USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=17 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 -109:sc= -14.3! USER MOD Set 1.2: A 39 CYS SG : rot -69:sc= -15.5! USER MOD Set 1.3: A 60 CYS SG : rot -77:sc= -12.6! USER MOD Set 1.4: A 64 CYS SG : rot -59:sc= -19.3! USER MOD Set 2.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 53 ASN :FLIP amide:sc= -7.56! C(o=-8.2!,f=-7.6!) USER MOD Single : A 10 LYS NZ :NH3+ -172:sc= -0.58 (180deg=-0.704) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.475 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 165:sc= -2.09! USER MOD Single : A 32 TYR OH : rot 96:sc= 0.222 USER MOD Single : A 33 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.7) USER MOD Single : A 34 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.12) USER MOD Single : A 35 GLN : amide:sc= -0.0732 X(o=-0.073,f=-0.11) USER MOD Single : A 36 THR OG1 : rot -110:sc=-0.00335 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -3.03! C(o=-3!,f=-7.1!) USER MOD Single : A 51 MET CE :methyl -102:sc= -2.16 (180deg=-4.49!) USER MOD Single : A 52 ASN : amide:sc= -3.06! C(o=-3.1!,f=-9.2!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= -4.45! (180deg=-5.81!) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0598 F(o=-1.1,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 -3.823 -3.189 11.703 1.00 1.00 N ATOM 146 CA LYS A 10 -3.802 -2.928 13.132 1.00 1.00 C ATOM 147 C LYS A 10 -5.047 -3.540 13.776 1.00 1.00 C ATOM 148 O LYS A 10 -6.148 -3.336 13.244 1.00 1.00 O ATOM 149 CB LYS A 10 -3.644 -1.430 13.400 1.00 1.00 C ATOM 150 CG LYS A 10 -2.430 -1.156 14.288 1.00 1.00 C ATOM 151 CD LYS A 10 -2.752 -0.102 15.349 1.00 1.00 C ATOM 152 CE LYS A 10 -3.386 -0.743 16.585 1.00 1.00 C ATOM 153 NZ LYS A 10 -3.635 0.271 17.622 1.00 1.00 N ATOM 0 HA LYS A 10 -2.937 -3.404 13.594 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -3.535 -0.898 12.455 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -4.544 -1.046 13.880 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -2.114 -2.080 14.773 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -1.596 -0.816 13.674 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -1.840 0.422 15.634 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -3.431 0.643 14.933 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -4.323 -1.228 16.310 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -2.728 -1.519 16.977 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -3.938 -0.197 18.500 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -2.762 0.808 17.799 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -4.382 0.920 17.301 1.00 1.00 H new ATOM 167 N PRO A 11 -4.852 -4.268 14.891 1.00 1.00 N ATOM 168 CA PRO A 11 -5.927 -4.916 15.624 1.00 1.00 C ATOM 169 C PRO A 11 -7.042 -3.922 15.954 1.00 1.00 C ATOM 170 O PRO A 11 -6.815 -3.038 16.793 1.00 1.00 O ATOM 171 CB PRO A 11 -5.264 -5.498 16.861 1.00 1.00 C ATOM 172 CG PRO A 11 -3.942 -4.762 17.011 1.00 1.00 C ATOM 173 CD PRO A 11 -3.668 -4.026 15.710 1.00 1.00 C ATOM 0 HA PRO A 11 -6.418 -5.699 15.046 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -5.891 -5.359 17.742 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -5.104 -6.570 16.750 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -3.988 -4.060 17.844 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -3.137 -5.464 17.229 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -3.517 -2.960 15.882 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -2.767 -4.402 15.225 1.00 1.00 H new ATOM 181 N ASP A 12 -8.206 -4.083 15.300 1.00 1.00 N ATOM 182 CA ASP A 12 -9.343 -3.207 15.523 1.00 1.00 C ATOM 183 C ASP A 12 -9.802 -3.335 16.977 1.00 1.00 C ATOM 184 O ASP A 12 -10.368 -2.366 17.504 1.00 1.00 O ATOM 185 CB ASP A 12 -10.518 -3.589 14.620 1.00 1.00 C ATOM 186 CG ASP A 12 -11.783 -2.752 14.818 1.00 1.00 C ATOM 187 OD1 ASP A 12 -11.788 -1.770 15.576 1.00 1.00 O ATOM 188 OD2 ASP A 12 -12.810 -3.148 14.145 1.00 1.00 O ATOM 0 H ASP A 12 -8.373 -4.818 14.613 1.00 1.00 H new ATOM 0 HA ASP A 12 -9.032 -2.187 15.298 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -10.202 -3.502 13.581 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -10.763 -4.637 14.792 1.00 1.00 H new ATOM 193 N PHE A 13 -9.554 -4.508 17.585 1.00 1.00 N ATOM 194 CA PHE A 13 -9.940 -4.757 18.964 1.00 1.00 C ATOM 195 C PHE A 13 -9.313 -3.691 19.864 1.00 1.00 C ATOM 196 O PHE A 13 -9.886 -3.403 20.925 1.00 1.00 O ATOM 197 CB PHE A 13 -9.470 -6.166 19.376 1.00 1.00 C ATOM 198 CG PHE A 13 -7.980 -6.278 19.669 1.00 1.00 C ATOM 199 CD1 PHE A 13 -7.416 -5.596 20.773 1.00 1.00 C ATOM 200 CD2 PHE A 13 -7.151 -7.061 18.834 1.00 1.00 C ATOM 201 CE1 PHE A 13 -6.034 -5.699 21.039 1.00 1.00 C ATOM 202 CE2 PHE A 13 -5.769 -7.164 19.101 1.00 1.00 C ATOM 203 CZ PHE A 13 -5.210 -6.483 20.203 1.00 1.00 C ATOM 0 H PHE A 13 -9.086 -5.293 17.133 1.00 1.00 H new ATOM 0 HA PHE A 13 -11.024 -4.706 19.067 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -10.025 -6.475 20.262 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -9.724 -6.866 18.580 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -8.045 -4.995 21.414 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -7.576 -7.582 17.989 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -5.606 -5.178 21.883 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -5.139 -7.764 18.461 1.00 1.00 H new ATOM 0 HZ PHE A 13 -4.152 -6.562 20.407 1.00 1.00 H new ATOM 213 N CYS A 14 -8.167 -3.135 19.432 1.00 1.00 N ATOM 214 CA CYS A 14 -7.472 -2.111 20.193 1.00 1.00 C ATOM 215 C CYS A 14 -8.329 -0.845 20.238 1.00 1.00 C ATOM 216 O CYS A 14 -8.342 -0.178 21.284 1.00 1.00 O ATOM 217 CB CYS A 14 -6.083 -1.839 19.613 1.00 1.00 C ATOM 218 SG CYS A 14 -4.799 -3.019 20.125 1.00 1.00 S ATOM 0 H CYS A 14 -7.711 -3.387 18.555 1.00 1.00 H new ATOM 0 HA CYS A 14 -7.319 -2.462 21.213 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -6.151 -1.847 18.525 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -5.772 -0.836 19.906 1.00 1.00 H new ATOM 0 HG CYS A 14 -3.968 -2.432 20.934 1.00 1.00 H new ATOM 224 N PHE A 15 -9.017 -0.543 19.123 1.00 1.00 N ATOM 225 CA PHE A 15 -9.868 0.632 19.036 1.00 1.00 C ATOM 226 C PHE A 15 -11.241 0.306 19.626 1.00 1.00 C ATOM 227 O PHE A 15 -12.130 1.168 19.563 1.00 1.00 O ATOM 228 CB PHE A 15 -9.993 1.060 17.561 1.00 1.00 C ATOM 229 CG PHE A 15 -8.671 1.152 16.812 1.00 1.00 C ATOM 230 CD1 PHE A 15 -7.579 1.855 17.372 1.00 1.00 C ATOM 231 CD2 PHE A 15 -8.530 0.537 15.546 1.00 1.00 C ATOM 232 CE1 PHE A 15 -6.356 1.941 16.672 1.00 1.00 C ATOM 233 CE2 PHE A 15 -7.307 0.624 14.847 1.00 1.00 C ATOM 234 CZ PHE A 15 -6.220 1.326 15.410 1.00 1.00 C ATOM 0 H PHE A 15 -8.993 -1.106 18.273 1.00 1.00 H new ATOM 0 HA PHE A 15 -9.433 1.455 19.602 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -10.639 0.350 17.044 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -10.487 2.031 17.519 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.681 2.327 18.338 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -9.361 -0.001 15.113 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -5.524 2.478 17.103 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -7.203 0.153 13.881 1.00 1.00 H new ATOM 0 HZ PHE A 15 -5.284 1.392 14.875 1.00 1.00 H new ATOM 244 N LEU A 16 -11.386 -0.912 20.178 1.00 1.00 N ATOM 245 CA LEU A 16 -12.640 -1.344 20.772 1.00 1.00 C ATOM 246 C LEU A 16 -12.739 -0.797 22.198 1.00 1.00 C ATOM 247 O LEU A 16 -11.732 -0.841 22.918 1.00 1.00 O ATOM 248 CB LEU A 16 -12.777 -2.866 20.687 1.00 1.00 C ATOM 249 CG LEU A 16 -14.063 -3.388 20.043 1.00 1.00 C ATOM 250 CD1 LEU A 16 -13.962 -3.362 18.517 1.00 1.00 C ATOM 251 CD2 LEU A 16 -14.413 -4.781 20.570 1.00 1.00 C ATOM 0 H LEU A 16 -10.641 -1.608 20.219 1.00 1.00 H new ATOM 0 HA LEU A 16 -13.485 -0.939 20.215 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -11.928 -3.257 20.126 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -12.707 -3.274 21.695 1.00 1.00 H new ATOM 0 HG LEU A 16 -14.880 -2.723 20.323 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -14.889 -3.738 18.085 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -13.794 -2.339 18.181 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -13.131 -3.991 18.197 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -15.331 -5.129 20.097 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -13.602 -5.472 20.340 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -14.556 -4.736 21.650 1.00 1.00 H new ATOM 263 N GLU A 17 -13.932 -0.300 22.570 1.00 1.00 N ATOM 264 CA GLU A 17 -14.158 0.250 23.896 1.00 1.00 C ATOM 265 C GLU A 17 -13.680 -0.754 24.947 1.00 1.00 C ATOM 266 O GLU A 17 -13.666 -1.958 24.650 1.00 1.00 O ATOM 267 CB GLU A 17 -15.629 0.611 24.112 1.00 1.00 C ATOM 268 CG GLU A 17 -15.874 2.096 23.840 1.00 1.00 C ATOM 269 CD GLU A 17 -16.838 2.690 24.869 1.00 1.00 C ATOM 270 OE1 GLU A 17 -17.987 2.107 24.940 1.00 1.00 O ATOM 271 OE2 GLU A 17 -16.490 3.661 25.557 1.00 1.00 O ATOM 0 H GLU A 17 -14.750 -0.273 21.961 1.00 1.00 H new ATOM 0 HA GLU A 17 -13.587 1.174 23.994 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -16.255 0.009 23.454 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -15.919 0.372 25.135 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -14.927 2.636 23.869 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -16.283 2.223 22.838 1.00 1.00 H new ATOM 278 N GLU A 18 -13.304 -0.249 26.135 1.00 1.00 N ATOM 279 CA GLU A 18 -12.831 -1.095 27.217 1.00 1.00 C ATOM 280 C GLU A 18 -14.012 -1.867 27.809 1.00 1.00 C ATOM 281 O GLU A 18 -15.116 -1.306 27.863 1.00 1.00 O ATOM 282 CB GLU A 18 -12.113 -0.281 28.295 1.00 1.00 C ATOM 283 CG GLU A 18 -13.101 0.227 29.348 1.00 1.00 C ATOM 284 CD GLU A 18 -12.701 1.616 29.850 1.00 1.00 C ATOM 285 OE1 GLU A 18 -12.575 2.553 29.047 1.00 1.00 O ATOM 286 OE2 GLU A 18 -12.521 1.704 31.124 1.00 1.00 O ATOM 0 H GLU A 18 -13.323 0.746 26.359 1.00 1.00 H new ATOM 0 HA GLU A 18 -12.104 -1.801 26.816 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -11.351 -0.896 28.773 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -11.599 0.564 27.836 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -14.104 0.265 28.923 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -13.136 -0.470 30.185 1.00 1.00 H new ATOM 293 N ASP A 19 -13.762 -3.119 28.234 1.00 1.00 N ATOM 294 CA ASP A 19 -14.797 -3.957 28.815 1.00 1.00 C ATOM 295 C ASP A 19 -14.184 -4.832 29.910 1.00 1.00 C ATOM 296 O ASP A 19 -13.482 -5.796 29.570 1.00 1.00 O ATOM 297 CB ASP A 19 -15.415 -4.879 27.762 1.00 1.00 C ATOM 298 CG ASP A 19 -16.841 -5.341 28.064 1.00 1.00 C ATOM 299 OD1 ASP A 19 -17.324 -5.223 29.201 1.00 1.00 O ATOM 300 OD2 ASP A 19 -17.474 -5.849 27.062 1.00 1.00 O ATOM 0 H ASP A 19 -12.845 -3.563 28.180 1.00 1.00 H new ATOM 0 HA ASP A 19 -15.570 -3.305 29.221 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -15.412 -4.363 26.802 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -14.780 -5.758 27.653 1.00 1.00 H new ATOM 305 N PRO A 20 -14.456 -4.486 31.180 1.00 1.00 N ATOM 306 CA PRO A 20 -13.953 -5.211 32.335 1.00 1.00 C ATOM 307 C PRO A 20 -14.769 -6.481 32.583 1.00 1.00 C ATOM 308 O PRO A 20 -14.490 -7.178 33.569 1.00 1.00 O ATOM 309 CB PRO A 20 -14.030 -4.221 33.485 1.00 1.00 C ATOM 310 CG PRO A 20 -15.001 -3.139 33.040 1.00 1.00 C ATOM 311 CD PRO A 20 -15.213 -3.291 31.543 1.00 1.00 C ATOM 0 HA PRO A 20 -12.930 -5.563 32.198 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -14.378 -4.707 34.396 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -13.049 -3.799 33.704 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -15.948 -3.234 33.571 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -14.603 -2.151 33.271 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -16.270 -3.404 31.302 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -14.854 -2.416 31.002 1.00 1.00 H new ATOM 319 N GLY A 21 -15.745 -6.752 31.697 1.00 1.00 N ATOM 320 CA GLY A 21 -16.591 -7.927 31.820 1.00 1.00 C ATOM 321 C GLY A 21 -17.329 -7.881 33.159 1.00 1.00 C ATOM 322 O GLY A 21 -16.659 -7.857 34.202 1.00 1.00 O ATOM 0 H GLY A 21 -15.958 -6.165 30.891 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -17.306 -7.962 30.998 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -15.987 -8.832 31.755 1.00 1.00 H new ATOM 326 N ILE A 22 -18.673 -7.871 33.106 1.00 1.00 N ATOM 327 CA ILE A 22 -19.491 -7.829 34.306 1.00 1.00 C ATOM 328 C ILE A 22 -18.600 -8.033 35.533 1.00 1.00 C ATOM 329 O ILE A 22 -18.425 -7.076 36.301 1.00 1.00 O ATOM 330 CB ILE A 22 -20.641 -8.833 34.207 1.00 1.00 C ATOM 331 CG1 ILE A 22 -20.563 -9.627 32.902 1.00 1.00 C ATOM 332 CG2 ILE A 22 -21.993 -8.137 34.375 1.00 1.00 C ATOM 333 CD1 ILE A 22 -21.549 -10.798 32.913 1.00 1.00 C ATOM 0 H ILE A 22 -19.206 -7.892 32.237 1.00 1.00 H new ATOM 0 HA ILE A 22 -19.961 -6.851 34.412 1.00 1.00 H new ATOM 0 HB ILE A 22 -20.543 -9.547 35.025 1.00 1.00 H new ATOM 0 HG12 ILE A 22 -20.781 -8.971 32.059 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -19.549 -10.002 32.760 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -22.793 -8.873 34.300 1.00 1.00 H new ATOM 0 HG22 ILE A 22 -22.035 -7.654 35.351 1.00 1.00 H new ATOM 0 HG23 ILE A 22 -22.116 -7.387 33.593 1.00 1.00 H new ATOM 0 HD11 ILE A 22 -21.473 -11.346 31.974 1.00 1.00 H new ATOM 0 HD12 ILE A 22 -21.313 -11.465 33.742 1.00 1.00 H new ATOM 0 HD13 ILE A 22 -22.564 -10.418 33.031 1.00 1.00 H new ATOM 345 N CYS A 23 -18.063 -9.257 35.690 1.00 1.00 N ATOM 346 CA CYS A 23 -17.199 -9.580 36.813 1.00 1.00 C ATOM 347 C CYS A 23 -16.389 -8.342 37.201 1.00 1.00 C ATOM 348 O CYS A 23 -16.141 -7.501 36.324 1.00 1.00 O ATOM 349 CB CYS A 23 -16.298 -10.774 36.489 1.00 1.00 C ATOM 350 SG CYS A 23 -16.952 -12.386 37.011 1.00 1.00 S ATOM 0 H CYS A 23 -18.220 -10.032 35.046 1.00 1.00 H new ATOM 0 HA CYS A 23 -17.811 -9.874 37.666 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -16.125 -10.799 35.413 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -15.329 -10.620 36.964 1.00 1.00 H new ATOM 0 HG CYS A 23 -16.111 -13.322 36.685 1.00 1.00 H new ATOM 356 N ARG A 24 -16.001 -8.255 38.486 1.00 1.00 N ATOM 357 CA ARG A 24 -15.227 -7.129 38.981 1.00 1.00 C ATOM 358 C ARG A 24 -13.741 -7.495 38.975 1.00 1.00 C ATOM 359 O ARG A 24 -13.004 -6.953 38.138 1.00 1.00 O ATOM 360 CB ARG A 24 -15.643 -6.741 40.402 1.00 1.00 C ATOM 361 CG ARG A 24 -15.791 -5.224 40.534 1.00 1.00 C ATOM 362 CD ARG A 24 -16.884 -4.866 41.544 1.00 1.00 C ATOM 363 NE ARG A 24 -17.722 -3.767 41.014 1.00 1.00 N ATOM 364 CZ ARG A 24 -18.581 -3.901 39.980 1.00 1.00 C ATOM 365 NH1 ARG A 24 -18.697 -5.095 39.383 1.00 1.00 N ATOM 366 NH2 ARG A 24 -19.306 -2.857 39.558 1.00 1.00 N ATOM 0 H ARG A 24 -16.217 -8.958 39.193 1.00 1.00 H new ATOM 0 HA ARG A 24 -15.414 -6.277 38.327 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -16.586 -7.225 40.654 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -14.900 -7.101 41.114 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -14.843 -4.788 40.849 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -16.033 -4.793 39.563 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -17.502 -5.740 41.748 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -16.433 -4.567 42.490 1.00 1.00 H new ATOM 0 HE ARG A 24 -17.646 -2.851 41.457 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -18.141 -5.885 39.711 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -19.341 -5.214 38.601 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -19.212 -1.952 40.018 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -19.952 -2.967 38.776 1.00 1.00 H new ATOM 380 N GLY A 25 -13.338 -8.392 39.893 1.00 1.00 N ATOM 381 CA GLY A 25 -11.954 -8.823 39.991 1.00 1.00 C ATOM 382 C GLY A 25 -11.061 -7.836 39.236 1.00 1.00 C ATOM 383 O GLY A 25 -10.429 -8.246 38.252 1.00 1.00 O ATOM 0 H GLY A 25 -13.961 -8.826 40.573 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -11.652 -8.878 41.037 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -11.843 -9.824 39.574 1.00 1.00 H new ATOM 387 N TYR A 26 -11.028 -6.575 39.703 1.00 1.00 N ATOM 388 CA TYR A 26 -10.203 -5.588 39.028 1.00 1.00 C ATOM 389 C TYR A 26 -8.736 -6.014 39.110 1.00 1.00 C ATOM 390 O TYR A 26 -8.370 -6.654 40.106 1.00 1.00 O ATOM 391 CB TYR A 26 -10.433 -4.200 39.654 1.00 1.00 C ATOM 392 CG TYR A 26 -11.877 -3.719 39.612 1.00 1.00 C ATOM 393 CD1 TYR A 26 -12.758 -4.213 38.622 1.00 1.00 C ATOM 394 CD2 TYR A 26 -12.348 -2.784 40.562 1.00 1.00 C ATOM 395 CE1 TYR A 26 -14.098 -3.773 38.580 1.00 1.00 C ATOM 396 CE2 TYR A 26 -13.688 -2.344 40.520 1.00 1.00 C ATOM 397 CZ TYR A 26 -14.564 -2.838 39.529 1.00 1.00 C ATOM 398 OH TYR A 26 -15.862 -2.413 39.484 1.00 1.00 O ATOM 0 H TYR A 26 -11.545 -6.235 40.514 1.00 1.00 H new ATOM 0 HA TYR A 26 -10.478 -5.524 37.975 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -10.102 -4.224 40.692 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -9.806 -3.474 39.136 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -12.404 -4.930 37.896 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -11.680 -2.405 41.322 1.00 1.00 H new ATOM 0 HE1 TYR A 26 -14.767 -4.152 37.822 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -14.044 -1.629 41.247 1.00 1.00 H new ATOM 0 HH TYR A 26 -16.021 -1.771 40.207 1.00 1.00 H new ATOM 408 N ILE A 27 -7.943 -5.668 38.080 1.00 1.00 N ATOM 409 CA ILE A 27 -6.535 -6.026 38.039 1.00 1.00 C ATOM 410 C ILE A 27 -5.740 -4.878 37.415 1.00 1.00 C ATOM 411 O ILE A 27 -4.616 -5.122 36.952 1.00 1.00 O ATOM 412 CB ILE A 27 -6.343 -7.366 37.326 1.00 1.00 C ATOM 413 CG1 ILE A 27 -7.447 -8.354 37.709 1.00 1.00 C ATOM 414 CG2 ILE A 27 -4.948 -7.934 37.592 1.00 1.00 C ATOM 415 CD1 ILE A 27 -7.418 -9.587 36.804 1.00 1.00 C ATOM 0 H ILE A 27 -8.265 -5.140 37.269 1.00 1.00 H new ATOM 0 HA ILE A 27 -6.149 -6.170 39.048 1.00 1.00 H new ATOM 0 HB ILE A 27 -6.422 -7.196 36.252 1.00 1.00 H new ATOM 0 HG12 ILE A 27 -7.323 -8.658 38.748 1.00 1.00 H new ATOM 0 HG13 ILE A 27 -8.419 -7.866 37.634 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -4.838 -8.887 37.074 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -4.195 -7.234 37.229 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -4.815 -8.086 38.663 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -8.213 -10.273 37.098 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -7.567 -9.282 35.768 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -6.454 -10.086 36.900 1.00 1.00 H new ATOM 427 N THR A 28 -6.328 -3.668 37.414 1.00 1.00 N ATOM 428 CA THR A 28 -5.678 -2.496 36.852 1.00 1.00 C ATOM 429 C THR A 28 -4.999 -2.878 35.534 1.00 1.00 C ATOM 430 O THR A 28 -3.765 -2.991 35.518 1.00 1.00 O ATOM 431 CB THR A 28 -4.710 -1.928 37.891 1.00 1.00 C ATOM 432 OG1 THR A 28 -5.560 -1.410 38.911 1.00 1.00 O ATOM 433 CG2 THR A 28 -3.953 -0.702 37.378 1.00 1.00 C ATOM 0 H THR A 28 -7.255 -3.488 37.800 1.00 1.00 H new ATOM 0 HA THR A 28 -6.398 -1.712 36.617 1.00 1.00 H new ATOM 0 HB THR A 28 -3.996 -2.699 38.182 1.00 1.00 H new ATOM 0 HG1 THR A 28 -5.014 -1.023 39.627 1.00 1.00 H new ATOM 0 HG21 THR A 28 -3.280 -0.339 38.155 1.00 1.00 H new ATOM 0 HG22 THR A 28 -3.375 -0.974 36.495 1.00 1.00 H new ATOM 0 HG23 THR A 28 -4.664 0.082 37.118 1.00 1.00 H new ATOM 441 N ARG A 29 -5.806 -3.065 34.474 1.00 1.00 N ATOM 442 CA ARG A 29 -5.286 -3.430 33.167 1.00 1.00 C ATOM 443 C ARG A 29 -5.202 -2.179 32.289 1.00 1.00 C ATOM 444 O ARG A 29 -5.512 -1.087 32.787 1.00 1.00 O ATOM 445 CB ARG A 29 -6.173 -4.469 32.478 1.00 1.00 C ATOM 446 CG ARG A 29 -6.150 -5.798 33.236 1.00 1.00 C ATOM 447 CD ARG A 29 -4.752 -6.418 33.214 1.00 1.00 C ATOM 448 NE ARG A 29 -4.762 -7.715 33.926 1.00 1.00 N ATOM 449 CZ ARG A 29 -3.675 -8.272 34.501 1.00 1.00 C ATOM 450 NH1 ARG A 29 -2.503 -7.627 34.435 1.00 1.00 N ATOM 451 NH2 ARG A 29 -3.767 -9.453 35.128 1.00 1.00 N ATOM 0 H ARG A 29 -6.821 -2.966 34.509 1.00 1.00 H new ATOM 0 HA ARG A 29 -4.297 -3.866 33.307 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -7.196 -4.097 32.419 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -5.831 -4.624 31.455 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -6.464 -5.638 34.267 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -6.865 -6.488 32.788 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -4.425 -6.562 32.184 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -4.038 -5.742 33.684 1.00 1.00 H new ATOM 0 HE ARG A 29 -5.646 -8.220 33.986 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -2.441 -6.729 33.956 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -1.672 -8.034 34.864 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -4.663 -9.938 35.173 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -2.941 -9.867 35.560 1.00 1.00 H new ATOM 465 N TYR A 30 -4.791 -2.360 31.021 1.00 1.00 N ATOM 466 CA TYR A 30 -4.686 -1.211 30.137 1.00 1.00 C ATOM 467 C TYR A 30 -5.400 -1.519 28.820 1.00 1.00 C ATOM 468 O TYR A 30 -5.522 -2.707 28.487 1.00 1.00 O ATOM 469 CB TYR A 30 -3.204 -0.857 29.917 1.00 1.00 C ATOM 470 CG TYR A 30 -2.439 -0.521 31.190 1.00 1.00 C ATOM 471 CD1 TYR A 30 -2.224 -1.510 32.178 1.00 1.00 C ATOM 472 CD2 TYR A 30 -1.944 0.787 31.393 1.00 1.00 C ATOM 473 CE1 TYR A 30 -1.517 -1.193 33.357 1.00 1.00 C ATOM 474 CE2 TYR A 30 -1.237 1.104 32.572 1.00 1.00 C ATOM 475 CZ TYR A 30 -1.022 0.114 33.555 1.00 1.00 C ATOM 476 OH TYR A 30 -0.336 0.425 34.695 1.00 1.00 O ATOM 0 H TYR A 30 -4.538 -3.257 30.608 1.00 1.00 H new ATOM 0 HA TYR A 30 -5.168 -0.344 30.588 1.00 1.00 H new ATOM 0 HB2 TYR A 30 -2.713 -1.696 29.424 1.00 1.00 H new ATOM 0 HB3 TYR A 30 -3.144 -0.007 29.237 1.00 1.00 H new ATOM 0 HD1 TYR A 30 -2.602 -2.511 32.029 1.00 1.00 H new ATOM 0 HD2 TYR A 30 -2.108 1.547 30.643 1.00 1.00 H new ATOM 0 HE1 TYR A 30 -1.354 -1.951 34.109 1.00 1.00 H new ATOM 0 HE2 TYR A 30 -0.860 2.105 32.723 1.00 1.00 H new ATOM 0 HH TYR A 30 0.134 1.276 34.572 1.00 1.00 H new ATOM 486 N PHE A 31 -5.858 -0.470 28.114 1.00 1.00 N ATOM 487 CA PHE A 31 -6.561 -0.638 26.854 1.00 1.00 C ATOM 488 C PHE A 31 -6.337 0.599 25.981 1.00 1.00 C ATOM 489 O PHE A 31 -6.181 1.695 26.540 1.00 1.00 O ATOM 490 CB PHE A 31 -8.062 -0.845 27.134 1.00 1.00 C ATOM 491 CG PHE A 31 -8.849 0.440 27.362 1.00 1.00 C ATOM 492 CD1 PHE A 31 -8.681 1.169 28.562 1.00 1.00 C ATOM 493 CD2 PHE A 31 -9.745 0.914 26.376 1.00 1.00 C ATOM 494 CE1 PHE A 31 -9.406 2.362 28.774 1.00 1.00 C ATOM 495 CE2 PHE A 31 -10.468 2.106 26.589 1.00 1.00 C ATOM 496 CZ PHE A 31 -10.299 2.830 27.788 1.00 1.00 C ATOM 0 H PHE A 31 -5.748 0.501 28.406 1.00 1.00 H new ATOM 0 HA PHE A 31 -6.181 -1.511 26.324 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -8.504 -1.382 26.295 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -8.170 -1.482 28.012 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -7.997 0.813 29.318 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -9.876 0.362 25.457 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -9.277 2.916 29.692 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -11.152 2.465 25.834 1.00 1.00 H new ATOM 0 HZ PHE A 31 -10.853 3.742 27.951 1.00 1.00 H new ATOM 506 N TYR A 32 -6.326 0.403 24.651 1.00 1.00 N ATOM 507 CA TYR A 32 -6.114 1.537 23.767 1.00 1.00 C ATOM 508 C TYR A 32 -7.429 2.300 23.598 1.00 1.00 C ATOM 509 O TYR A 32 -8.256 1.862 22.785 1.00 1.00 O ATOM 510 CB TYR A 32 -5.556 1.049 22.417 1.00 1.00 C ATOM 511 CG TYR A 32 -4.968 2.148 21.542 1.00 1.00 C ATOM 512 CD1 TYR A 32 -5.800 2.861 20.649 1.00 1.00 C ATOM 513 CD2 TYR A 32 -3.593 2.466 21.621 1.00 1.00 C ATOM 514 CE1 TYR A 32 -5.260 3.882 19.838 1.00 1.00 C ATOM 515 CE2 TYR A 32 -3.053 3.487 20.811 1.00 1.00 C ATOM 516 CZ TYR A 32 -3.887 4.196 19.918 1.00 1.00 C ATOM 517 OH TYR A 32 -3.368 5.185 19.131 1.00 1.00 O ATOM 0 H TYR A 32 -6.457 -0.497 24.189 1.00 1.00 H new ATOM 0 HA TYR A 32 -5.381 2.219 24.199 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -4.786 0.301 22.606 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -6.355 0.552 21.866 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -6.852 2.624 20.587 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -2.954 1.926 22.304 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -5.898 4.423 19.156 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -2.002 3.727 20.874 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.332 6.022 19.639 1.00 1.00 H new ATOM 527 N ASN A 33 -7.601 3.396 24.357 1.00 1.00 N ATOM 528 CA ASN A 33 -8.812 4.196 24.293 1.00 1.00 C ATOM 529 C ASN A 33 -8.688 5.212 23.156 1.00 1.00 C ATOM 530 O ASN A 33 -7.762 6.036 23.200 1.00 1.00 O ATOM 531 CB ASN A 33 -9.032 4.968 25.596 1.00 1.00 C ATOM 532 CG ASN A 33 -10.513 5.298 25.795 1.00 1.00 C ATOM 533 OD1 ASN A 33 -11.349 5.058 24.939 1.00 1.00 O ATOM 534 ND2 ASN A 33 -10.789 5.860 26.968 1.00 1.00 N ATOM 0 H ASN A 33 -6.907 3.740 25.021 1.00 1.00 H new ATOM 0 HA ASN A 33 -9.653 3.522 24.127 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -8.671 4.377 26.438 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -8.450 5.889 25.580 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -11.749 6.118 27.197 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -10.041 6.033 27.639 1.00 1.00 H new ATOM 541 N ASN A 34 -9.607 5.135 22.177 1.00 1.00 N ATOM 542 CA ASN A 34 -9.600 6.041 21.041 1.00 1.00 C ATOM 543 C ASN A 34 -9.925 7.457 21.522 1.00 1.00 C ATOM 544 O ASN A 34 -9.514 8.416 20.852 1.00 1.00 O ATOM 545 CB ASN A 34 -10.655 5.639 20.009 1.00 1.00 C ATOM 546 CG ASN A 34 -10.872 6.754 18.983 1.00 1.00 C ATOM 547 OD1 ASN A 34 -11.942 7.328 18.869 1.00 1.00 O ATOM 548 ND2 ASN A 34 -9.799 7.026 18.246 1.00 1.00 N ATOM 0 H ASN A 34 -10.361 4.449 22.160 1.00 1.00 H new ATOM 0 HA ASN A 34 -8.612 5.999 20.582 1.00 1.00 H new ATOM 0 HB2 ASN A 34 -10.342 4.727 19.500 1.00 1.00 H new ATOM 0 HB3 ASN A 34 -11.595 5.416 20.513 1.00 1.00 H new ATOM 0 HD21 ASN A 34 -9.841 7.754 17.533 1.00 1.00 H new ATOM 0 HD22 ASN A 34 -8.934 6.507 18.394 1.00 1.00 H new ATOM 555 N GLN A 35 -10.642 7.559 22.655 1.00 1.00 N ATOM 556 CA GLN A 35 -11.016 8.845 23.217 1.00 1.00 C ATOM 557 C GLN A 35 -9.780 9.743 23.292 1.00 1.00 C ATOM 558 O GLN A 35 -9.903 10.941 22.998 1.00 1.00 O ATOM 559 CB GLN A 35 -11.665 8.690 24.594 1.00 1.00 C ATOM 560 CG GLN A 35 -12.906 9.575 24.719 1.00 1.00 C ATOM 561 CD GLN A 35 -14.074 8.998 23.916 1.00 1.00 C ATOM 562 OE1 GLN A 35 -14.401 9.453 22.832 1.00 1.00 O ATOM 563 NE2 GLN A 35 -14.683 7.974 24.507 1.00 1.00 N ATOM 0 H GLN A 35 -10.969 6.756 23.192 1.00 1.00 H new ATOM 0 HA GLN A 35 -11.758 9.308 22.567 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.940 7.648 24.755 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.947 8.954 25.370 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -13.190 9.664 25.768 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -12.678 10.580 24.364 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -14.358 7.643 25.415 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -15.475 7.520 24.052 1.00 1.00 H new ATOM 572 N THR A 36 -8.632 9.157 23.677 1.00 1.00 N ATOM 573 CA THR A 36 -7.388 9.899 23.787 1.00 1.00 C ATOM 574 C THR A 36 -6.412 9.413 22.714 1.00 1.00 C ATOM 575 O THR A 36 -5.340 10.020 22.573 1.00 1.00 O ATOM 576 CB THR A 36 -6.852 9.744 25.212 1.00 1.00 C ATOM 577 OG1 THR A 36 -6.679 8.338 25.367 1.00 1.00 O ATOM 578 CG2 THR A 36 -7.892 10.111 26.272 1.00 1.00 C ATOM 0 H THR A 36 -8.552 8.168 23.915 1.00 1.00 H new ATOM 0 HA THR A 36 -7.539 10.964 23.611 1.00 1.00 H new ATOM 0 HB THR A 36 -5.969 10.371 25.338 1.00 1.00 H new ATOM 0 HG1 THR A 36 -7.346 7.994 25.997 1.00 1.00 H new ATOM 0 HG21 THR A 36 -7.460 9.983 27.265 1.00 1.00 H new ATOM 0 HG22 THR A 36 -8.196 11.149 26.139 1.00 1.00 H new ATOM 0 HG23 THR A 36 -8.762 9.462 26.168 1.00 1.00 H new ATOM 586 N LYS A 37 -6.794 8.345 21.992 1.00 1.00 N ATOM 587 CA LYS A 37 -5.958 7.785 20.944 1.00 1.00 C ATOM 588 C LYS A 37 -4.656 7.267 21.558 1.00 1.00 C ATOM 589 O LYS A 37 -3.583 7.613 21.042 1.00 1.00 O ATOM 590 CB LYS A 37 -5.747 8.807 19.825 1.00 1.00 C ATOM 591 CG LYS A 37 -7.052 9.075 19.074 1.00 1.00 C ATOM 592 CD LYS A 37 -7.494 10.530 19.244 1.00 1.00 C ATOM 593 CE LYS A 37 -6.701 11.456 18.319 1.00 1.00 C ATOM 594 NZ LYS A 37 -7.346 12.776 18.235 1.00 1.00 N ATOM 0 H LYS A 37 -7.681 7.859 22.124 1.00 1.00 H new ATOM 0 HA LYS A 37 -6.451 6.932 20.477 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -5.367 9.738 20.245 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -4.992 8.440 19.130 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -6.918 8.853 18.015 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -7.832 8.409 19.443 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -8.559 10.618 19.027 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -7.353 10.838 20.280 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -5.682 11.566 18.691 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -6.632 11.014 17.325 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -6.795 13.392 17.603 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -8.310 12.668 17.859 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -7.389 13.202 19.183 1.00 1.00 H new ATOM 608 N GLN A 38 -4.773 6.462 22.628 1.00 1.00 N ATOM 609 CA GLN A 38 -3.614 5.904 23.303 1.00 1.00 C ATOM 610 C GLN A 38 -4.077 4.879 24.340 1.00 1.00 C ATOM 611 O GLN A 38 -5.291 4.650 24.442 1.00 1.00 O ATOM 612 CB GLN A 38 -2.763 6.996 23.954 1.00 1.00 C ATOM 613 CG GLN A 38 -1.301 6.885 23.517 1.00 1.00 C ATOM 614 CD GLN A 38 -0.693 8.270 23.280 1.00 1.00 C ATOM 615 OE1 GLN A 38 -0.569 9.084 24.180 1.00 1.00 O ATOM 616 NE2 GLN A 38 -0.322 8.490 22.022 1.00 1.00 N ATOM 0 H GLN A 38 -5.667 6.189 23.037 1.00 1.00 H new ATOM 0 HA GLN A 38 -2.984 5.409 22.564 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -3.154 7.977 23.683 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -2.829 6.915 25.039 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -0.728 6.358 24.280 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -1.234 6.293 22.604 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -0.454 7.765 21.317 1.00 1.00 H new ATOM 0 HE22 GLN A 38 0.095 9.384 21.762 1.00 1.00 H new ATOM 625 N CYS A 39 -3.117 4.291 25.077 1.00 1.00 N ATOM 626 CA CYS A 39 -3.425 3.302 26.095 1.00 1.00 C ATOM 627 C CYS A 39 -3.879 4.013 27.371 1.00 1.00 C ATOM 628 O CYS A 39 -3.275 5.037 27.722 1.00 1.00 O ATOM 629 CB CYS A 39 -2.230 2.381 26.349 1.00 1.00 C ATOM 630 SG CYS A 39 -1.791 1.299 24.956 1.00 1.00 S ATOM 0 H CYS A 39 -2.122 4.493 24.977 1.00 1.00 H new ATOM 0 HA CYS A 39 -4.239 2.667 25.745 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -1.365 2.994 26.602 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -2.446 1.760 27.219 1.00 1.00 H new ATOM 0 HG CYS A 39 -2.718 0.402 24.794 1.00 1.00 H new ATOM 636 N GLU A 40 -4.916 3.466 28.030 1.00 1.00 N ATOM 637 CA GLU A 40 -5.443 4.045 29.254 1.00 1.00 C ATOM 638 C GLU A 40 -5.670 2.934 30.281 1.00 1.00 C ATOM 639 O GLU A 40 -6.153 1.860 29.892 1.00 1.00 O ATOM 640 CB GLU A 40 -6.733 4.826 28.997 1.00 1.00 C ATOM 641 CG GLU A 40 -6.624 5.657 27.717 1.00 1.00 C ATOM 642 CD GLU A 40 -5.767 6.904 27.944 1.00 1.00 C ATOM 643 OE1 GLU A 40 -6.272 7.773 28.753 1.00 1.00 O ATOM 644 OE2 GLU A 40 -4.676 7.020 27.367 1.00 1.00 O ATOM 0 H GLU A 40 -5.399 2.621 27.725 1.00 1.00 H new ATOM 0 HA GLU A 40 -4.715 4.755 29.646 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -7.571 4.134 28.916 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -6.941 5.481 29.843 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -6.188 5.052 26.922 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -7.619 5.951 27.384 1.00 1.00 H new ATOM 651 N ARG A 41 -5.325 3.208 31.552 1.00 1.00 N ATOM 652 CA ARG A 41 -5.491 2.239 32.622 1.00 1.00 C ATOM 653 C ARG A 41 -6.982 2.064 32.919 1.00 1.00 C ATOM 654 O ARG A 41 -7.623 3.048 33.316 1.00 1.00 O ATOM 655 CB ARG A 41 -4.772 2.680 33.898 1.00 1.00 C ATOM 656 CG ARG A 41 -3.636 1.717 34.248 1.00 1.00 C ATOM 657 CD ARG A 41 -2.535 2.430 35.035 1.00 1.00 C ATOM 658 NE ARG A 41 -2.041 1.555 36.122 1.00 1.00 N ATOM 659 CZ ARG A 41 -1.349 1.997 37.194 1.00 1.00 C ATOM 660 NH1 ARG A 41 -1.081 3.305 37.300 1.00 1.00 N ATOM 661 NH2 ARG A 41 -0.936 1.139 38.137 1.00 1.00 N ATOM 0 H ARG A 41 -4.929 4.099 31.852 1.00 1.00 H new ATOM 0 HA ARG A 41 -5.054 1.296 32.295 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -4.373 3.686 33.766 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -5.483 2.725 34.723 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -4.027 0.886 34.835 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -3.219 1.294 33.334 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -1.714 2.695 34.369 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -2.920 3.361 35.453 1.00 1.00 H new ATOM 0 HE ARG A 41 -2.235 0.556 36.057 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -1.399 3.951 36.577 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -0.559 3.655 38.104 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -1.144 0.144 38.048 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -0.414 1.481 38.944 1.00 1.00 H new ATOM 675 N PHE A 42 -7.495 0.836 32.725 1.00 1.00 N ATOM 676 CA PHE A 42 -8.895 0.539 32.970 1.00 1.00 C ATOM 677 C PHE A 42 -9.002 -0.726 33.825 1.00 1.00 C ATOM 678 O PHE A 42 -8.071 -1.544 33.785 1.00 1.00 O ATOM 679 CB PHE A 42 -9.618 0.350 31.622 1.00 1.00 C ATOM 680 CG PHE A 42 -9.540 -1.060 31.052 1.00 1.00 C ATOM 681 CD1 PHE A 42 -8.321 -1.545 30.526 1.00 1.00 C ATOM 682 CD2 PHE A 42 -10.682 -1.895 31.051 1.00 1.00 C ATOM 683 CE1 PHE A 42 -8.245 -2.853 30.001 1.00 1.00 C ATOM 684 CE2 PHE A 42 -10.605 -3.202 30.526 1.00 1.00 C ATOM 685 CZ PHE A 42 -9.387 -3.681 30.000 1.00 1.00 C ATOM 0 H PHE A 42 -6.949 0.039 32.398 1.00 1.00 H new ATOM 0 HA PHE A 42 -9.366 1.363 33.506 1.00 1.00 H new ATOM 0 HB2 PHE A 42 -10.667 0.620 31.746 1.00 1.00 H new ATOM 0 HB3 PHE A 42 -9.194 1.045 30.897 1.00 1.00 H new ATOM 0 HD1 PHE A 42 -7.445 -0.913 30.526 1.00 1.00 H new ATOM 0 HD2 PHE A 42 -11.616 -1.531 31.453 1.00 1.00 H new ATOM 0 HE1 PHE A 42 -7.312 -3.220 29.600 1.00 1.00 H new ATOM 0 HE2 PHE A 42 -11.479 -3.836 30.527 1.00 1.00 H new ATOM 0 HZ PHE A 42 -9.329 -4.681 29.597 1.00 1.00 H new ATOM 695 N LYS A 43 -10.115 -0.858 34.569 1.00 1.00 N ATOM 696 CA LYS A 43 -10.337 -2.012 35.424 1.00 1.00 C ATOM 697 C LYS A 43 -10.577 -3.247 34.554 1.00 1.00 C ATOM 698 O LYS A 43 -10.846 -3.081 33.355 1.00 1.00 O ATOM 699 CB LYS A 43 -11.465 -1.731 36.419 1.00 1.00 C ATOM 700 CG LYS A 43 -10.904 -1.350 37.790 1.00 1.00 C ATOM 701 CD LYS A 43 -10.662 0.158 37.884 1.00 1.00 C ATOM 702 CE LYS A 43 -11.984 0.918 38.010 1.00 1.00 C ATOM 703 NZ LYS A 43 -11.742 2.369 38.050 1.00 1.00 N ATOM 0 H LYS A 43 -10.869 -0.172 34.587 1.00 1.00 H new ATOM 0 HA LYS A 43 -9.453 -2.215 36.028 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -12.094 -0.924 36.043 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -12.099 -2.612 36.514 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -11.599 -1.660 38.570 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -9.970 -1.883 37.966 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -10.030 0.376 38.745 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -10.125 0.500 36.999 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -12.632 0.674 37.168 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -12.505 0.605 38.915 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -12.649 2.870 38.136 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -11.141 2.598 38.867 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -11.264 2.665 37.175 1.00 1.00 H new ATOM 717 N TYR A 44 -10.478 -4.442 35.163 1.00 1.00 N ATOM 718 CA TYR A 44 -10.691 -5.654 34.391 1.00 1.00 C ATOM 719 C TYR A 44 -11.361 -6.707 35.276 1.00 1.00 C ATOM 720 O TYR A 44 -10.884 -6.910 36.402 1.00 1.00 O ATOM 721 CB TYR A 44 -9.350 -6.153 33.822 1.00 1.00 C ATOM 722 CG TYR A 44 -9.464 -7.358 32.900 1.00 1.00 C ATOM 723 CD1 TYR A 44 -10.620 -7.532 32.104 1.00 1.00 C ATOM 724 CD2 TYR A 44 -8.417 -8.306 32.827 1.00 1.00 C ATOM 725 CE1 TYR A 44 -10.729 -8.646 31.245 1.00 1.00 C ATOM 726 CE2 TYR A 44 -8.526 -9.420 31.968 1.00 1.00 C ATOM 727 CZ TYR A 44 -9.683 -9.592 31.176 1.00 1.00 C ATOM 728 OH TYR A 44 -9.793 -10.669 30.344 1.00 1.00 O ATOM 0 H TYR A 44 -10.260 -4.582 36.150 1.00 1.00 H new ATOM 0 HA TYR A 44 -11.351 -5.451 33.548 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -8.876 -5.337 33.276 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -8.690 -6.407 34.651 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -11.422 -6.810 32.154 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -7.531 -8.177 33.431 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.614 -8.775 30.639 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -7.724 -10.142 31.916 1.00 1.00 H new ATOM 0 HH TYR A 44 -8.987 -11.221 30.415 1.00 1.00 H new ATOM 789 N ASN A 50 -13.926 -7.937 27.041 1.00 1.00 N ATOM 790 CA ASN A 50 -13.748 -7.743 25.611 1.00 1.00 C ATOM 791 C ASN A 50 -12.336 -8.179 25.214 1.00 1.00 C ATOM 792 O ASN A 50 -11.739 -8.982 25.945 1.00 1.00 O ATOM 793 CB ASN A 50 -13.913 -6.271 25.230 1.00 1.00 C ATOM 794 CG ASN A 50 -12.713 -5.445 25.699 1.00 1.00 C ATOM 795 OD1 ASN A 50 -11.801 -5.938 26.341 1.00 1.00 O ATOM 796 ND2 ASN A 50 -12.765 -4.165 25.342 1.00 1.00 N ATOM 0 HA ASN A 50 -14.502 -8.336 25.094 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -14.020 -6.181 24.149 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -14.827 -5.877 25.675 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -12.011 -3.531 25.606 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -13.559 -3.817 24.804 1.00 1.00 H new ATOM 803 N MET A 51 -11.839 -7.650 24.082 1.00 1.00 N ATOM 804 CA MET A 51 -10.511 -7.982 23.594 1.00 1.00 C ATOM 805 C MET A 51 -9.507 -6.956 24.123 1.00 1.00 C ATOM 806 O MET A 51 -8.503 -7.368 24.723 1.00 1.00 O ATOM 807 CB MET A 51 -10.489 -7.977 22.065 1.00 1.00 C ATOM 808 CG MET A 51 -10.918 -9.335 21.506 1.00 1.00 C ATOM 809 SD MET A 51 -9.453 -10.345 21.135 1.00 1.00 S ATOM 810 CE MET A 51 -9.021 -9.686 19.498 1.00 1.00 C ATOM 0 H MET A 51 -12.348 -6.990 23.494 1.00 1.00 H new ATOM 0 HA MET A 51 -10.243 -8.978 23.945 1.00 1.00 H new ATOM 0 HB2 MET A 51 -11.154 -7.199 21.691 1.00 1.00 H new ATOM 0 HB3 MET A 51 -9.486 -7.735 21.713 1.00 1.00 H new ATOM 0 HG2 MET A 51 -11.552 -9.851 22.227 1.00 1.00 H new ATOM 0 HG3 MET A 51 -11.512 -9.195 20.603 1.00 1.00 H new ATOM 0 HE1 MET A 51 -9.355 -10.380 18.727 1.00 1.00 H new ATOM 0 HE2 MET A 51 -9.508 -8.721 19.354 1.00 1.00 H new ATOM 0 HE3 MET A 51 -7.940 -9.561 19.430 1.00 1.00 H new ATOM 820 N ASN A 52 -9.792 -5.661 23.894 1.00 1.00 N ATOM 821 CA ASN A 52 -8.920 -4.590 24.344 1.00 1.00 C ATOM 822 C ASN A 52 -8.701 -4.716 25.853 1.00 1.00 C ATOM 823 O ASN A 52 -9.379 -4.006 26.609 1.00 1.00 O ATOM 824 CB ASN A 52 -9.545 -3.220 24.070 1.00 1.00 C ATOM 825 CG ASN A 52 -8.473 -2.129 24.018 1.00 1.00 C ATOM 826 OD1 ASN A 52 -7.303 -2.360 24.274 1.00 1.00 O ATOM 827 ND2 ASN A 52 -8.937 -0.932 23.673 1.00 1.00 N ATOM 0 H ASN A 52 -10.624 -5.343 23.398 1.00 1.00 H new ATOM 0 HA ASN A 52 -7.978 -4.672 23.802 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -10.088 -3.246 23.125 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -10.271 -2.985 24.849 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -8.301 -0.137 23.609 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -9.929 -0.808 23.472 1.00 1.00 H new ATOM 834 N ASN A 53 -7.772 -5.603 26.254 1.00 1.00 N ATOM 835 CA ASN A 53 -7.468 -5.818 27.658 1.00 1.00 C ATOM 836 C ASN A 53 -6.000 -6.223 27.802 1.00 1.00 C ATOM 837 O ASN A 53 -5.682 -7.392 27.542 1.00 1.00 O ATOM 838 CB ASN A 53 -8.328 -6.941 28.242 1.00 1.00 C ATOM 839 CG ASN A 53 -7.618 -7.621 29.414 1.00 1.00 C ATOM 840 OD1 ASN A 53 -6.947 -6.784 30.200 1.00 1.00 O flip ATOM 841 ND2 ASN A 53 -7.676 -8.827 29.594 1.00 1.00 N flip ATOM 0 H ASN A 53 -7.224 -6.178 25.614 1.00 1.00 H new ATOM 0 HA ASN A 53 -7.673 -4.891 28.193 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -9.283 -6.536 28.576 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -8.547 -7.677 27.468 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -8.209 -9.413 28.952 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -7.191 -9.248 30.386 1.00 1.00 H new ATOM 848 N PHE A 54 -5.148 -5.264 28.206 1.00 1.00 N ATOM 849 CA PHE A 54 -3.728 -5.519 28.382 1.00 1.00 C ATOM 850 C PHE A 54 -3.383 -5.454 29.871 1.00 1.00 C ATOM 851 O PHE A 54 -4.209 -4.951 30.646 1.00 1.00 O ATOM 852 CB PHE A 54 -2.922 -4.473 27.587 1.00 1.00 C ATOM 853 CG PHE A 54 -3.187 -4.473 26.087 1.00 1.00 C ATOM 854 CD1 PHE A 54 -2.491 -5.372 25.246 1.00 1.00 C ATOM 855 CD2 PHE A 54 -4.131 -3.582 25.528 1.00 1.00 C ATOM 856 CE1 PHE A 54 -2.737 -5.377 23.856 1.00 1.00 C ATOM 857 CE2 PHE A 54 -4.377 -3.588 24.139 1.00 1.00 C ATOM 858 CZ PHE A 54 -3.679 -4.485 23.302 1.00 1.00 C ATOM 0 H PHE A 54 -5.430 -4.306 28.414 1.00 1.00 H new ATOM 0 HA PHE A 54 -3.475 -6.512 28.010 1.00 1.00 H new ATOM 0 HB2 PHE A 54 -3.148 -3.483 27.982 1.00 1.00 H new ATOM 0 HB3 PHE A 54 -1.859 -4.648 27.755 1.00 1.00 H new ATOM 0 HD1 PHE A 54 -1.770 -6.056 25.668 1.00 1.00 H new ATOM 0 HD2 PHE A 54 -4.666 -2.894 26.166 1.00 1.00 H new ATOM 0 HE1 PHE A 54 -2.204 -6.064 23.216 1.00 1.00 H new ATOM 0 HE2 PHE A 54 -5.100 -2.906 23.716 1.00 1.00 H new ATOM 0 HZ PHE A 54 -3.866 -4.488 22.238 1.00 1.00 H new ATOM 868 N GLU A 55 -2.189 -5.956 30.235 1.00 1.00 N ATOM 869 CA GLU A 55 -1.742 -5.954 31.618 1.00 1.00 C ATOM 870 C GLU A 55 -0.811 -4.762 31.847 1.00 1.00 C ATOM 871 O GLU A 55 -0.955 -4.091 32.879 1.00 1.00 O ATOM 872 CB GLU A 55 -1.052 -7.268 31.986 1.00 1.00 C ATOM 873 CG GLU A 55 -1.999 -8.456 31.802 1.00 1.00 C ATOM 874 CD GLU A 55 -1.558 -9.646 32.657 1.00 1.00 C ATOM 875 OE1 GLU A 55 -0.352 -9.876 32.825 1.00 1.00 O ATOM 876 OE2 GLU A 55 -2.521 -10.345 33.156 1.00 1.00 O ATOM 0 H GLU A 55 -1.523 -6.367 29.580 1.00 1.00 H new ATOM 0 HA GLU A 55 -2.612 -5.860 32.267 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -0.167 -7.404 31.365 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -0.712 -7.227 33.021 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -3.013 -8.163 32.075 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -2.023 -8.747 30.752 1.00 1.00 H new ATOM 883 N THR A 56 0.111 -4.527 30.896 1.00 1.00 N ATOM 884 CA THR A 56 1.054 -3.426 30.994 1.00 1.00 C ATOM 885 C THR A 56 0.772 -2.417 29.879 1.00 1.00 C ATOM 886 O THR A 56 0.365 -2.842 28.788 1.00 1.00 O ATOM 887 CB THR A 56 2.474 -3.995 30.954 1.00 1.00 C ATOM 888 OG1 THR A 56 2.371 -5.126 30.092 1.00 1.00 O ATOM 889 CG2 THR A 56 2.906 -4.588 32.296 1.00 1.00 C ATOM 0 H THR A 56 0.214 -5.093 30.054 1.00 1.00 H new ATOM 0 HA THR A 56 0.946 -2.888 31.936 1.00 1.00 H new ATOM 0 HB THR A 56 3.171 -3.209 30.664 1.00 1.00 H new ATOM 0 HG1 THR A 56 3.248 -5.554 30.008 1.00 1.00 H new ATOM 0 HG21 THR A 56 3.921 -4.977 32.212 1.00 1.00 H new ATOM 0 HG22 THR A 56 2.877 -3.813 33.062 1.00 1.00 H new ATOM 0 HG23 THR A 56 2.229 -5.396 32.571 1.00 1.00 H new ATOM 897 N LEU A 57 0.991 -1.122 30.169 1.00 1.00 N ATOM 898 CA LEU A 57 0.762 -0.066 29.198 1.00 1.00 C ATOM 899 C LEU A 57 1.605 -0.335 27.950 1.00 1.00 C ATOM 900 O LEU A 57 1.041 -0.340 26.846 1.00 1.00 O ATOM 901 CB LEU A 57 1.015 1.305 29.827 1.00 1.00 C ATOM 902 CG LEU A 57 0.680 2.516 28.955 1.00 1.00 C ATOM 903 CD1 LEU A 57 -0.775 2.948 29.152 1.00 1.00 C ATOM 904 CD2 LEU A 57 1.658 3.664 29.211 1.00 1.00 C ATOM 0 H LEU A 57 1.327 -0.793 31.074 1.00 1.00 H new ATOM 0 HA LEU A 57 -0.281 -0.058 28.883 1.00 1.00 H new ATOM 0 HB2 LEU A 57 0.434 1.373 30.747 1.00 1.00 H new ATOM 0 HB3 LEU A 57 2.066 1.365 30.109 1.00 1.00 H new ATOM 0 HG LEU A 57 0.791 2.225 27.910 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -0.987 3.811 28.521 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -1.438 2.127 28.879 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -0.937 3.214 30.196 1.00 1.00 H new ATOM 0 HD21 LEU A 57 1.397 4.512 28.578 1.00 1.00 H new ATOM 0 HD22 LEU A 57 1.603 3.962 30.258 1.00 1.00 H new ATOM 0 HD23 LEU A 57 2.672 3.337 28.979 1.00 1.00 H new ATOM 916 N GLU A 58 2.919 -0.549 28.145 1.00 1.00 N ATOM 917 CA GLU A 58 3.828 -0.816 27.044 1.00 1.00 C ATOM 918 C GLU A 58 3.277 -1.967 26.200 1.00 1.00 C ATOM 919 O GLU A 58 3.388 -1.901 24.967 1.00 1.00 O ATOM 920 CB GLU A 58 5.240 -1.129 27.544 1.00 1.00 C ATOM 921 CG GLU A 58 6.295 -0.463 26.659 1.00 1.00 C ATOM 922 CD GLU A 58 7.707 -0.799 27.143 1.00 1.00 C ATOM 923 OE1 GLU A 58 7.839 -0.882 28.423 1.00 1.00 O ATOM 924 OE2 GLU A 58 8.621 -0.966 26.321 1.00 1.00 O ATOM 0 H GLU A 58 3.364 -0.540 29.063 1.00 1.00 H new ATOM 0 HA GLU A 58 3.901 0.079 26.427 1.00 1.00 H new ATOM 0 HB2 GLU A 58 5.351 -0.783 28.572 1.00 1.00 H new ATOM 0 HB3 GLU A 58 5.396 -2.208 27.553 1.00 1.00 H new ATOM 0 HG2 GLU A 58 6.172 -0.794 25.628 1.00 1.00 H new ATOM 0 HG3 GLU A 58 6.152 0.617 26.666 1.00 1.00 H new ATOM 931 N GLU A 59 2.702 -2.983 26.869 1.00 1.00 N ATOM 932 CA GLU A 59 2.140 -4.135 26.186 1.00 1.00 C ATOM 933 C GLU A 59 0.986 -3.679 25.291 1.00 1.00 C ATOM 934 O GLU A 59 0.924 -4.124 24.135 1.00 1.00 O ATOM 935 CB GLU A 59 1.676 -5.205 27.176 1.00 1.00 C ATOM 936 CG GLU A 59 0.407 -5.900 26.678 1.00 1.00 C ATOM 937 CD GLU A 59 0.664 -6.628 25.357 1.00 1.00 C ATOM 938 OE1 GLU A 59 1.668 -6.354 24.683 1.00 1.00 O ATOM 939 OE2 GLU A 59 -0.224 -7.507 25.037 1.00 1.00 O ATOM 0 H GLU A 59 2.620 -3.018 27.885 1.00 1.00 H new ATOM 0 HA GLU A 59 2.916 -4.589 25.570 1.00 1.00 H new ATOM 0 HB2 GLU A 59 2.467 -5.942 27.318 1.00 1.00 H new ATOM 0 HB3 GLU A 59 1.488 -4.749 28.148 1.00 1.00 H new ATOM 0 HG2 GLU A 59 0.059 -6.611 27.428 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -0.386 -5.164 26.544 1.00 1.00 H new ATOM 946 N CYS A 60 0.110 -2.813 25.832 1.00 1.00 N ATOM 947 CA CYS A 60 -1.029 -2.304 25.087 1.00 1.00 C ATOM 948 C CYS A 60 -0.530 -1.419 23.943 1.00 1.00 C ATOM 949 O CYS A 60 -1.240 -1.304 22.933 1.00 1.00 O ATOM 950 CB CYS A 60 -1.999 -1.558 26.004 1.00 1.00 C ATOM 951 SG CYS A 60 -3.243 -0.552 25.142 1.00 1.00 S ATOM 0 H CYS A 60 0.180 -2.457 26.785 1.00 1.00 H new ATOM 0 HA CYS A 60 -1.584 -3.140 24.661 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -2.513 -2.284 26.634 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -1.425 -0.911 26.667 1.00 1.00 H new ATOM 0 HG CYS A 60 -2.695 0.549 24.721 1.00 1.00 H new ATOM 957 N LYS A 61 0.662 -0.821 24.120 1.00 1.00 N ATOM 958 CA LYS A 61 1.246 0.045 23.110 1.00 1.00 C ATOM 959 C LYS A 61 1.893 -0.814 22.021 1.00 1.00 C ATOM 960 O LYS A 61 1.583 -0.600 20.840 1.00 1.00 O ATOM 961 CB LYS A 61 2.207 1.046 23.754 1.00 1.00 C ATOM 962 CG LYS A 61 1.692 1.497 25.122 1.00 1.00 C ATOM 963 CD LYS A 61 1.709 3.023 25.238 1.00 1.00 C ATOM 964 CE LYS A 61 0.603 3.649 24.387 1.00 1.00 C ATOM 965 NZ LYS A 61 1.112 4.828 23.667 1.00 1.00 N ATOM 0 H LYS A 61 1.232 -0.929 24.959 1.00 1.00 H new ATOM 0 HA LYS A 61 0.473 0.644 22.628 1.00 1.00 H new ATOM 0 HB2 LYS A 61 3.192 0.592 23.864 1.00 1.00 H new ATOM 0 HB3 LYS A 61 2.326 1.912 23.103 1.00 1.00 H new ATOM 0 HG2 LYS A 61 0.677 1.128 25.272 1.00 1.00 H new ATOM 0 HG3 LYS A 61 2.309 1.062 25.908 1.00 1.00 H new ATOM 0 HD2 LYS A 61 1.579 3.314 26.281 1.00 1.00 H new ATOM 0 HD3 LYS A 61 2.679 3.405 24.919 1.00 1.00 H new ATOM 0 HE2 LYS A 61 0.225 2.916 23.675 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -0.234 3.937 25.023 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 0.454 5.078 22.902 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 1.197 5.628 24.326 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 2.046 4.612 23.263 1.00 1.00 H new ATOM 979 N ASN A 62 2.764 -1.753 22.432 1.00 1.00 N ATOM 980 CA ASN A 62 3.445 -2.633 21.498 1.00 1.00 C ATOM 981 C ASN A 62 2.411 -3.318 20.601 1.00 1.00 C ATOM 982 O ASN A 62 2.677 -3.463 19.399 1.00 1.00 O ATOM 983 CB ASN A 62 4.226 -3.722 22.236 1.00 1.00 C ATOM 984 CG ASN A 62 5.301 -4.332 21.336 1.00 1.00 C ATOM 985 OD1 ASN A 62 4.823 -5.136 20.390 1.00 1.00 O flip ATOM 986 ND2 ASN A 62 6.487 -4.089 21.489 1.00 1.00 N flip ATOM 0 H ASN A 62 3.005 -1.913 23.410 1.00 1.00 H new ATOM 0 HA ASN A 62 4.136 -2.029 20.910 1.00 1.00 H new ATOM 0 HB2 ASN A 62 4.690 -3.301 23.128 1.00 1.00 H new ATOM 0 HB3 ASN A 62 3.542 -4.502 22.571 1.00 1.00 H new ATOM 0 HD21 ASN A 62 6.787 -3.462 22.236 1.00 1.00 H new ATOM 0 HD22 ASN A 62 7.178 -4.513 20.870 1.00 1.00 H new ATOM 993 N ILE A 63 1.271 -3.717 21.194 1.00 1.00 N ATOM 994 CA ILE A 63 0.210 -4.379 20.454 1.00 1.00 C ATOM 995 C ILE A 63 -0.598 -3.333 19.684 1.00 1.00 C ATOM 996 O ILE A 63 -0.761 -3.494 18.465 1.00 1.00 O ATOM 997 CB ILE A 63 -0.637 -5.243 21.390 1.00 1.00 C ATOM 998 CG1 ILE A 63 0.095 -6.536 21.757 1.00 1.00 C ATOM 999 CG2 ILE A 63 -2.016 -5.517 20.786 1.00 1.00 C ATOM 1000 CD1 ILE A 63 1.601 -6.295 21.884 1.00 1.00 C ATOM 0 H ILE A 63 1.072 -3.587 22.186 1.00 1.00 H new ATOM 0 HA ILE A 63 0.629 -5.064 19.717 1.00 1.00 H new ATOM 0 HB ILE A 63 -0.795 -4.689 22.315 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -0.295 -6.925 22.697 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -0.093 -7.293 20.996 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -2.598 -6.133 21.472 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -2.534 -4.573 20.618 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -1.900 -6.041 19.837 1.00 1.00 H new ATOM 0 HD11 ILE A 63 2.098 -7.229 22.145 1.00 1.00 H new ATOM 0 HD12 ILE A 63 1.992 -5.929 20.935 1.00 1.00 H new ATOM 0 HD13 ILE A 63 1.787 -5.555 22.662 1.00 1.00 H new ATOM 1012 N CYS A 64 -1.079 -2.299 20.396 1.00 1.00 N ATOM 1013 CA CYS A 64 -1.861 -1.239 19.783 1.00 1.00 C ATOM 1014 C CYS A 64 -0.918 -0.242 19.106 1.00 1.00 C ATOM 1015 O CYS A 64 -0.755 -0.323 17.880 1.00 1.00 O ATOM 1016 CB CYS A 64 -2.770 -0.559 20.809 1.00 1.00 C ATOM 1017 SG CYS A 64 -3.740 -1.698 21.840 1.00 1.00 S ATOM 0 H CYS A 64 -0.933 -2.185 21.399 1.00 1.00 H new ATOM 0 HA CYS A 64 -2.516 -1.667 19.024 1.00 1.00 H new ATOM 0 HB2 CYS A 64 -2.157 0.065 21.459 1.00 1.00 H new ATOM 0 HB3 CYS A 64 -3.455 0.106 20.283 1.00 1.00 H new ATOM 0 HG CYS A 64 -4.500 -2.430 21.081 1.00 1.00 H new ATOM 1023 N GLU A 65 -0.327 0.665 19.904 1.00 1.00 N ATOM 1024 CA GLU A 65 0.589 1.667 19.385 1.00 1.00 C ATOM 1025 C GLU A 65 1.554 1.006 18.399 1.00 1.00 C ATOM 1026 O GLU A 65 2.066 1.709 17.515 1.00 1.00 O ATOM 1027 CB GLU A 65 1.351 2.368 20.511 1.00 1.00 C ATOM 1028 CG GLU A 65 0.702 3.709 20.860 1.00 1.00 C ATOM 1029 CD GLU A 65 1.703 4.857 20.714 1.00 1.00 C ATOM 1030 OE1 GLU A 65 2.623 4.669 19.830 1.00 1.00 O ATOM 1031 OE2 GLU A 65 1.591 5.871 21.420 1.00 1.00 O ATOM 0 H GLU A 65 -0.475 0.715 20.912 1.00 1.00 H new ATOM 0 HA GLU A 65 0.013 2.433 18.867 1.00 1.00 H new ATOM 0 HB2 GLU A 65 1.371 1.729 21.394 1.00 1.00 H new ATOM 0 HB3 GLU A 65 2.386 2.528 20.210 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -0.154 3.883 20.208 1.00 1.00 H new ATOM 0 HG3 GLU A 65 0.324 3.679 21.882 1.00 1.00 H new ATOM 1038 N ASP A 66 1.780 -0.309 18.566 1.00 1.00 N ATOM 1039 CA ASP A 66 2.675 -1.054 17.697 1.00 1.00 C ATOM 1040 C ASP A 66 3.762 -0.116 17.167 1.00 1.00 C ATOM 1041 O ASP A 66 4.771 0.069 17.864 1.00 1.00 O ATOM 1042 CB ASP A 66 1.922 -1.630 16.496 1.00 1.00 C ATOM 1043 CG ASP A 66 0.766 -0.770 15.983 1.00 1.00 C ATOM 1044 OD1 ASP A 66 1.054 0.474 15.795 1.00 1.00 O ATOM 1045 OD2 ASP A 66 -0.352 -1.262 15.772 1.00 1.00 O ATOM 0 H ASP A 66 1.348 -0.869 19.301 1.00 1.00 H new ATOM 0 HA ASP A 66 3.108 -1.869 18.277 1.00 1.00 H new ATOM 0 HB2 ASP A 66 2.630 -1.783 15.682 1.00 1.00 H new ATOM 0 HB3 ASP A 66 1.532 -2.611 16.767 1.00 1.00 H new