USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 565 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 18 GLN : amide:sc= -1.44 K(o=-2.7,f=-4.5!) USER MOD Set 1.2: A 19 SER OG : rot -137:sc= -1.27! USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0.0158 USER MOD Set 2.2: A 50 SER OG : rot -173:sc= 0.0163 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 84:sc= 0.569 USER MOD Single : A 14 MET CE :methyl -177:sc= -8.11! (180deg=-8.11!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 41:sc= 0.7 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -22:sc= -1.3 USER MOD Single : A 34 SER OG : rot 180:sc= -0.542 USER MOD Single : A 35 ASN : amide:sc= -9.17! C(o=-9.2!,f=-11!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= -0.0028 (180deg=-0.147) USER MOD Single : A 48 GLN : amide:sc= -0.308 K(o=-0.31,f=-3.2!) USER MOD Single : A 49 ASN : amide:sc= -0.0835 K(o=-0.084,f=-0.62) USER MOD Single : A 53 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.022) USER MOD Single : A 54 ASN : amide:sc= -7.53! C(o=-7.5!,f=-4.6!) USER MOD Single : A 56 SER OG : rot -35:sc= 1.16 USER MOD Single : A 58 ASN : amide:sc= -5.81! C(o=-5.8!,f=-10!) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.0155 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.331 K(o=-0.33,f=-1.2) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 5.184 6.861 7.538 1.00 1.00 N ATOM 106 CA SER A 7 6.519 7.254 7.955 1.00 1.00 C ATOM 107 C SER A 7 7.439 6.032 7.923 1.00 1.00 C ATOM 108 O SER A 7 6.930 4.916 7.746 1.00 1.00 O ATOM 109 CB SER A 7 6.510 7.875 9.354 1.00 1.00 C ATOM 110 OG SER A 7 6.350 9.290 9.309 1.00 1.00 O ATOM 0 HA SER A 7 6.888 8.011 7.263 1.00 1.00 H new ATOM 0 HB2 SER A 7 5.702 7.437 9.940 1.00 1.00 H new ATOM 0 HB3 SER A 7 7.442 7.632 9.865 1.00 1.00 H new ATOM 0 HG SER A 7 6.348 9.648 10.221 1.00 1.00 H new ATOM 116 N TYR A 8 8.753 6.262 8.092 1.00 1.00 N ATOM 117 CA TYR A 8 9.680 5.144 8.067 1.00 1.00 C ATOM 118 C TYR A 8 9.293 4.142 9.156 1.00 1.00 C ATOM 119 O TYR A 8 9.369 2.933 8.889 1.00 1.00 O ATOM 120 CB TYR A 8 11.124 5.649 8.241 1.00 1.00 C ATOM 121 CG TYR A 8 11.623 6.538 7.109 1.00 1.00 C ATOM 122 CD1 TYR A 8 11.314 7.918 7.094 1.00 1.00 C ATOM 123 CD2 TYR A 8 12.394 5.984 6.062 1.00 1.00 C ATOM 124 CE1 TYR A 8 11.775 8.737 6.042 1.00 1.00 C ATOM 125 CE2 TYR A 8 12.856 6.802 5.010 1.00 1.00 C ATOM 126 CZ TYR A 8 12.547 8.180 4.999 1.00 1.00 C ATOM 127 OH TYR A 8 12.997 8.969 3.979 1.00 1.00 O ATOM 0 H TYR A 8 9.174 7.179 8.241 1.00 1.00 H new ATOM 0 HA TYR A 8 9.627 4.638 7.103 1.00 1.00 H new ATOM 0 HB2 TYR A 8 11.191 6.203 9.178 1.00 1.00 H new ATOM 0 HB3 TYR A 8 11.788 4.789 8.330 1.00 1.00 H new ATOM 0 HD1 TYR A 8 10.723 8.346 7.890 1.00 1.00 H new ATOM 0 HD2 TYR A 8 12.630 4.930 6.068 1.00 1.00 H new ATOM 0 HE1 TYR A 8 11.537 9.791 6.034 1.00 1.00 H new ATOM 0 HE2 TYR A 8 13.446 6.375 4.213 1.00 1.00 H new ATOM 0 HH TYR A 8 13.513 8.425 3.348 1.00 1.00 H new ATOM 137 N ILE A 9 8.902 4.647 10.340 1.00 1.00 N ATOM 138 CA ILE A 9 8.519 3.795 11.453 1.00 1.00 C ATOM 139 C ILE A 9 7.427 2.826 10.995 1.00 1.00 C ATOM 140 O ILE A 9 7.420 1.680 11.467 1.00 1.00 O ATOM 141 CB ILE A 9 8.122 4.641 12.664 1.00 1.00 C ATOM 142 CG1 ILE A 9 6.850 5.442 12.380 1.00 1.00 C ATOM 143 CG2 ILE A 9 9.278 5.540 13.107 1.00 1.00 C ATOM 144 CD1 ILE A 9 5.647 4.834 13.105 1.00 1.00 C ATOM 0 H ILE A 9 8.847 5.646 10.539 1.00 1.00 H new ATOM 0 HA ILE A 9 9.366 3.191 11.779 1.00 1.00 H new ATOM 0 HB ILE A 9 7.901 3.968 13.493 1.00 1.00 H new ATOM 0 HG12 ILE A 9 6.988 6.475 12.699 1.00 1.00 H new ATOM 0 HG13 ILE A 9 6.660 5.462 11.307 1.00 1.00 H new ATOM 0 HG21 ILE A 9 8.970 6.131 13.969 1.00 1.00 H new ATOM 0 HG22 ILE A 9 10.135 4.924 13.377 1.00 1.00 H new ATOM 0 HG23 ILE A 9 9.554 6.207 12.290 1.00 1.00 H new ATOM 0 HD11 ILE A 9 4.755 5.422 12.887 1.00 1.00 H new ATOM 0 HD12 ILE A 9 5.498 3.809 12.766 1.00 1.00 H new ATOM 0 HD13 ILE A 9 5.830 4.838 14.180 1.00 1.00 H new ATOM 156 N ALA A 10 6.540 3.297 10.100 1.00 1.00 N ATOM 157 CA ALA A 10 5.456 2.478 9.586 1.00 1.00 C ATOM 158 C ALA A 10 6.033 1.370 8.702 1.00 1.00 C ATOM 159 O ALA A 10 5.496 0.253 8.730 1.00 1.00 O ATOM 160 CB ALA A 10 4.556 3.323 8.683 1.00 1.00 C ATOM 0 H ALA A 10 6.563 4.245 9.724 1.00 1.00 H new ATOM 0 HA ALA A 10 4.901 2.071 10.431 1.00 1.00 H new ATOM 0 HB1 ALA A 10 3.744 2.706 8.299 1.00 1.00 H new ATOM 0 HB2 ALA A 10 4.142 4.153 9.256 1.00 1.00 H new ATOM 0 HB3 ALA A 10 5.140 3.713 7.850 1.00 1.00 H new ATOM 166 N LEU A 11 7.098 1.696 7.948 1.00 1.00 N ATOM 167 CA LEU A 11 7.740 0.737 7.066 1.00 1.00 C ATOM 168 C LEU A 11 8.495 -0.296 7.905 1.00 1.00 C ATOM 169 O LEU A 11 8.395 -1.493 7.598 1.00 1.00 O ATOM 170 CB LEU A 11 8.617 1.455 6.039 1.00 1.00 C ATOM 171 CG LEU A 11 7.877 2.260 4.970 1.00 1.00 C ATOM 172 CD1 LEU A 11 6.852 1.389 4.240 1.00 1.00 C ATOM 173 CD2 LEU A 11 7.239 3.514 5.570 1.00 1.00 C ATOM 0 H LEU A 11 7.525 2.622 7.940 1.00 1.00 H new ATOM 0 HA LEU A 11 6.993 0.194 6.487 1.00 1.00 H new ATOM 0 HB2 LEU A 11 9.289 2.128 6.572 1.00 1.00 H new ATOM 0 HB3 LEU A 11 9.240 0.712 5.540 1.00 1.00 H new ATOM 0 HG LEU A 11 8.604 2.592 4.229 1.00 1.00 H new ATOM 0 HD11 LEU A 11 6.340 1.985 3.485 1.00 1.00 H new ATOM 0 HD12 LEU A 11 7.361 0.554 3.759 1.00 1.00 H new ATOM 0 HD13 LEU A 11 6.124 1.006 4.956 1.00 1.00 H new ATOM 0 HD21 LEU A 11 6.719 4.068 4.788 1.00 1.00 H new ATOM 0 HD22 LEU A 11 6.528 3.226 6.344 1.00 1.00 H new ATOM 0 HD23 LEU A 11 8.014 4.144 6.006 1.00 1.00 H new ATOM 185 N ILE A 12 9.224 0.179 8.931 1.00 1.00 N ATOM 186 CA ILE A 12 9.987 -0.696 9.804 1.00 1.00 C ATOM 187 C ILE A 12 9.031 -1.646 10.528 1.00 1.00 C ATOM 188 O ILE A 12 9.269 -2.863 10.493 1.00 1.00 O ATOM 189 CB ILE A 12 10.870 0.124 10.747 1.00 1.00 C ATOM 190 CG1 ILE A 12 11.767 1.083 9.962 1.00 1.00 C ATOM 191 CG2 ILE A 12 11.677 -0.787 11.674 1.00 1.00 C ATOM 192 CD1 ILE A 12 12.589 0.330 8.913 1.00 1.00 C ATOM 0 H ILE A 12 9.293 1.169 9.167 1.00 1.00 H new ATOM 0 HA ILE A 12 10.671 -1.313 9.221 1.00 1.00 H new ATOM 0 HB ILE A 12 10.223 0.733 11.378 1.00 1.00 H new ATOM 0 HG12 ILE A 12 11.155 1.842 9.474 1.00 1.00 H new ATOM 0 HG13 ILE A 12 12.435 1.605 10.647 1.00 1.00 H new ATOM 0 HG21 ILE A 12 12.296 -0.179 12.334 1.00 1.00 H new ATOM 0 HG22 ILE A 12 10.996 -1.393 12.272 1.00 1.00 H new ATOM 0 HG23 ILE A 12 12.315 -1.440 11.078 1.00 1.00 H new ATOM 0 HD11 ILE A 12 13.218 1.035 8.369 1.00 1.00 H new ATOM 0 HD12 ILE A 12 13.218 -0.411 9.407 1.00 1.00 H new ATOM 0 HD13 ILE A 12 11.918 -0.170 8.215 1.00 1.00 H new ATOM 204 N THR A 13 7.986 -1.083 11.161 1.00 1.00 N ATOM 205 CA THR A 13 7.006 -1.875 11.885 1.00 1.00 C ATOM 206 C THR A 13 6.700 -3.148 11.093 1.00 1.00 C ATOM 207 O THR A 13 6.601 -4.218 11.711 1.00 1.00 O ATOM 208 CB THR A 13 5.772 -1.009 12.143 1.00 1.00 C ATOM 209 OG1 THR A 13 6.146 -0.194 13.251 1.00 1.00 O ATOM 210 CG2 THR A 13 4.584 -1.821 12.663 1.00 1.00 C ATOM 0 H THR A 13 7.808 -0.079 11.179 1.00 1.00 H new ATOM 0 HA THR A 13 7.387 -2.195 12.855 1.00 1.00 H new ATOM 0 HB THR A 13 5.488 -0.499 11.222 1.00 1.00 H new ATOM 0 HG1 THR A 13 6.640 0.589 12.929 1.00 1.00 H new ATOM 0 HG21 THR A 13 3.735 -1.158 12.829 1.00 1.00 H new ATOM 0 HG22 THR A 13 4.313 -2.580 11.929 1.00 1.00 H new ATOM 0 HG23 THR A 13 4.856 -2.304 13.601 1.00 1.00 H new ATOM 218 N MET A 14 6.558 -3.010 9.762 1.00 1.00 N ATOM 219 CA MET A 14 6.266 -4.141 8.898 1.00 1.00 C ATOM 220 C MET A 14 7.557 -4.915 8.624 1.00 1.00 C ATOM 221 O MET A 14 7.497 -6.151 8.542 1.00 1.00 O ATOM 222 CB MET A 14 5.669 -3.658 7.574 1.00 1.00 C ATOM 223 CG MET A 14 5.066 -4.824 6.788 1.00 1.00 C ATOM 224 SD MET A 14 4.275 -4.208 5.272 1.00 1.00 S ATOM 225 CE MET A 14 5.426 -4.862 4.028 1.00 1.00 C ATOM 0 H MET A 14 6.643 -2.119 9.272 1.00 1.00 H new ATOM 0 HA MET A 14 5.544 -4.790 9.394 1.00 1.00 H new ATOM 0 HB2 MET A 14 4.901 -2.910 7.769 1.00 1.00 H new ATOM 0 HB3 MET A 14 6.442 -3.173 6.977 1.00 1.00 H new ATOM 0 HG2 MET A 14 5.844 -5.544 6.535 1.00 1.00 H new ATOM 0 HG3 MET A 14 4.334 -5.348 7.403 1.00 1.00 H new ATOM 0 HE1 MET A 14 5.118 -4.530 3.037 1.00 1.00 H new ATOM 0 HE2 MET A 14 6.432 -4.498 4.236 1.00 1.00 H new ATOM 0 HE3 MET A 14 5.420 -5.951 4.064 1.00 1.00 H new ATOM 235 N ALA A 15 8.679 -4.186 8.490 1.00 1.00 N ATOM 236 CA ALA A 15 9.970 -4.801 8.229 1.00 1.00 C ATOM 237 C ALA A 15 10.362 -5.679 9.418 1.00 1.00 C ATOM 238 O ALA A 15 10.561 -6.887 9.219 1.00 1.00 O ATOM 239 CB ALA A 15 11.044 -3.717 8.123 1.00 1.00 C ATOM 0 H ALA A 15 8.706 -3.169 8.560 1.00 1.00 H new ATOM 0 HA ALA A 15 9.897 -5.379 7.308 1.00 1.00 H new ATOM 0 HB1 ALA A 15 12.011 -4.181 7.927 1.00 1.00 H new ATOM 0 HB2 ALA A 15 10.796 -3.037 7.308 1.00 1.00 H new ATOM 0 HB3 ALA A 15 11.092 -3.159 9.058 1.00 1.00 H new ATOM 245 N ILE A 16 10.464 -5.067 10.611 1.00 1.00 N ATOM 246 CA ILE A 16 10.829 -5.788 11.819 1.00 1.00 C ATOM 247 C ILE A 16 9.887 -6.981 11.999 1.00 1.00 C ATOM 248 O ILE A 16 10.359 -8.045 12.425 1.00 1.00 O ATOM 249 CB ILE A 16 10.859 -4.842 13.020 1.00 1.00 C ATOM 250 CG1 ILE A 16 11.510 -5.514 14.231 1.00 1.00 C ATOM 251 CG2 ILE A 16 9.458 -4.316 13.340 1.00 1.00 C ATOM 252 CD1 ILE A 16 13.024 -5.632 14.045 1.00 1.00 C ATOM 0 H ILE A 16 10.296 -4.071 10.753 1.00 1.00 H new ATOM 0 HA ILE A 16 11.839 -6.188 11.733 1.00 1.00 H new ATOM 0 HB ILE A 16 11.474 -3.980 12.761 1.00 1.00 H new ATOM 0 HG12 ILE A 16 11.294 -4.938 15.131 1.00 1.00 H new ATOM 0 HG13 ILE A 16 11.080 -6.505 14.377 1.00 1.00 H new ATOM 0 HG21 ILE A 16 9.508 -3.646 14.198 1.00 1.00 H new ATOM 0 HG22 ILE A 16 9.067 -3.774 12.479 1.00 1.00 H new ATOM 0 HG23 ILE A 16 8.799 -5.153 13.571 1.00 1.00 H new ATOM 0 HD11 ILE A 16 13.462 -6.113 14.920 1.00 1.00 H new ATOM 0 HD12 ILE A 16 13.236 -6.229 13.158 1.00 1.00 H new ATOM 0 HD13 ILE A 16 13.454 -4.638 13.924 1.00 1.00 H new ATOM 264 N LEU A 17 8.596 -6.783 11.677 1.00 1.00 N ATOM 265 CA LEU A 17 7.601 -7.834 11.803 1.00 1.00 C ATOM 266 C LEU A 17 7.974 -8.996 10.880 1.00 1.00 C ATOM 267 O LEU A 17 7.808 -10.153 11.293 1.00 1.00 O ATOM 268 CB LEU A 17 6.198 -7.277 11.555 1.00 1.00 C ATOM 269 CG LEU A 17 5.289 -7.178 12.781 1.00 1.00 C ATOM 270 CD1 LEU A 17 5.953 -6.363 13.892 1.00 1.00 C ATOM 271 CD2 LEU A 17 3.916 -6.618 12.402 1.00 1.00 C ATOM 0 H LEU A 17 8.228 -5.898 11.328 1.00 1.00 H new ATOM 0 HA LEU A 17 7.587 -8.226 12.820 1.00 1.00 H new ATOM 0 HB2 LEU A 17 6.295 -6.283 11.118 1.00 1.00 H new ATOM 0 HB3 LEU A 17 5.706 -7.905 10.812 1.00 1.00 H new ATOM 0 HG LEU A 17 5.131 -8.184 13.170 1.00 1.00 H new ATOM 0 HD11 LEU A 17 5.285 -6.308 14.752 1.00 1.00 H new ATOM 0 HD12 LEU A 17 6.886 -6.843 14.187 1.00 1.00 H new ATOM 0 HD13 LEU A 17 6.161 -5.356 13.530 1.00 1.00 H new ATOM 0 HD21 LEU A 17 3.289 -6.558 13.292 1.00 1.00 H new ATOM 0 HD22 LEU A 17 4.035 -5.623 11.974 1.00 1.00 H new ATOM 0 HD23 LEU A 17 3.445 -7.274 11.670 1.00 1.00 H new ATOM 283 N GLN A 18 8.461 -8.671 9.670 1.00 1.00 N ATOM 284 CA GLN A 18 8.852 -9.680 8.700 1.00 1.00 C ATOM 285 C GLN A 18 9.767 -10.703 9.377 1.00 1.00 C ATOM 286 O GLN A 18 9.825 -11.847 8.903 1.00 1.00 O ATOM 287 CB GLN A 18 9.535 -9.055 7.482 1.00 1.00 C ATOM 288 CG GLN A 18 11.042 -8.913 7.711 1.00 1.00 C ATOM 289 CD GLN A 18 11.809 -10.043 7.023 1.00 1.00 C ATOM 290 OE1 GLN A 18 11.770 -11.193 7.429 1.00 1.00 O ATOM 291 NE2 GLN A 18 12.508 -9.654 5.960 1.00 1.00 N ATOM 0 H GLN A 18 8.589 -7.711 9.350 1.00 1.00 H new ATOM 0 HA GLN A 18 7.955 -10.182 8.337 1.00 1.00 H new ATOM 0 HB2 GLN A 18 9.354 -9.673 6.602 1.00 1.00 H new ATOM 0 HB3 GLN A 18 9.100 -8.076 7.279 1.00 1.00 H new ATOM 0 HG2 GLN A 18 11.383 -7.951 7.328 1.00 1.00 H new ATOM 0 HG3 GLN A 18 11.254 -8.923 8.780 1.00 1.00 H new ATOM 0 HE21 GLN A 18 12.498 -8.675 5.673 1.00 1.00 H new ATOM 0 HE22 GLN A 18 13.054 -10.335 5.432 1.00 1.00 H new ATOM 300 N SER A 19 10.453 -10.279 10.454 1.00 1.00 N ATOM 301 CA SER A 19 11.354 -11.153 11.185 1.00 1.00 C ATOM 302 C SER A 19 10.813 -11.367 12.600 1.00 1.00 C ATOM 303 O SER A 19 11.261 -10.661 13.516 1.00 1.00 O ATOM 304 CB SER A 19 12.771 -10.576 11.240 1.00 1.00 C ATOM 305 OG SER A 19 13.289 -10.308 9.940 1.00 1.00 O ATOM 0 H SER A 19 10.392 -9.332 10.829 1.00 1.00 H new ATOM 0 HA SER A 19 11.409 -12.109 10.664 1.00 1.00 H new ATOM 0 HB2 SER A 19 12.765 -9.656 11.825 1.00 1.00 H new ATOM 0 HB3 SER A 19 13.428 -11.277 11.755 1.00 1.00 H new ATOM 0 HG SER A 19 14.220 -10.611 9.890 1.00 1.00 H new ATOM 311 N PRO A 20 9.877 -12.321 12.749 1.00 1.00 N ATOM 312 CA PRO A 20 9.262 -12.650 14.024 1.00 1.00 C ATOM 313 C PRO A 20 10.223 -13.448 14.906 1.00 1.00 C ATOM 314 O PRO A 20 9.771 -14.003 15.918 1.00 1.00 O ATOM 315 CB PRO A 20 8.003 -13.423 13.665 1.00 1.00 C ATOM 316 CG PRO A 20 8.200 -13.900 12.235 1.00 1.00 C ATOM 317 CD PRO A 20 9.373 -13.134 11.646 1.00 1.00 C ATOM 0 HA PRO A 20 9.016 -11.767 14.614 1.00 1.00 H new ATOM 0 HB2 PRO A 20 7.856 -14.265 14.341 1.00 1.00 H new ATOM 0 HB3 PRO A 20 7.119 -12.790 13.747 1.00 1.00 H new ATOM 0 HG2 PRO A 20 8.395 -14.972 12.214 1.00 1.00 H new ATOM 0 HG3 PRO A 20 7.298 -13.728 11.648 1.00 1.00 H new ATOM 0 HD2 PRO A 20 10.140 -13.812 11.271 1.00 1.00 H new ATOM 0 HD3 PRO A 20 9.059 -12.513 10.807 1.00 1.00 H new ATOM 325 N GLN A 21 11.509 -13.489 14.513 1.00 1.00 N ATOM 326 CA GLN A 21 12.521 -14.213 15.264 1.00 1.00 C ATOM 327 C GLN A 21 13.463 -13.213 15.937 1.00 1.00 C ATOM 328 O GLN A 21 13.299 -12.967 17.141 1.00 1.00 O ATOM 329 CB GLN A 21 13.297 -15.182 14.370 1.00 1.00 C ATOM 330 CG GLN A 21 13.171 -16.619 14.880 1.00 1.00 C ATOM 331 CD GLN A 21 12.210 -17.428 14.006 1.00 1.00 C ATOM 332 OE1 GLN A 21 12.583 -18.002 12.996 1.00 1.00 O ATOM 333 NE2 GLN A 21 10.957 -17.441 14.449 1.00 1.00 N ATOM 0 H GLN A 21 11.861 -13.024 13.676 1.00 1.00 H new ATOM 0 HA GLN A 21 12.027 -14.813 16.029 1.00 1.00 H new ATOM 0 HB2 GLN A 21 12.921 -15.121 13.349 1.00 1.00 H new ATOM 0 HB3 GLN A 21 14.348 -14.893 14.341 1.00 1.00 H new ATOM 0 HG2 GLN A 21 14.152 -17.094 14.885 1.00 1.00 H new ATOM 0 HG3 GLN A 21 12.814 -16.613 15.910 1.00 1.00 H new ATOM 0 HE21 GLN A 21 10.713 -16.939 15.302 1.00 1.00 H new ATOM 0 HE22 GLN A 21 10.240 -17.953 13.936 1.00 1.00 H new ATOM 342 N LYS A 22 14.415 -12.666 15.160 1.00 1.00 N ATOM 343 CA LYS A 22 15.372 -11.703 15.678 1.00 1.00 C ATOM 344 C LYS A 22 16.546 -11.583 14.705 1.00 1.00 C ATOM 345 O LYS A 22 17.698 -11.651 15.159 1.00 1.00 O ATOM 346 CB LYS A 22 15.789 -12.075 17.102 1.00 1.00 C ATOM 347 CG LYS A 22 16.080 -13.573 17.214 1.00 1.00 C ATOM 348 CD LYS A 22 15.552 -14.137 18.535 1.00 1.00 C ATOM 349 CE LYS A 22 15.196 -15.618 18.396 1.00 1.00 C ATOM 350 NZ LYS A 22 14.667 -16.143 19.665 1.00 1.00 N ATOM 0 H LYS A 22 14.533 -12.883 14.170 1.00 1.00 H new ATOM 0 HA LYS A 22 14.917 -10.715 15.752 1.00 1.00 H new ATOM 0 HB2 LYS A 22 16.675 -11.507 17.386 1.00 1.00 H new ATOM 0 HB3 LYS A 22 14.998 -11.801 17.800 1.00 1.00 H new ATOM 0 HG2 LYS A 22 15.618 -14.100 16.379 1.00 1.00 H new ATOM 0 HG3 LYS A 22 17.154 -13.745 17.145 1.00 1.00 H new ATOM 0 HD2 LYS A 22 16.304 -14.012 19.314 1.00 1.00 H new ATOM 0 HD3 LYS A 22 14.672 -13.576 18.848 1.00 1.00 H new ATOM 0 HE2 LYS A 22 14.457 -15.748 17.606 1.00 1.00 H new ATOM 0 HE3 LYS A 22 16.080 -16.184 18.102 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 14.431 -17.150 19.553 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 15.384 -16.037 20.410 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 13.812 -15.614 19.930 1.00 1.00 H new ATOM 364 N LYS A 23 16.237 -11.410 13.407 1.00 1.00 N ATOM 365 CA LYS A 23 17.260 -11.283 12.383 1.00 1.00 C ATOM 366 C LYS A 23 16.800 -10.271 11.332 1.00 1.00 C ATOM 367 O LYS A 23 15.891 -10.599 10.555 1.00 1.00 O ATOM 368 CB LYS A 23 17.611 -12.655 11.803 1.00 1.00 C ATOM 369 CG LYS A 23 19.095 -12.969 11.997 1.00 1.00 C ATOM 370 CD LYS A 23 19.421 -14.390 11.531 1.00 1.00 C ATOM 371 CE LYS A 23 19.536 -15.344 12.722 1.00 1.00 C ATOM 372 NZ LYS A 23 20.943 -15.708 12.957 1.00 1.00 N ATOM 0 H LYS A 23 15.282 -11.356 13.054 1.00 1.00 H new ATOM 0 HA LYS A 23 18.185 -10.899 12.814 1.00 1.00 H new ATOM 0 HB2 LYS A 23 17.007 -13.423 12.286 1.00 1.00 H new ATOM 0 HB3 LYS A 23 17.367 -12.678 10.741 1.00 1.00 H new ATOM 0 HG2 LYS A 23 19.698 -12.252 11.439 1.00 1.00 H new ATOM 0 HG3 LYS A 23 19.359 -12.858 13.049 1.00 1.00 H new ATOM 0 HD2 LYS A 23 18.644 -14.741 10.852 1.00 1.00 H new ATOM 0 HD3 LYS A 23 20.356 -14.387 10.971 1.00 1.00 H new ATOM 0 HE2 LYS A 23 19.122 -14.873 13.614 1.00 1.00 H new ATOM 0 HE3 LYS A 23 18.948 -16.243 12.534 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 21.003 -16.356 13.768 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 21.326 -16.176 12.111 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 21.495 -14.850 13.158 1.00 1.00 H new ATOM 386 N LEU A 24 17.426 -9.080 11.328 1.00 1.00 N ATOM 387 CA LEU A 24 17.083 -8.033 10.381 1.00 1.00 C ATOM 388 C LEU A 24 18.347 -7.581 9.648 1.00 1.00 C ATOM 389 O LEU A 24 19.128 -6.817 10.234 1.00 1.00 O ATOM 390 CB LEU A 24 16.341 -6.895 11.086 1.00 1.00 C ATOM 391 CG LEU A 24 14.856 -7.135 11.367 1.00 1.00 C ATOM 392 CD1 LEU A 24 14.151 -7.707 10.135 1.00 1.00 C ATOM 393 CD2 LEU A 24 14.667 -8.022 12.599 1.00 1.00 C ATOM 0 H LEU A 24 18.172 -8.830 11.977 1.00 1.00 H new ATOM 0 HA LEU A 24 16.394 -8.413 9.626 1.00 1.00 H new ATOM 0 HB2 LEU A 24 16.842 -6.693 12.033 1.00 1.00 H new ATOM 0 HB3 LEU A 24 16.435 -5.995 10.478 1.00 1.00 H new ATOM 0 HG LEU A 24 14.390 -6.175 11.588 1.00 1.00 H new ATOM 0 HD11 LEU A 24 13.097 -7.868 10.361 1.00 1.00 H new ATOM 0 HD12 LEU A 24 14.241 -7.005 9.306 1.00 1.00 H new ATOM 0 HD13 LEU A 24 14.612 -8.655 9.859 1.00 1.00 H new ATOM 0 HD21 LEU A 24 13.603 -8.177 12.776 1.00 1.00 H new ATOM 0 HD22 LEU A 24 15.151 -8.984 12.432 1.00 1.00 H new ATOM 0 HD23 LEU A 24 15.113 -7.538 13.468 1.00 1.00 H new ATOM 405 N THR A 25 18.520 -8.053 8.400 1.00 1.00 N ATOM 406 CA THR A 25 19.678 -7.699 7.597 1.00 1.00 C ATOM 407 C THR A 25 19.409 -6.377 6.875 1.00 1.00 C ATOM 408 O THR A 25 18.599 -6.373 5.937 1.00 1.00 O ATOM 409 CB THR A 25 19.986 -8.858 6.647 1.00 1.00 C ATOM 410 OG1 THR A 25 18.738 -9.131 6.016 1.00 1.00 O ATOM 411 CG2 THR A 25 20.318 -10.153 7.392 1.00 1.00 C ATOM 0 H THR A 25 17.864 -8.681 7.935 1.00 1.00 H new ATOM 0 HA THR A 25 20.562 -7.542 8.216 1.00 1.00 H new ATOM 0 HB THR A 25 20.821 -8.586 6.002 1.00 1.00 H new ATOM 0 HG1 THR A 25 18.287 -8.287 5.805 1.00 1.00 H new ATOM 0 HG21 THR A 25 20.529 -10.943 6.672 1.00 1.00 H new ATOM 0 HG22 THR A 25 21.192 -9.995 8.024 1.00 1.00 H new ATOM 0 HG23 THR A 25 19.470 -10.444 8.012 1.00 1.00 H new ATOM 419 N LEU A 26 20.081 -5.300 7.319 1.00 1.00 N ATOM 420 CA LEU A 26 19.915 -3.987 6.720 1.00 1.00 C ATOM 421 C LEU A 26 19.867 -4.129 5.197 1.00 1.00 C ATOM 422 O LEU A 26 19.156 -3.343 4.553 1.00 1.00 O ATOM 423 CB LEU A 26 21.002 -3.031 7.214 1.00 1.00 C ATOM 424 CG LEU A 26 20.843 -1.566 6.804 1.00 1.00 C ATOM 425 CD1 LEU A 26 21.260 -0.630 7.941 1.00 1.00 C ATOM 426 CD2 LEU A 26 21.606 -1.272 5.511 1.00 1.00 C ATOM 0 H LEU A 26 20.744 -5.326 8.094 1.00 1.00 H new ATOM 0 HA LEU A 26 18.969 -3.544 7.030 1.00 1.00 H new ATOM 0 HB2 LEU A 26 21.035 -3.082 8.302 1.00 1.00 H new ATOM 0 HB3 LEU A 26 21.965 -3.387 6.849 1.00 1.00 H new ATOM 0 HG LEU A 26 19.788 -1.380 6.604 1.00 1.00 H new ATOM 0 HD11 LEU A 26 21.137 0.405 7.623 1.00 1.00 H new ATOM 0 HD12 LEU A 26 20.636 -0.818 8.815 1.00 1.00 H new ATOM 0 HD13 LEU A 26 22.304 -0.810 8.196 1.00 1.00 H new ATOM 0 HD21 LEU A 26 21.476 -0.224 5.242 1.00 1.00 H new ATOM 0 HD22 LEU A 26 22.666 -1.480 5.659 1.00 1.00 H new ATOM 0 HD23 LEU A 26 21.221 -1.902 4.710 1.00 1.00 H new ATOM 438 N SER A 27 20.612 -5.112 4.660 1.00 1.00 N ATOM 439 CA SER A 27 20.653 -5.352 3.227 1.00 1.00 C ATOM 440 C SER A 27 19.268 -5.790 2.747 1.00 1.00 C ATOM 441 O SER A 27 18.818 -5.287 1.707 1.00 1.00 O ATOM 442 CB SER A 27 21.699 -6.409 2.866 1.00 1.00 C ATOM 443 OG SER A 27 23.027 -5.947 3.098 1.00 1.00 O ATOM 0 H SER A 27 21.191 -5.748 5.208 1.00 1.00 H new ATOM 0 HA SER A 27 20.938 -4.425 2.729 1.00 1.00 H new ATOM 0 HB2 SER A 27 21.521 -7.310 3.453 1.00 1.00 H new ATOM 0 HB3 SER A 27 21.589 -6.684 1.817 1.00 1.00 H new ATOM 0 HG SER A 27 23.665 -6.651 2.857 1.00 1.00 H new ATOM 449 N GLY A 28 18.630 -6.703 3.501 1.00 1.00 N ATOM 450 CA GLY A 28 17.310 -7.201 3.155 1.00 1.00 C ATOM 451 C GLY A 28 16.260 -6.154 3.531 1.00 1.00 C ATOM 452 O GLY A 28 15.150 -6.208 2.981 1.00 1.00 O ATOM 0 H GLY A 28 19.019 -7.105 4.354 1.00 1.00 H new ATOM 0 HA2 GLY A 28 17.259 -7.417 2.088 1.00 1.00 H new ATOM 0 HA3 GLY A 28 17.112 -8.136 3.680 1.00 1.00 H new ATOM 456 N ILE A 29 16.624 -5.237 4.445 1.00 1.00 N ATOM 457 CA ILE A 29 15.719 -4.189 4.888 1.00 1.00 C ATOM 458 C ILE A 29 15.372 -3.287 3.702 1.00 1.00 C ATOM 459 O ILE A 29 14.176 -3.067 3.459 1.00 1.00 O ATOM 460 CB ILE A 29 16.314 -3.437 6.080 1.00 1.00 C ATOM 461 CG1 ILE A 29 16.063 -4.194 7.386 1.00 1.00 C ATOM 462 CG2 ILE A 29 15.788 -2.001 6.139 1.00 1.00 C ATOM 463 CD1 ILE A 29 14.588 -4.123 7.786 1.00 1.00 C ATOM 0 H ILE A 29 17.543 -5.210 4.886 1.00 1.00 H new ATOM 0 HA ILE A 29 14.784 -4.619 5.247 1.00 1.00 H new ATOM 0 HB ILE A 29 17.394 -3.379 5.944 1.00 1.00 H new ATOM 0 HG12 ILE A 29 16.362 -5.236 7.270 1.00 1.00 H new ATOM 0 HG13 ILE A 29 16.679 -3.772 8.180 1.00 1.00 H new ATOM 0 HG21 ILE A 29 16.226 -1.488 6.995 1.00 1.00 H new ATOM 0 HG22 ILE A 29 16.060 -1.476 5.223 1.00 1.00 H new ATOM 0 HG23 ILE A 29 14.703 -2.015 6.241 1.00 1.00 H new ATOM 0 HD11 ILE A 29 14.437 -4.669 8.717 1.00 1.00 H new ATOM 0 HD12 ILE A 29 14.298 -3.081 7.925 1.00 1.00 H new ATOM 0 HD13 ILE A 29 13.976 -4.568 7.001 1.00 1.00 H new ATOM 475 N CYS A 30 16.406 -2.791 2.999 1.00 1.00 N ATOM 476 CA CYS A 30 16.210 -1.922 1.852 1.00 1.00 C ATOM 477 C CYS A 30 15.501 -2.702 0.742 1.00 1.00 C ATOM 478 O CYS A 30 14.527 -2.177 0.183 1.00 1.00 O ATOM 479 CB CYS A 30 17.538 -1.330 1.375 1.00 1.00 C ATOM 480 SG CYS A 30 17.388 -0.073 0.071 1.00 1.00 S ATOM 0 H CYS A 30 17.384 -2.985 3.215 1.00 1.00 H new ATOM 0 HA CYS A 30 15.580 -1.080 2.140 1.00 1.00 H new ATOM 0 HB2 CYS A 30 18.050 -0.887 2.229 1.00 1.00 H new ATOM 0 HB3 CYS A 30 18.170 -2.139 1.009 1.00 1.00 H new ATOM 0 HG CYS A 30 16.253 -0.221 -0.546 1.00 1.00 H new ATOM 486 N GLU A 31 15.995 -3.918 0.451 1.00 1.00 N ATOM 487 CA GLU A 31 15.413 -4.759 -0.582 1.00 1.00 C ATOM 488 C GLU A 31 13.997 -5.162 -0.167 1.00 1.00 C ATOM 489 O GLU A 31 13.157 -5.366 -1.056 1.00 1.00 O ATOM 490 CB GLU A 31 16.276 -5.992 -0.855 1.00 1.00 C ATOM 491 CG GLU A 31 15.755 -7.207 -0.085 1.00 1.00 C ATOM 492 CD GLU A 31 16.766 -8.355 -0.124 1.00 1.00 C ATOM 493 OE1 GLU A 31 18.004 -7.993 -0.093 1.00 1.00 O ATOM 494 OE2 GLU A 31 16.370 -9.529 -0.181 1.00 1.00 O ATOM 0 H GLU A 31 16.798 -4.332 0.924 1.00 1.00 H new ATOM 0 HA GLU A 31 15.368 -4.191 -1.511 1.00 1.00 H new ATOM 0 HB2 GLU A 31 16.280 -6.208 -1.923 1.00 1.00 H new ATOM 0 HB3 GLU A 31 17.308 -5.789 -0.567 1.00 1.00 H new ATOM 0 HG2 GLU A 31 15.556 -6.928 0.950 1.00 1.00 H new ATOM 0 HG3 GLU A 31 14.809 -7.536 -0.515 1.00 1.00 H new ATOM 501 N PHE A 32 13.763 -5.266 1.154 1.00 1.00 N ATOM 502 CA PHE A 32 12.460 -5.641 1.678 1.00 1.00 C ATOM 503 C PHE A 32 11.429 -4.587 1.269 1.00 1.00 C ATOM 504 O PHE A 32 10.372 -4.969 0.744 1.00 1.00 O ATOM 505 CB PHE A 32 12.545 -5.757 3.212 1.00 1.00 C ATOM 506 CG PHE A 32 11.238 -5.478 3.943 1.00 1.00 C ATOM 507 CD1 PHE A 32 10.282 -6.507 4.114 1.00 1.00 C ATOM 508 CD2 PHE A 32 10.970 -4.185 4.449 1.00 1.00 C ATOM 509 CE1 PHE A 32 9.070 -6.244 4.788 1.00 1.00 C ATOM 510 CE2 PHE A 32 9.758 -3.924 5.122 1.00 1.00 C ATOM 511 CZ PHE A 32 8.808 -4.953 5.292 1.00 1.00 C ATOM 0 H PHE A 32 14.468 -5.093 1.870 1.00 1.00 H new ATOM 0 HA PHE A 32 12.153 -6.605 1.271 1.00 1.00 H new ATOM 0 HB2 PHE A 32 12.882 -6.761 3.469 1.00 1.00 H new ATOM 0 HB3 PHE A 32 13.304 -5.063 3.574 1.00 1.00 H new ATOM 0 HD1 PHE A 32 10.480 -7.496 3.728 1.00 1.00 H new ATOM 0 HD2 PHE A 32 11.695 -3.395 4.320 1.00 1.00 H new ATOM 0 HE1 PHE A 32 8.343 -7.032 4.918 1.00 1.00 H new ATOM 0 HE2 PHE A 32 9.557 -2.935 5.508 1.00 1.00 H new ATOM 0 HZ PHE A 32 7.881 -4.752 5.808 1.00 1.00 H new ATOM 521 N ILE A 33 11.749 -3.304 1.513 1.00 1.00 N ATOM 522 CA ILE A 33 10.857 -2.209 1.172 1.00 1.00 C ATOM 523 C ILE A 33 10.668 -2.164 -0.345 1.00 1.00 C ATOM 524 O ILE A 33 9.715 -1.516 -0.802 1.00 1.00 O ATOM 525 CB ILE A 33 11.368 -0.896 1.767 1.00 1.00 C ATOM 526 CG1 ILE A 33 10.840 -0.696 3.189 1.00 1.00 C ATOM 527 CG2 ILE A 33 11.030 0.287 0.858 1.00 1.00 C ATOM 528 CD1 ILE A 33 11.963 -0.269 4.136 1.00 1.00 C ATOM 0 H ILE A 33 12.624 -3.011 1.947 1.00 1.00 H new ATOM 0 HA ILE A 33 9.873 -2.369 1.612 1.00 1.00 H new ATOM 0 HB ILE A 33 12.455 -0.951 1.832 1.00 1.00 H new ATOM 0 HG12 ILE A 33 10.055 0.060 3.186 1.00 1.00 H new ATOM 0 HG13 ILE A 33 10.390 -1.622 3.547 1.00 1.00 H new ATOM 0 HG21 ILE A 33 11.405 1.208 1.305 1.00 1.00 H new ATOM 0 HG22 ILE A 33 11.495 0.141 -0.117 1.00 1.00 H new ATOM 0 HG23 ILE A 33 9.949 0.356 0.737 1.00 1.00 H new ATOM 0 HD11 ILE A 33 11.561 -0.134 5.140 1.00 1.00 H new ATOM 0 HD12 ILE A 33 12.735 -1.038 4.155 1.00 1.00 H new ATOM 0 HD13 ILE A 33 12.395 0.670 3.789 1.00 1.00 H new ATOM 540 N SER A 34 11.564 -2.842 -1.084 1.00 1.00 N ATOM 541 CA SER A 34 11.496 -2.879 -2.535 1.00 1.00 C ATOM 542 C SER A 34 10.512 -3.968 -2.968 1.00 1.00 C ATOM 543 O SER A 34 9.743 -3.728 -3.910 1.00 1.00 O ATOM 544 CB SER A 34 12.872 -3.129 -3.155 1.00 1.00 C ATOM 545 OG SER A 34 13.107 -2.298 -4.288 1.00 1.00 O ATOM 0 H SER A 34 12.342 -3.370 -0.688 1.00 1.00 H new ATOM 0 HA SER A 34 11.150 -1.908 -2.890 1.00 1.00 H new ATOM 0 HB2 SER A 34 13.644 -2.949 -2.407 1.00 1.00 H new ATOM 0 HB3 SER A 34 12.952 -4.175 -3.450 1.00 1.00 H new ATOM 0 HG SER A 34 13.996 -2.487 -4.654 1.00 1.00 H new ATOM 551 N ASN A 35 10.556 -5.125 -2.283 1.00 1.00 N ATOM 552 CA ASN A 35 9.675 -6.238 -2.595 1.00 1.00 C ATOM 553 C ASN A 35 8.348 -6.055 -1.856 1.00 1.00 C ATOM 554 O ASN A 35 7.597 -7.035 -1.741 1.00 1.00 O ATOM 555 CB ASN A 35 10.287 -7.567 -2.146 1.00 1.00 C ATOM 556 CG ASN A 35 10.895 -7.446 -0.747 1.00 1.00 C ATOM 557 OD1 ASN A 35 12.101 -7.446 -0.564 1.00 1.00 O ATOM 558 ND2 ASN A 35 9.995 -7.344 0.227 1.00 1.00 N ATOM 0 H ASN A 35 11.198 -5.302 -1.510 1.00 1.00 H new ATOM 0 HA ASN A 35 9.524 -6.257 -3.674 1.00 1.00 H new ATOM 0 HB2 ASN A 35 9.522 -8.343 -2.148 1.00 1.00 H new ATOM 0 HB3 ASN A 35 11.055 -7.876 -2.855 1.00 1.00 H new ATOM 0 HD21 ASN A 35 10.300 -7.259 1.197 1.00 1.00 H new ATOM 0 HD22 ASN A 35 9.000 -7.351 0.004 1.00 1.00 H new ATOM 565 N ARG A 36 8.090 -4.825 -1.378 1.00 1.00 N ATOM 566 CA ARG A 36 6.865 -4.520 -0.658 1.00 1.00 C ATOM 567 C ARG A 36 6.375 -3.128 -1.061 1.00 1.00 C ATOM 568 O ARG A 36 5.179 -2.986 -1.357 1.00 1.00 O ATOM 569 CB ARG A 36 7.076 -4.561 0.857 1.00 1.00 C ATOM 570 CG ARG A 36 6.732 -5.940 1.422 1.00 1.00 C ATOM 571 CD ARG A 36 5.272 -6.299 1.140 1.00 1.00 C ATOM 572 NE ARG A 36 4.805 -7.318 2.106 1.00 1.00 N ATOM 573 CZ ARG A 36 5.137 -8.625 2.046 1.00 1.00 C ATOM 574 NH1 ARG A 36 5.938 -9.048 1.058 1.00 1.00 N ATOM 575 NH2 ARG A 36 4.673 -9.488 2.961 1.00 1.00 N ATOM 0 H ARG A 36 8.722 -4.032 -1.483 1.00 1.00 H new ATOM 0 HA ARG A 36 6.124 -5.276 -0.918 1.00 1.00 H new ATOM 0 HB2 ARG A 36 8.112 -4.317 1.090 1.00 1.00 H new ATOM 0 HB3 ARG A 36 6.455 -3.803 1.335 1.00 1.00 H new ATOM 0 HG2 ARG A 36 7.387 -6.691 0.981 1.00 1.00 H new ATOM 0 HG3 ARG A 36 6.912 -5.952 2.497 1.00 1.00 H new ATOM 0 HD2 ARG A 36 4.650 -5.407 1.211 1.00 1.00 H new ATOM 0 HD3 ARG A 36 5.172 -6.678 0.123 1.00 1.00 H new ATOM 0 HE ARG A 36 4.194 -7.014 2.864 1.00 1.00 H new ATOM 0 HH11 ARG A 36 6.287 -8.385 0.366 1.00 1.00 H new ATOM 0 HH12 ARG A 36 6.198 -10.032 0.999 1.00 1.00 H new ATOM 0 HH21 ARG A 36 4.064 -9.159 3.710 1.00 1.00 H new ATOM 0 HH22 ARG A 36 4.929 -10.474 2.908 1.00 1.00 H new ATOM 589 N PHE A 37 7.292 -2.144 -1.064 1.00 1.00 N ATOM 590 CA PHE A 37 6.955 -0.778 -1.427 1.00 1.00 C ATOM 591 C PHE A 37 7.949 -0.273 -2.475 1.00 1.00 C ATOM 592 O PHE A 37 8.815 0.541 -2.122 1.00 1.00 O ATOM 593 CB PHE A 37 6.993 0.107 -0.166 1.00 1.00 C ATOM 594 CG PHE A 37 6.733 -0.635 1.139 1.00 1.00 C ATOM 595 CD1 PHE A 37 5.409 -0.902 1.557 1.00 1.00 C ATOM 596 CD2 PHE A 37 7.817 -1.056 1.943 1.00 1.00 C ATOM 597 CE1 PHE A 37 5.171 -1.585 2.769 1.00 1.00 C ATOM 598 CE2 PHE A 37 7.579 -1.740 3.154 1.00 1.00 C ATOM 599 CZ PHE A 37 6.256 -2.005 3.567 1.00 1.00 C ATOM 0 H PHE A 37 8.272 -2.282 -0.817 1.00 1.00 H new ATOM 0 HA PHE A 37 5.952 -0.738 -1.851 1.00 1.00 H new ATOM 0 HB2 PHE A 37 7.969 0.589 -0.106 1.00 1.00 H new ATOM 0 HB3 PHE A 37 6.252 0.899 -0.272 1.00 1.00 H new ATOM 0 HD1 PHE A 37 4.577 -0.582 0.947 1.00 1.00 H new ATOM 0 HD2 PHE A 37 8.830 -0.853 1.629 1.00 1.00 H new ATOM 0 HE1 PHE A 37 4.158 -1.786 3.086 1.00 1.00 H new ATOM 0 HE2 PHE A 37 8.410 -2.061 3.765 1.00 1.00 H new ATOM 0 HZ PHE A 37 6.074 -2.529 4.494 1.00 1.00 H new ATOM 609 N PRO A 38 7.808 -0.758 -3.721 1.00 1.00 N ATOM 610 CA PRO A 38 8.667 -0.381 -4.831 1.00 1.00 C ATOM 611 C PRO A 38 8.330 1.024 -5.332 1.00 1.00 C ATOM 612 O PRO A 38 9.254 1.740 -5.747 1.00 1.00 O ATOM 613 CB PRO A 38 8.446 -1.456 -5.882 1.00 1.00 C ATOM 614 CG PRO A 38 7.135 -2.133 -5.517 1.00 1.00 C ATOM 615 CD PRO A 38 6.774 -1.717 -4.101 1.00 1.00 C ATOM 0 HA PRO A 38 9.719 -0.328 -4.550 1.00 1.00 H new ATOM 0 HB2 PRO A 38 8.396 -1.022 -6.880 1.00 1.00 H new ATOM 0 HB3 PRO A 38 9.267 -2.172 -5.887 1.00 1.00 H new ATOM 0 HG2 PRO A 38 6.348 -1.841 -6.213 1.00 1.00 H new ATOM 0 HG3 PRO A 38 7.234 -3.217 -5.583 1.00 1.00 H new ATOM 0 HD2 PRO A 38 5.782 -1.266 -4.061 1.00 1.00 H new ATOM 0 HD3 PRO A 38 6.762 -2.574 -3.427 1.00 1.00 H new ATOM 623 N TYR A 39 7.036 1.386 -5.287 1.00 1.00 N ATOM 624 CA TYR A 39 6.649 2.707 -5.753 1.00 1.00 C ATOM 625 C TYR A 39 7.462 3.765 -5.004 1.00 1.00 C ATOM 626 O TYR A 39 7.697 4.836 -5.583 1.00 1.00 O ATOM 627 CB TYR A 39 5.134 2.911 -5.570 1.00 1.00 C ATOM 628 CG TYR A 39 4.277 2.302 -6.671 1.00 1.00 C ATOM 629 CD1 TYR A 39 4.225 0.899 -6.833 1.00 1.00 C ATOM 630 CD2 TYR A 39 3.525 3.133 -7.534 1.00 1.00 C ATOM 631 CE1 TYR A 39 3.430 0.330 -7.850 1.00 1.00 C ATOM 632 CE2 TYR A 39 2.730 2.564 -8.551 1.00 1.00 C ATOM 633 CZ TYR A 39 2.682 1.162 -8.711 1.00 1.00 C ATOM 634 OH TYR A 39 1.914 0.608 -9.695 1.00 1.00 O ATOM 0 H TYR A 39 6.274 0.800 -4.945 1.00 1.00 H new ATOM 0 HA TYR A 39 6.863 2.804 -6.817 1.00 1.00 H new ATOM 0 HB2 TYR A 39 4.835 2.480 -4.614 1.00 1.00 H new ATOM 0 HB3 TYR A 39 4.928 3.980 -5.516 1.00 1.00 H new ATOM 0 HD1 TYR A 39 4.796 0.260 -6.176 1.00 1.00 H new ATOM 0 HD2 TYR A 39 3.560 4.206 -7.414 1.00 1.00 H new ATOM 0 HE1 TYR A 39 3.394 -0.743 -7.970 1.00 1.00 H new ATOM 0 HE2 TYR A 39 2.157 3.202 -9.208 1.00 1.00 H new ATOM 0 HH TYR A 39 1.463 1.319 -10.197 1.00 1.00 H new ATOM 644 N TYR A 40 7.859 3.459 -3.756 1.00 1.00 N ATOM 645 CA TYR A 40 8.621 4.433 -2.994 1.00 1.00 C ATOM 646 C TYR A 40 10.082 4.401 -3.448 1.00 1.00 C ATOM 647 O TYR A 40 10.616 5.473 -3.768 1.00 1.00 O ATOM 648 CB TYR A 40 8.483 4.151 -1.486 1.00 1.00 C ATOM 649 CG TYR A 40 7.391 4.952 -0.791 1.00 1.00 C ATOM 650 CD1 TYR A 40 7.493 6.358 -0.683 1.00 1.00 C ATOM 651 CD2 TYR A 40 6.268 4.289 -0.244 1.00 1.00 C ATOM 652 CE1 TYR A 40 6.479 7.095 -0.034 1.00 1.00 C ATOM 653 CE2 TYR A 40 5.254 5.026 0.404 1.00 1.00 C ATOM 654 CZ TYR A 40 5.358 6.430 0.509 1.00 1.00 C ATOM 655 OH TYR A 40 4.374 7.140 1.136 1.00 1.00 O ATOM 0 H TYR A 40 7.669 2.578 -3.278 1.00 1.00 H new ATOM 0 HA TYR A 40 8.231 5.435 -3.175 1.00 1.00 H new ATOM 0 HB2 TYR A 40 8.283 3.089 -1.345 1.00 1.00 H new ATOM 0 HB3 TYR A 40 9.436 4.363 -1.001 1.00 1.00 H new ATOM 0 HD1 TYR A 40 8.349 6.869 -1.098 1.00 1.00 H new ATOM 0 HD2 TYR A 40 6.186 3.215 -0.322 1.00 1.00 H new ATOM 0 HE1 TYR A 40 6.561 8.169 0.047 1.00 1.00 H new ATOM 0 HE2 TYR A 40 4.398 4.516 0.820 1.00 1.00 H new ATOM 0 HH TYR A 40 3.677 6.527 1.449 1.00 1.00 H new ATOM 665 N ARG A 41 10.690 3.202 -3.460 1.00 1.00 N ATOM 666 CA ARG A 41 12.078 3.047 -3.863 1.00 1.00 C ATOM 667 C ARG A 41 12.276 3.671 -5.246 1.00 1.00 C ATOM 668 O ARG A 41 13.252 4.414 -5.423 1.00 1.00 O ATOM 669 CB ARG A 41 12.489 1.574 -3.913 1.00 1.00 C ATOM 670 CG ARG A 41 13.908 1.419 -4.463 1.00 1.00 C ATOM 671 CD ARG A 41 14.730 0.461 -3.598 1.00 1.00 C ATOM 672 NE ARG A 41 15.973 0.080 -4.306 1.00 1.00 N ATOM 673 CZ ARG A 41 16.727 -0.994 -3.987 1.00 1.00 C ATOM 674 NH1 ARG A 41 16.344 -1.777 -2.970 1.00 1.00 N ATOM 675 NH2 ARG A 41 17.841 -1.272 -4.677 1.00 1.00 N ATOM 0 H ARG A 41 10.232 2.331 -3.193 1.00 1.00 H new ATOM 0 HA ARG A 41 12.702 3.549 -3.124 1.00 1.00 H new ATOM 0 HB2 ARG A 41 12.434 1.143 -2.913 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.790 1.019 -4.539 1.00 1.00 H new ATOM 0 HG2 ARG A 41 13.866 1.046 -5.486 1.00 1.00 H new ATOM 0 HG3 ARG A 41 14.397 2.393 -4.498 1.00 1.00 H new ATOM 0 HD2 ARG A 41 14.974 0.935 -2.647 1.00 1.00 H new ATOM 0 HD3 ARG A 41 14.144 -0.429 -3.370 1.00 1.00 H new ATOM 0 HE ARG A 41 16.279 0.665 -5.083 1.00 1.00 H new ATOM 0 HH11 ARG A 41 15.494 -1.558 -2.450 1.00 1.00 H new ATOM 0 HH12 ARG A 41 16.902 -2.592 -2.716 1.00 1.00 H new ATOM 0 HH21 ARG A 41 18.126 -0.670 -5.450 1.00 1.00 H new ATOM 0 HH22 ARG A 41 18.405 -2.085 -4.429 1.00 1.00 H new ATOM 689 N GLU A 42 11.361 3.363 -6.182 1.00 1.00 N ATOM 690 CA GLU A 42 11.435 3.891 -7.534 1.00 1.00 C ATOM 691 C GLU A 42 11.348 5.418 -7.487 1.00 1.00 C ATOM 692 O GLU A 42 11.921 6.069 -8.373 1.00 1.00 O ATOM 693 CB GLU A 42 10.337 3.307 -8.426 1.00 1.00 C ATOM 694 CG GLU A 42 10.885 2.958 -9.812 1.00 1.00 C ATOM 695 CD GLU A 42 11.702 1.665 -9.769 1.00 1.00 C ATOM 696 OE1 GLU A 42 12.535 1.579 -8.788 1.00 1.00 O ATOM 697 OE2 GLU A 42 11.536 0.798 -10.639 1.00 1.00 O ATOM 0 H GLU A 42 10.564 2.749 -6.015 1.00 1.00 H new ATOM 0 HA GLU A 42 12.390 3.598 -7.971 1.00 1.00 H new ATOM 0 HB2 GLU A 42 9.921 2.414 -7.960 1.00 1.00 H new ATOM 0 HB3 GLU A 42 9.522 4.024 -8.523 1.00 1.00 H new ATOM 0 HG2 GLU A 42 10.060 2.848 -10.516 1.00 1.00 H new ATOM 0 HG3 GLU A 42 11.508 3.774 -10.177 1.00 1.00 H new ATOM 704 N LYS A 43 10.645 5.950 -6.471 1.00 1.00 N ATOM 705 CA LYS A 43 10.487 7.385 -6.313 1.00 1.00 C ATOM 706 C LYS A 43 11.689 7.946 -5.551 1.00 1.00 C ATOM 707 O LYS A 43 12.207 8.996 -5.957 1.00 1.00 O ATOM 708 CB LYS A 43 9.141 7.707 -5.660 1.00 1.00 C ATOM 709 CG LYS A 43 8.984 9.213 -5.441 1.00 1.00 C ATOM 710 CD LYS A 43 8.744 9.938 -6.767 1.00 1.00 C ATOM 711 CE LYS A 43 9.825 10.991 -7.020 1.00 1.00 C ATOM 712 NZ LYS A 43 9.752 12.057 -6.008 1.00 1.00 N ATOM 0 H LYS A 43 10.181 5.396 -5.752 1.00 1.00 H new ATOM 0 HA LYS A 43 10.469 7.875 -7.286 1.00 1.00 H new ATOM 0 HB2 LYS A 43 8.330 7.341 -6.290 1.00 1.00 H new ATOM 0 HB3 LYS A 43 9.062 7.187 -4.705 1.00 1.00 H new ATOM 0 HG2 LYS A 43 8.151 9.401 -4.764 1.00 1.00 H new ATOM 0 HG3 LYS A 43 9.879 9.610 -4.962 1.00 1.00 H new ATOM 0 HD2 LYS A 43 8.736 9.216 -7.584 1.00 1.00 H new ATOM 0 HD3 LYS A 43 7.764 10.414 -6.753 1.00 1.00 H new ATOM 0 HE2 LYS A 43 10.809 10.524 -6.994 1.00 1.00 H new ATOM 0 HE3 LYS A 43 9.700 11.417 -8.015 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 10.234 12.907 -6.364 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 8.756 12.281 -5.811 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 10.214 11.737 -5.133 1.00 1.00 H new ATOM 726 N PHE A 44 12.103 7.246 -4.479 1.00 1.00 N ATOM 727 CA PHE A 44 13.233 7.672 -3.672 1.00 1.00 C ATOM 728 C PHE A 44 13.977 6.439 -3.153 1.00 1.00 C ATOM 729 O PHE A 44 13.646 5.970 -2.055 1.00 1.00 O ATOM 730 CB PHE A 44 12.724 8.535 -2.501 1.00 1.00 C ATOM 731 CG PHE A 44 13.801 9.354 -1.801 1.00 1.00 C ATOM 732 CD1 PHE A 44 14.957 9.764 -2.504 1.00 1.00 C ATOM 733 CD2 PHE A 44 13.652 9.701 -0.438 1.00 1.00 C ATOM 734 CE1 PHE A 44 15.955 10.519 -1.850 1.00 1.00 C ATOM 735 CE2 PHE A 44 14.650 10.456 0.215 1.00 1.00 C ATOM 736 CZ PHE A 44 15.801 10.865 -0.491 1.00 1.00 C ATOM 0 H PHE A 44 11.663 6.383 -4.161 1.00 1.00 H new ATOM 0 HA PHE A 44 13.921 8.268 -4.272 1.00 1.00 H new ATOM 0 HB2 PHE A 44 11.956 9.213 -2.874 1.00 1.00 H new ATOM 0 HB3 PHE A 44 12.247 7.884 -1.768 1.00 1.00 H new ATOM 0 HD1 PHE A 44 15.077 9.499 -3.544 1.00 1.00 H new ATOM 0 HD2 PHE A 44 12.772 9.387 0.105 1.00 1.00 H new ATOM 0 HE1 PHE A 44 16.836 10.832 -2.390 1.00 1.00 H new ATOM 0 HE2 PHE A 44 14.532 10.721 1.255 1.00 1.00 H new ATOM 0 HZ PHE A 44 16.564 11.443 0.009 1.00 1.00 H new ATOM 746 N PRO A 45 14.950 5.947 -3.941 1.00 1.00 N ATOM 747 CA PRO A 45 15.750 4.784 -3.596 1.00 1.00 C ATOM 748 C PRO A 45 16.784 5.129 -2.523 1.00 1.00 C ATOM 749 O PRO A 45 17.680 4.306 -2.281 1.00 1.00 O ATOM 750 CB PRO A 45 16.379 4.337 -4.905 1.00 1.00 C ATOM 751 CG PRO A 45 16.284 5.531 -5.842 1.00 1.00 C ATOM 752 CD PRO A 45 15.313 6.527 -5.231 1.00 1.00 C ATOM 0 HA PRO A 45 15.157 3.980 -3.159 1.00 1.00 H new ATOM 0 HB2 PRO A 45 17.417 4.038 -4.758 1.00 1.00 H new ATOM 0 HB3 PRO A 45 15.854 3.475 -5.316 1.00 1.00 H new ATOM 0 HG2 PRO A 45 17.264 5.988 -5.978 1.00 1.00 H new ATOM 0 HG3 PRO A 45 15.939 5.217 -6.827 1.00 1.00 H new ATOM 0 HD2 PRO A 45 15.775 7.507 -5.109 1.00 1.00 H new ATOM 0 HD3 PRO A 45 14.436 6.665 -5.864 1.00 1.00 H new ATOM 760 N ALA A 46 16.644 6.318 -1.911 1.00 1.00 N ATOM 761 CA ALA A 46 17.559 6.764 -0.874 1.00 1.00 C ATOM 762 C ALA A 46 17.097 6.218 0.478 1.00 1.00 C ATOM 763 O ALA A 46 17.394 6.850 1.503 1.00 1.00 O ATOM 764 CB ALA A 46 17.507 8.289 -0.762 1.00 1.00 C ATOM 0 H ALA A 46 15.900 6.981 -2.126 1.00 1.00 H new ATOM 0 HA ALA A 46 18.561 6.419 -1.127 1.00 1.00 H new ATOM 0 HB1 ALA A 46 18.194 8.620 0.016 1.00 1.00 H new ATOM 0 HB2 ALA A 46 17.796 8.734 -1.714 1.00 1.00 H new ATOM 0 HB3 ALA A 46 16.494 8.601 -0.508 1.00 1.00 H new ATOM 770 N TRP A 47 16.390 5.074 0.456 1.00 1.00 N ATOM 771 CA TRP A 47 15.893 4.452 1.671 1.00 1.00 C ATOM 772 C TRP A 47 17.074 3.926 2.489 1.00 1.00 C ATOM 773 O TRP A 47 17.202 4.316 3.659 1.00 1.00 O ATOM 774 CB TRP A 47 14.870 3.366 1.331 1.00 1.00 C ATOM 775 CG TRP A 47 13.540 3.908 0.804 1.00 1.00 C ATOM 776 CD1 TRP A 47 13.146 4.030 -0.471 1.00 1.00 C ATOM 777 CD2 TRP A 47 12.437 4.398 1.595 1.00 1.00 C ATOM 778 NE1 TRP A 47 11.876 4.561 -0.560 1.00 1.00 N ATOM 779 CE2 TRP A 47 11.431 4.792 0.737 1.00 1.00 C ATOM 780 CE3 TRP A 47 12.295 4.505 2.990 1.00 1.00 C ATOM 781 CZ2 TRP A 47 10.211 5.320 1.177 1.00 1.00 C ATOM 782 CZ3 TRP A 47 11.070 5.035 3.413 1.00 1.00 C ATOM 783 CH2 TRP A 47 10.047 5.436 2.562 1.00 1.00 C ATOM 0 H TRP A 47 16.156 4.569 -0.399 1.00 1.00 H new ATOM 0 HA TRP A 47 15.371 5.185 2.285 1.00 1.00 H new ATOM 0 HB2 TRP A 47 15.299 2.697 0.585 1.00 1.00 H new ATOM 0 HB3 TRP A 47 14.680 2.769 2.223 1.00 1.00 H new ATOM 0 HD1 TRP A 47 13.748 3.748 -1.322 1.00 1.00 H new ATOM 0 HE1 TRP A 47 11.359 4.749 -1.419 1.00 1.00 H new ATOM 0 HE3 TRP A 47 13.069 4.203 3.680 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 9.438 5.621 0.485 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 10.909 5.140 4.476 1.00 1.00 H new ATOM 0 HH2 TRP A 47 9.129 5.835 2.968 1.00 1.00 H new ATOM 794 N GLN A 48 17.900 3.064 1.869 1.00 1.00 N ATOM 795 CA GLN A 48 19.058 2.492 2.535 1.00 1.00 C ATOM 796 C GLN A 48 19.742 3.572 3.376 1.00 1.00 C ATOM 797 O GLN A 48 20.373 3.222 4.384 1.00 1.00 O ATOM 798 CB GLN A 48 20.036 1.877 1.532 1.00 1.00 C ATOM 799 CG GLN A 48 21.075 1.007 2.242 1.00 1.00 C ATOM 800 CD GLN A 48 22.480 1.592 2.085 1.00 1.00 C ATOM 801 OE1 GLN A 48 22.686 2.619 1.461 1.00 1.00 O ATOM 802 NE2 GLN A 48 23.431 0.881 2.684 1.00 1.00 N ATOM 0 H GLN A 48 17.776 2.755 0.905 1.00 1.00 H new ATOM 0 HA GLN A 48 18.723 1.686 3.188 1.00 1.00 H new ATOM 0 HB2 GLN A 48 19.488 1.276 0.806 1.00 1.00 H new ATOM 0 HB3 GLN A 48 20.538 2.669 0.976 1.00 1.00 H new ATOM 0 HG2 GLN A 48 20.826 0.928 3.300 1.00 1.00 H new ATOM 0 HG3 GLN A 48 21.050 -0.003 1.832 1.00 1.00 H new ATOM 0 HE21 GLN A 48 23.189 0.029 3.190 1.00 1.00 H new ATOM 0 HE22 GLN A 48 24.403 1.187 2.637 1.00 1.00 H new ATOM 811 N ASN A 49 19.607 4.841 2.953 1.00 1.00 N ATOM 812 CA ASN A 49 20.207 5.958 3.662 1.00 1.00 C ATOM 813 C ASN A 49 19.326 6.331 4.856 1.00 1.00 C ATOM 814 O ASN A 49 19.862 6.464 5.966 1.00 1.00 O ATOM 815 CB ASN A 49 20.323 7.187 2.758 1.00 1.00 C ATOM 816 CG ASN A 49 20.898 8.380 3.525 1.00 1.00 C ATOM 817 OD1 ASN A 49 20.206 9.075 4.251 1.00 1.00 O ATOM 818 ND2 ASN A 49 22.198 8.576 3.326 1.00 1.00 N ATOM 0 H ASN A 49 19.083 5.107 2.119 1.00 1.00 H new ATOM 0 HA ASN A 49 21.202 5.655 3.987 1.00 1.00 H new ATOM 0 HB2 ASN A 49 20.962 6.957 1.905 1.00 1.00 H new ATOM 0 HB3 ASN A 49 19.341 7.445 2.361 1.00 1.00 H new ATOM 0 HD21 ASN A 49 22.675 9.346 3.795 1.00 1.00 H new ATOM 0 HD22 ASN A 49 22.718 7.956 2.705 1.00 1.00 H new ATOM 825 N SER A 50 18.014 6.490 4.610 1.00 1.00 N ATOM 826 CA SER A 50 17.071 6.844 5.657 1.00 1.00 C ATOM 827 C SER A 50 16.672 5.583 6.426 1.00 1.00 C ATOM 828 O SER A 50 16.985 5.498 7.622 1.00 1.00 O ATOM 829 CB SER A 50 15.830 7.531 5.084 1.00 1.00 C ATOM 830 OG SER A 50 16.101 8.869 4.674 1.00 1.00 O ATOM 0 H SER A 50 17.592 6.376 3.688 1.00 1.00 H new ATOM 0 HA SER A 50 17.553 7.550 6.333 1.00 1.00 H new ATOM 0 HB2 SER A 50 15.460 6.959 4.233 1.00 1.00 H new ATOM 0 HB3 SER A 50 15.039 7.535 5.834 1.00 1.00 H new ATOM 0 HG SER A 50 15.263 9.309 4.418 1.00 1.00 H new ATOM 836 N ILE A 51 16.000 4.644 5.736 1.00 1.00 N ATOM 837 CA ILE A 51 15.564 3.401 6.350 1.00 1.00 C ATOM 838 C ILE A 51 16.658 2.891 7.291 1.00 1.00 C ATOM 839 O ILE A 51 16.317 2.374 8.365 1.00 1.00 O ATOM 840 CB ILE A 51 15.154 2.389 5.278 1.00 1.00 C ATOM 841 CG1 ILE A 51 14.060 1.453 5.798 1.00 1.00 C ATOM 842 CG2 ILE A 51 16.369 1.618 4.758 1.00 1.00 C ATOM 843 CD1 ILE A 51 12.722 2.186 5.916 1.00 1.00 C ATOM 0 H ILE A 51 15.752 4.734 4.751 1.00 1.00 H new ATOM 0 HA ILE A 51 14.673 3.567 6.956 1.00 1.00 H new ATOM 0 HB ILE A 51 14.735 2.936 4.434 1.00 1.00 H new ATOM 0 HG12 ILE A 51 13.954 0.602 5.125 1.00 1.00 H new ATOM 0 HG13 ILE A 51 14.348 1.056 6.771 1.00 1.00 H new ATOM 0 HG21 ILE A 51 16.050 0.906 3.997 1.00 1.00 H new ATOM 0 HG22 ILE A 51 17.084 2.316 4.324 1.00 1.00 H new ATOM 0 HG23 ILE A 51 16.840 1.082 5.582 1.00 1.00 H new ATOM 0 HD11 ILE A 51 11.962 1.499 6.287 1.00 1.00 H new ATOM 0 HD12 ILE A 51 12.825 3.022 6.608 1.00 1.00 H new ATOM 0 HD13 ILE A 51 12.425 2.561 4.937 1.00 1.00 H new ATOM 855 N ARG A 52 17.928 3.044 6.876 1.00 1.00 N ATOM 856 CA ARG A 52 19.058 2.602 7.676 1.00 1.00 C ATOM 857 C ARG A 52 19.044 3.336 9.019 1.00 1.00 C ATOM 858 O ARG A 52 19.146 2.666 10.058 1.00 1.00 O ATOM 859 CB ARG A 52 20.388 2.871 6.970 1.00 1.00 C ATOM 860 CG ARG A 52 21.551 2.846 7.964 1.00 1.00 C ATOM 861 CD ARG A 52 22.872 2.543 7.254 1.00 1.00 C ATOM 862 NE ARG A 52 23.944 2.322 8.251 1.00 1.00 N ATOM 863 CZ ARG A 52 24.590 3.314 8.900 1.00 1.00 C ATOM 864 NH1 ARG A 52 24.256 4.586 8.640 1.00 1.00 N ATOM 865 NH2 ARG A 52 25.550 3.031 9.790 1.00 1.00 N ATOM 0 H ARG A 52 18.186 3.473 5.987 1.00 1.00 H new ATOM 0 HA ARG A 52 18.965 1.526 7.827 1.00 1.00 H new ATOM 0 HB2 ARG A 52 20.551 2.122 6.195 1.00 1.00 H new ATOM 0 HB3 ARG A 52 20.350 3.840 6.473 1.00 1.00 H new ATOM 0 HG2 ARG A 52 21.620 3.807 8.473 1.00 1.00 H new ATOM 0 HG3 ARG A 52 21.364 2.093 8.729 1.00 1.00 H new ATOM 0 HD2 ARG A 52 22.762 1.660 6.625 1.00 1.00 H new ATOM 0 HD3 ARG A 52 23.140 3.371 6.598 1.00 1.00 H new ATOM 0 HE ARG A 52 24.211 1.360 8.461 1.00 1.00 H new ATOM 0 HH11 ARG A 52 23.524 4.792 7.961 1.00 1.00 H new ATOM 0 HH12 ARG A 52 24.734 5.347 9.122 1.00 1.00 H new ATOM 0 HH21 ARG A 52 25.798 2.060 9.982 1.00 1.00 H new ATOM 0 HH22 ARG A 52 26.033 3.786 10.276 1.00 1.00 H new ATOM 879 N HIS A 53 18.920 4.674 8.973 1.00 1.00 N ATOM 880 CA HIS A 53 18.894 5.487 10.177 1.00 1.00 C ATOM 881 C HIS A 53 17.576 5.252 10.917 1.00 1.00 C ATOM 882 O HIS A 53 17.621 4.901 12.105 1.00 1.00 O ATOM 883 CB HIS A 53 19.134 6.962 9.847 1.00 1.00 C ATOM 884 CG HIS A 53 20.581 7.304 9.582 1.00 1.00 C ATOM 885 ND1 HIS A 53 21.200 8.417 10.124 1.00 1.00 N ATOM 886 CD2 HIS A 53 21.523 6.668 8.828 1.00 1.00 C ATOM 887 CE1 HIS A 53 22.457 8.441 9.707 1.00 1.00 C ATOM 888 NE2 HIS A 53 22.655 7.356 8.903 1.00 1.00 N ATOM 0 H HIS A 53 18.837 5.206 8.107 1.00 1.00 H new ATOM 0 HA HIS A 53 19.707 5.190 10.840 1.00 1.00 H new ATOM 0 HB2 HIS A 53 18.542 7.229 8.972 1.00 1.00 H new ATOM 0 HB3 HIS A 53 18.773 7.572 10.675 1.00 1.00 H new ATOM 0 HD2 HIS A 53 21.373 5.758 8.265 1.00 1.00 H new ATOM 0 HE1 HIS A 53 23.195 9.188 9.959 1.00 1.00 H new ATOM 0 HE2 HIS A 53 23.529 7.114 8.437 1.00 1.00 H new ATOM 896 N ASN A 54 16.447 5.446 10.213 1.00 1.00 N ATOM 897 CA ASN A 54 15.131 5.256 10.799 1.00 1.00 C ATOM 898 C ASN A 54 15.048 3.858 11.414 1.00 1.00 C ATOM 899 O ASN A 54 14.546 3.737 12.541 1.00 1.00 O ATOM 900 CB ASN A 54 14.033 5.373 9.739 1.00 1.00 C ATOM 901 CG ASN A 54 13.815 6.832 9.334 1.00 1.00 C ATOM 902 OD1 ASN A 54 13.432 7.674 10.130 1.00 1.00 O ATOM 903 ND2 ASN A 54 14.080 7.084 8.056 1.00 1.00 N ATOM 0 H ASN A 54 16.432 5.735 9.235 1.00 1.00 H new ATOM 0 HA ASN A 54 14.985 6.027 11.556 1.00 1.00 H new ATOM 0 HB2 ASN A 54 14.305 4.785 8.862 1.00 1.00 H new ATOM 0 HB3 ASN A 54 13.103 4.956 10.126 1.00 1.00 H new ATOM 0 HD21 ASN A 54 13.966 8.029 7.688 1.00 1.00 H new ATOM 0 HD22 ASN A 54 14.397 6.333 7.443 1.00 1.00 H new ATOM 910 N LEU A 55 15.533 2.845 10.673 1.00 1.00 N ATOM 911 CA LEU A 55 15.514 1.470 11.142 1.00 1.00 C ATOM 912 C LEU A 55 16.195 1.393 12.511 1.00 1.00 C ATOM 913 O LEU A 55 15.583 0.853 13.444 1.00 1.00 O ATOM 914 CB LEU A 55 16.129 0.538 10.096 1.00 1.00 C ATOM 915 CG LEU A 55 16.306 -0.922 10.519 1.00 1.00 C ATOM 916 CD1 LEU A 55 15.010 -1.710 10.322 1.00 1.00 C ATOM 917 CD2 LEU A 55 17.485 -1.565 9.787 1.00 1.00 C ATOM 0 H LEU A 55 15.941 2.966 9.746 1.00 1.00 H new ATOM 0 HA LEU A 55 14.488 1.128 11.276 1.00 1.00 H new ATOM 0 HB2 LEU A 55 15.504 0.564 9.203 1.00 1.00 H new ATOM 0 HB3 LEU A 55 17.104 0.934 9.814 1.00 1.00 H new ATOM 0 HG LEU A 55 16.538 -0.944 11.584 1.00 1.00 H new ATOM 0 HD11 LEU A 55 15.163 -2.744 10.630 1.00 1.00 H new ATOM 0 HD12 LEU A 55 14.218 -1.265 10.925 1.00 1.00 H new ATOM 0 HD13 LEU A 55 14.724 -1.683 9.271 1.00 1.00 H new ATOM 0 HD21 LEU A 55 17.589 -2.602 10.106 1.00 1.00 H new ATOM 0 HD22 LEU A 55 17.308 -1.532 8.712 1.00 1.00 H new ATOM 0 HD23 LEU A 55 18.400 -1.020 10.021 1.00 1.00 H new ATOM 929 N SER A 56 17.427 1.924 12.601 1.00 1.00 N ATOM 930 CA SER A 56 18.181 1.915 13.843 1.00 1.00 C ATOM 931 C SER A 56 17.509 2.853 14.849 1.00 1.00 C ATOM 932 O SER A 56 17.439 2.494 16.034 1.00 1.00 O ATOM 933 CB SER A 56 19.635 2.332 13.619 1.00 1.00 C ATOM 934 OG SER A 56 19.750 3.713 13.285 1.00 1.00 O ATOM 0 H SER A 56 17.913 2.363 11.819 1.00 1.00 H new ATOM 0 HA SER A 56 18.189 0.898 14.235 1.00 1.00 H new ATOM 0 HB2 SER A 56 20.213 2.128 14.520 1.00 1.00 H new ATOM 0 HB3 SER A 56 20.066 1.729 12.820 1.00 1.00 H new ATOM 0 HG SER A 56 18.981 3.983 12.740 1.00 1.00 H new ATOM 940 N LEU A 57 17.035 4.015 14.365 1.00 1.00 N ATOM 941 CA LEU A 57 16.376 4.992 15.216 1.00 1.00 C ATOM 942 C LEU A 57 14.880 4.678 15.280 1.00 1.00 C ATOM 943 O LEU A 57 14.094 5.604 15.529 1.00 1.00 O ATOM 944 CB LEU A 57 16.687 6.412 14.741 1.00 1.00 C ATOM 945 CG LEU A 57 15.580 7.113 13.950 1.00 1.00 C ATOM 946 CD1 LEU A 57 14.829 8.115 14.828 1.00 1.00 C ATOM 947 CD2 LEU A 57 16.140 7.766 12.685 1.00 1.00 C ATOM 0 H LEU A 57 17.102 4.290 13.385 1.00 1.00 H new ATOM 0 HA LEU A 57 16.759 4.931 16.235 1.00 1.00 H new ATOM 0 HB2 LEU A 57 16.925 7.021 15.613 1.00 1.00 H new ATOM 0 HB3 LEU A 57 17.583 6.378 14.122 1.00 1.00 H new ATOM 0 HG LEU A 57 14.859 6.360 13.632 1.00 1.00 H new ATOM 0 HD11 LEU A 57 14.048 8.599 14.241 1.00 1.00 H new ATOM 0 HD12 LEU A 57 14.378 7.593 15.672 1.00 1.00 H new ATOM 0 HD13 LEU A 57 15.525 8.868 15.197 1.00 1.00 H new ATOM 0 HD21 LEU A 57 15.333 8.257 12.141 1.00 1.00 H new ATOM 0 HD22 LEU A 57 16.894 8.504 12.960 1.00 1.00 H new ATOM 0 HD23 LEU A 57 16.593 7.003 12.052 1.00 1.00 H new ATOM 959 N ASN A 58 14.522 3.401 15.059 1.00 1.00 N ATOM 960 CA ASN A 58 13.134 2.973 15.092 1.00 1.00 C ATOM 961 C ASN A 58 12.881 2.175 16.372 1.00 1.00 C ATOM 962 O ASN A 58 12.427 2.772 17.359 1.00 1.00 O ATOM 963 CB ASN A 58 12.807 2.071 13.900 1.00 1.00 C ATOM 964 CG ASN A 58 11.508 1.298 14.137 1.00 1.00 C ATOM 965 OD1 ASN A 58 11.506 0.137 14.512 1.00 1.00 O ATOM 966 ND2 ASN A 58 10.408 2.005 13.898 1.00 1.00 N ATOM 0 H ASN A 58 15.186 2.654 14.856 1.00 1.00 H new ATOM 0 HA ASN A 58 12.506 3.863 15.054 1.00 1.00 H new ATOM 0 HB2 ASN A 58 12.715 2.675 12.997 1.00 1.00 H new ATOM 0 HB3 ASN A 58 13.626 1.371 13.734 1.00 1.00 H new ATOM 0 HD21 ASN A 58 9.490 1.579 14.027 1.00 1.00 H new ATOM 0 HD22 ASN A 58 10.482 2.973 13.586 1.00 1.00 H new ATOM 973 N ASP A 59 13.175 0.863 16.332 1.00 1.00 N ATOM 974 CA ASP A 59 12.981 -0.005 17.481 1.00 1.00 C ATOM 975 C ASP A 59 14.176 0.132 18.427 1.00 1.00 C ATOM 976 O ASP A 59 14.003 -0.098 19.632 1.00 1.00 O ATOM 977 CB ASP A 59 12.883 -1.471 17.053 1.00 1.00 C ATOM 978 CG ASP A 59 11.617 -1.834 16.274 1.00 1.00 C ATOM 979 OD1 ASP A 59 10.522 -1.329 16.563 1.00 1.00 O ATOM 980 OD2 ASP A 59 11.789 -2.686 15.320 1.00 1.00 O ATOM 0 H ASP A 59 13.548 0.391 15.509 1.00 1.00 H new ATOM 0 HA ASP A 59 12.055 0.290 17.974 1.00 1.00 H new ATOM 0 HB2 ASP A 59 13.751 -1.714 16.440 1.00 1.00 H new ATOM 0 HB3 ASP A 59 12.936 -2.098 17.943 1.00 1.00 H new ATOM 985 N CYS A 60 15.345 0.498 17.871 1.00 1.00 N ATOM 986 CA CYS A 60 16.554 0.664 18.659 1.00 1.00 C ATOM 987 C CYS A 60 17.186 -0.707 18.910 1.00 1.00 C ATOM 988 O CYS A 60 17.663 -0.940 20.030 1.00 1.00 O ATOM 989 CB CYS A 60 16.263 1.406 19.966 1.00 1.00 C ATOM 990 SG CYS A 60 15.498 3.040 19.760 1.00 1.00 S ATOM 0 H CYS A 60 15.466 0.682 16.875 1.00 1.00 H new ATOM 0 HA CYS A 60 17.265 1.277 18.105 1.00 1.00 H new ATOM 0 HB2 CYS A 60 15.607 0.788 20.580 1.00 1.00 H new ATOM 0 HB3 CYS A 60 17.197 1.524 20.516 1.00 1.00 H new ATOM 0 HG CYS A 60 15.295 3.574 20.928 1.00 1.00 H new ATOM 996 N PHE A 61 17.177 -1.571 17.879 1.00 1.00 N ATOM 997 CA PHE A 61 17.746 -2.904 17.988 1.00 1.00 C ATOM 998 C PHE A 61 19.270 -2.812 17.901 1.00 1.00 C ATOM 999 O PHE A 61 19.793 -1.688 17.875 1.00 1.00 O ATOM 1000 CB PHE A 61 17.186 -3.788 16.856 1.00 1.00 C ATOM 1001 CG PHE A 61 16.558 -3.019 15.701 1.00 1.00 C ATOM 1002 CD1 PHE A 61 17.329 -2.102 14.950 1.00 1.00 C ATOM 1003 CD2 PHE A 61 15.195 -3.215 15.378 1.00 1.00 C ATOM 1004 CE1 PHE A 61 16.742 -1.388 13.884 1.00 1.00 C ATOM 1005 CE2 PHE A 61 14.609 -2.501 14.311 1.00 1.00 C ATOM 1006 CZ PHE A 61 15.382 -1.588 13.564 1.00 1.00 C ATOM 0 H PHE A 61 16.779 -1.359 16.964 1.00 1.00 H new ATOM 0 HA PHE A 61 17.479 -3.351 18.946 1.00 1.00 H new ATOM 0 HB2 PHE A 61 17.992 -4.409 16.466 1.00 1.00 H new ATOM 0 HB3 PHE A 61 16.439 -4.462 17.275 1.00 1.00 H new ATOM 0 HD1 PHE A 61 18.370 -1.948 15.193 1.00 1.00 H new ATOM 0 HD2 PHE A 61 14.601 -3.913 15.949 1.00 1.00 H new ATOM 0 HE1 PHE A 61 17.334 -0.688 13.313 1.00 1.00 H new ATOM 0 HE2 PHE A 61 13.568 -2.654 14.066 1.00 1.00 H new ATOM 0 HZ PHE A 61 14.933 -1.042 12.747 1.00 1.00 H new ATOM 1016 N VAL A 62 19.942 -3.976 17.858 1.00 1.00 N ATOM 1017 CA VAL A 62 21.392 -4.026 17.775 1.00 1.00 C ATOM 1018 C VAL A 62 21.804 -4.456 16.366 1.00 1.00 C ATOM 1019 O VAL A 62 21.135 -5.333 15.798 1.00 1.00 O ATOM 1020 CB VAL A 62 21.948 -4.943 18.867 1.00 1.00 C ATOM 1021 CG1 VAL A 62 23.457 -5.136 18.705 1.00 1.00 C ATOM 1022 CG2 VAL A 62 21.610 -4.405 20.258 1.00 1.00 C ATOM 0 H VAL A 62 19.492 -4.891 17.880 1.00 1.00 H new ATOM 0 HA VAL A 62 21.818 -3.038 17.951 1.00 1.00 H new ATOM 0 HB VAL A 62 21.473 -5.918 18.760 1.00 1.00 H new ATOM 0 HG11 VAL A 62 23.827 -5.792 19.493 1.00 1.00 H new ATOM 0 HG12 VAL A 62 23.664 -5.584 17.733 1.00 1.00 H new ATOM 0 HG13 VAL A 62 23.957 -4.170 18.773 1.00 1.00 H new ATOM 0 HG21 VAL A 62 22.016 -5.075 21.016 1.00 1.00 H new ATOM 0 HG22 VAL A 62 22.045 -3.413 20.380 1.00 1.00 H new ATOM 0 HG23 VAL A 62 20.528 -4.343 20.371 1.00 1.00 H new ATOM 1032 N LYS A 63 22.878 -3.842 15.838 1.00 1.00 N ATOM 1033 CA LYS A 63 23.370 -4.160 14.508 1.00 1.00 C ATOM 1034 C LYS A 63 24.771 -4.765 14.619 1.00 1.00 C ATOM 1035 O LYS A 63 25.572 -4.256 15.418 1.00 1.00 O ATOM 1036 CB LYS A 63 23.302 -2.929 13.603 1.00 1.00 C ATOM 1037 CG LYS A 63 24.136 -1.781 14.174 1.00 1.00 C ATOM 1038 CD LYS A 63 23.306 -0.500 14.281 1.00 1.00 C ATOM 1039 CE LYS A 63 23.959 0.643 13.501 1.00 1.00 C ATOM 1040 NZ LYS A 63 24.093 1.837 14.352 1.00 1.00 N ATOM 0 H LYS A 63 23.415 -3.123 16.322 1.00 1.00 H new ATOM 0 HA LYS A 63 22.735 -4.909 14.036 1.00 1.00 H new ATOM 0 HB2 LYS A 63 23.663 -3.185 12.607 1.00 1.00 H new ATOM 0 HB3 LYS A 63 22.265 -2.611 13.494 1.00 1.00 H new ATOM 0 HG2 LYS A 63 24.515 -2.056 15.158 1.00 1.00 H new ATOM 0 HG3 LYS A 63 25.003 -1.605 13.537 1.00 1.00 H new ATOM 0 HD2 LYS A 63 22.302 -0.680 13.897 1.00 1.00 H new ATOM 0 HD3 LYS A 63 23.201 -0.217 15.328 1.00 1.00 H new ATOM 0 HE2 LYS A 63 24.940 0.333 13.143 1.00 1.00 H new ATOM 0 HE3 LYS A 63 23.359 0.881 12.622 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 24.538 2.603 13.807 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 23.152 2.142 14.673 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 24.684 1.611 15.177 1.00 1.00 H new ATOM 1054 N ILE A 64 25.036 -5.821 13.830 1.00 1.00 N ATOM 1055 CA ILE A 64 26.328 -6.485 13.840 1.00 1.00 C ATOM 1056 C ILE A 64 27.344 -5.628 13.081 1.00 1.00 C ATOM 1057 O ILE A 64 27.094 -5.319 11.907 1.00 1.00 O ATOM 1058 CB ILE A 64 26.202 -7.911 13.299 1.00 1.00 C ATOM 1059 CG1 ILE A 64 25.395 -8.790 14.256 1.00 1.00 C ATOM 1060 CG2 ILE A 64 27.578 -8.506 12.996 1.00 1.00 C ATOM 1061 CD1 ILE A 64 25.155 -10.177 13.656 1.00 1.00 C ATOM 0 H ILE A 64 24.363 -6.225 13.179 1.00 1.00 H new ATOM 0 HA ILE A 64 26.695 -6.587 14.861 1.00 1.00 H new ATOM 0 HB ILE A 64 25.654 -7.873 12.357 1.00 1.00 H new ATOM 0 HG12 ILE A 64 25.927 -8.886 15.203 1.00 1.00 H new ATOM 0 HG13 ILE A 64 24.439 -8.314 14.474 1.00 1.00 H new ATOM 0 HG21 ILE A 64 27.460 -9.520 12.613 1.00 1.00 H new ATOM 0 HG22 ILE A 64 28.083 -7.893 12.250 1.00 1.00 H new ATOM 0 HG23 ILE A 64 28.173 -8.530 13.909 1.00 1.00 H new ATOM 0 HD11 ILE A 64 24.579 -10.782 14.357 1.00 1.00 H new ATOM 0 HD12 ILE A 64 24.602 -10.079 12.722 1.00 1.00 H new ATOM 0 HD13 ILE A 64 26.113 -10.660 13.462 1.00 1.00 H new ATOM 1073 N PRO A 65 28.450 -5.267 13.756 1.00 1.00 N ATOM 1074 CA PRO A 65 29.510 -4.455 13.182 1.00 1.00 C ATOM 1075 C PRO A 65 30.363 -5.274 12.211 1.00 1.00 C ATOM 1076 O PRO A 65 31.596 -5.175 12.281 1.00 1.00 O ATOM 1077 CB PRO A 65 30.299 -3.938 14.374 1.00 1.00 C ATOM 1078 CG PRO A 65 29.939 -4.848 15.538 1.00 1.00 C ATOM 1079 CD PRO A 65 28.710 -5.650 15.140 1.00 1.00 C ATOM 0 HA PRO A 65 29.129 -3.627 12.584 1.00 1.00 H new ATOM 0 HB2 PRO A 65 31.370 -3.964 14.174 1.00 1.00 H new ATOM 0 HB3 PRO A 65 30.041 -2.902 14.594 1.00 1.00 H new ATOM 0 HG2 PRO A 65 30.769 -5.514 15.773 1.00 1.00 H new ATOM 0 HG3 PRO A 65 29.738 -4.261 16.434 1.00 1.00 H new ATOM 0 HD2 PRO A 65 28.891 -6.721 15.227 1.00 1.00 H new ATOM 0 HD3 PRO A 65 27.860 -5.417 15.782 1.00 1.00 H new ATOM 1087 N ARG A 66 29.700 -6.053 11.337 1.00 1.00 N ATOM 1088 CA ARG A 66 30.392 -6.879 10.363 1.00 1.00 C ATOM 1089 C ARG A 66 31.329 -7.844 11.093 1.00 1.00 C ATOM 1090 O ARG A 66 32.552 -7.658 11.006 1.00 1.00 O ATOM 1091 CB ARG A 66 31.207 -6.032 9.383 1.00 1.00 C ATOM 1092 CG ARG A 66 31.998 -6.918 8.419 1.00 1.00 C ATOM 1093 CD ARG A 66 33.437 -6.418 8.271 1.00 1.00 C ATOM 1094 NE ARG A 66 34.064 -7.026 7.076 1.00 1.00 N ATOM 1095 CZ ARG A 66 35.246 -6.631 6.557 1.00 1.00 C ATOM 1096 NH1 ARG A 66 35.910 -5.627 7.146 1.00 1.00 N ATOM 1097 NH2 ARG A 66 35.747 -7.233 5.471 1.00 1.00 N ATOM 0 H ARG A 66 28.683 -6.119 11.295 1.00 1.00 H new ATOM 0 HA ARG A 66 29.643 -7.430 9.794 1.00 1.00 H new ATOM 0 HB2 ARG A 66 30.540 -5.380 8.819 1.00 1.00 H new ATOM 0 HB3 ARG A 66 31.891 -5.388 9.935 1.00 1.00 H new ATOM 0 HG2 ARG A 66 32.002 -7.945 8.783 1.00 1.00 H new ATOM 0 HG3 ARG A 66 31.510 -6.927 7.444 1.00 1.00 H new ATOM 0 HD2 ARG A 66 33.446 -5.332 8.183 1.00 1.00 H new ATOM 0 HD3 ARG A 66 34.012 -6.671 9.162 1.00 1.00 H new ATOM 0 HE ARG A 66 33.572 -7.792 6.616 1.00 1.00 H new ATOM 0 HH11 ARG A 66 35.521 -5.174 7.973 1.00 1.00 H new ATOM 0 HH12 ARG A 66 36.804 -5.316 6.767 1.00 1.00 H new ATOM 0 HH21 ARG A 66 35.235 -7.996 5.029 1.00 1.00 H new ATOM 0 HH22 ARG A 66 36.641 -6.928 5.086 1.00 1.00 H new ATOM 1111 N GLU A 67 30.747 -8.840 11.785 1.00 1.00 N ATOM 1112 CA GLU A 67 31.525 -9.823 12.521 1.00 1.00 C ATOM 1113 C GLU A 67 32.173 -10.797 11.535 1.00 1.00 C ATOM 1114 O GLU A 67 31.521 -11.150 10.542 1.00 1.00 O ATOM 1115 CB GLU A 67 30.665 -10.568 13.543 1.00 1.00 C ATOM 1116 CG GLU A 67 30.881 -10.011 14.952 1.00 1.00 C ATOM 1117 CD GLU A 67 31.629 -11.016 15.830 1.00 1.00 C ATOM 1118 OE1 GLU A 67 31.435 -12.232 15.684 1.00 1.00 O ATOM 1119 OE2 GLU A 67 32.438 -10.494 16.689 1.00 1.00 O ATOM 0 H GLU A 67 29.738 -8.976 11.843 1.00 1.00 H new ATOM 0 HA GLU A 67 32.305 -9.305 13.079 1.00 1.00 H new ATOM 0 HB2 GLU A 67 29.613 -10.481 13.271 1.00 1.00 H new ATOM 0 HB3 GLU A 67 30.912 -11.630 13.526 1.00 1.00 H new ATOM 0 HG2 GLU A 67 31.446 -9.080 14.896 1.00 1.00 H new ATOM 0 HG3 GLU A 67 29.918 -9.773 15.404 1.00 1.00 H new ATOM 1204 N GLY A 74 23.726 -10.082 5.194 1.00 1.00 N ATOM 1205 CA GLY A 74 24.086 -8.783 5.736 1.00 1.00 C ATOM 1206 C GLY A 74 24.457 -8.936 7.213 1.00 1.00 C ATOM 1207 O GLY A 74 25.509 -9.526 7.498 1.00 1.00 O ATOM 0 HA2 GLY A 74 24.925 -8.364 5.180 1.00 1.00 H new ATOM 0 HA3 GLY A 74 23.253 -8.088 5.629 1.00 1.00 H new ATOM 1211 N ASN A 75 23.600 -8.410 8.107 1.00 1.00 N ATOM 1212 CA ASN A 75 23.837 -8.488 9.538 1.00 1.00 C ATOM 1213 C ASN A 75 22.637 -9.155 10.214 1.00 1.00 C ATOM 1214 O ASN A 75 21.756 -9.651 9.496 1.00 1.00 O ATOM 1215 CB ASN A 75 24.007 -7.094 10.145 1.00 1.00 C ATOM 1216 CG ASN A 75 25.165 -6.345 9.482 1.00 1.00 C ATOM 1217 OD1 ASN A 75 26.330 -6.588 9.750 1.00 1.00 O ATOM 1218 ND2 ASN A 75 24.780 -5.424 8.604 1.00 1.00 N ATOM 0 H ASN A 75 22.739 -7.928 7.851 1.00 1.00 H new ATOM 0 HA ASN A 75 24.748 -9.064 9.698 1.00 1.00 H new ATOM 0 HB2 ASN A 75 23.085 -6.526 10.024 1.00 1.00 H new ATOM 0 HB3 ASN A 75 24.190 -7.180 11.216 1.00 1.00 H new ATOM 0 HD21 ASN A 75 25.478 -4.870 8.107 1.00 1.00 H new ATOM 0 HD22 ASN A 75 23.787 -5.272 8.427 1.00 1.00 H new ATOM 1225 N TYR A 76 22.625 -9.154 11.559 1.00 1.00 N ATOM 1226 CA TYR A 76 21.516 -9.775 12.261 1.00 1.00 C ATOM 1227 C TYR A 76 20.940 -8.783 13.274 1.00 1.00 C ATOM 1228 O TYR A 76 21.209 -8.953 14.472 1.00 1.00 O ATOM 1229 CB TYR A 76 21.979 -11.079 12.935 1.00 1.00 C ATOM 1230 CG TYR A 76 22.561 -12.112 11.980 1.00 1.00 C ATOM 1231 CD1 TYR A 76 22.041 -12.250 10.672 1.00 1.00 C ATOM 1232 CD2 TYR A 76 23.624 -12.944 12.400 1.00 1.00 C ATOM 1233 CE1 TYR A 76 22.581 -13.211 9.791 1.00 1.00 C ATOM 1234 CE2 TYR A 76 24.164 -13.905 11.519 1.00 1.00 C ATOM 1235 CZ TYR A 76 23.644 -14.039 10.214 1.00 1.00 C ATOM 1236 OH TYR A 76 24.171 -14.969 9.364 1.00 1.00 O ATOM 0 H TYR A 76 23.346 -8.744 12.152 1.00 1.00 H new ATOM 0 HA TYR A 76 20.728 -10.037 11.555 1.00 1.00 H new ATOM 0 HB2 TYR A 76 22.728 -10.837 13.689 1.00 1.00 H new ATOM 0 HB3 TYR A 76 21.132 -11.523 13.458 1.00 1.00 H new ATOM 0 HD1 TYR A 76 21.228 -11.618 10.346 1.00 1.00 H new ATOM 0 HD2 TYR A 76 24.024 -12.844 13.398 1.00 1.00 H new ATOM 0 HE1 TYR A 76 22.181 -13.313 8.793 1.00 1.00 H new ATOM 0 HE2 TYR A 76 24.976 -14.539 11.844 1.00 1.00 H new ATOM 0 HH TYR A 76 24.895 -15.451 9.815 1.00 1.00 H new ATOM 1246 N TRP A 77 20.182 -7.784 12.788 1.00 1.00 N ATOM 1247 CA TRP A 77 19.590 -6.777 13.651 1.00 1.00 C ATOM 1248 C TRP A 77 18.407 -7.389 14.405 1.00 1.00 C ATOM 1249 O TRP A 77 17.558 -8.019 13.758 1.00 1.00 O ATOM 1250 CB TRP A 77 19.203 -5.541 12.836 1.00 1.00 C ATOM 1251 CG TRP A 77 20.389 -4.837 12.173 1.00 1.00 C ATOM 1252 CD1 TRP A 77 21.528 -5.384 11.725 1.00 1.00 C ATOM 1253 CD2 TRP A 77 20.507 -3.425 11.899 1.00 1.00 C ATOM 1254 NE1 TRP A 77 22.368 -4.432 11.185 1.00 1.00 N ATOM 1255 CE2 TRP A 77 21.728 -3.203 11.294 1.00 1.00 C ATOM 1256 CE3 TRP A 77 19.613 -2.371 12.153 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 22.164 -1.935 10.893 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 20.064 -1.110 11.747 1.00 1.00 C ATOM 1259 CH2 TRP A 77 21.290 -0.869 11.137 1.00 1.00 C ATOM 0 H TRP A 77 19.971 -7.663 11.797 1.00 1.00 H new ATOM 0 HA TRP A 77 20.314 -6.443 14.394 1.00 1.00 H new ATOM 0 HB2 TRP A 77 18.491 -5.835 12.065 1.00 1.00 H new ATOM 0 HB3 TRP A 77 18.692 -4.833 13.489 1.00 1.00 H new ATOM 0 HD1 TRP A 77 21.759 -6.438 11.780 1.00 1.00 H new ATOM 0 HE1 TRP A 77 23.289 -4.599 10.780 1.00 1.00 H new ATOM 0 HE3 TRP A 77 18.653 -2.522 12.625 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 23.124 -1.787 10.420 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 19.414 -0.265 11.920 1.00 1.00 H new ATOM 0 HH2 TRP A 77 21.567 0.136 10.853 1.00 1.00 H new ATOM 1270 N THR A 78 18.376 -7.196 15.736 1.00 1.00 N ATOM 1271 CA THR A 78 17.308 -7.726 16.566 1.00 1.00 C ATOM 1272 C THR A 78 16.938 -6.694 17.633 1.00 1.00 C ATOM 1273 O THR A 78 17.819 -5.920 18.035 1.00 1.00 O ATOM 1274 CB THR A 78 17.761 -9.066 17.148 1.00 1.00 C ATOM 1275 OG1 THR A 78 17.095 -9.141 18.406 1.00 1.00 O ATOM 1276 CG2 THR A 78 19.247 -9.075 17.513 1.00 1.00 C ATOM 0 H THR A 78 19.086 -6.674 16.250 1.00 1.00 H new ATOM 0 HA THR A 78 16.404 -7.913 15.986 1.00 1.00 H new ATOM 0 HB THR A 78 17.559 -9.860 16.429 1.00 1.00 H new ATOM 0 HG1 THR A 78 17.331 -9.981 18.852 1.00 1.00 H new ATOM 0 HG21 THR A 78 19.515 -10.049 17.921 1.00 1.00 H new ATOM 0 HG22 THR A 78 19.842 -8.879 16.621 1.00 1.00 H new ATOM 0 HG23 THR A 78 19.444 -8.303 18.257 1.00 1.00 H new ATOM 1284 N LEU A 79 15.663 -6.702 18.062 1.00 1.00 N ATOM 1285 CA LEU A 79 15.185 -5.774 19.072 1.00 1.00 C ATOM 1286 C LEU A 79 15.939 -6.017 20.381 1.00 1.00 C ATOM 1287 O LEU A 79 16.110 -7.187 20.755 1.00 1.00 O ATOM 1288 CB LEU A 79 13.664 -5.871 19.212 1.00 1.00 C ATOM 1289 CG LEU A 79 12.863 -4.690 18.660 1.00 1.00 C ATOM 1290 CD1 LEU A 79 12.304 -5.007 17.271 1.00 1.00 C ATOM 1291 CD2 LEU A 79 11.764 -4.268 19.637 1.00 1.00 C ATOM 0 H LEU A 79 14.953 -7.347 17.716 1.00 1.00 H new ATOM 0 HA LEU A 79 15.390 -4.746 18.772 1.00 1.00 H new ATOM 0 HB2 LEU A 79 13.330 -6.778 18.708 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.423 -5.986 20.269 1.00 1.00 H new ATOM 0 HG LEU A 79 13.539 -3.842 18.549 1.00 1.00 H new ATOM 0 HD11 LEU A 79 11.739 -4.151 16.902 1.00 1.00 H new ATOM 0 HD12 LEU A 79 13.126 -5.221 16.588 1.00 1.00 H new ATOM 0 HD13 LEU A 79 11.648 -5.875 17.332 1.00 1.00 H new ATOM 0 HD21 LEU A 79 11.210 -3.427 19.220 1.00 1.00 H new ATOM 0 HD22 LEU A 79 11.084 -5.104 19.803 1.00 1.00 H new ATOM 0 HD23 LEU A 79 12.214 -3.972 20.585 1.00 1.00 H new ATOM 1303 N ASP A 80 16.368 -4.926 21.040 1.00 1.00 N ATOM 1304 CA ASP A 80 17.096 -5.021 22.294 1.00 1.00 C ATOM 1305 C ASP A 80 16.121 -5.372 23.420 1.00 1.00 C ATOM 1306 O ASP A 80 14.929 -5.059 23.286 1.00 1.00 O ATOM 1307 CB ASP A 80 17.765 -3.690 22.645 1.00 1.00 C ATOM 1308 CG ASP A 80 16.800 -2.546 22.965 1.00 1.00 C ATOM 1309 OD1 ASP A 80 15.580 -2.749 23.064 1.00 1.00 O ATOM 1310 OD2 ASP A 80 17.354 -1.391 23.116 1.00 1.00 O ATOM 0 H ASP A 80 16.217 -3.971 20.715 1.00 1.00 H new ATOM 0 HA ASP A 80 17.860 -5.790 22.183 1.00 1.00 H new ATOM 0 HB2 ASP A 80 18.419 -3.844 23.503 1.00 1.00 H new ATOM 0 HB3 ASP A 80 18.399 -3.388 21.811 1.00 1.00 H new