USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=12 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 38 GLN : amide:sc= -2.64! C(o=-3.5!,f=-9.1!) USER MOD Set 1.2: A 61 LYS NZ :NH3+ -172:sc= -0.87 (180deg=-1.74) USER MOD Set 2.1: A 39 CYS SG : rot -83:sc= -15! USER MOD Set 2.2: A 60 CYS SG : rot -73:sc= -14.8! USER MOD Single : A 10 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.01) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 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= -0.324 USER MOD Single : A 32 TYR OH : rot 101:sc= 0.194 USER MOD Single : A 33 ASN : amide:sc= -0.0719 K(o=-0.072,f=-9.1!) USER MOD Single : A 34 ASN : amide:sc= -1.49 K(o=-1.5,f=-9.6!) USER MOD Single : A 35 GLN : amide:sc= -0.423 K(o=-0.42,f=-2.9!) USER MOD Single : A 36 THR OG1 : rot 150:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=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 : amide:sc= -3.82! C(o=-3.8!,f=-4.3!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.76! C(o=-1.8!,f=-10!) USER MOD Single : A 53 ASN : amide:sc= -3.82 K(o=-3.8,f=-5.4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 62 ASN : amide:sc=-0.00458 X(o=-0.0046,f=-0.0039) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 -8.824 -6.160 -9.759 1.00 1.00 N ATOM 146 CA LYS A 10 -9.918 -6.252 -10.711 1.00 1.00 C ATOM 147 C LYS A 10 -9.363 -6.630 -12.086 1.00 1.00 C ATOM 148 O LYS A 10 -8.271 -6.155 -12.431 1.00 1.00 O ATOM 149 CB LYS A 10 -10.736 -4.958 -10.713 1.00 1.00 C ATOM 150 CG LYS A 10 -12.231 -5.254 -10.580 1.00 1.00 C ATOM 151 CD LYS A 10 -13.004 -4.725 -11.789 1.00 1.00 C ATOM 152 CE LYS A 10 -14.393 -5.361 -11.872 1.00 1.00 C ATOM 153 NZ LYS A 10 -15.325 -4.686 -10.954 1.00 1.00 N ATOM 0 HA LYS A 10 -10.611 -7.041 -10.419 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -10.414 -4.319 -9.891 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -10.551 -4.408 -11.636 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -12.386 -6.329 -10.487 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -12.616 -4.796 -9.669 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -13.100 -3.642 -11.718 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -12.448 -4.937 -12.702 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -14.769 -5.296 -12.893 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -14.330 -6.420 -11.622 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -16.290 -5.037 -11.119 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -15.048 -4.884 -9.971 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -15.296 -3.660 -11.122 1.00 1.00 H new ATOM 167 N PRO A 11 -10.112 -7.463 -12.830 1.00 1.00 N ATOM 168 CA PRO A 11 -9.729 -7.919 -14.155 1.00 1.00 C ATOM 169 C PRO A 11 -9.631 -6.745 -15.131 1.00 1.00 C ATOM 170 O PRO A 11 -10.681 -6.212 -15.519 1.00 1.00 O ATOM 171 CB PRO A 11 -10.794 -8.930 -14.547 1.00 1.00 C ATOM 172 CG PRO A 11 -11.979 -8.661 -13.633 1.00 1.00 C ATOM 173 CD PRO A 11 -11.502 -7.765 -12.502 1.00 1.00 C ATOM 0 HA PRO A 11 -8.740 -8.376 -14.173 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -11.074 -8.816 -15.594 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -10.429 -9.950 -14.424 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -12.786 -8.181 -14.186 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -12.376 -9.596 -13.238 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -12.100 -6.856 -12.438 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -11.581 -8.268 -11.538 1.00 1.00 H new ATOM 181 N ASP A 12 -8.393 -6.372 -15.503 1.00 1.00 N ATOM 182 CA ASP A 12 -8.164 -5.272 -16.424 1.00 1.00 C ATOM 183 C ASP A 12 -8.792 -5.609 -17.779 1.00 1.00 C ATOM 184 O ASP A 12 -9.209 -4.677 -18.483 1.00 1.00 O ATOM 185 CB ASP A 12 -6.668 -5.039 -16.642 1.00 1.00 C ATOM 186 CG ASP A 12 -6.310 -3.699 -17.289 1.00 1.00 C ATOM 187 OD1 ASP A 12 -6.435 -2.671 -16.520 1.00 1.00 O ATOM 188 OD2 ASP A 12 -5.930 -3.641 -18.468 1.00 1.00 O ATOM 0 H ASP A 12 -7.541 -6.825 -15.172 1.00 1.00 H new ATOM 0 HA ASP A 12 -8.610 -4.374 -15.996 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -6.161 -5.108 -15.680 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -6.278 -5.843 -17.266 1.00 1.00 H new ATOM 193 N PHE A 13 -8.845 -6.911 -18.111 1.00 1.00 N ATOM 194 CA PHE A 13 -9.416 -7.362 -19.369 1.00 1.00 C ATOM 195 C PHE A 13 -10.851 -6.845 -19.486 1.00 1.00 C ATOM 196 O PHE A 13 -11.315 -6.644 -20.618 1.00 1.00 O ATOM 197 CB PHE A 13 -9.384 -8.902 -19.417 1.00 1.00 C ATOM 198 CG PHE A 13 -10.400 -9.587 -18.513 1.00 1.00 C ATOM 199 CD1 PHE A 13 -11.783 -9.506 -18.801 1.00 1.00 C ATOM 200 CD2 PHE A 13 -9.965 -10.304 -17.375 1.00 1.00 C ATOM 201 CE1 PHE A 13 -12.721 -10.139 -17.959 1.00 1.00 C ATOM 202 CE2 PHE A 13 -10.905 -10.937 -16.533 1.00 1.00 C ATOM 203 CZ PHE A 13 -12.282 -10.854 -16.825 1.00 1.00 C ATOM 0 H PHE A 13 -8.495 -7.662 -17.516 1.00 1.00 H new ATOM 0 HA PHE A 13 -8.836 -6.974 -20.207 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -9.556 -9.224 -20.444 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -8.385 -9.240 -19.140 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -12.121 -8.958 -19.668 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -8.911 -10.368 -17.149 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -13.776 -10.076 -18.183 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -10.569 -11.485 -15.665 1.00 1.00 H new ATOM 0 HZ PHE A 13 -13.001 -11.338 -16.180 1.00 1.00 H new ATOM 213 N CYS A 14 -11.515 -6.642 -18.334 1.00 1.00 N ATOM 214 CA CYS A 14 -12.883 -6.154 -18.308 1.00 1.00 C ATOM 215 C CYS A 14 -12.922 -4.731 -18.868 1.00 1.00 C ATOM 216 O CYS A 14 -13.889 -4.399 -19.570 1.00 1.00 O ATOM 217 CB CYS A 14 -13.470 -6.228 -16.897 1.00 1.00 C ATOM 218 SG CYS A 14 -14.074 -7.870 -16.408 1.00 1.00 S ATOM 0 H CYS A 14 -11.114 -6.813 -17.412 1.00 1.00 H new ATOM 0 HA CYS A 14 -13.505 -6.791 -18.936 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -12.709 -5.910 -16.185 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -14.293 -5.517 -16.823 1.00 1.00 H new ATOM 224 N PHE A 15 -11.887 -3.931 -18.553 1.00 1.00 N ATOM 225 CA PHE A 15 -11.805 -2.558 -19.022 1.00 1.00 C ATOM 226 C PHE A 15 -11.176 -2.537 -20.417 1.00 1.00 C ATOM 227 O PHE A 15 -10.910 -1.439 -20.927 1.00 1.00 O ATOM 228 CB PHE A 15 -10.962 -1.733 -18.030 1.00 1.00 C ATOM 229 CG PHE A 15 -11.133 -2.129 -16.570 1.00 1.00 C ATOM 230 CD1 PHE A 15 -12.423 -2.209 -15.997 1.00 1.00 C ATOM 231 CD2 PHE A 15 -9.998 -2.412 -15.776 1.00 1.00 C ATOM 232 CE1 PHE A 15 -12.577 -2.572 -14.642 1.00 1.00 C ATOM 233 CE2 PHE A 15 -10.152 -2.775 -14.421 1.00 1.00 C ATOM 234 CZ PHE A 15 -11.442 -2.855 -13.854 1.00 1.00 C ATOM 0 H PHE A 15 -11.100 -4.224 -17.974 1.00 1.00 H new ATOM 0 HA PHE A 15 -12.802 -2.121 -19.083 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -9.910 -1.831 -18.298 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -11.222 -0.680 -18.140 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -13.293 -1.992 -16.598 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -9.010 -2.350 -16.208 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -13.564 -2.633 -14.208 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -9.283 -2.992 -13.818 1.00 1.00 H new ATOM 0 HZ PHE A 15 -11.560 -3.133 -12.817 1.00 1.00 H new ATOM 244 N LEU A 16 -10.955 -3.731 -20.996 1.00 1.00 N ATOM 245 CA LEU A 16 -10.364 -3.848 -22.318 1.00 1.00 C ATOM 246 C LEU A 16 -11.462 -3.724 -23.376 1.00 1.00 C ATOM 247 O LEU A 16 -12.473 -4.433 -23.262 1.00 1.00 O ATOM 248 CB LEU A 16 -9.547 -5.137 -22.427 1.00 1.00 C ATOM 249 CG LEU A 16 -8.104 -4.977 -22.913 1.00 1.00 C ATOM 250 CD1 LEU A 16 -7.165 -4.664 -21.747 1.00 1.00 C ATOM 251 CD2 LEU A 16 -7.652 -6.209 -23.699 1.00 1.00 C ATOM 0 H LEU A 16 -11.182 -4.624 -20.558 1.00 1.00 H new ATOM 0 HA LEU A 16 -9.659 -3.035 -22.494 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -9.529 -5.616 -21.448 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -10.065 -5.816 -23.105 1.00 1.00 H new ATOM 0 HG LEU A 16 -8.064 -4.127 -23.595 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -6.146 -4.555 -22.119 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -7.477 -3.736 -21.267 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -7.201 -5.477 -21.022 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -6.624 -6.070 -24.033 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -7.710 -7.090 -23.060 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -8.300 -6.346 -24.565 1.00 1.00 H new ATOM 263 N GLU A 17 -11.247 -2.841 -24.367 1.00 1.00 N ATOM 264 CA GLU A 17 -12.212 -2.630 -25.433 1.00 1.00 C ATOM 265 C GLU A 17 -12.729 -3.984 -25.923 1.00 1.00 C ATOM 266 O GLU A 17 -12.025 -4.987 -25.736 1.00 1.00 O ATOM 267 CB GLU A 17 -11.609 -1.824 -26.585 1.00 1.00 C ATOM 268 CG GLU A 17 -10.118 -2.128 -26.746 1.00 1.00 C ATOM 269 CD GLU A 17 -9.651 -1.841 -28.174 1.00 1.00 C ATOM 270 OE1 GLU A 17 -10.591 -1.546 -29.007 1.00 1.00 O ATOM 271 OE2 GLU A 17 -8.445 -1.904 -28.457 1.00 1.00 O ATOM 0 H GLU A 17 -10.408 -2.266 -24.442 1.00 1.00 H new ATOM 0 HA GLU A 17 -13.045 -2.048 -25.040 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -12.134 -2.059 -27.511 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -11.749 -0.759 -26.400 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -9.542 -1.525 -26.043 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -9.928 -3.173 -26.500 1.00 1.00 H new ATOM 278 N GLU A 18 -13.929 -3.986 -26.531 1.00 1.00 N ATOM 279 CA GLU A 18 -14.531 -5.206 -27.042 1.00 1.00 C ATOM 280 C GLU A 18 -13.751 -5.679 -28.270 1.00 1.00 C ATOM 281 O GLU A 18 -13.299 -4.825 -29.047 1.00 1.00 O ATOM 282 CB GLU A 18 -16.010 -5.005 -27.376 1.00 1.00 C ATOM 283 CG GLU A 18 -16.186 -4.516 -28.815 1.00 1.00 C ATOM 284 CD GLU A 18 -17.388 -3.577 -28.932 1.00 1.00 C ATOM 285 OE1 GLU A 18 -17.383 -2.487 -28.340 1.00 1.00 O ATOM 286 OE2 GLU A 18 -18.351 -4.013 -29.670 1.00 1.00 O ATOM 0 H GLU A 18 -14.493 -3.148 -26.675 1.00 1.00 H new ATOM 0 HA GLU A 18 -14.481 -5.971 -26.268 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -16.548 -5.943 -27.239 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -16.447 -4.283 -26.687 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -15.283 -3.999 -29.140 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -16.321 -5.370 -29.479 1.00 1.00 H new ATOM 293 N ASP A 19 -13.610 -7.009 -28.419 1.00 1.00 N ATOM 294 CA ASP A 19 -12.892 -7.586 -29.542 1.00 1.00 C ATOM 295 C ASP A 19 -13.658 -8.806 -30.059 1.00 1.00 C ATOM 296 O ASP A 19 -13.500 -9.890 -29.480 1.00 1.00 O ATOM 297 CB ASP A 19 -11.495 -8.048 -29.124 1.00 1.00 C ATOM 298 CG ASP A 19 -10.464 -8.095 -30.253 1.00 1.00 C ATOM 299 OD1 ASP A 19 -10.716 -7.615 -31.368 1.00 1.00 O ATOM 300 OD2 ASP A 19 -9.345 -8.661 -29.948 1.00 1.00 O ATOM 0 H ASP A 19 -13.989 -7.696 -27.767 1.00 1.00 H new ATOM 0 HA ASP A 19 -12.803 -6.822 -30.314 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -11.127 -7.382 -28.344 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -11.574 -9.042 -28.683 1.00 1.00 H new ATOM 305 N PRO A 20 -14.459 -8.607 -31.121 1.00 1.00 N ATOM 306 CA PRO A 20 -15.253 -9.658 -31.734 1.00 1.00 C ATOM 307 C PRO A 20 -14.360 -10.682 -32.437 1.00 1.00 C ATOM 308 O PRO A 20 -14.858 -11.766 -32.775 1.00 1.00 O ATOM 309 CB PRO A 20 -16.193 -8.937 -32.686 1.00 1.00 C ATOM 310 CG PRO A 20 -15.579 -7.565 -32.918 1.00 1.00 C ATOM 311 CD PRO A 20 -14.507 -7.350 -31.862 1.00 1.00 C ATOM 0 HA PRO A 20 -15.816 -10.239 -31.004 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -16.294 -9.483 -33.624 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -17.192 -8.851 -32.258 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -15.148 -7.504 -33.917 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -16.342 -6.789 -32.851 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -13.543 -7.122 -32.317 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -14.757 -6.514 -31.208 1.00 1.00 H new ATOM 319 N GLY A 21 -13.079 -10.325 -32.640 1.00 1.00 N ATOM 320 CA GLY A 21 -12.128 -11.206 -33.296 1.00 1.00 C ATOM 321 C GLY A 21 -12.363 -11.168 -34.807 1.00 1.00 C ATOM 322 O GLY A 21 -13.530 -11.108 -35.221 1.00 1.00 O ATOM 0 H GLY A 21 -12.689 -9.427 -32.354 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -11.109 -10.895 -33.067 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -12.242 -12.224 -32.924 1.00 1.00 H new ATOM 326 N ILE A 22 -11.269 -11.203 -35.588 1.00 1.00 N ATOM 327 CA ILE A 22 -11.356 -11.173 -37.038 1.00 1.00 C ATOM 328 C ILE A 22 -12.695 -11.769 -37.477 1.00 1.00 C ATOM 329 O ILE A 22 -13.667 -11.009 -37.598 1.00 1.00 O ATOM 330 CB ILE A 22 -10.142 -11.864 -37.663 1.00 1.00 C ATOM 331 CG1 ILE A 22 -9.539 -12.889 -36.700 1.00 1.00 C ATOM 332 CG2 ILE A 22 -9.107 -10.838 -38.130 1.00 1.00 C ATOM 333 CD1 ILE A 22 -8.238 -12.366 -36.087 1.00 1.00 C ATOM 0 H ILE A 22 -10.316 -11.252 -35.227 1.00 1.00 H new ATOM 0 HA ILE A 22 -11.330 -10.145 -37.399 1.00 1.00 H new ATOM 0 HB ILE A 22 -10.476 -12.409 -38.546 1.00 1.00 H new ATOM 0 HG12 ILE A 22 -10.254 -13.114 -35.908 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -9.346 -13.822 -37.230 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -8.255 -11.356 -38.570 1.00 1.00 H new ATOM 0 HG22 ILE A 22 -9.556 -10.181 -38.874 1.00 1.00 H new ATOM 0 HG23 ILE A 22 -8.772 -10.246 -37.278 1.00 1.00 H new ATOM 0 HD11 ILE A 22 -7.830 -13.113 -35.407 1.00 1.00 H new ATOM 0 HD12 ILE A 22 -7.517 -12.165 -36.880 1.00 1.00 H new ATOM 0 HD13 ILE A 22 -8.439 -11.446 -35.538 1.00 1.00 H new ATOM 345 N CYS A 23 -12.720 -13.095 -37.702 1.00 1.00 N ATOM 346 CA CYS A 23 -13.929 -13.782 -38.123 1.00 1.00 C ATOM 347 C CYS A 23 -15.149 -13.038 -37.577 1.00 1.00 C ATOM 348 O CYS A 23 -15.077 -12.535 -36.446 1.00 1.00 O ATOM 349 CB CYS A 23 -13.911 -15.248 -37.684 1.00 1.00 C ATOM 350 SG CYS A 23 -12.750 -16.303 -38.600 1.00 1.00 S ATOM 0 H CYS A 23 -11.908 -13.703 -37.596 1.00 1.00 H new ATOM 0 HA CYS A 23 -13.983 -13.784 -39.212 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -13.661 -15.292 -36.624 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -14.915 -15.658 -37.792 1.00 1.00 H new ATOM 0 HG CYS A 23 -12.817 -17.519 -38.145 1.00 1.00 H new ATOM 356 N ARG A 24 -16.229 -12.983 -38.378 1.00 1.00 N ATOM 357 CA ARG A 24 -17.451 -12.307 -37.977 1.00 1.00 C ATOM 358 C ARG A 24 -18.603 -13.313 -37.957 1.00 1.00 C ATOM 359 O ARG A 24 -19.245 -13.496 -39.001 1.00 1.00 O ATOM 360 CB ARG A 24 -17.800 -11.162 -38.931 1.00 1.00 C ATOM 361 CG ARG A 24 -17.651 -11.599 -40.389 1.00 1.00 C ATOM 362 CD ARG A 24 -16.308 -11.143 -40.963 1.00 1.00 C ATOM 363 NE ARG A 24 -16.529 -10.258 -42.129 1.00 1.00 N ATOM 364 CZ ARG A 24 -16.850 -10.698 -43.364 1.00 1.00 C ATOM 365 NH1 ARG A 24 -16.980 -12.016 -43.570 1.00 1.00 N ATOM 366 NH2 ARG A 24 -17.034 -9.831 -44.368 1.00 1.00 N ATOM 0 H ARG A 24 -16.268 -13.403 -39.307 1.00 1.00 H new ATOM 0 HA ARG A 24 -17.294 -11.887 -36.984 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -18.823 -10.831 -38.749 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -17.150 -10.309 -38.735 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -17.730 -12.684 -40.457 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -18.465 -11.182 -40.982 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -15.737 -10.615 -40.199 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -15.718 -12.010 -41.261 1.00 1.00 H new ATOM 0 HE ARG A 24 -16.433 -9.252 -41.990 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -16.837 -12.669 -42.800 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -17.222 -12.366 -44.497 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -16.932 -8.830 -44.202 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -17.276 -10.172 -45.298 1.00 1.00 H new ATOM 380 N GLY A 25 -18.837 -13.936 -36.788 1.00 1.00 N ATOM 381 CA GLY A 25 -19.902 -14.914 -36.636 1.00 1.00 C ATOM 382 C GLY A 25 -21.084 -14.266 -35.914 1.00 1.00 C ATOM 383 O GLY A 25 -22.228 -14.659 -36.185 1.00 1.00 O ATOM 0 H GLY A 25 -18.295 -13.771 -35.940 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -20.215 -15.282 -37.613 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -19.543 -15.774 -36.071 1.00 1.00 H new ATOM 387 N TYR A 26 -20.791 -13.302 -35.023 1.00 1.00 N ATOM 388 CA TYR A 26 -21.869 -12.650 -34.299 1.00 1.00 C ATOM 389 C TYR A 26 -22.574 -13.675 -33.409 1.00 1.00 C ATOM 390 O TYR A 26 -22.959 -14.732 -33.931 1.00 1.00 O ATOM 391 CB TYR A 26 -22.842 -11.991 -35.295 1.00 1.00 C ATOM 392 CG TYR A 26 -22.276 -10.778 -36.021 1.00 1.00 C ATOM 393 CD1 TYR A 26 -20.979 -10.310 -35.711 1.00 1.00 C ATOM 394 CD2 TYR A 26 -23.039 -10.116 -37.011 1.00 1.00 C ATOM 395 CE1 TYR A 26 -20.449 -9.188 -36.383 1.00 1.00 C ATOM 396 CE2 TYR A 26 -22.509 -8.994 -37.683 1.00 1.00 C ATOM 397 CZ TYR A 26 -21.214 -8.528 -37.369 1.00 1.00 C ATOM 398 OH TYR A 26 -20.698 -7.442 -38.017 1.00 1.00 O ATOM 0 H TYR A 26 -19.851 -12.974 -34.800 1.00 1.00 H new ATOM 0 HA TYR A 26 -21.470 -11.864 -33.658 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -23.143 -12.733 -36.034 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -23.742 -11.691 -34.759 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -20.391 -10.813 -34.957 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -24.030 -10.470 -37.253 1.00 1.00 H new ATOM 0 HE1 TYR A 26 -19.457 -8.834 -36.143 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -23.095 -8.491 -38.438 1.00 1.00 H new ATOM 0 HH TYR A 26 -21.352 -7.107 -38.665 1.00 1.00 H new ATOM 408 N ILE A 27 -22.718 -13.359 -32.110 1.00 1.00 N ATOM 409 CA ILE A 27 -23.360 -14.257 -31.165 1.00 1.00 C ATOM 410 C ILE A 27 -23.967 -13.440 -30.023 1.00 1.00 C ATOM 411 O ILE A 27 -24.206 -14.013 -28.950 1.00 1.00 O ATOM 412 CB ILE A 27 -22.378 -15.333 -30.697 1.00 1.00 C ATOM 413 CG1 ILE A 27 -21.373 -15.675 -31.799 1.00 1.00 C ATOM 414 CG2 ILE A 27 -23.122 -16.572 -30.195 1.00 1.00 C ATOM 415 CD1 ILE A 27 -20.312 -16.652 -31.288 1.00 1.00 C ATOM 0 H ILE A 27 -22.394 -12.483 -31.701 1.00 1.00 H new ATOM 0 HA ILE A 27 -24.179 -14.792 -31.645 1.00 1.00 H new ATOM 0 HB ILE A 27 -21.810 -14.935 -29.856 1.00 1.00 H new ATOM 0 HG12 ILE A 27 -21.895 -16.112 -32.650 1.00 1.00 H new ATOM 0 HG13 ILE A 27 -20.892 -14.763 -32.154 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -22.401 -17.322 -29.868 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -23.764 -16.297 -29.358 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -23.732 -16.982 -31.000 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -19.610 -16.879 -32.090 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -19.775 -16.202 -30.453 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -20.794 -17.572 -30.957 1.00 1.00 H new ATOM 427 N THR A 28 -24.201 -12.139 -30.272 1.00 1.00 N ATOM 428 CA THR A 28 -24.775 -11.255 -29.272 1.00 1.00 C ATOM 429 C THR A 28 -24.126 -11.538 -27.915 1.00 1.00 C ATOM 430 O THR A 28 -24.810 -12.084 -27.037 1.00 1.00 O ATOM 431 CB THR A 28 -26.294 -11.440 -29.269 1.00 1.00 C ATOM 432 OG1 THR A 28 -26.716 -10.860 -30.500 1.00 1.00 O ATOM 433 CG2 THR A 28 -26.985 -10.591 -28.201 1.00 1.00 C ATOM 0 H THR A 28 -23.997 -11.687 -31.163 1.00 1.00 H new ATOM 0 HA THR A 28 -24.576 -10.208 -29.501 1.00 1.00 H new ATOM 0 HB THR A 28 -26.531 -12.491 -29.106 1.00 1.00 H new ATOM 0 HG1 THR A 28 -27.690 -10.938 -30.582 1.00 1.00 H new ATOM 0 HG21 THR A 28 -28.061 -10.760 -28.242 1.00 1.00 H new ATOM 0 HG22 THR A 28 -26.611 -10.870 -27.216 1.00 1.00 H new ATOM 0 HG23 THR A 28 -26.776 -9.537 -28.383 1.00 1.00 H new ATOM 441 N ARG A 29 -22.841 -11.167 -27.773 1.00 1.00 N ATOM 442 CA ARG A 29 -22.111 -11.379 -26.535 1.00 1.00 C ATOM 443 C ARG A 29 -22.111 -10.085 -25.719 1.00 1.00 C ATOM 444 O ARG A 29 -22.681 -9.090 -26.191 1.00 1.00 O ATOM 445 CB ARG A 29 -20.666 -11.807 -26.799 1.00 1.00 C ATOM 446 CG ARG A 29 -20.611 -13.213 -27.401 1.00 1.00 C ATOM 447 CD ARG A 29 -21.327 -14.222 -26.501 1.00 1.00 C ATOM 448 NE ARG A 29 -21.143 -15.592 -27.030 1.00 1.00 N ATOM 449 CZ ARG A 29 -21.983 -16.619 -26.780 1.00 1.00 C ATOM 450 NH1 ARG A 29 -23.057 -16.406 -26.007 1.00 1.00 N ATOM 451 NH2 ARG A 29 -21.747 -17.832 -27.297 1.00 1.00 N ATOM 0 H ARG A 29 -22.296 -10.719 -28.509 1.00 1.00 H new ATOM 0 HA ARG A 29 -22.607 -12.178 -25.984 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -20.191 -11.098 -27.478 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -20.100 -11.784 -25.868 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -21.073 -13.208 -28.388 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -19.572 -13.514 -27.537 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -20.934 -14.159 -25.486 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -22.389 -13.984 -26.447 1.00 1.00 H new ATOM 0 HE ARG A 29 -20.331 -15.771 -27.620 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -23.229 -15.479 -25.618 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -23.702 -17.171 -25.808 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -20.927 -17.985 -27.885 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -22.387 -18.602 -27.103 1.00 1.00 H new ATOM 465 N TYR A 30 -21.482 -10.122 -24.531 1.00 1.00 N ATOM 466 CA TYR A 30 -21.450 -8.926 -23.706 1.00 1.00 C ATOM 467 C TYR A 30 -20.005 -8.628 -23.302 1.00 1.00 C ATOM 468 O TYR A 30 -19.195 -9.568 -23.299 1.00 1.00 O ATOM 469 CB TYR A 30 -22.361 -9.115 -22.479 1.00 1.00 C ATOM 470 CG TYR A 30 -23.825 -9.369 -22.812 1.00 1.00 C ATOM 471 CD1 TYR A 30 -24.214 -10.562 -23.464 1.00 1.00 C ATOM 472 CD2 TYR A 30 -24.804 -8.406 -22.476 1.00 1.00 C ATOM 473 CE1 TYR A 30 -25.571 -10.791 -23.774 1.00 1.00 C ATOM 474 CE2 TYR A 30 -26.161 -8.635 -22.786 1.00 1.00 C ATOM 475 CZ TYR A 30 -26.547 -9.828 -23.434 1.00 1.00 C ATOM 476 OH TYR A 30 -27.862 -10.047 -23.731 1.00 1.00 O ATOM 0 H TYR A 30 -21.009 -10.938 -24.141 1.00 1.00 H new ATOM 0 HA TYR A 30 -21.827 -8.071 -24.268 1.00 1.00 H new ATOM 0 HB2 TYR A 30 -21.985 -9.951 -21.889 1.00 1.00 H new ATOM 0 HB3 TYR A 30 -22.293 -8.226 -21.852 1.00 1.00 H new ATOM 0 HD1 TYR A 30 -23.470 -11.300 -23.725 1.00 1.00 H new ATOM 0 HD2 TYR A 30 -24.512 -7.492 -21.980 1.00 1.00 H new ATOM 0 HE1 TYR A 30 -25.864 -11.704 -24.272 1.00 1.00 H new ATOM 0 HE2 TYR A 30 -26.905 -7.897 -22.527 1.00 1.00 H new ATOM 0 HH TYR A 30 -28.426 -9.598 -23.068 1.00 1.00 H new ATOM 486 N PHE A 31 -19.710 -7.355 -22.985 1.00 1.00 N ATOM 487 CA PHE A 31 -18.370 -6.949 -22.597 1.00 1.00 C ATOM 488 C PHE A 31 -18.453 -5.685 -21.739 1.00 1.00 C ATOM 489 O PHE A 31 -19.261 -4.803 -22.064 1.00 1.00 O ATOM 490 CB PHE A 31 -17.529 -6.695 -23.864 1.00 1.00 C ATOM 491 CG PHE A 31 -17.747 -5.332 -24.507 1.00 1.00 C ATOM 492 CD1 PHE A 31 -18.892 -5.098 -25.303 1.00 1.00 C ATOM 493 CD2 PHE A 31 -16.811 -4.290 -24.308 1.00 1.00 C ATOM 494 CE1 PHE A 31 -19.098 -3.835 -25.897 1.00 1.00 C ATOM 495 CE2 PHE A 31 -17.018 -3.027 -24.902 1.00 1.00 C ATOM 496 CZ PHE A 31 -18.161 -2.799 -25.697 1.00 1.00 C ATOM 0 H PHE A 31 -20.392 -6.596 -22.993 1.00 1.00 H new ATOM 0 HA PHE A 31 -17.893 -7.736 -22.013 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -16.474 -6.798 -23.610 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -17.758 -7.469 -24.597 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -19.611 -5.889 -25.457 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -15.935 -4.462 -23.700 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -19.973 -3.661 -26.505 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -16.301 -2.234 -24.748 1.00 1.00 H new ATOM 0 HZ PHE A 31 -18.319 -1.832 -26.152 1.00 1.00 H new ATOM 506 N TYR A 32 -17.630 -5.623 -20.677 1.00 1.00 N ATOM 507 CA TYR A 32 -17.664 -4.452 -19.818 1.00 1.00 C ATOM 508 C TYR A 32 -16.959 -3.289 -20.521 1.00 1.00 C ATOM 509 O TYR A 32 -15.729 -3.351 -20.657 1.00 1.00 O ATOM 510 CB TYR A 32 -17.014 -4.780 -18.462 1.00 1.00 C ATOM 511 CG TYR A 32 -17.344 -3.795 -17.348 1.00 1.00 C ATOM 512 CD1 TYR A 32 -16.536 -2.652 -17.153 1.00 1.00 C ATOM 513 CD2 TYR A 32 -18.461 -4.013 -16.509 1.00 1.00 C ATOM 514 CE1 TYR A 32 -16.840 -1.735 -16.125 1.00 1.00 C ATOM 515 CE2 TYR A 32 -18.765 -3.096 -15.480 1.00 1.00 C ATOM 516 CZ TYR A 32 -17.954 -1.956 -15.287 1.00 1.00 C ATOM 517 OH TYR A 32 -18.244 -1.066 -14.292 1.00 1.00 O ATOM 0 H TYR A 32 -16.962 -6.345 -20.409 1.00 1.00 H new ATOM 0 HA TYR A 32 -18.695 -4.157 -19.625 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -17.330 -5.777 -18.154 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -15.932 -4.814 -18.591 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -15.683 -2.480 -17.793 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -19.083 -4.883 -16.656 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -16.220 -0.863 -15.979 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -19.618 -3.266 -14.840 1.00 1.00 H new ATOM 0 HH TYR A 32 -18.974 -0.479 -14.580 1.00 1.00 H new ATOM 527 N ASN A 33 -17.734 -2.279 -20.955 1.00 1.00 N ATOM 528 CA ASN A 33 -17.182 -1.127 -21.646 1.00 1.00 C ATOM 529 C ASN A 33 -16.996 0.020 -20.649 1.00 1.00 C ATOM 530 O ASN A 33 -17.988 0.428 -20.029 1.00 1.00 O ATOM 531 CB ASN A 33 -18.123 -0.644 -22.751 1.00 1.00 C ATOM 532 CG ASN A 33 -17.426 0.371 -23.660 1.00 1.00 C ATOM 533 OD1 ASN A 33 -16.345 0.859 -23.375 1.00 1.00 O ATOM 534 ND2 ASN A 33 -18.103 0.659 -24.768 1.00 1.00 N ATOM 0 H ASN A 33 -18.746 -2.249 -20.833 1.00 1.00 H new ATOM 0 HA ASN A 33 -16.230 -1.423 -22.087 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -18.462 -1.495 -23.342 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -19.009 -0.191 -22.307 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -17.722 1.325 -25.440 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -19.004 0.214 -24.946 1.00 1.00 H new ATOM 541 N ASN A 34 -15.749 0.507 -20.518 1.00 1.00 N ATOM 542 CA ASN A 34 -15.440 1.595 -19.606 1.00 1.00 C ATOM 543 C ASN A 34 -16.099 2.880 -20.110 1.00 1.00 C ATOM 544 O ASN A 34 -16.374 3.765 -19.285 1.00 1.00 O ATOM 545 CB ASN A 34 -13.931 1.837 -19.529 1.00 1.00 C ATOM 546 CG ASN A 34 -13.299 1.807 -20.922 1.00 1.00 C ATOM 547 OD1 ASN A 34 -13.900 2.186 -21.913 1.00 1.00 O ATOM 548 ND2 ASN A 34 -12.055 1.336 -20.941 1.00 1.00 N ATOM 0 H ASN A 34 -14.945 0.156 -21.039 1.00 1.00 H new ATOM 0 HA ASN A 34 -15.813 1.323 -18.618 1.00 1.00 H new ATOM 0 HB2 ASN A 34 -13.737 2.801 -19.059 1.00 1.00 H new ATOM 0 HB3 ASN A 34 -13.469 1.077 -18.900 1.00 1.00 H new ATOM 0 HD21 ASN A 34 -11.546 1.276 -21.823 1.00 1.00 H new ATOM 0 HD22 ASN A 34 -11.610 1.035 -20.074 1.00 1.00 H new ATOM 555 N GLN A 35 -16.336 2.957 -21.431 1.00 1.00 N ATOM 556 CA GLN A 35 -16.957 4.124 -22.036 1.00 1.00 C ATOM 557 C GLN A 35 -18.234 4.473 -21.267 1.00 1.00 C ATOM 558 O GLN A 35 -18.498 5.669 -21.075 1.00 1.00 O ATOM 559 CB GLN A 35 -17.256 3.897 -23.519 1.00 1.00 C ATOM 560 CG GLN A 35 -16.993 5.166 -24.332 1.00 1.00 C ATOM 561 CD GLN A 35 -18.305 5.816 -24.774 1.00 1.00 C ATOM 562 OE1 GLN A 35 -19.391 5.331 -24.500 1.00 1.00 O ATOM 563 NE2 GLN A 35 -18.146 6.937 -25.472 1.00 1.00 N ATOM 0 H GLN A 35 -16.102 2.217 -22.093 1.00 1.00 H new ATOM 0 HA GLN A 35 -16.260 4.960 -21.977 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -16.637 3.083 -23.898 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -18.295 3.591 -23.641 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -16.417 5.872 -23.734 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -16.391 4.923 -25.207 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -17.208 7.288 -25.666 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -18.962 7.445 -25.813 1.00 1.00 H new ATOM 572 N THR A 36 -18.987 3.439 -20.850 1.00 1.00 N ATOM 573 CA THR A 36 -20.222 3.636 -20.110 1.00 1.00 C ATOM 574 C THR A 36 -20.035 3.141 -18.674 1.00 1.00 C ATOM 575 O THR A 36 -20.936 3.365 -17.852 1.00 1.00 O ATOM 576 CB THR A 36 -21.355 2.928 -20.854 1.00 1.00 C ATOM 577 OG1 THR A 36 -20.986 1.552 -20.822 1.00 1.00 O ATOM 578 CG2 THR A 36 -21.382 3.272 -22.345 1.00 1.00 C ATOM 0 H THR A 36 -18.751 2.461 -21.019 1.00 1.00 H new ATOM 0 HA THR A 36 -20.487 4.691 -20.044 1.00 1.00 H new ATOM 0 HB THR A 36 -22.309 3.198 -20.402 1.00 1.00 H new ATOM 0 HG1 THR A 36 -21.793 0.997 -20.821 1.00 1.00 H new ATOM 0 HG21 THR A 36 -22.205 2.743 -22.826 1.00 1.00 H new ATOM 0 HG22 THR A 36 -21.520 4.346 -22.468 1.00 1.00 H new ATOM 0 HG23 THR A 36 -20.440 2.972 -22.805 1.00 1.00 H new ATOM 586 N LYS A 37 -18.890 2.489 -18.406 1.00 1.00 N ATOM 587 CA LYS A 37 -18.592 1.969 -17.083 1.00 1.00 C ATOM 588 C LYS A 37 -19.617 0.892 -16.720 1.00 1.00 C ATOM 589 O LYS A 37 -20.171 0.955 -15.612 1.00 1.00 O ATOM 590 CB LYS A 37 -18.511 3.109 -16.065 1.00 1.00 C ATOM 591 CG LYS A 37 -17.295 3.998 -16.333 1.00 1.00 C ATOM 592 CD LYS A 37 -17.726 5.408 -16.741 1.00 1.00 C ATOM 593 CE LYS A 37 -18.172 6.219 -15.523 1.00 1.00 C ATOM 594 NZ LYS A 37 -17.589 7.570 -15.561 1.00 1.00 N ATOM 0 H LYS A 37 -18.161 2.315 -19.098 1.00 1.00 H new ATOM 0 HA LYS A 37 -17.612 1.493 -17.073 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -19.421 3.708 -16.111 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -18.450 2.698 -15.057 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -16.673 4.048 -15.439 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -16.685 3.558 -17.122 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -16.899 5.916 -17.237 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -18.542 5.349 -17.461 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -19.260 6.286 -15.502 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -17.867 5.710 -14.609 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -17.902 8.107 -14.727 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -16.551 7.501 -15.559 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -17.901 8.059 -16.424 1.00 1.00 H new ATOM 608 N GLN A 38 -19.845 -0.058 -17.644 1.00 1.00 N ATOM 609 CA GLN A 38 -20.794 -1.135 -17.423 1.00 1.00 C ATOM 610 C GLN A 38 -20.596 -2.212 -18.491 1.00 1.00 C ATOM 611 O GLN A 38 -19.502 -2.271 -19.072 1.00 1.00 O ATOM 612 CB GLN A 38 -22.236 -0.623 -17.422 1.00 1.00 C ATOM 613 CG GLN A 38 -23.091 -1.393 -16.414 1.00 1.00 C ATOM 614 CD GLN A 38 -24.538 -1.510 -16.898 1.00 1.00 C ATOM 615 OE1 GLN A 38 -24.849 -2.221 -17.840 1.00 1.00 O ATOM 616 NE2 GLN A 38 -25.402 -0.775 -16.204 1.00 1.00 N ATOM 0 H GLN A 38 -19.377 -0.091 -18.550 1.00 1.00 H new ATOM 0 HA GLN A 38 -20.609 -1.566 -16.439 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -22.248 0.439 -17.178 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -22.663 -0.726 -18.420 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -22.673 -2.388 -16.262 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -23.066 -0.887 -15.449 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -25.075 -0.202 -15.426 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -26.392 -0.785 -16.449 1.00 1.00 H new ATOM 625 N CYS A 39 -21.639 -3.028 -18.726 1.00 1.00 N ATOM 626 CA CYS A 39 -21.578 -4.090 -19.715 1.00 1.00 C ATOM 627 C CYS A 39 -22.373 -3.674 -20.954 1.00 1.00 C ATOM 628 O CYS A 39 -23.524 -3.240 -20.798 1.00 1.00 O ATOM 629 CB CYS A 39 -22.079 -5.414 -19.134 1.00 1.00 C ATOM 630 SG CYS A 39 -20.999 -6.150 -17.871 1.00 1.00 S ATOM 0 H CYS A 39 -22.532 -2.962 -18.237 1.00 1.00 H new ATOM 0 HA CYS A 39 -20.540 -4.251 -20.008 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -23.066 -5.254 -18.699 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -22.202 -6.128 -19.948 1.00 1.00 H new ATOM 0 HG CYS A 39 -20.046 -6.817 -18.451 1.00 1.00 H new ATOM 636 N GLU A 40 -21.755 -3.810 -22.140 1.00 1.00 N ATOM 637 CA GLU A 40 -22.401 -3.450 -23.391 1.00 1.00 C ATOM 638 C GLU A 40 -22.597 -4.709 -24.239 1.00 1.00 C ATOM 639 O GLU A 40 -21.682 -5.544 -24.275 1.00 1.00 O ATOM 640 CB GLU A 40 -21.598 -2.395 -24.155 1.00 1.00 C ATOM 641 CG GLU A 40 -21.402 -1.136 -23.307 1.00 1.00 C ATOM 642 CD GLU A 40 -22.742 -0.461 -23.010 1.00 1.00 C ATOM 643 OE1 GLU A 40 -23.427 -0.838 -22.047 1.00 1.00 O ATOM 644 OE2 GLU A 40 -23.066 0.489 -23.820 1.00 1.00 O ATOM 0 H GLU A 40 -20.806 -4.169 -22.247 1.00 1.00 H new ATOM 0 HA GLU A 40 -23.373 -3.010 -23.169 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -20.627 -2.804 -24.435 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -22.115 -2.138 -25.080 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -20.907 -1.397 -22.372 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -20.748 -0.439 -23.830 1.00 1.00 H new ATOM 651 N ARG A 41 -23.767 -4.817 -24.893 1.00 1.00 N ATOM 652 CA ARG A 41 -24.077 -5.963 -25.732 1.00 1.00 C ATOM 653 C ARG A 41 -23.358 -5.817 -27.074 1.00 1.00 C ATOM 654 O ARG A 41 -23.743 -4.934 -27.856 1.00 1.00 O ATOM 655 CB ARG A 41 -25.582 -6.090 -25.978 1.00 1.00 C ATOM 656 CG ARG A 41 -26.092 -7.469 -25.554 1.00 1.00 C ATOM 657 CD ARG A 41 -27.595 -7.433 -25.269 1.00 1.00 C ATOM 658 NE ARG A 41 -28.297 -8.409 -26.133 1.00 1.00 N ATOM 659 CZ ARG A 41 -29.541 -8.876 -25.891 1.00 1.00 C ATOM 660 NH1 ARG A 41 -30.198 -8.443 -24.807 1.00 1.00 N ATOM 661 NH2 ARG A 41 -30.108 -9.760 -26.723 1.00 1.00 N ATOM 0 H ARG A 41 -24.508 -4.117 -24.849 1.00 1.00 H new ATOM 0 HA ARG A 41 -23.740 -6.861 -25.215 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -26.112 -5.316 -25.423 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -25.797 -5.928 -27.034 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -25.884 -8.195 -26.340 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -25.557 -7.801 -24.664 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -27.780 -7.664 -24.220 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -27.984 -6.431 -25.448 1.00 1.00 H new ATOM 0 HE ARG A 41 -27.811 -8.750 -26.962 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -29.758 -7.770 -24.179 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -31.138 -8.786 -24.610 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -29.600 -10.085 -27.546 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -31.048 -10.108 -26.534 1.00 1.00 H new ATOM 675 N PHE A 42 -22.346 -6.670 -27.312 1.00 1.00 N ATOM 676 CA PHE A 42 -21.584 -6.635 -28.548 1.00 1.00 C ATOM 677 C PHE A 42 -21.550 -8.037 -29.161 1.00 1.00 C ATOM 678 O PHE A 42 -21.417 -9.009 -28.403 1.00 1.00 O ATOM 679 CB PHE A 42 -20.157 -6.134 -28.251 1.00 1.00 C ATOM 680 CG PHE A 42 -19.170 -7.224 -27.856 1.00 1.00 C ATOM 681 CD1 PHE A 42 -19.360 -7.951 -26.657 1.00 1.00 C ATOM 682 CD2 PHE A 42 -18.064 -7.522 -28.685 1.00 1.00 C ATOM 683 CE1 PHE A 42 -18.449 -8.965 -26.291 1.00 1.00 C ATOM 684 CE2 PHE A 42 -17.154 -8.536 -28.318 1.00 1.00 C ATOM 685 CZ PHE A 42 -17.346 -9.257 -27.121 1.00 1.00 C ATOM 0 H PHE A 42 -22.045 -7.390 -26.655 1.00 1.00 H new ATOM 0 HA PHE A 42 -22.052 -5.955 -29.259 1.00 1.00 H new ATOM 0 HB2 PHE A 42 -19.776 -5.620 -29.133 1.00 1.00 H new ATOM 0 HB3 PHE A 42 -20.205 -5.398 -27.449 1.00 1.00 H new ATOM 0 HD1 PHE A 42 -20.204 -7.729 -26.021 1.00 1.00 H new ATOM 0 HD2 PHE A 42 -17.915 -6.972 -29.602 1.00 1.00 H new ATOM 0 HE1 PHE A 42 -18.596 -9.518 -25.375 1.00 1.00 H new ATOM 0 HE2 PHE A 42 -16.310 -8.760 -28.954 1.00 1.00 H new ATOM 0 HZ PHE A 42 -16.649 -10.032 -26.840 1.00 1.00 H new ATOM 695 N LYS A 43 -21.669 -8.112 -30.498 1.00 1.00 N ATOM 696 CA LYS A 43 -21.653 -9.383 -31.202 1.00 1.00 C ATOM 697 C LYS A 43 -20.228 -9.942 -31.204 1.00 1.00 C ATOM 698 O LYS A 43 -19.286 -9.155 -31.376 1.00 1.00 O ATOM 699 CB LYS A 43 -22.254 -9.228 -32.601 1.00 1.00 C ATOM 700 CG LYS A 43 -21.910 -7.862 -33.197 1.00 1.00 C ATOM 701 CD LYS A 43 -23.062 -6.873 -33.002 1.00 1.00 C ATOM 702 CE LYS A 43 -22.613 -5.442 -33.306 1.00 1.00 C ATOM 703 NZ LYS A 43 -23.781 -4.562 -33.477 1.00 1.00 N ATOM 0 H LYS A 43 -21.777 -7.299 -31.104 1.00 1.00 H new ATOM 0 HA LYS A 43 -22.281 -10.111 -30.689 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -21.878 -10.018 -33.252 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -23.337 -9.345 -32.551 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -21.008 -7.472 -32.726 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -21.694 -7.969 -34.260 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -23.893 -7.144 -33.654 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -23.428 -6.933 -31.977 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -21.986 -5.071 -32.495 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -22.005 -5.429 -34.211 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -23.460 -3.595 -33.683 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -24.364 -4.908 -34.266 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -24.346 -4.561 -32.604 1.00 1.00 H new ATOM 717 N TYR A 44 -20.101 -11.267 -31.015 1.00 1.00 N ATOM 718 CA TYR A 44 -18.775 -11.860 -31.001 1.00 1.00 C ATOM 719 C TYR A 44 -18.441 -12.385 -32.399 1.00 1.00 C ATOM 720 O TYR A 44 -19.207 -13.216 -32.907 1.00 1.00 O ATOM 721 CB TYR A 44 -18.712 -12.973 -29.940 1.00 1.00 C ATOM 722 CG TYR A 44 -17.457 -13.833 -30.000 1.00 1.00 C ATOM 723 CD1 TYR A 44 -16.261 -13.302 -30.535 1.00 1.00 C ATOM 724 CD2 TYR A 44 -17.476 -15.163 -29.519 1.00 1.00 C ATOM 725 CE1 TYR A 44 -15.094 -14.094 -30.591 1.00 1.00 C ATOM 726 CE2 TYR A 44 -16.310 -15.955 -29.574 1.00 1.00 C ATOM 727 CZ TYR A 44 -15.118 -15.421 -30.111 1.00 1.00 C ATOM 728 OH TYR A 44 -13.986 -16.185 -30.168 1.00 1.00 O ATOM 0 H TYR A 44 -20.875 -11.917 -30.876 1.00 1.00 H new ATOM 0 HA TYR A 44 -18.030 -11.110 -30.735 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -18.779 -12.519 -28.951 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -19.584 -13.617 -30.055 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -16.240 -12.287 -30.902 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -18.386 -15.574 -29.108 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -14.183 -13.685 -31.001 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -16.329 -16.970 -29.205 1.00 1.00 H new ATOM 0 HH TYR A 44 -14.171 -17.073 -29.796 1.00 1.00 H new ATOM 789 N ASN A 50 -10.466 -11.568 -28.021 1.00 1.00 N ATOM 790 CA ASN A 50 -9.827 -11.012 -26.841 1.00 1.00 C ATOM 791 C ASN A 50 -10.427 -11.656 -25.590 1.00 1.00 C ATOM 792 O ASN A 50 -10.955 -12.772 -25.696 1.00 1.00 O ATOM 793 CB ASN A 50 -10.056 -9.501 -26.752 1.00 1.00 C ATOM 794 CG ASN A 50 -11.483 -9.189 -26.296 1.00 1.00 C ATOM 795 OD1 ASN A 50 -12.409 -9.956 -26.501 1.00 1.00 O ATOM 796 ND2 ASN A 50 -11.607 -8.023 -25.669 1.00 1.00 N ATOM 0 HA ASN A 50 -8.758 -11.212 -26.910 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -9.343 -9.062 -26.054 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -9.873 -9.044 -27.724 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -12.520 -7.723 -25.326 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -10.790 -7.429 -25.531 1.00 1.00 H new ATOM 803 N MET A 51 -10.336 -10.951 -24.447 1.00 1.00 N ATOM 804 CA MET A 51 -10.865 -11.451 -23.190 1.00 1.00 C ATOM 805 C MET A 51 -12.296 -10.942 -23.006 1.00 1.00 C ATOM 806 O MET A 51 -13.230 -11.748 -23.129 1.00 1.00 O ATOM 807 CB MET A 51 -9.999 -10.976 -22.022 1.00 1.00 C ATOM 808 CG MET A 51 -9.004 -12.059 -21.601 1.00 1.00 C ATOM 809 SD MET A 51 -9.375 -12.621 -19.913 1.00 1.00 S ATOM 810 CE MET A 51 -10.762 -13.744 -20.252 1.00 1.00 C ATOM 0 H MET A 51 -9.898 -10.032 -24.381 1.00 1.00 H new ATOM 0 HA MET A 51 -10.859 -12.541 -23.210 1.00 1.00 H new ATOM 0 HB2 MET A 51 -9.460 -10.073 -22.308 1.00 1.00 H new ATOM 0 HB3 MET A 51 -10.635 -10.713 -21.177 1.00 1.00 H new ATOM 0 HG2 MET A 51 -9.055 -12.900 -22.293 1.00 1.00 H new ATOM 0 HG3 MET A 51 -7.987 -11.669 -21.648 1.00 1.00 H new ATOM 0 HE1 MET A 51 -11.114 -14.180 -19.317 1.00 1.00 H new ATOM 0 HE2 MET A 51 -11.573 -13.188 -20.722 1.00 1.00 H new ATOM 0 HE3 MET A 51 -10.432 -14.539 -20.921 1.00 1.00 H new ATOM 820 N ASN A 52 -12.438 -9.635 -22.719 1.00 1.00 N ATOM 821 CA ASN A 52 -13.743 -9.028 -22.521 1.00 1.00 C ATOM 822 C ASN A 52 -14.699 -9.514 -23.612 1.00 1.00 C ATOM 823 O ASN A 52 -14.786 -8.853 -24.657 1.00 1.00 O ATOM 824 CB ASN A 52 -13.660 -7.503 -22.611 1.00 1.00 C ATOM 825 CG ASN A 52 -14.789 -6.844 -21.816 1.00 1.00 C ATOM 826 OD1 ASN A 52 -15.535 -7.489 -21.097 1.00 1.00 O ATOM 827 ND2 ASN A 52 -14.873 -5.528 -21.985 1.00 1.00 N ATOM 0 H ASN A 52 -11.656 -8.988 -22.621 1.00 1.00 H new ATOM 0 HA ASN A 52 -14.100 -9.313 -21.531 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -12.697 -7.165 -22.230 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -13.716 -7.193 -23.655 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -15.594 -4.996 -21.498 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -14.216 -5.050 -22.602 1.00 1.00 H new ATOM 834 N ASN A 53 -15.385 -10.642 -23.353 1.00 1.00 N ATOM 835 CA ASN A 53 -16.324 -11.208 -24.306 1.00 1.00 C ATOM 836 C ASN A 53 -17.207 -12.236 -23.595 1.00 1.00 C ATOM 837 O ASN A 53 -17.025 -13.438 -23.838 1.00 1.00 O ATOM 838 CB ASN A 53 -15.591 -11.921 -25.444 1.00 1.00 C ATOM 839 CG ASN A 53 -16.579 -12.455 -26.483 1.00 1.00 C ATOM 840 OD1 ASN A 53 -17.482 -13.219 -26.183 1.00 1.00 O ATOM 841 ND2 ASN A 53 -16.358 -12.013 -27.717 1.00 1.00 N ATOM 0 H ASN A 53 -15.298 -11.172 -22.486 1.00 1.00 H new ATOM 0 HA ASN A 53 -16.921 -10.394 -24.716 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -14.894 -11.232 -25.920 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -15.001 -12.744 -25.042 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -16.963 -12.312 -28.482 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -15.584 -11.374 -27.899 1.00 1.00 H new ATOM 848 N PHE A 54 -18.131 -11.752 -22.746 1.00 1.00 N ATOM 849 CA PHE A 54 -19.031 -12.623 -22.010 1.00 1.00 C ATOM 850 C PHE A 54 -20.195 -13.029 -22.916 1.00 1.00 C ATOM 851 O PHE A 54 -20.158 -12.694 -24.109 1.00 1.00 O ATOM 852 CB PHE A 54 -19.544 -11.882 -20.760 1.00 1.00 C ATOM 853 CG PHE A 54 -18.450 -11.335 -19.852 1.00 1.00 C ATOM 854 CD1 PHE A 54 -17.905 -10.051 -20.083 1.00 1.00 C ATOM 855 CD2 PHE A 54 -17.969 -12.115 -18.775 1.00 1.00 C ATOM 856 CE1 PHE A 54 -16.888 -9.550 -19.242 1.00 1.00 C ATOM 857 CE2 PHE A 54 -16.952 -11.613 -17.934 1.00 1.00 C ATOM 858 CZ PHE A 54 -16.412 -10.330 -18.168 1.00 1.00 C ATOM 0 H PHE A 54 -18.265 -10.758 -22.560 1.00 1.00 H new ATOM 0 HA PHE A 54 -18.507 -13.524 -21.692 1.00 1.00 H new ATOM 0 HB2 PHE A 54 -20.180 -11.056 -21.079 1.00 1.00 H new ATOM 0 HB3 PHE A 54 -20.171 -12.562 -20.183 1.00 1.00 H new ATOM 0 HD1 PHE A 54 -18.268 -9.452 -20.905 1.00 1.00 H new ATOM 0 HD2 PHE A 54 -18.381 -13.097 -18.595 1.00 1.00 H new ATOM 0 HE1 PHE A 54 -16.474 -8.569 -19.421 1.00 1.00 H new ATOM 0 HE2 PHE A 54 -16.587 -12.211 -17.112 1.00 1.00 H new ATOM 0 HZ PHE A 54 -15.634 -9.946 -17.525 1.00 1.00 H new ATOM 868 N GLU A 55 -21.189 -13.730 -22.342 1.00 1.00 N ATOM 869 CA GLU A 55 -22.351 -14.175 -23.093 1.00 1.00 C ATOM 870 C GLU A 55 -23.606 -13.511 -22.523 1.00 1.00 C ATOM 871 O GLU A 55 -24.496 -13.159 -23.312 1.00 1.00 O ATOM 872 CB GLU A 55 -22.481 -15.699 -23.074 1.00 1.00 C ATOM 873 CG GLU A 55 -21.189 -16.366 -23.551 1.00 1.00 C ATOM 874 CD GLU A 55 -21.474 -17.739 -24.162 1.00 1.00 C ATOM 875 OE1 GLU A 55 -22.586 -18.267 -24.010 1.00 1.00 O ATOM 876 OE2 GLU A 55 -20.491 -18.260 -24.815 1.00 1.00 O ATOM 0 H GLU A 55 -21.200 -13.995 -21.357 1.00 1.00 H new ATOM 0 HA GLU A 55 -22.229 -13.879 -24.135 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -22.716 -16.035 -22.064 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -23.310 -16.005 -23.713 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -20.698 -15.731 -24.288 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -20.500 -16.473 -22.713 1.00 1.00 H new ATOM 883 N THR A 56 -23.652 -13.355 -21.188 1.00 1.00 N ATOM 884 CA THR A 56 -24.788 -12.738 -20.524 1.00 1.00 C ATOM 885 C THR A 56 -24.332 -11.453 -19.830 1.00 1.00 C ATOM 886 O THR A 56 -23.189 -11.415 -19.352 1.00 1.00 O ATOM 887 CB THR A 56 -25.407 -13.759 -19.567 1.00 1.00 C ATOM 888 OG1 THR A 56 -24.317 -14.602 -19.206 1.00 1.00 O ATOM 889 CG2 THR A 56 -26.389 -14.699 -20.269 1.00 1.00 C ATOM 0 H THR A 56 -22.908 -13.652 -20.556 1.00 1.00 H new ATOM 0 HA THR A 56 -25.561 -12.450 -21.236 1.00 1.00 H new ATOM 0 HB THR A 56 -25.920 -13.236 -18.760 1.00 1.00 H new ATOM 0 HG1 THR A 56 -24.629 -15.293 -18.585 1.00 1.00 H new ATOM 0 HG21 THR A 56 -26.799 -15.403 -19.545 1.00 1.00 H new ATOM 0 HG22 THR A 56 -27.199 -14.117 -20.708 1.00 1.00 H new ATOM 0 HG23 THR A 56 -25.869 -15.248 -21.054 1.00 1.00 H new ATOM 897 N LEU A 57 -25.219 -10.443 -19.789 1.00 1.00 N ATOM 898 CA LEU A 57 -24.910 -9.171 -19.159 1.00 1.00 C ATOM 899 C LEU A 57 -24.565 -9.406 -17.687 1.00 1.00 C ATOM 900 O LEU A 57 -23.529 -8.896 -17.235 1.00 1.00 O ATOM 901 CB LEU A 57 -26.052 -8.176 -19.372 1.00 1.00 C ATOM 902 CG LEU A 57 -25.747 -6.719 -19.020 1.00 1.00 C ATOM 903 CD1 LEU A 57 -24.969 -6.034 -20.146 1.00 1.00 C ATOM 904 CD2 LEU A 57 -27.027 -5.960 -18.663 1.00 1.00 C ATOM 0 H LEU A 57 -26.156 -10.495 -20.189 1.00 1.00 H new ATOM 0 HA LEU A 57 -24.034 -8.719 -19.624 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -26.356 -8.220 -20.418 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -26.906 -8.501 -18.778 1.00 1.00 H new ATOM 0 HG LEU A 57 -25.110 -6.708 -18.135 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -24.765 -4.999 -19.870 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -24.027 -6.558 -20.309 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -25.560 -6.056 -21.062 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -26.781 -4.927 -18.417 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -27.710 -5.978 -19.513 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -27.503 -6.434 -17.805 1.00 1.00 H new ATOM 916 N GLU A 58 -25.425 -10.161 -16.980 1.00 1.00 N ATOM 917 CA GLU A 58 -25.212 -10.459 -15.574 1.00 1.00 C ATOM 918 C GLU A 58 -23.851 -11.137 -15.401 1.00 1.00 C ATOM 919 O GLU A 58 -23.182 -10.867 -14.392 1.00 1.00 O ATOM 920 CB GLU A 58 -26.334 -11.331 -15.008 1.00 1.00 C ATOM 921 CG GLU A 58 -26.625 -10.972 -13.550 1.00 1.00 C ATOM 922 CD GLU A 58 -27.578 -11.987 -12.915 1.00 1.00 C ATOM 923 OE1 GLU A 58 -28.811 -11.879 -13.278 1.00 1.00 O ATOM 924 OE2 GLU A 58 -27.143 -12.829 -12.115 1.00 1.00 O ATOM 0 H GLU A 58 -26.273 -10.572 -17.371 1.00 1.00 H new ATOM 0 HA GLU A 58 -25.223 -9.524 -15.013 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -27.237 -11.201 -15.605 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -26.053 -12.382 -15.078 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -25.693 -10.941 -12.986 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -27.062 -9.975 -13.498 1.00 1.00 H new ATOM 931 N GLU A 59 -23.475 -11.988 -16.371 1.00 1.00 N ATOM 932 CA GLU A 59 -22.206 -12.696 -16.326 1.00 1.00 C ATOM 933 C GLU A 59 -21.061 -11.687 -16.433 1.00 1.00 C ATOM 934 O GLU A 59 -20.158 -11.727 -15.584 1.00 1.00 O ATOM 935 CB GLU A 59 -22.112 -13.752 -17.428 1.00 1.00 C ATOM 936 CG GLU A 59 -20.661 -13.953 -17.872 1.00 1.00 C ATOM 937 CD GLU A 59 -19.792 -14.429 -16.706 1.00 1.00 C ATOM 938 OE1 GLU A 59 -20.000 -15.536 -16.189 1.00 1.00 O ATOM 939 OE2 GLU A 59 -18.871 -13.603 -16.341 1.00 1.00 O ATOM 0 H GLU A 59 -24.041 -12.195 -17.194 1.00 1.00 H new ATOM 0 HA GLU A 59 -22.133 -13.224 -15.375 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -22.520 -14.696 -17.068 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -22.718 -13.448 -18.281 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -20.622 -14.683 -18.681 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -20.265 -13.018 -18.267 1.00 1.00 H new ATOM 946 N CYS A 60 -21.118 -10.817 -17.458 1.00 1.00 N ATOM 947 CA CYS A 60 -20.093 -9.810 -17.671 1.00 1.00 C ATOM 948 C CYS A 60 -19.972 -8.939 -16.419 1.00 1.00 C ATOM 949 O CYS A 60 -18.861 -8.467 -16.134 1.00 1.00 O ATOM 950 CB CYS A 60 -20.390 -8.976 -18.920 1.00 1.00 C ATOM 951 SG CYS A 60 -19.426 -7.443 -19.059 1.00 1.00 S ATOM 0 H CYS A 60 -21.870 -10.801 -18.147 1.00 1.00 H new ATOM 0 HA CYS A 60 -19.136 -10.301 -17.845 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -20.202 -9.588 -19.802 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -21.450 -8.724 -18.928 1.00 1.00 H new ATOM 0 HG CYS A 60 -19.870 -6.572 -18.202 1.00 1.00 H new ATOM 957 N LYS A 61 -21.098 -8.745 -15.709 1.00 1.00 N ATOM 958 CA LYS A 61 -21.117 -7.939 -14.500 1.00 1.00 C ATOM 959 C LYS A 61 -20.609 -8.776 -13.325 1.00 1.00 C ATOM 960 O LYS A 61 -19.905 -8.223 -12.467 1.00 1.00 O ATOM 961 CB LYS A 61 -22.508 -7.344 -14.276 1.00 1.00 C ATOM 962 CG LYS A 61 -22.789 -6.215 -15.270 1.00 1.00 C ATOM 963 CD LYS A 61 -23.962 -5.352 -14.802 1.00 1.00 C ATOM 964 CE LYS A 61 -24.297 -4.274 -15.835 1.00 1.00 C ATOM 965 NZ LYS A 61 -25.691 -4.410 -16.288 1.00 1.00 N ATOM 0 H LYS A 61 -22.003 -9.142 -15.962 1.00 1.00 H new ATOM 0 HA LYS A 61 -20.443 -7.088 -14.599 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -23.262 -8.124 -14.383 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -22.585 -6.964 -13.257 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -21.899 -5.595 -15.383 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -23.011 -6.636 -16.251 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -24.836 -5.981 -14.632 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -23.716 -4.883 -13.849 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -24.144 -3.286 -15.401 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -23.622 -4.356 -16.687 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -25.862 -3.762 -17.083 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -25.862 -5.389 -16.596 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -26.335 -4.176 -15.505 1.00 1.00 H new ATOM 979 N ASN A 62 -20.970 -10.072 -13.309 1.00 1.00 N ATOM 980 CA ASN A 62 -20.553 -10.974 -12.248 1.00 1.00 C ATOM 981 C ASN A 62 -19.027 -10.958 -12.140 1.00 1.00 C ATOM 982 O ASN A 62 -18.517 -10.819 -11.019 1.00 1.00 O ATOM 983 CB ASN A 62 -20.992 -12.410 -12.542 1.00 1.00 C ATOM 984 CG ASN A 62 -21.441 -13.119 -11.263 1.00 1.00 C ATOM 985 OD1 ASN A 62 -20.739 -13.162 -10.267 1.00 1.00 O ATOM 986 ND2 ASN A 62 -22.648 -13.672 -11.347 1.00 1.00 N ATOM 0 H ASN A 62 -21.551 -10.508 -14.025 1.00 1.00 H new ATOM 0 HA ASN A 62 -21.015 -10.639 -11.319 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -21.808 -12.404 -13.264 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -20.168 -12.960 -12.997 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -23.038 -14.169 -10.546 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -23.183 -13.599 -12.212 1.00 1.00 H new ATOM 993 N ILE A 63 -18.341 -11.098 -13.289 1.00 1.00 N ATOM 994 CA ILE A 63 -16.889 -11.100 -13.323 1.00 1.00 C ATOM 995 C ILE A 63 -16.378 -9.664 -13.193 1.00 1.00 C ATOM 996 O ILE A 63 -15.544 -9.412 -12.311 1.00 1.00 O ATOM 997 CB ILE A 63 -16.383 -11.822 -14.573 1.00 1.00 C ATOM 998 CG1 ILE A 63 -15.899 -13.233 -14.234 1.00 1.00 C ATOM 999 CG2 ILE A 63 -15.304 -11.000 -15.281 1.00 1.00 C ATOM 1000 CD1 ILE A 63 -16.792 -14.290 -14.886 1.00 1.00 C ATOM 0 H ILE A 63 -18.781 -11.211 -14.202 1.00 1.00 H new ATOM 0 HA ILE A 63 -16.489 -11.659 -12.477 1.00 1.00 H new ATOM 0 HB ILE A 63 -17.216 -11.927 -15.268 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -14.871 -13.360 -14.574 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -15.897 -13.371 -13.153 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -14.961 -11.535 -16.166 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -15.717 -10.036 -15.577 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -14.464 -10.842 -14.604 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -16.426 -15.284 -14.629 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -17.814 -14.175 -14.525 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -16.773 -14.165 -15.969 1.00 1.00 H new ATOM 1012 N CYS A 64 -16.881 -8.765 -14.058 1.00 1.00 N ATOM 1013 CA CYS A 64 -16.478 -7.369 -14.040 1.00 1.00 C ATOM 1014 C CYS A 64 -17.134 -6.670 -12.848 1.00 1.00 C ATOM 1015 O CYS A 64 -16.551 -6.696 -11.754 1.00 1.00 O ATOM 1016 CB CYS A 64 -16.816 -6.680 -15.363 1.00 1.00 C ATOM 1017 SG CYS A 64 -16.110 -7.474 -16.838 1.00 1.00 S ATOM 0 H CYS A 64 -17.569 -8.993 -14.776 1.00 1.00 H new ATOM 0 HA CYS A 64 -15.396 -7.307 -13.925 1.00 1.00 H new ATOM 0 HB2 CYS A 64 -17.900 -6.644 -15.471 1.00 1.00 H new ATOM 0 HB3 CYS A 64 -16.465 -5.649 -15.320 1.00 1.00 H new ATOM 1023 N GLU A 65 -18.315 -6.068 -13.078 1.00 1.00 N ATOM 1024 CA GLU A 65 -19.041 -5.370 -12.031 1.00 1.00 C ATOM 1025 C GLU A 65 -18.724 -6.014 -10.680 1.00 1.00 C ATOM 1026 O GLU A 65 -18.588 -5.277 -9.692 1.00 1.00 O ATOM 1027 CB GLU A 65 -20.547 -5.367 -12.297 1.00 1.00 C ATOM 1028 CG GLU A 65 -20.973 -4.088 -13.022 1.00 1.00 C ATOM 1029 CD GLU A 65 -22.251 -3.510 -12.409 1.00 1.00 C ATOM 1030 OE1 GLU A 65 -22.933 -4.337 -11.691 1.00 1.00 O ATOM 1031 OE2 GLU A 65 -22.560 -2.329 -12.621 1.00 1.00 O ATOM 0 H GLU A 65 -18.778 -6.058 -13.987 1.00 1.00 H new ATOM 0 HA GLU A 65 -18.719 -4.329 -12.018 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -20.816 -6.236 -12.897 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -21.087 -5.452 -11.354 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -20.173 -3.350 -12.966 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -21.136 -4.302 -14.078 1.00 1.00 H new ATOM 1038 N ASP A 66 -18.614 -7.354 -10.663 1.00 1.00 N ATOM 1039 CA ASP A 66 -18.316 -8.087 -9.444 1.00 1.00 C ATOM 1040 C ASP A 66 -19.250 -7.615 -8.329 1.00 1.00 C ATOM 1041 O ASP A 66 -18.869 -7.725 -7.154 1.00 1.00 O ATOM 1042 CB ASP A 66 -16.876 -7.840 -8.991 1.00 1.00 C ATOM 1043 CG ASP A 66 -16.606 -6.444 -8.427 1.00 1.00 C ATOM 1044 OD1 ASP A 66 -17.427 -5.885 -7.685 1.00 1.00 O ATOM 1045 OD2 ASP A 66 -15.483 -5.919 -8.785 1.00 1.00 O ATOM 0 H ASP A 66 -18.729 -7.943 -11.488 1.00 1.00 H new ATOM 0 HA ASP A 66 -18.453 -9.149 -9.647 1.00 1.00 H new ATOM 0 HB2 ASP A 66 -16.618 -8.578 -8.232 1.00 1.00 H new ATOM 0 HB3 ASP A 66 -16.211 -8.008 -9.838 1.00 1.00 H new