THR A 56 -9.936 -29.587 -16.983 1.00 1.00 C ATOM 886 O THR A 56 -9.026 -28.759 -16.828 1.00 1.00 O ATOM 887 CB THR A 56 -9.189 -32.025 -17.187 1.00 1.00 C ATOM 888 OG1 THR A 56 -7.775 -31.855 -17.132 1.00 1.00 O ATOM 889 CG2 THR A 56 -9.380 -33.299 -18.013 1.00 1.00 C ATOM 0 H THR A 56 -7.849 -29.995 -18.536 1.00 1.00 H new ATOM 0 HA THR A 56 -10.646 -31.024 -18.367 1.00 1.00 H new ATOM 0 HB THR A 56 -9.716 -32.126 -16.238 1.00 1.00 H new ATOM 0 HG1 THR A 56 -7.371 -32.621 -16.673 1.00 1.00 H new ATOM 0 HG21 THR A 56 -9.011 -34.156 -17.450 1.00 1.00 H new ATOM 0 HG22 THR A 56 -10.439 -33.436 -18.230 1.00 1.00 H new ATOM 0 HG23 THR A 56 -8.826 -33.213 -18.948 1.00 1.00 H new ATOM 897 N LEU A 57 -11.142 -29.528 -16.392 1.00 1.00 N ATOM 898 CA LEU A 57 -11.504 -28.452 -15.485 1.00 1.00 C ATOM 899 C LEU A 57 -10.607 -28.511 -14.247 1.00 1.00 C ATOM 900 O LEU A 57 -10.052 -27.469 -13.870 1.00 1.00 O ATOM 901 CB LEU A 57 -12.999 -28.502 -15.164 1.00 1.00 C ATOM 902 CG LEU A 57 -13.550 -27.327 -14.354 1.00 1.00 C ATOM 903 CD1 LEU A 57 -14.071 -26.222 -15.275 1.00 1.00 C ATOM 904 CD2 LEU A 57 -14.616 -27.797 -13.362 1.00 1.00 C ATOM 0 H LEU A 57 -11.877 -30.221 -16.534 1.00 1.00 H new ATOM 0 HA LEU A 57 -11.335 -27.484 -15.956 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -13.550 -28.561 -16.102 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -13.202 -29.422 -14.616 1.00 1.00 H new ATOM 0 HG LEU A 57 -12.733 -26.901 -13.771 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -14.457 -25.399 -14.674 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -13.259 -25.861 -15.906 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -14.869 -26.618 -15.903 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -14.991 -26.942 -12.799 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -15.438 -28.263 -13.905 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -14.179 -28.521 -12.674 1.00 1.00 H new ATOM 916 N GLU A 58 -10.484 -29.710 -13.649 1.00 1.00 N ATOM 917 CA GLU A 58 -9.662 -29.899 -12.466 1.00 1.00 C ATOM 918 C GLU A 58 -8.260 -29.347 -12.730 1.00 1.00 C ATOM 919 O GLU A 58 -7.779 -28.545 -11.916 1.00 1.00 O ATOM 920 CB GLU A 58 -9.602 -31.372 -12.053 1.00 1.00 C ATOM 921 CG GLU A 58 -9.556 -31.513 -10.530 1.00 1.00 C ATOM 922 CD GLU A 58 -9.491 -32.985 -10.118 1.00 1.00 C ATOM 923 OE1 GLU A 58 -8.589 -33.713 -10.558 1.00 1.00 O ATOM 924 OE2 GLU A 58 -10.420 -33.366 -9.309 1.00 1.00 O ATOM 0 H GLU A 58 -10.949 -30.557 -13.976 1.00 1.00 H new ATOM 0 HA GLU A 58 -10.113 -29.354 -11.637 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -10.472 -31.899 -12.444 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -8.721 -31.841 -12.492 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -8.688 -30.983 -10.138 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -10.438 -31.047 -10.091 1.00 1.00 H new ATOM 931 N GLU A 59 -7.642 -29.778 -13.844 1.00 1.00 N ATOM 932 CA GLU A 59 -6.310 -29.330 -14.209 1.00 1.00 C ATOM 933 C GLU A 59 -6.284 -27.800 -14.247 1.00 1.00 C ATOM 934 O GLU A 59 -5.367 -27.211 -13.656 1.00 1.00 O ATOM 935 CB GLU A 59 -5.865 -29.919 -15.549 1.00 1.00 C ATOM 936 CG GLU A 59 -4.342 -30.040 -15.617 1.00 1.00 C ATOM 937 CD GLU A 59 -3.707 -28.727 -16.079 1.00 1.00 C ATOM 938 OE1 GLU A 59 -3.763 -27.723 -15.354 1.00 1.00 O ATOM 939 OE2 GLU A 59 -3.138 -28.774 -17.236 1.00 1.00 O ATOM 0 H GLU A 59 -8.056 -30.439 -14.502 1.00 1.00 H new ATOM 0 HA GLU A 59 -5.604 -29.684 -13.457 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -6.318 -30.901 -15.687 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -6.220 -29.287 -16.363 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -3.951 -30.312 -14.636 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -4.068 -30.842 -16.303 1.00 1.00 H new ATOM 946 N CYS A 60 -7.273 -27.198 -14.930 1.00 1.00 N ATOM 947 CA CYS A 60 -7.362 -25.752 -15.042 1.00 1.00 C ATOM 948 C CYS A 60 -7.525 -25.146 -13.646 1.00 1.00 C ATOM 949 O CYS A 60 -7.118 -23.991 -13.454 1.00 1.00 O ATOM 950 CB CYS A 60 -8.499 -25.340 -15.979 1.00 1.00 C ATOM 951 SG CYS A 60 -8.939 -23.578 -15.916 1.00 1.00 S ATOM 0 H CYS A 60 -8.019 -27.702 -15.410 1.00 1.00 H new ATOM 0 HA CYS A 60 -6.442 -25.367 -15.482 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -8.218 -25.593 -17.001 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -9.383 -25.930 -15.736 1.00 1.00 H new ATOM 957 N LYS A 61 -8.108 -25.924 -12.716 1.00 1.00 N ATOM 958 CA LYS A 61 -8.321 -25.467 -11.354 1.00 1.00 C ATOM 959 C LYS A 61 -7.020 -25.610 -10.563 1.00 1.00 C ATOM 960 O LYS A 61 -6.589 -24.621 -9.952 1.00 1.00 O ATOM 961 CB LYS A 61 -9.508 -26.198 -10.723 1.00 1.00 C ATOM 962 CG LYS A 61 -10.763 -26.053 -11.586 1.00 1.00 C ATOM 963 CD LYS A 61 -11.932 -25.506 -10.764 1.00 1.00 C ATOM 964 CE LYS A 61 -12.607 -24.335 -11.482 1.00 1.00 C ATOM 965 NZ LYS A 61 -13.839 -24.782 -12.152 1.00 1.00 N ATOM 0 H LYS A 61 -8.437 -26.873 -12.896 1.00 1.00 H new ATOM 0 HA LYS A 61 -8.586 -24.410 -11.344 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -9.266 -27.254 -10.601 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -9.699 -25.798 -9.727 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -10.558 -25.385 -12.423 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -11.032 -27.021 -12.009 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -12.660 -26.298 -10.589 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -11.574 -25.181 -9.787 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -12.841 -23.548 -10.766 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -11.923 -23.907 -12.214 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -14.202 -24.018 -12.757 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -13.633 -25.618 -12.736 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -14.554 -25.027 -11.437 1.00 1.00 H new ATOM 979 N ASN A 62 -6.429 -26.818 -10.588 1.00 1.00 N ATOM 980 CA ASN A 62 -5.189 -27.084 -9.878 1.00 1.00 C ATOM 981 C ASN A 62 -4.144 -26.040 -10.276 1.00 1.00 C ATOM 982 O ASN A 62 -3.426 -25.556 -9.389 1.00 1.00 O ATOM 983 CB ASN A 62 -4.637 -28.466 -10.234 1.00 1.00 C ATOM 984 CG ASN A 62 -3.552 -28.894 -9.245 1.00 1.00 C ATOM 985 OD1 ASN A 62 -2.838 -28.084 -8.677 1.00 1.00 O ATOM 986 ND2 ASN A 62 -3.467 -30.210 -9.070 1.00 1.00 N ATOM 0 H ASN A 62 -6.800 -27.620 -11.097 1.00 1.00 H new ATOM 0 HA ASN A 62 -5.397 -27.043 -8.809 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -5.446 -29.197 -10.231 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -4.227 -28.449 -11.244 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -2.773 -30.596 -8.429 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -4.095 -30.834 -9.577 1.00 1.00 H new ATOM 993 N ILE A 63 -4.080 -25.719 -11.581 1.00 1.00 N ATOM 994 CA ILE A 63 -3.132 -24.742 -12.087 1.00 1.00 C ATOM 995 C ILE A 63 -3.602 -23.336 -11.707 1.00 1.00 C ATOM 996 O ILE A 63 -2.808 -22.589 -11.116 1.00 1.00 O ATOM 997 CB ILE A 63 -2.918 -24.933 -13.590 1.00 1.00 C ATOM 998 CG1 ILE A 63 -1.959 -26.093 -13.865 1.00 1.00 C ATOM 999 CG2 ILE A 63 -2.447 -23.633 -14.247 1.00 1.00 C ATOM 1000 CD1 ILE A 63 -2.259 -27.280 -12.946 1.00 1.00 C ATOM 0 H ILE A 63 -4.680 -26.130 -12.296 1.00 1.00 H new ATOM 0 HA ILE A 63 -2.154 -24.886 -11.627 1.00 1.00 H new ATOM 0 HB ILE A 63 -3.876 -25.193 -14.040 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.046 -26.403 -14.906 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -0.931 -25.763 -13.716 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -2.303 -23.797 -15.315 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -3.197 -22.857 -14.097 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -1.505 -23.319 -13.797 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -1.564 -28.092 -13.161 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -2.147 -26.973 -11.906 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -3.280 -27.622 -13.115 1.00 1.00 H new ATOM 1012 N CYS A 64 -4.861 -23.010 -12.046 1.00 1.00 N ATOM 1013 CA CYS A 64 -5.428 -21.707 -11.741 1.00 1.00 C ATOM 1014 C CYS A 64 -5.968 -21.712 -10.310 1.00 1.00 C ATOM 1015 O CYS A 64 -5.253 -21.253 -9.408 1.00 1.00 O ATOM 1016 CB CYS A 64 -6.505 -21.323 -12.757 1.00 1.00 C ATOM 1017 SG CYS A 64 -6.031 -21.554 -14.496 1.00 1.00 S ATOM 0 H CYS A 64 -5.498 -23.640 -12.533 1.00 1.00 H new ATOM 0 HA CYS A 64 -4.648 -20.949 -11.813 1.00 1.00 H new ATOM 0 HB2 CYS A 64 -7.399 -21.913 -12.558 1.00 1.00 H new ATOM 0 HB3 CYS A 64 -6.772 -20.277 -12.604 1.00 1.00 H new ATOM 0 HG CYS A 64 -4.884 -20.983 -14.713 1.00 1.00 H new ATOM 1023 N GLU A 65 -7.200 -22.223 -10.133 1.00 1.00 N ATOM 1024 CA GLU A 65 -7.827 -22.286 -8.824 1.00 1.00 C ATOM 1025 C GLU A 65 -6.757 -22.557 -7.764 1.00 1.00 C ATOM 1026 O GLU A 65 -6.897 -22.048 -6.642 1.00 1.00 O ATOM 1027 CB GLU A 65 -8.926 -23.349 -8.778 1.00 1.00 C ATOM 1028 CG GLU A 65 -10.277 -22.760 -9.187 1.00 1.00 C ATOM 1029 CD GLU A 65 -11.404 -23.312 -8.312 1.00 1.00 C ATOM 1030 OE1 GLU A 65 -11.274 -24.412 -7.754 1.00 1.00 O ATOM 1031 OE2 GLU A 65 -12.444 -22.555 -8.221 1.00 1.00 O ATOM 0 H GLU A 65 -7.773 -22.596 -10.890 1.00 1.00 H new ATOM 0 HA GLU A 65 -8.304 -21.328 -8.618 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -8.668 -24.173 -9.444 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -8.995 -23.762 -7.772 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -10.245 -21.674 -9.102 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -10.477 -22.992 -10.233 1.00 1.00 H new ATOM 1038 N ASP A 66 -5.727 -23.339 -8.133 1.00 1.00 N ATOM 1039 CA ASP A 66 -4.647 -23.672 -7.220 1.00 1.00 C ATOM 1040 C ASP A 66 -5.235 -24.077 -5.867 1.00 1.00 C ATOM 1041 O ASP A 66 -6.466 -24.187 -5.768 1.00 1.00 O ATOM 1042 CB ASP A 66 -3.727 -22.471 -6.995 1.00 1.00 C ATOM 1043 CG ASP A 66 -4.328 -21.344 -6.153 1.00 1.00 C ATOM 1044 OD1 ASP A 66 -5.020 -21.593 -5.154 1.00 1.00 O ATOM 1045 OD2 ASP A 66 -4.058 -20.152 -6.564 1.00 1.00 O ATOM 0 H ASP A 66 -5.630 -23.748 -9.063 1.00 1.00 H new ATOM 0 HA ASP A 66 -4.074 -24.489 -7.659 1.00 1.00 H new ATOM 0 HB2 ASP A 66 -2.814 -22.818 -6.512 1.00 1.00 H new ATOM 0 HB3 ASP A 66 -3.440 -22.066 -7.965 1.00 1.00 H new