USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=19 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 49 ASN : amide:sc= -1.24 K(o=-1.5,f=-3.3!) USER MOD Set 1.2: A 53 HIS : no HD1:sc= -0.26 X(o=-1.5,f=-1.6) USER MOD Set 2.1: A 8 TYR OH : rot -66:sc= -1.56! USER MOD Set 2.2: A 50 SER OG : rot 87:sc= -1.16 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 14 MET CE :methyl -175:sc= -1.47 (180deg=-2.06) USER MOD Single : A 18 GLN : amide:sc= -0.222 K(o=-0.22,f=-1.2) USER MOD Single : A 19 SER OG : rot -118:sc= 0.371 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= -0.0419 (180deg=-0.301) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 12:sc= 1.01 USER MOD Single : A 27 SER OG : rot 140:sc= -1.66 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc=-0.00865 X(o=-0.0086,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -6.18! C(o=-7!,f=-6.2!) USER MOD Single : A 60 CYS SG : rot -32:sc= -1.47! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0488 F(o=-0.57,f=-0.049) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.7! USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 -2.489 -10.967 -9.015 1.00 1.00 N ATOM 106 CA SER A 7 -3.516 -11.534 -9.872 1.00 1.00 C ATOM 107 C SER A 7 -4.876 -11.410 -9.183 1.00 1.00 C ATOM 108 O SER A 7 -4.944 -10.769 -8.124 1.00 1.00 O ATOM 109 CB SER A 7 -3.221 -12.998 -10.205 1.00 1.00 C ATOM 110 OG SER A 7 -3.534 -13.311 -11.559 1.00 1.00 O ATOM 0 HA SER A 7 -3.528 -10.980 -10.811 1.00 1.00 H new ATOM 0 HB2 SER A 7 -2.168 -13.207 -10.019 1.00 1.00 H new ATOM 0 HB3 SER A 7 -3.796 -13.644 -9.541 1.00 1.00 H new ATOM 0 HG SER A 7 -3.330 -14.254 -11.732 1.00 1.00 H new ATOM 116 N TYR A 8 -5.914 -12.017 -9.786 1.00 1.00 N ATOM 117 CA TYR A 8 -7.234 -11.933 -9.184 1.00 1.00 C ATOM 118 C TYR A 8 -7.364 -13.004 -8.099 1.00 1.00 C ATOM 119 O TYR A 8 -7.319 -12.641 -6.914 1.00 1.00 O ATOM 120 CB TYR A 8 -8.320 -12.079 -10.266 1.00 1.00 C ATOM 121 CG TYR A 8 -9.561 -11.229 -10.033 1.00 1.00 C ATOM 122 CD1 TYR A 8 -10.358 -11.441 -8.884 1.00 1.00 C ATOM 123 CD2 TYR A 8 -9.922 -10.221 -10.957 1.00 1.00 C ATOM 124 CE1 TYR A 8 -11.508 -10.654 -8.663 1.00 1.00 C ATOM 125 CE2 TYR A 8 -11.072 -9.434 -10.735 1.00 1.00 C ATOM 126 CZ TYR A 8 -11.867 -9.650 -9.588 1.00 1.00 C ATOM 127 OH TYR A 8 -12.981 -8.891 -9.370 1.00 1.00 O ATOM 0 H TYR A 8 -5.860 -12.548 -10.655 1.00 1.00 H new ATOM 0 HA TYR A 8 -7.369 -10.957 -8.717 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -7.890 -11.815 -11.232 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -8.618 -13.126 -10.325 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -10.086 -12.208 -8.174 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -9.316 -10.053 -11.835 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -12.114 -10.820 -7.785 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -11.345 -8.665 -11.443 1.00 1.00 H new ATOM 0 HH TYR A 8 -13.779 -9.457 -9.427 1.00 1.00 H new ATOM 137 N ILE A 9 -7.528 -14.274 -8.511 1.00 1.00 N ATOM 138 CA ILE A 9 -7.672 -15.375 -7.574 1.00 1.00 C ATOM 139 C ILE A 9 -6.423 -15.456 -6.693 1.00 1.00 C ATOM 140 O ILE A 9 -6.543 -15.890 -5.538 1.00 1.00 O ATOM 141 CB ILE A 9 -7.986 -16.674 -8.318 1.00 1.00 C ATOM 142 CG1 ILE A 9 -8.119 -17.846 -7.343 1.00 1.00 C ATOM 143 CG2 ILE A 9 -6.945 -16.948 -9.405 1.00 1.00 C ATOM 144 CD1 ILE A 9 -9.571 -18.020 -6.890 1.00 1.00 C ATOM 0 H ILE A 9 -7.563 -14.552 -9.492 1.00 1.00 H new ATOM 0 HA ILE A 9 -8.519 -15.203 -6.911 1.00 1.00 H new ATOM 0 HB ILE A 9 -8.949 -16.559 -8.816 1.00 1.00 H new ATOM 0 HG12 ILE A 9 -7.771 -18.762 -7.820 1.00 1.00 H new ATOM 0 HG13 ILE A 9 -7.481 -17.676 -6.475 1.00 1.00 H new ATOM 0 HG21 ILE A 9 -7.191 -17.877 -9.919 1.00 1.00 H new ATOM 0 HG22 ILE A 9 -6.942 -16.127 -10.122 1.00 1.00 H new ATOM 0 HG23 ILE A 9 -5.958 -17.036 -8.950 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -9.638 -18.859 -6.198 1.00 1.00 H new ATOM 0 HD12 ILE A 9 -9.908 -17.111 -6.392 1.00 1.00 H new ATOM 0 HD13 ILE A 9 -10.202 -18.214 -7.757 1.00 1.00 H new ATOM 156 N ALA A 10 -5.268 -15.046 -7.247 1.00 1.00 N ATOM 157 CA ALA A 10 -4.012 -15.073 -6.517 1.00 1.00 C ATOM 158 C ALA A 10 -4.175 -14.308 -5.202 1.00 1.00 C ATOM 159 O ALA A 10 -3.543 -14.699 -4.209 1.00 1.00 O ATOM 160 CB ALA A 10 -2.937 -14.331 -7.314 1.00 1.00 C ATOM 0 H ALA A 10 -5.191 -14.693 -8.201 1.00 1.00 H new ATOM 0 HA ALA A 10 -3.734 -16.113 -6.347 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -1.996 -14.353 -6.764 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -2.803 -14.814 -8.282 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -3.245 -13.296 -7.465 1.00 1.00 H new ATOM 166 N LEU A 11 -5.005 -13.250 -5.219 1.00 1.00 N ATOM 167 CA LEU A 11 -5.247 -12.441 -4.037 1.00 1.00 C ATOM 168 C LEU A 11 -6.276 -13.140 -3.147 1.00 1.00 C ATOM 169 O LEU A 11 -6.198 -12.984 -1.919 1.00 1.00 O ATOM 170 CB LEU A 11 -5.643 -11.017 -4.433 1.00 1.00 C ATOM 171 CG LEU A 11 -7.117 -10.804 -4.785 1.00 1.00 C ATOM 172 CD1 LEU A 11 -7.869 -10.153 -3.623 1.00 1.00 C ATOM 173 CD2 LEU A 11 -7.262 -10.006 -6.081 1.00 1.00 C ATOM 0 H LEU A 11 -5.516 -12.944 -6.047 1.00 1.00 H new ATOM 0 HA LEU A 11 -4.333 -12.342 -3.451 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -5.386 -10.348 -3.612 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -5.039 -10.718 -5.289 1.00 1.00 H new ATOM 0 HG LEU A 11 -7.572 -11.780 -4.956 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -8.914 -10.013 -3.899 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -7.809 -10.796 -2.745 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -7.421 -9.186 -3.396 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -8.319 -9.869 -6.308 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -6.787 -9.032 -5.964 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -6.783 -10.547 -6.897 1.00 1.00 H new ATOM 185 N ILE A 12 -7.205 -13.886 -3.772 1.00 1.00 N ATOM 186 CA ILE A 12 -8.238 -14.601 -3.041 1.00 1.00 C ATOM 187 C ILE A 12 -7.584 -15.640 -2.129 1.00 1.00 C ATOM 188 O ILE A 12 -7.830 -15.596 -0.914 1.00 1.00 O ATOM 189 CB ILE A 12 -9.267 -15.191 -4.008 1.00 1.00 C ATOM 190 CG1 ILE A 12 -10.443 -14.233 -4.209 1.00 1.00 C ATOM 191 CG2 ILE A 12 -9.726 -16.574 -3.542 1.00 1.00 C ATOM 192 CD1 ILE A 12 -10.195 -13.302 -5.397 1.00 1.00 C ATOM 0 H ILE A 12 -7.252 -14.002 -4.784 1.00 1.00 H new ATOM 0 HA ILE A 12 -8.794 -13.918 -2.399 1.00 1.00 H new ATOM 0 HB ILE A 12 -8.789 -15.321 -4.979 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -11.357 -14.803 -4.374 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -10.594 -13.643 -3.305 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -10.457 -16.971 -4.246 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -8.868 -17.245 -3.493 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -10.181 -16.493 -2.555 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -11.046 -12.632 -5.518 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -9.294 -12.716 -5.218 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -10.068 -13.894 -6.303 1.00 1.00 H new ATOM 204 N THR A 13 -6.779 -16.540 -2.721 1.00 1.00 N ATOM 205 CA THR A 13 -6.099 -17.579 -1.966 1.00 1.00 C ATOM 206 C THR A 13 -5.525 -16.977 -0.681 1.00 1.00 C ATOM 207 O THR A 13 -5.549 -17.662 0.352 1.00 1.00 O ATOM 208 CB THR A 13 -5.038 -18.219 -2.863 1.00 1.00 C ATOM 209 OG1 THR A 13 -4.239 -17.121 -3.296 1.00 1.00 O ATOM 210 CG2 THR A 13 -5.628 -18.783 -4.157 1.00 1.00 C ATOM 0 H THR A 13 -6.590 -16.559 -3.723 1.00 1.00 H new ATOM 0 HA THR A 13 -6.786 -18.368 -1.661 1.00 1.00 H new ATOM 0 HB THR A 13 -4.534 -19.016 -2.316 1.00 1.00 H new ATOM 0 HG1 THR A 13 -3.525 -17.447 -3.882 1.00 1.00 H new ATOM 0 HG21 THR A 13 -4.833 -19.226 -4.757 1.00 1.00 H new ATOM 0 HG22 THR A 13 -6.369 -19.546 -3.917 1.00 1.00 H new ATOM 0 HG23 THR A 13 -6.103 -17.980 -4.720 1.00 1.00 H new ATOM 218 N MET A 14 -5.030 -15.729 -0.769 1.00 1.00 N ATOM 219 CA MET A 14 -4.458 -15.046 0.378 1.00 1.00 C ATOM 220 C MET A 14 -5.550 -14.806 1.421 1.00 1.00 C ATOM 221 O MET A 14 -5.277 -14.996 2.616 1.00 1.00 O ATOM 222 CB MET A 14 -3.855 -13.705 -0.048 1.00 1.00 C ATOM 223 CG MET A 14 -2.856 -13.892 -1.192 1.00 1.00 C ATOM 224 SD MET A 14 -2.073 -12.303 -1.598 1.00 1.00 S ATOM 225 CE MET A 14 -3.337 -11.159 -0.970 1.00 1.00 C ATOM 0 H MET A 14 -5.020 -15.182 -1.630 1.00 1.00 H new ATOM 0 HA MET A 14 -3.670 -15.667 0.804 1.00 1.00 H new ATOM 0 HB2 MET A 14 -4.650 -13.028 -0.361 1.00 1.00 H new ATOM 0 HB3 MET A 14 -3.357 -13.240 0.802 1.00 1.00 H new ATOM 0 HG2 MET A 14 -2.096 -14.619 -0.907 1.00 1.00 H new ATOM 0 HG3 MET A 14 -3.365 -14.291 -2.069 1.00 1.00 H new ATOM 0 HE1 MET A 14 -3.057 -10.135 -1.219 1.00 1.00 H new ATOM 0 HE2 MET A 14 -4.299 -11.393 -1.426 1.00 1.00 H new ATOM 0 HE3 MET A 14 -3.414 -11.261 0.112 1.00 1.00 H new ATOM 235 N ALA A 15 -6.747 -14.401 0.958 1.00 1.00 N ATOM 236 CA ALA A 15 -7.867 -14.140 1.846 1.00 1.00 C ATOM 237 C ALA A 15 -8.142 -15.383 2.693 1.00 1.00 C ATOM 238 O ALA A 15 -8.610 -15.230 3.831 1.00 1.00 O ATOM 239 CB ALA A 15 -9.132 -13.895 1.020 1.00 1.00 C ATOM 0 H ALA A 15 -6.952 -14.251 -0.030 1.00 1.00 H new ATOM 0 HA ALA A 15 -7.623 -13.277 2.465 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -9.971 -13.699 1.688 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -8.980 -13.035 0.368 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -9.348 -14.776 0.415 1.00 1.00 H new ATOM 245 N ILE A 16 -7.852 -16.571 2.132 1.00 1.00 N ATOM 246 CA ILE A 16 -8.066 -17.826 2.832 1.00 1.00 C ATOM 247 C ILE A 16 -6.908 -18.069 3.801 1.00 1.00 C ATOM 248 O ILE A 16 -7.169 -18.485 4.940 1.00 1.00 O ATOM 249 CB ILE A 16 -8.283 -18.965 1.834 1.00 1.00 C ATOM 250 CG1 ILE A 16 -9.401 -18.624 0.847 1.00 1.00 C ATOM 251 CG2 ILE A 16 -8.541 -20.288 2.559 1.00 1.00 C ATOM 252 CD1 ILE A 16 -10.665 -18.176 1.584 1.00 1.00 C ATOM 0 H ILE A 16 -7.468 -16.676 1.193 1.00 1.00 H new ATOM 0 HA ILE A 16 -8.976 -17.779 3.430 1.00 1.00 H new ATOM 0 HB ILE A 16 -7.369 -19.089 1.254 1.00 1.00 H new ATOM 0 HG12 ILE A 16 -9.068 -17.833 0.174 1.00 1.00 H new ATOM 0 HG13 ILE A 16 -9.625 -19.494 0.230 1.00 1.00 H new ATOM 0 HG21 ILE A 16 -8.692 -21.081 1.826 1.00 1.00 H new ATOM 0 HG22 ILE A 16 -7.684 -20.532 3.187 1.00 1.00 H new ATOM 0 HG23 ILE A 16 -9.431 -20.194 3.181 1.00 1.00 H new ATOM 0 HD11 ILE A 16 -11.444 -17.940 0.859 1.00 1.00 H new ATOM 0 HD12 ILE A 16 -11.009 -18.978 2.238 1.00 1.00 H new ATOM 0 HD13 ILE A 16 -10.444 -17.291 2.181 1.00 1.00 H new ATOM 264 N LEU A 17 -5.671 -17.810 3.339 1.00 1.00 N ATOM 265 CA LEU A 17 -4.487 -17.999 4.160 1.00 1.00 C ATOM 266 C LEU A 17 -4.641 -17.207 5.459 1.00 1.00 C ATOM 267 O LEU A 17 -4.297 -17.744 6.522 1.00 1.00 O ATOM 268 CB LEU A 17 -3.226 -17.646 3.369 1.00 1.00 C ATOM 269 CG LEU A 17 -2.520 -18.813 2.676 1.00 1.00 C ATOM 270 CD1 LEU A 17 -1.971 -19.808 3.701 1.00 1.00 C ATOM 271 CD2 LEU A 17 -3.444 -19.488 1.661 1.00 1.00 C ATOM 0 H LEU A 17 -5.478 -17.469 2.397 1.00 1.00 H new ATOM 0 HA LEU A 17 -4.378 -19.047 4.437 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -3.490 -16.907 2.613 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -2.518 -17.169 4.047 1.00 1.00 H new ATOM 0 HG LEU A 17 -1.668 -18.417 2.123 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -1.474 -20.628 3.182 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -1.256 -19.304 4.351 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -2.791 -20.202 4.301 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -2.918 -20.314 1.183 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -4.329 -19.868 2.171 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -3.745 -18.763 0.905 1.00 1.00 H new ATOM 283 N GLN A 18 -5.145 -15.965 5.352 1.00 1.00 N ATOM 284 CA GLN A 18 -5.340 -15.109 6.510 1.00 1.00 C ATOM 285 C GLN A 18 -6.118 -15.878 7.580 1.00 1.00 C ATOM 286 O GLN A 18 -6.008 -15.518 8.762 1.00 1.00 O ATOM 287 CB GLN A 18 -6.060 -13.812 6.135 1.00 1.00 C ATOM 288 CG GLN A 18 -7.562 -14.046 5.968 1.00 1.00 C ATOM 289 CD GLN A 18 -8.336 -13.531 7.183 1.00 1.00 C ATOM 290 OE1 GLN A 18 -7.833 -13.472 8.293 1.00 1.00 O ATOM 291 NE2 GLN A 18 -9.585 -13.161 6.912 1.00 1.00 N ATOM 0 H GLN A 18 -5.422 -15.541 4.467 1.00 1.00 H new ATOM 0 HA GLN A 18 -4.364 -14.827 6.906 1.00 1.00 H new ATOM 0 HB2 GLN A 18 -5.889 -13.061 6.906 1.00 1.00 H new ATOM 0 HB3 GLN A 18 -5.645 -13.417 5.208 1.00 1.00 H new ATOM 0 HG2 GLN A 18 -7.914 -13.542 5.068 1.00 1.00 H new ATOM 0 HG3 GLN A 18 -7.755 -15.110 5.834 1.00 1.00 H new ATOM 0 HE21 GLN A 18 -9.944 -13.236 5.960 1.00 1.00 H new ATOM 0 HE22 GLN A 18 -10.183 -12.802 7.656 1.00 1.00 H new ATOM 300 N SER A 19 -6.876 -16.904 7.154 1.00 1.00 N ATOM 301 CA SER A 19 -7.662 -17.713 8.070 1.00 1.00 C ATOM 302 C SER A 19 -7.098 -19.135 8.100 1.00 1.00 C ATOM 303 O SER A 19 -7.555 -19.967 7.302 1.00 1.00 O ATOM 304 CB SER A 19 -9.139 -17.735 7.671 1.00 1.00 C ATOM 305 OG SER A 19 -9.792 -16.506 7.975 1.00 1.00 O ATOM 0 H SER A 19 -6.953 -17.184 6.176 1.00 1.00 H new ATOM 0 HA SER A 19 -7.598 -17.271 9.065 1.00 1.00 H new ATOM 0 HB2 SER A 19 -9.223 -17.936 6.603 1.00 1.00 H new ATOM 0 HB3 SER A 19 -9.643 -18.551 8.189 1.00 1.00 H new ATOM 0 HG SER A 19 -10.512 -16.669 8.619 1.00 1.00 H new ATOM 311 N PRO A 20 -6.134 -19.382 9.004 1.00 1.00 N ATOM 312 CA PRO A 20 -5.495 -20.677 9.162 1.00 1.00 C ATOM 313 C PRO A 20 -6.422 -21.663 9.875 1.00 1.00 C ATOM 314 O PRO A 20 -5.998 -22.803 10.116 1.00 1.00 O ATOM 315 CB PRO A 20 -4.219 -20.395 9.938 1.00 1.00 C ATOM 316 CG PRO A 20 -4.418 -19.035 10.587 1.00 1.00 C ATOM 317 CD PRO A 20 -5.619 -18.376 9.928 1.00 1.00 C ATOM 0 HA PRO A 20 -5.268 -21.152 8.208 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -4.041 -21.164 10.690 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -3.353 -20.389 9.276 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -4.583 -19.144 11.659 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -3.528 -18.418 10.462 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -6.370 -18.095 10.666 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -5.332 -17.465 9.402 1.00 1.00 H new ATOM 325 N GLN A 21 -7.649 -21.213 10.193 1.00 1.00 N ATOM 326 CA GLN A 21 -8.624 -22.050 10.871 1.00 1.00 C ATOM 327 C GLN A 21 -9.758 -22.392 9.903 1.00 1.00 C ATOM 328 O GLN A 21 -9.745 -23.500 9.347 1.00 1.00 O ATOM 329 CB GLN A 21 -9.166 -21.372 12.132 1.00 1.00 C ATOM 330 CG GLN A 21 -10.237 -22.236 12.801 1.00 1.00 C ATOM 331 CD GLN A 21 -10.453 -21.812 14.255 1.00 1.00 C ATOM 332 OE1 GLN A 21 -9.997 -20.772 14.700 1.00 1.00 O ATOM 333 NE2 GLN A 21 -11.173 -22.674 14.968 1.00 1.00 N ATOM 0 H GLN A 21 -7.978 -20.270 9.986 1.00 1.00 H new ATOM 0 HA GLN A 21 -8.133 -22.970 11.190 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -8.350 -21.191 12.832 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -9.586 -20.400 11.875 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -11.174 -22.151 12.251 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -9.939 -23.284 12.764 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -11.525 -23.527 14.533 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -11.373 -22.482 15.950 1.00 1.00 H new ATOM 342 N LYS A 22 -10.701 -21.449 9.722 1.00 1.00 N ATOM 343 CA LYS A 22 -11.830 -21.650 8.830 1.00 1.00 C ATOM 344 C LYS A 22 -12.881 -20.570 9.093 1.00 1.00 C ATOM 345 O LYS A 22 -14.062 -20.920 9.237 1.00 1.00 O ATOM 346 CB LYS A 22 -12.368 -23.077 8.958 1.00 1.00 C ATOM 347 CG LYS A 22 -12.048 -23.898 7.708 1.00 1.00 C ATOM 348 CD LYS A 22 -13.182 -24.876 7.389 1.00 1.00 C ATOM 349 CE LYS A 22 -12.655 -26.308 7.279 1.00 1.00 C ATOM 350 NZ LYS A 22 -11.969 -26.507 5.992 1.00 1.00 N ATOM 0 H LYS A 22 -10.692 -20.542 10.189 1.00 1.00 H new ATOM 0 HA LYS A 22 -11.518 -21.545 7.791 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -11.931 -23.557 9.834 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -13.447 -23.050 9.113 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -11.889 -23.231 6.861 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -11.119 -24.449 7.858 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -13.943 -24.823 8.168 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -13.663 -24.589 6.454 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -11.968 -26.513 8.100 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -13.481 -27.014 7.371 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -11.378 -27.361 6.042 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -12.675 -26.618 5.236 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -11.369 -25.683 5.787 1.00 1.00 H new ATOM 364 N LYS A 23 -12.440 -19.301 9.150 1.00 1.00 N ATOM 365 CA LYS A 23 -13.337 -18.184 9.394 1.00 1.00 C ATOM 366 C LYS A 23 -13.019 -17.056 8.410 1.00 1.00 C ATOM 367 O LYS A 23 -12.131 -16.246 8.710 1.00 1.00 O ATOM 368 CB LYS A 23 -13.273 -17.757 10.861 1.00 1.00 C ATOM 369 CG LYS A 23 -14.535 -18.185 11.613 1.00 1.00 C ATOM 370 CD LYS A 23 -14.339 -18.068 13.126 1.00 1.00 C ATOM 371 CE LYS A 23 -15.504 -18.710 13.881 1.00 1.00 C ATOM 372 NZ LYS A 23 -15.831 -17.929 15.085 1.00 1.00 N ATOM 0 H LYS A 23 -11.463 -19.035 9.029 1.00 1.00 H new ATOM 0 HA LYS A 23 -14.371 -18.479 9.217 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -12.396 -18.199 11.334 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -13.158 -16.675 10.924 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -15.375 -17.564 11.303 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -14.786 -19.214 11.354 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -13.405 -18.550 13.414 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -14.255 -17.018 13.405 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -16.377 -18.770 13.231 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -15.245 -19.731 14.162 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -16.624 -18.379 15.586 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -15.002 -17.893 15.711 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -16.099 -16.963 14.810 1.00 1.00 H new ATOM 386 N LEU A 24 -13.739 -17.027 7.275 1.00 1.00 N ATOM 387 CA LEU A 24 -13.535 -16.008 6.260 1.00 1.00 C ATOM 388 C LEU A 24 -14.745 -15.072 6.232 1.00 1.00 C ATOM 389 O LEU A 24 -15.852 -15.548 5.939 1.00 1.00 O ATOM 390 CB LEU A 24 -13.226 -16.653 4.907 1.00 1.00 C ATOM 391 CG LEU A 24 -11.839 -17.283 4.766 1.00 1.00 C ATOM 392 CD1 LEU A 24 -10.739 -16.255 5.043 1.00 1.00 C ATOM 393 CD2 LEU A 24 -11.705 -18.520 5.656 1.00 1.00 C ATOM 0 H LEU A 24 -14.467 -17.705 7.048 1.00 1.00 H new ATOM 0 HA LEU A 24 -12.665 -15.398 6.503 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -13.974 -17.422 4.714 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -13.340 -15.896 4.131 1.00 1.00 H new ATOM 0 HG LEU A 24 -11.718 -17.614 3.735 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -9.763 -16.729 4.936 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -10.823 -15.432 4.333 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -10.847 -15.871 6.057 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -10.710 -18.948 5.536 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -11.855 -18.237 6.698 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -12.454 -19.258 5.369 1.00 1.00 H new ATOM 405 N THR A 25 -14.516 -13.781 6.532 1.00 1.00 N ATOM 406 CA THR A 25 -15.580 -12.792 6.542 1.00 1.00 C ATOM 407 C THR A 25 -15.472 -11.921 5.288 1.00 1.00 C ATOM 408 O THR A 25 -14.549 -11.096 5.221 1.00 1.00 O ATOM 409 CB THR A 25 -15.493 -11.994 7.844 1.00 1.00 C ATOM 410 OG1 THR A 25 -14.295 -11.235 7.708 1.00 1.00 O ATOM 411 CG2 THR A 25 -15.234 -12.885 9.061 1.00 1.00 C ATOM 0 H THR A 25 -13.597 -13.409 6.770 1.00 1.00 H new ATOM 0 HA THR A 25 -16.564 -13.261 6.513 1.00 1.00 H new ATOM 0 HB THR A 25 -16.419 -11.439 7.991 1.00 1.00 H new ATOM 0 HG1 THR A 25 -13.979 -11.286 6.782 1.00 1.00 H new ATOM 0 HG21 THR A 25 -15.181 -12.269 9.958 1.00 1.00 H new ATOM 0 HG22 THR A 25 -16.045 -13.606 9.163 1.00 1.00 H new ATOM 0 HG23 THR A 25 -14.291 -13.416 8.929 1.00 1.00 H new ATOM 419 N LEU A 26 -16.400 -12.120 4.335 1.00 1.00 N ATOM 420 CA LEU A 26 -16.409 -11.358 3.098 1.00 1.00 C ATOM 421 C LEU A 26 -16.191 -9.877 3.414 1.00 1.00 C ATOM 422 O LEU A 26 -15.514 -9.200 2.626 1.00 1.00 O ATOM 423 CB LEU A 26 -17.688 -11.637 2.306 1.00 1.00 C ATOM 424 CG LEU A 26 -17.774 -10.991 0.922 1.00 1.00 C ATOM 425 CD1 LEU A 26 -18.680 -11.803 -0.006 1.00 1.00 C ATOM 426 CD2 LEU A 26 -18.220 -9.531 1.024 1.00 1.00 C ATOM 0 H LEU A 26 -17.151 -12.807 4.409 1.00 1.00 H new ATOM 0 HA LEU A 26 -15.588 -11.670 2.453 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -17.791 -12.716 2.189 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -18.539 -11.298 2.897 1.00 1.00 H new ATOM 0 HG LEU A 26 -16.777 -10.993 0.482 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -18.724 -11.322 -0.983 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -18.280 -12.811 -0.115 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -19.683 -11.855 0.418 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -18.273 -9.096 0.026 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -19.203 -9.483 1.493 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -17.503 -8.973 1.626 1.00 1.00 H new ATOM 438 N SER A 27 -16.759 -9.412 4.541 1.00 1.00 N ATOM 439 CA SER A 27 -16.627 -8.025 4.953 1.00 1.00 C ATOM 440 C SER A 27 -15.152 -7.713 5.214 1.00 1.00 C ATOM 441 O SER A 27 -14.682 -6.660 4.759 1.00 1.00 O ATOM 442 CB SER A 27 -17.461 -7.731 6.202 1.00 1.00 C ATOM 443 OG SER A 27 -17.284 -8.723 7.208 1.00 1.00 O ATOM 0 H SER A 27 -17.313 -9.987 5.176 1.00 1.00 H new ATOM 0 HA SER A 27 -17.001 -7.388 4.151 1.00 1.00 H new ATOM 0 HB2 SER A 27 -17.183 -6.756 6.602 1.00 1.00 H new ATOM 0 HB3 SER A 27 -18.515 -7.675 5.929 1.00 1.00 H new ATOM 0 HG SER A 27 -17.242 -8.293 8.088 1.00 1.00 H new ATOM 449 N GLY A 28 -14.462 -8.619 5.931 1.00 1.00 N ATOM 450 CA GLY A 28 -13.056 -8.441 6.247 1.00 1.00 C ATOM 451 C GLY A 28 -12.219 -8.692 4.991 1.00 1.00 C ATOM 452 O GLY A 28 -11.197 -8.012 4.818 1.00 1.00 O ATOM 0 H GLY A 28 -14.868 -9.480 6.298 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -12.880 -7.432 6.619 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -12.760 -9.129 7.039 1.00 1.00 H new ATOM 456 N ILE A 29 -12.661 -9.647 4.154 1.00 1.00 N ATOM 457 CA ILE A 29 -11.958 -9.981 2.927 1.00 1.00 C ATOM 458 C ILE A 29 -11.818 -8.725 2.066 1.00 1.00 C ATOM 459 O ILE A 29 -10.706 -8.460 1.585 1.00 1.00 O ATOM 460 CB ILE A 29 -12.650 -11.143 2.212 1.00 1.00 C ATOM 461 CG1 ILE A 29 -12.128 -12.489 2.719 1.00 1.00 C ATOM 462 CG2 ILE A 29 -12.516 -11.011 0.693 1.00 1.00 C ATOM 463 CD1 ILE A 29 -12.859 -12.916 3.994 1.00 1.00 C ATOM 0 H ILE A 29 -13.505 -10.196 4.316 1.00 1.00 H new ATOM 0 HA ILE A 29 -10.949 -10.329 3.149 1.00 1.00 H new ATOM 0 HB ILE A 29 -13.714 -11.102 2.446 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -12.260 -13.248 1.948 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -11.058 -12.418 2.916 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -13.017 -11.850 0.209 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -12.975 -10.078 0.367 1.00 1.00 H new ATOM 0 HG23 ILE A 29 -11.461 -11.012 0.419 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -12.469 -13.876 4.333 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -12.704 -12.167 4.770 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -13.925 -13.010 3.788 1.00 1.00 H new ATOM 475 N CYS A 30 -12.929 -7.988 1.891 1.00 1.00 N ATOM 476 CA CYS A 30 -12.929 -6.772 1.095 1.00 1.00 C ATOM 477 C CYS A 30 -11.872 -5.810 1.641 1.00 1.00 C ATOM 478 O CYS A 30 -11.029 -5.353 0.856 1.00 1.00 O ATOM 479 CB CYS A 30 -14.319 -6.133 1.064 1.00 1.00 C ATOM 480 SG CYS A 30 -14.376 -4.467 0.340 1.00 1.00 S ATOM 0 H CYS A 30 -13.835 -8.223 2.296 1.00 1.00 H new ATOM 0 HA CYS A 30 -12.675 -7.017 0.064 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -14.989 -6.782 0.500 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -14.704 -6.085 2.083 1.00 1.00 H new ATOM 0 HG CYS A 30 -15.598 -4.025 0.363 1.00 1.00 H new ATOM 486 N GLU A 31 -11.936 -5.527 2.955 1.00 1.00 N ATOM 487 CA GLU A 31 -10.991 -4.629 3.596 1.00 1.00 C ATOM 488 C GLU A 31 -9.594 -5.251 3.555 1.00 1.00 C ATOM 489 O GLU A 31 -8.615 -4.497 3.451 1.00 1.00 O ATOM 490 CB GLU A 31 -11.406 -4.308 5.033 1.00 1.00 C ATOM 491 CG GLU A 31 -10.453 -3.293 5.666 1.00 1.00 C ATOM 492 CD GLU A 31 -10.903 -2.926 7.082 1.00 1.00 C ATOM 493 OE1 GLU A 31 -11.434 -3.891 7.752 1.00 1.00 O ATOM 494 OE2 GLU A 31 -10.747 -1.770 7.502 1.00 1.00 O ATOM 0 H GLU A 31 -12.639 -5.914 3.585 1.00 1.00 H new ATOM 0 HA GLU A 31 -10.981 -3.685 3.050 1.00 1.00 H new ATOM 0 HB2 GLU A 31 -12.422 -3.913 5.042 1.00 1.00 H new ATOM 0 HB3 GLU A 31 -11.414 -5.223 5.626 1.00 1.00 H new ATOM 0 HG2 GLU A 31 -9.445 -3.706 5.697 1.00 1.00 H new ATOM 0 HG3 GLU A 31 -10.411 -2.395 5.050 1.00 1.00 H new ATOM 501 N PHE A 32 -9.529 -6.592 3.636 1.00 1.00 N ATOM 502 CA PHE A 32 -8.264 -7.306 3.609 1.00 1.00 C ATOM 503 C PHE A 32 -7.555 -7.026 2.282 1.00 1.00 C ATOM 504 O PHE A 32 -6.332 -6.819 2.299 1.00 1.00 O ATOM 505 CB PHE A 32 -8.527 -8.814 3.781 1.00 1.00 C ATOM 506 CG PHE A 32 -7.519 -9.719 3.085 1.00 1.00 C ATOM 507 CD1 PHE A 32 -6.169 -9.740 3.505 1.00 1.00 C ATOM 508 CD2 PHE A 32 -7.928 -10.538 2.007 1.00 1.00 C ATOM 509 CE1 PHE A 32 -5.236 -10.576 2.854 1.00 1.00 C ATOM 510 CE2 PHE A 32 -6.995 -11.374 1.357 1.00 1.00 C ATOM 511 CZ PHE A 32 -5.649 -11.393 1.781 1.00 1.00 C ATOM 0 H PHE A 32 -10.348 -7.195 3.721 1.00 1.00 H new ATOM 0 HA PHE A 32 -7.624 -6.969 4.425 1.00 1.00 H new ATOM 0 HB2 PHE A 32 -8.532 -9.049 4.845 1.00 1.00 H new ATOM 0 HB3 PHE A 32 -9.523 -9.041 3.400 1.00 1.00 H new ATOM 0 HD1 PHE A 32 -5.851 -9.115 4.326 1.00 1.00 H new ATOM 0 HD2 PHE A 32 -8.957 -10.524 1.680 1.00 1.00 H new ATOM 0 HE1 PHE A 32 -4.206 -10.590 3.178 1.00 1.00 H new ATOM 0 HE2 PHE A 32 -7.311 -11.999 0.535 1.00 1.00 H new ATOM 0 HZ PHE A 32 -4.935 -12.033 1.284 1.00 1.00 H new ATOM 521 N ILE A 33 -8.322 -7.026 1.177 1.00 1.00 N ATOM 522 CA ILE A 33 -7.771 -6.774 -0.143 1.00 1.00 C ATOM 523 C ILE A 33 -7.335 -5.311 -0.239 1.00 1.00 C ATOM 524 O ILE A 33 -6.286 -5.046 -0.844 1.00 1.00 O ATOM 525 CB ILE A 33 -8.766 -7.191 -1.228 1.00 1.00 C ATOM 526 CG1 ILE A 33 -9.089 -8.684 -1.131 1.00 1.00 C ATOM 527 CG2 ILE A 33 -8.257 -6.804 -2.618 1.00 1.00 C ATOM 528 CD1 ILE A 33 -7.852 -9.487 -0.723 1.00 1.00 C ATOM 0 H ILE A 33 -9.327 -7.200 1.185 1.00 1.00 H new ATOM 0 HA ILE A 33 -6.882 -7.383 -0.306 1.00 1.00 H new ATOM 0 HB ILE A 33 -9.697 -6.648 -1.064 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -9.885 -8.841 -0.403 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -9.459 -9.043 -2.091 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -8.983 -7.112 -3.370 1.00 1.00 H new ATOM 0 HG22 ILE A 33 -8.119 -5.724 -2.667 1.00 1.00 H new ATOM 0 HG23 ILE A 33 -7.305 -7.300 -2.808 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -8.109 -10.545 -0.661 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -7.066 -9.347 -1.465 1.00 1.00 H new ATOM 0 HD13 ILE A 33 -7.499 -9.142 0.249 1.00 1.00 H new ATOM 540 N SER A 34 -8.135 -4.404 0.351 1.00 1.00 N ATOM 541 CA SER A 34 -7.834 -2.983 0.332 1.00 1.00 C ATOM 542 C SER A 34 -6.697 -2.694 1.315 1.00 1.00 C ATOM 543 O SER A 34 -6.036 -1.657 1.163 1.00 1.00 O ATOM 544 CB SER A 34 -9.064 -2.145 0.682 1.00 1.00 C ATOM 545 OG SER A 34 -8.726 -0.788 0.957 1.00 1.00 O ATOM 0 H SER A 34 -8.995 -4.643 0.845 1.00 1.00 H new ATOM 0 HA SER A 34 -7.527 -2.708 -0.677 1.00 1.00 H new ATOM 0 HB2 SER A 34 -9.774 -2.181 -0.144 1.00 1.00 H new ATOM 0 HB3 SER A 34 -9.562 -2.577 1.550 1.00 1.00 H new ATOM 0 HG SER A 34 -9.539 -0.286 1.175 1.00 1.00 H new ATOM 551 N ASN A 35 -6.497 -3.602 2.287 1.00 1.00 N ATOM 552 CA ASN A 35 -5.451 -3.445 3.283 1.00 1.00 C ATOM 553 C ASN A 35 -4.084 -3.530 2.599 1.00 1.00 C ATOM 554 O ASN A 35 -3.234 -2.671 2.872 1.00 1.00 O ATOM 555 CB ASN A 35 -5.522 -4.552 4.337 1.00 1.00 C ATOM 556 CG ASN A 35 -5.288 -3.989 5.740 1.00 1.00 C ATOM 557 OD1 ASN A 35 -4.185 -3.631 6.117 1.00 1.00 O ATOM 558 ND2 ASN A 35 -6.385 -3.933 6.490 1.00 1.00 N ATOM 0 H ASN A 35 -7.054 -4.450 2.394 1.00 1.00 H new ATOM 0 HA ASN A 35 -5.589 -2.478 3.767 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -6.497 -5.038 4.294 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -4.775 -5.316 4.118 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -6.333 -3.574 7.443 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -7.278 -4.249 6.112 1.00 1.00 H new ATOM 565 N ARG A 36 -3.905 -4.548 1.739 1.00 1.00 N ATOM 566 CA ARG A 36 -2.654 -4.741 1.025 1.00 1.00 C ATOM 567 C ARG A 36 -2.614 -3.808 -0.186 1.00 1.00 C ATOM 568 O ARG A 36 -1.534 -3.278 -0.487 1.00 1.00 O ATOM 569 CB ARG A 36 -2.493 -6.187 0.551 1.00 1.00 C ATOM 570 CG ARG A 36 -2.448 -7.152 1.738 1.00 1.00 C ATOM 571 CD ARG A 36 -1.125 -7.028 2.496 1.00 1.00 C ATOM 572 NE ARG A 36 -0.011 -7.512 1.651 1.00 1.00 N ATOM 573 CZ ARG A 36 1.291 -7.236 1.883 1.00 1.00 C ATOM 574 NH1 ARG A 36 1.616 -6.478 2.939 1.00 1.00 N ATOM 575 NH2 ARG A 36 2.242 -7.713 1.069 1.00 1.00 N ATOM 0 H ARG A 36 -4.619 -5.245 1.529 1.00 1.00 H new ATOM 0 HA ARG A 36 -1.836 -4.514 1.709 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -3.321 -6.452 -0.106 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -1.578 -6.282 -0.034 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -3.278 -6.943 2.412 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -2.574 -8.175 1.384 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -0.954 -5.989 2.778 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -1.170 -7.606 3.419 1.00 1.00 H new ATOM 0 HE ARG A 36 -0.240 -8.090 0.843 1.00 1.00 H new ATOM 0 HH11 ARG A 36 0.885 -6.119 3.553 1.00 1.00 H new ATOM 0 HH12 ARG A 36 2.594 -6.260 3.129 1.00 1.00 H new ATOM 0 HH21 ARG A 36 1.985 -8.289 0.267 1.00 1.00 H new ATOM 0 HH22 ARG A 36 3.223 -7.500 1.251 1.00 1.00 H new ATOM 589 N PHE A 37 -3.771 -3.627 -0.846 1.00 1.00 N ATOM 590 CA PHE A 37 -3.867 -2.765 -2.012 1.00 1.00 C ATOM 591 C PHE A 37 -4.852 -1.631 -1.724 1.00 1.00 C ATOM 592 O PHE A 37 -6.036 -1.778 -2.062 1.00 1.00 O ATOM 593 CB PHE A 37 -4.331 -3.599 -3.223 1.00 1.00 C ATOM 594 CG PHE A 37 -3.993 -5.081 -3.140 1.00 1.00 C ATOM 595 CD1 PHE A 37 -2.667 -5.491 -2.870 1.00 1.00 C ATOM 596 CD2 PHE A 37 -5.001 -6.056 -3.326 1.00 1.00 C ATOM 597 CE1 PHE A 37 -2.351 -6.864 -2.789 1.00 1.00 C ATOM 598 CE2 PHE A 37 -4.684 -7.429 -3.245 1.00 1.00 C ATOM 599 CZ PHE A 37 -3.359 -7.833 -2.977 1.00 1.00 C ATOM 0 H PHE A 37 -4.650 -4.073 -0.582 1.00 1.00 H new ATOM 0 HA PHE A 37 -2.894 -2.330 -2.239 1.00 1.00 H new ATOM 0 HB2 PHE A 37 -5.410 -3.492 -3.329 1.00 1.00 H new ATOM 0 HB3 PHE A 37 -3.879 -3.187 -4.125 1.00 1.00 H new ATOM 0 HD1 PHE A 37 -1.894 -4.751 -2.725 1.00 1.00 H new ATOM 0 HD2 PHE A 37 -6.016 -5.749 -3.531 1.00 1.00 H new ATOM 0 HE1 PHE A 37 -1.337 -7.173 -2.583 1.00 1.00 H new ATOM 0 HE2 PHE A 37 -5.456 -8.171 -3.388 1.00 1.00 H new ATOM 0 HZ PHE A 37 -3.116 -8.884 -2.916 1.00 1.00 H new ATOM 609 N PRO A 38 -4.353 -0.541 -1.114 1.00 1.00 N ATOM 610 CA PRO A 38 -5.153 0.622 -0.770 1.00 1.00 C ATOM 611 C PRO A 38 -5.472 1.456 -2.013 1.00 1.00 C ATOM 612 O PRO A 38 -6.602 1.956 -2.114 1.00 1.00 O ATOM 613 CB PRO A 38 -4.327 1.378 0.257 1.00 1.00 C ATOM 614 CG PRO A 38 -2.904 0.866 0.106 1.00 1.00 C ATOM 615 CD PRO A 38 -2.952 -0.403 -0.729 1.00 1.00 C ATOM 0 HA PRO A 38 -6.127 0.356 -0.360 1.00 1.00 H new ATOM 0 HB2 PRO A 38 -4.376 2.453 0.083 1.00 1.00 H new ATOM 0 HB3 PRO A 38 -4.701 1.201 1.266 1.00 1.00 H new ATOM 0 HG2 PRO A 38 -2.277 1.617 -0.376 1.00 1.00 H new ATOM 0 HG3 PRO A 38 -2.465 0.664 1.083 1.00 1.00 H new ATOM 0 HD2 PRO A 38 -2.307 -0.326 -1.604 1.00 1.00 H new ATOM 0 HD3 PRO A 38 -2.612 -1.266 -0.157 1.00 1.00 H new ATOM 623 N TYR A 39 -4.486 1.587 -2.919 1.00 1.00 N ATOM 624 CA TYR A 39 -4.724 2.370 -4.119 1.00 1.00 C ATOM 625 C TYR A 39 -5.703 1.622 -5.026 1.00 1.00 C ATOM 626 O TYR A 39 -6.412 2.289 -5.793 1.00 1.00 O ATOM 627 CB TYR A 39 -3.391 2.662 -4.833 1.00 1.00 C ATOM 628 CG TYR A 39 -2.256 3.076 -3.907 1.00 1.00 C ATOM 629 CD1 TYR A 39 -1.439 2.091 -3.305 1.00 1.00 C ATOM 630 CD2 TYR A 39 -2.007 4.444 -3.647 1.00 1.00 C ATOM 631 CE1 TYR A 39 -0.384 2.470 -2.448 1.00 1.00 C ATOM 632 CE2 TYR A 39 -0.952 4.823 -2.790 1.00 1.00 C ATOM 633 CZ TYR A 39 -0.140 3.836 -2.189 1.00 1.00 C ATOM 634 OH TYR A 39 0.882 4.199 -1.358 1.00 1.00 O ATOM 0 H TYR A 39 -3.556 1.175 -2.840 1.00 1.00 H new ATOM 0 HA TYR A 39 -5.170 3.329 -3.856 1.00 1.00 H new ATOM 0 HB2 TYR A 39 -3.087 1.773 -5.385 1.00 1.00 H new ATOM 0 HB3 TYR A 39 -3.552 3.453 -5.566 1.00 1.00 H new ATOM 0 HD1 TYR A 39 -1.623 1.045 -3.502 1.00 1.00 H new ATOM 0 HD2 TYR A 39 -2.626 5.201 -4.106 1.00 1.00 H new ATOM 0 HE1 TYR A 39 0.237 1.715 -1.990 1.00 1.00 H new ATOM 0 HE2 TYR A 39 -0.765 5.868 -2.594 1.00 1.00 H new ATOM 0 HH TYR A 39 0.915 5.176 -1.287 1.00 1.00 H new ATOM 644 N TYR A 40 -5.720 0.280 -4.931 1.00 1.00 N ATOM 645 CA TYR A 40 -6.621 -0.481 -5.779 1.00 1.00 C ATOM 646 C TYR A 40 -8.067 -0.146 -5.410 1.00 1.00 C ATOM 647 O TYR A 40 -8.853 0.132 -6.328 1.00 1.00 O ATOM 648 CB TYR A 40 -6.329 -1.987 -5.643 1.00 1.00 C ATOM 649 CG TYR A 40 -5.838 -2.653 -6.921 1.00 1.00 C ATOM 650 CD1 TYR A 40 -6.668 -2.709 -8.064 1.00 1.00 C ATOM 651 CD2 TYR A 40 -4.545 -3.225 -6.969 1.00 1.00 C ATOM 652 CE1 TYR A 40 -6.209 -3.330 -9.245 1.00 1.00 C ATOM 653 CE2 TYR A 40 -4.086 -3.846 -8.150 1.00 1.00 C ATOM 654 CZ TYR A 40 -4.917 -3.898 -9.290 1.00 1.00 C ATOM 655 OH TYR A 40 -4.469 -4.499 -10.431 1.00 1.00 O ATOM 0 H TYR A 40 -5.140 -0.272 -4.298 1.00 1.00 H new ATOM 0 HA TYR A 40 -6.466 -0.212 -6.824 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -5.581 -2.130 -4.863 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -7.236 -2.492 -5.311 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -7.657 -2.275 -8.033 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -3.907 -3.186 -6.099 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -6.847 -3.371 -10.116 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -3.098 -4.282 -8.182 1.00 1.00 H new ATOM 0 HH TYR A 40 -3.560 -4.835 -10.288 1.00 1.00 H new ATOM 665 N ARG A 41 -8.389 -0.184 -4.105 1.00 1.00 N ATOM 666 CA ARG A 41 -9.732 0.106 -3.634 1.00 1.00 C ATOM 667 C ARG A 41 -10.068 1.568 -3.932 1.00 1.00 C ATOM 668 O ARG A 41 -11.171 1.829 -4.435 1.00 1.00 O ATOM 669 CB ARG A 41 -9.869 -0.145 -2.131 1.00 1.00 C ATOM 670 CG ARG A 41 -11.273 0.215 -1.640 1.00 1.00 C ATOM 671 CD ARG A 41 -12.037 -1.035 -1.200 1.00 1.00 C ATOM 672 NE ARG A 41 -13.448 -0.691 -0.912 1.00 1.00 N ATOM 673 CZ ARG A 41 -13.852 -0.004 0.178 1.00 1.00 C ATOM 674 NH1 ARG A 41 -12.935 0.401 1.068 1.00 1.00 N ATOM 675 NH2 ARG A 41 -15.150 0.269 0.368 1.00 1.00 N ATOM 0 H ARG A 41 -7.727 -0.415 -3.364 1.00 1.00 H new ATOM 0 HA ARG A 41 -10.422 -0.558 -4.154 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -9.661 -1.193 -1.913 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -9.129 0.445 -1.591 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -11.203 0.915 -0.807 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -11.822 0.720 -2.435 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -11.991 -1.793 -1.982 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -11.570 -1.463 -0.313 1.00 1.00 H new ATOM 0 HE ARG A 41 -14.159 -0.992 -1.578 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -11.949 0.189 0.916 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -13.223 0.921 1.897 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -15.842 -0.043 -0.314 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -15.446 0.789 1.194 1.00 1.00 H new ATOM 689 N GLU A 42 -9.127 2.478 -3.623 1.00 1.00 N ATOM 690 CA GLU A 42 -9.322 3.898 -3.857 1.00 1.00 C ATOM 691 C GLU A 42 -9.601 4.133 -5.343 1.00 1.00 C ATOM 692 O GLU A 42 -10.223 5.153 -5.672 1.00 1.00 O ATOM 693 CB GLU A 42 -8.116 4.716 -3.390 1.00 1.00 C ATOM 694 CG GLU A 42 -8.447 6.209 -3.353 1.00 1.00 C ATOM 695 CD GLU A 42 -8.343 6.829 -4.748 1.00 1.00 C ATOM 696 OE1 GLU A 42 -7.557 6.352 -5.581 1.00 1.00 O ATOM 697 OE2 GLU A 42 -9.115 7.841 -4.954 1.00 1.00 O ATOM 0 H GLU A 42 -8.225 2.242 -3.210 1.00 1.00 H new ATOM 0 HA GLU A 42 -10.179 4.233 -3.273 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -7.808 4.383 -2.399 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -7.274 4.543 -4.060 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -9.454 6.352 -2.962 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -7.765 6.719 -2.673 1.00 1.00 H new ATOM 704 N LYS A 43 -9.143 3.199 -6.196 1.00 1.00 N ATOM 705 CA LYS A 43 -9.342 3.304 -7.631 1.00 1.00 C ATOM 706 C LYS A 43 -10.566 2.479 -8.034 1.00 1.00 C ATOM 707 O LYS A 43 -11.255 2.873 -8.987 1.00 1.00 O ATOM 708 CB LYS A 43 -8.066 2.915 -8.379 1.00 1.00 C ATOM 709 CG LYS A 43 -7.654 4.008 -9.367 1.00 1.00 C ATOM 710 CD LYS A 43 -8.597 4.043 -10.571 1.00 1.00 C ATOM 711 CE LYS A 43 -8.113 5.048 -11.618 1.00 1.00 C ATOM 712 NZ LYS A 43 -7.146 4.415 -12.531 1.00 1.00 N ATOM 0 H LYS A 43 -8.633 2.366 -5.904 1.00 1.00 H new ATOM 0 HA LYS A 43 -9.546 4.337 -7.912 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -7.260 2.743 -7.665 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -8.225 1.978 -8.913 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -7.661 4.977 -8.867 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -6.633 3.831 -9.705 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -8.660 3.050 -11.017 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -9.602 4.310 -10.243 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -8.962 5.429 -12.185 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -7.650 5.903 -11.124 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -6.827 5.110 -13.236 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -6.328 4.073 -11.987 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -7.599 3.614 -13.016 1.00 1.00 H new ATOM 726 N PHE A 44 -10.809 1.370 -7.313 1.00 1.00 N ATOM 727 CA PHE A 44 -11.939 0.501 -7.594 1.00 1.00 C ATOM 728 C PHE A 44 -12.367 -0.204 -6.305 1.00 1.00 C ATOM 729 O PHE A 44 -11.910 -1.332 -6.071 1.00 1.00 O ATOM 730 CB PHE A 44 -11.535 -0.525 -8.671 1.00 1.00 C ATOM 731 CG PHE A 44 -12.702 -1.269 -9.308 1.00 1.00 C ATOM 732 CD1 PHE A 44 -13.934 -0.611 -9.528 1.00 1.00 C ATOM 733 CD2 PHE A 44 -12.559 -2.626 -9.677 1.00 1.00 C ATOM 734 CE1 PHE A 44 -15.014 -1.306 -10.114 1.00 1.00 C ATOM 735 CE2 PHE A 44 -13.639 -3.320 -10.264 1.00 1.00 C ATOM 736 CZ PHE A 44 -14.866 -2.659 -10.482 1.00 1.00 C ATOM 0 H PHE A 44 -10.229 1.064 -6.532 1.00 1.00 H new ATOM 0 HA PHE A 44 -12.780 1.085 -7.967 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -10.979 -0.010 -9.454 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -10.857 -1.253 -8.225 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -14.049 0.425 -9.247 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -11.620 -3.133 -9.509 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -15.954 -0.801 -10.281 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -13.526 -4.356 -10.546 1.00 1.00 H new ATOM 0 HZ PHE A 44 -15.693 -3.190 -10.931 1.00 1.00 H new ATOM 746 N PRO A 45 -13.221 0.463 -5.509 1.00 1.00 N ATOM 747 CA PRO A 45 -13.724 -0.064 -4.252 1.00 1.00 C ATOM 748 C PRO A 45 -14.783 -1.142 -4.494 1.00 1.00 C ATOM 749 O PRO A 45 -15.458 -1.533 -3.531 1.00 1.00 O ATOM 750 CB PRO A 45 -14.266 1.144 -3.507 1.00 1.00 C ATOM 751 CG PRO A 45 -14.470 2.224 -4.557 1.00 1.00 C ATOM 752 CD PRO A 45 -13.738 1.793 -5.817 1.00 1.00 C ATOM 0 HA PRO A 45 -12.952 -0.563 -3.666 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -15.204 0.905 -3.005 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -13.568 1.474 -2.738 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -15.532 2.363 -4.761 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -14.086 3.180 -4.201 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -14.409 1.768 -6.676 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -12.932 2.484 -6.063 1.00 1.00 H new ATOM 760 N ALA A 46 -14.906 -1.593 -5.755 1.00 1.00 N ATOM 761 CA ALA A 46 -15.873 -2.614 -6.117 1.00 1.00 C ATOM 762 C ALA A 46 -15.272 -3.996 -5.853 1.00 1.00 C ATOM 763 O ALA A 46 -15.674 -4.953 -6.531 1.00 1.00 O ATOM 764 CB ALA A 46 -16.154 -2.549 -7.620 1.00 1.00 C ATOM 0 H ALA A 46 -14.340 -1.257 -6.534 1.00 1.00 H new ATOM 0 HA ALA A 46 -16.781 -2.450 -5.536 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -16.880 -3.317 -7.888 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -16.554 -1.567 -7.873 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -15.229 -2.717 -8.171 1.00 1.00 H new ATOM 770 N TRP A 47 -14.337 -4.072 -4.890 1.00 1.00 N ATOM 771 CA TRP A 47 -13.690 -5.326 -4.542 1.00 1.00 C ATOM 772 C TRP A 47 -14.598 -6.120 -3.601 1.00 1.00 C ATOM 773 O TRP A 47 -14.078 -6.951 -2.842 1.00 1.00 O ATOM 774 CB TRP A 47 -12.303 -5.060 -3.953 1.00 1.00 C ATOM 775 CG TRP A 47 -11.278 -4.564 -4.973 1.00 1.00 C ATOM 776 CD1 TRP A 47 -10.778 -3.328 -5.107 1.00 1.00 C ATOM 777 CD2 TRP A 47 -10.642 -5.348 -6.005 1.00 1.00 C ATOM 778 NE1 TRP A 47 -9.871 -3.258 -6.144 1.00 1.00 N ATOM 779 CE2 TRP A 47 -9.786 -4.525 -6.708 1.00 1.00 C ATOM 780 CE3 TRP A 47 -10.787 -6.708 -6.333 1.00 1.00 C ATOM 781 CZ2 TRP A 47 -9.007 -4.970 -7.783 1.00 1.00 C ATOM 782 CZ3 TRP A 47 -10.001 -7.136 -7.410 1.00 1.00 C ATOM 783 CH2 TRP A 47 -9.134 -6.320 -8.128 1.00 1.00 C ATOM 0 H TRP A 47 -14.019 -3.271 -4.344 1.00 1.00 H new ATOM 0 HA TRP A 47 -13.535 -5.933 -5.434 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -12.394 -4.322 -3.156 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -11.931 -5.978 -3.497 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -11.051 -2.491 -4.481 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -9.357 -2.429 -6.442 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -11.452 -7.369 -5.797 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -8.343 -4.306 -8.317 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -10.073 -8.173 -7.704 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -8.561 -6.726 -8.948 1.00 1.00 H new ATOM 794 N GLN A 48 -15.914 -5.853 -3.667 1.00 1.00 N ATOM 795 CA GLN A 48 -16.882 -6.538 -2.826 1.00 1.00 C ATOM 796 C GLN A 48 -17.215 -7.898 -3.444 1.00 1.00 C ATOM 797 O GLN A 48 -16.680 -8.909 -2.968 1.00 1.00 O ATOM 798 CB GLN A 48 -18.147 -5.701 -2.628 1.00 1.00 C ATOM 799 CG GLN A 48 -18.451 -4.864 -3.872 1.00 1.00 C ATOM 800 CD GLN A 48 -19.953 -4.838 -4.161 1.00 1.00 C ATOM 801 OE1 GLN A 48 -20.577 -5.850 -4.434 1.00 1.00 O ATOM 802 NE2 GLN A 48 -20.497 -3.627 -4.087 1.00 1.00 N ATOM 0 H GLN A 48 -16.322 -5.164 -4.299 1.00 1.00 H new ATOM 0 HA GLN A 48 -16.444 -6.688 -1.839 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -18.991 -6.356 -2.411 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -18.023 -5.046 -1.766 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -18.087 -3.847 -3.728 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -17.919 -5.275 -4.730 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -19.917 -2.821 -3.853 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -21.494 -3.504 -4.264 1.00 1.00 H new ATOM 811 N ASN A 49 -18.079 -7.895 -4.475 1.00 1.00 N ATOM 812 CA ASN A 49 -18.478 -9.119 -5.149 1.00 1.00 C ATOM 813 C ASN A 49 -17.420 -9.491 -6.190 1.00 1.00 C ATOM 814 O ASN A 49 -17.216 -10.692 -6.421 1.00 1.00 O ATOM 815 CB ASN A 49 -19.812 -8.938 -5.876 1.00 1.00 C ATOM 816 CG ASN A 49 -20.268 -10.249 -6.520 1.00 1.00 C ATOM 817 OD1 ASN A 49 -19.586 -10.837 -7.343 1.00 1.00 O ATOM 818 ND2 ASN A 49 -21.457 -10.673 -6.101 1.00 1.00 N ATOM 0 H ASN A 49 -18.509 -7.050 -4.852 1.00 1.00 H new ATOM 0 HA ASN A 49 -18.580 -9.900 -4.396 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -20.569 -8.591 -5.173 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -19.712 -8.168 -6.641 1.00 1.00 H new ATOM 0 HD21 ASN A 49 -21.849 -11.539 -6.471 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -21.976 -10.133 -5.409 1.00 1.00 H new ATOM 825 N SER A 50 -16.778 -8.471 -6.787 1.00 1.00 N ATOM 826 CA SER A 50 -15.751 -8.691 -7.792 1.00 1.00 C ATOM 827 C SER A 50 -14.852 -9.848 -7.353 1.00 1.00 C ATOM 828 O SER A 50 -14.271 -10.507 -8.227 1.00 1.00 O ATOM 829 CB SER A 50 -14.917 -7.429 -8.024 1.00 1.00 C ATOM 830 OG SER A 50 -13.826 -7.335 -7.112 1.00 1.00 O ATOM 0 H SER A 50 -16.961 -7.489 -6.583 1.00 1.00 H new ATOM 0 HA SER A 50 -16.237 -8.941 -8.735 1.00 1.00 H new ATOM 0 HB2 SER A 50 -14.537 -7.428 -9.045 1.00 1.00 H new ATOM 0 HB3 SER A 50 -15.553 -6.550 -7.920 1.00 1.00 H new ATOM 0 HG SER A 50 -13.056 -7.822 -7.472 1.00 1.00 H new ATOM 836 N ILE A 51 -14.758 -10.069 -6.029 1.00 1.00 N ATOM 837 CA ILE A 51 -13.938 -11.137 -5.483 1.00 1.00 C ATOM 838 C ILE A 51 -14.844 -12.257 -4.968 1.00 1.00 C ATOM 839 O ILE A 51 -14.397 -13.413 -4.945 1.00 1.00 O ATOM 840 CB ILE A 51 -12.977 -10.588 -4.427 1.00 1.00 C ATOM 841 CG1 ILE A 51 -13.217 -11.251 -3.069 1.00 1.00 C ATOM 842 CG2 ILE A 51 -13.067 -9.063 -4.343 1.00 1.00 C ATOM 843 CD1 ILE A 51 -14.357 -10.562 -2.316 1.00 1.00 C ATOM 0 H ILE A 51 -15.246 -9.514 -5.326 1.00 1.00 H new ATOM 0 HA ILE A 51 -13.307 -11.569 -6.260 1.00 1.00 H new ATOM 0 HB ILE A 51 -11.960 -10.835 -4.731 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -13.456 -12.305 -3.212 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -12.305 -11.209 -2.473 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -12.374 -8.699 -3.585 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -12.809 -8.630 -5.309 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -14.083 -8.773 -4.075 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -14.507 -11.053 -1.354 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -14.105 -9.514 -2.153 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -15.273 -10.628 -2.903 1.00 1.00 H new ATOM 855 N ARG A 52 -16.078 -11.899 -4.570 1.00 1.00 N ATOM 856 CA ARG A 52 -17.034 -12.867 -4.061 1.00 1.00 C ATOM 857 C ARG A 52 -17.307 -13.922 -5.135 1.00 1.00 C ATOM 858 O ARG A 52 -17.711 -15.038 -4.777 1.00 1.00 O ATOM 859 CB ARG A 52 -18.353 -12.201 -3.663 1.00 1.00 C ATOM 860 CG ARG A 52 -19.300 -13.209 -3.009 1.00 1.00 C ATOM 861 CD ARG A 52 -20.600 -13.337 -3.806 1.00 1.00 C ATOM 862 NE ARG A 52 -21.755 -12.983 -2.952 1.00 1.00 N ATOM 863 CZ ARG A 52 -22.069 -11.721 -2.588 1.00 1.00 C ATOM 864 NH1 ARG A 52 -21.300 -10.711 -3.016 1.00 1.00 N ATOM 865 NH2 ARG A 52 -23.133 -11.482 -1.810 1.00 1.00 N ATOM 0 H ARG A 52 -16.426 -10.941 -4.596 1.00 1.00 H new ATOM 0 HA ARG A 52 -16.605 -13.329 -3.172 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -18.157 -11.380 -2.973 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -18.827 -11.770 -4.544 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -18.812 -14.182 -2.943 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -19.524 -12.895 -1.990 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -20.568 -12.683 -4.677 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -20.710 -14.356 -4.176 1.00 1.00 H new ATOM 0 HE ARG A 52 -22.352 -13.740 -2.617 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -20.491 -10.901 -3.608 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -21.523 -9.752 -2.750 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -23.713 -12.256 -1.488 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -23.363 -10.526 -1.540 1.00 1.00 H new ATOM 879 N HIS A 53 -17.084 -13.555 -6.410 1.00 1.00 N ATOM 880 CA HIS A 53 -17.305 -14.463 -7.522 1.00 1.00 C ATOM 881 C HIS A 53 -16.199 -15.520 -7.539 1.00 1.00 C ATOM 882 O HIS A 53 -16.525 -16.715 -7.489 1.00 1.00 O ATOM 883 CB HIS A 53 -17.413 -13.696 -8.842 1.00 1.00 C ATOM 884 CG HIS A 53 -18.791 -13.726 -9.458 1.00 1.00 C ATOM 885 ND1 HIS A 53 -19.562 -14.873 -9.516 1.00 1.00 N ATOM 886 CD2 HIS A 53 -19.527 -12.737 -10.042 1.00 1.00 C ATOM 887 CE1 HIS A 53 -20.709 -14.577 -10.111 1.00 1.00 C ATOM 888 NE2 HIS A 53 -20.685 -13.253 -10.436 1.00 1.00 N ATOM 0 H HIS A 53 -16.750 -12.631 -6.684 1.00 1.00 H new ATOM 0 HA HIS A 53 -18.257 -14.978 -7.394 1.00 1.00 H new ATOM 0 HB2 HIS A 53 -17.124 -12.659 -8.672 1.00 1.00 H new ATOM 0 HB3 HIS A 53 -16.699 -14.113 -9.552 1.00 1.00 H new ATOM 0 HD2 HIS A 53 -19.220 -11.709 -10.163 1.00 1.00 H new ATOM 0 HE1 HIS A 53 -21.520 -15.264 -10.304 1.00 1.00 H new ATOM 0 HE2 HIS A 53 -21.434 -12.743 -10.905 1.00 1.00 H new ATOM 896 N ASN A 54 -14.934 -15.068 -7.608 1.00 1.00 N ATOM 897 CA ASN A 54 -13.794 -15.968 -7.631 1.00 1.00 C ATOM 898 C ASN A 54 -13.576 -16.543 -6.230 1.00 1.00 C ATOM 899 O ASN A 54 -13.052 -17.662 -6.127 1.00 1.00 O ATOM 900 CB ASN A 54 -12.519 -15.231 -8.044 1.00 1.00 C ATOM 901 CG ASN A 54 -12.420 -15.116 -9.567 1.00 1.00 C ATOM 902 OD1 ASN A 54 -12.831 -14.138 -10.169 1.00 1.00 O ATOM 903 ND2 ASN A 54 -11.854 -16.167 -10.153 1.00 1.00 N ATOM 0 H ASN A 54 -14.687 -14.079 -7.648 1.00 1.00 H new ATOM 0 HA ASN A 54 -14.002 -16.759 -8.352 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -12.510 -14.236 -7.599 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -11.648 -15.760 -7.658 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -11.742 -16.187 -11.167 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -11.532 -16.953 -9.589 1.00 1.00 H new ATOM 910 N LEU A 55 -13.975 -15.780 -5.197 1.00 1.00 N ATOM 911 CA LEU A 55 -13.824 -16.211 -3.818 1.00 1.00 C ATOM 912 C LEU A 55 -14.567 -17.534 -3.617 1.00 1.00 C ATOM 913 O LEU A 55 -13.919 -18.524 -3.246 1.00 1.00 O ATOM 914 CB LEU A 55 -14.269 -15.105 -2.859 1.00 1.00 C ATOM 915 CG LEU A 55 -14.181 -15.434 -1.367 1.00 1.00 C ATOM 916 CD1 LEU A 55 -12.725 -15.470 -0.899 1.00 1.00 C ATOM 917 CD2 LEU A 55 -15.025 -14.463 -0.541 1.00 1.00 C ATOM 0 H LEU A 55 -14.404 -14.861 -5.304 1.00 1.00 H new ATOM 0 HA LEU A 55 -12.774 -16.396 -3.590 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -13.664 -14.219 -3.052 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -15.301 -14.843 -3.093 1.00 1.00 H new ATOM 0 HG LEU A 55 -14.594 -16.431 -1.212 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -12.690 -15.706 0.165 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -12.182 -16.232 -1.458 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -12.264 -14.497 -1.070 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -14.945 -14.719 0.515 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -14.666 -13.446 -0.696 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -16.067 -14.531 -0.853 1.00 1.00 H new ATOM 929 N SER A 56 -15.889 -17.525 -3.861 1.00 1.00 N ATOM 930 CA SER A 56 -16.709 -18.715 -3.708 1.00 1.00 C ATOM 931 C SER A 56 -16.356 -19.717 -4.810 1.00 1.00 C ATOM 932 O SER A 56 -16.522 -20.924 -4.584 1.00 1.00 O ATOM 933 CB SER A 56 -18.200 -18.378 -3.755 1.00 1.00 C ATOM 934 OG SER A 56 -18.917 -19.247 -4.628 1.00 1.00 O ATOM 0 H SER A 56 -16.403 -16.699 -4.165 1.00 1.00 H new ATOM 0 HA SER A 56 -16.504 -19.154 -2.732 1.00 1.00 H new ATOM 0 HB2 SER A 56 -18.619 -18.447 -2.751 1.00 1.00 H new ATOM 0 HB3 SER A 56 -18.328 -17.347 -4.084 1.00 1.00 H new ATOM 0 HG SER A 56 -19.865 -19.000 -4.629 1.00 1.00 H new ATOM 940 N LEU A 57 -15.884 -19.205 -5.961 1.00 1.00 N ATOM 941 CA LEU A 57 -15.513 -20.049 -7.084 1.00 1.00 C ATOM 942 C LEU A 57 -14.032 -20.417 -6.972 1.00 1.00 C ATOM 943 O LEU A 57 -13.452 -20.842 -7.982 1.00 1.00 O ATOM 944 CB LEU A 57 -15.880 -19.373 -8.406 1.00 1.00 C ATOM 945 CG LEU A 57 -15.231 -19.959 -9.662 1.00 1.00 C ATOM 946 CD1 LEU A 57 -16.234 -20.031 -10.815 1.00 1.00 C ATOM 947 CD2 LEU A 57 -13.974 -19.176 -10.045 1.00 1.00 C ATOM 0 H LEU A 57 -15.755 -18.207 -6.127 1.00 1.00 H new ATOM 0 HA LEU A 57 -16.076 -20.982 -7.062 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -16.962 -19.418 -8.526 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -15.610 -18.319 -8.340 1.00 1.00 H new ATOM 0 HG LEU A 57 -14.920 -20.980 -9.441 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -15.747 -20.451 -11.695 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -17.074 -20.664 -10.528 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -16.597 -19.029 -11.045 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -13.532 -19.613 -10.941 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -14.238 -18.137 -10.241 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -13.255 -19.220 -9.227 1.00 1.00 H new ATOM 959 N ASN A 58 -13.460 -20.250 -5.766 1.00 1.00 N ATOM 960 CA ASN A 58 -12.061 -20.563 -5.528 1.00 1.00 C ATOM 961 C ASN A 58 -11.960 -21.892 -4.777 1.00 1.00 C ATOM 962 O ASN A 58 -11.877 -22.938 -5.438 1.00 1.00 O ATOM 963 CB ASN A 58 -11.394 -19.484 -4.672 1.00 1.00 C ATOM 964 CG ASN A 58 -10.029 -19.954 -4.164 1.00 1.00 C ATOM 965 OD1 ASN A 58 -9.705 -19.478 -2.965 1.00 1.00 O flip ATOM 966 ND2 ASN A 58 -9.318 -20.700 -4.816 1.00 1.00 N flip ATOM 0 H ASN A 58 -13.956 -19.899 -4.947 1.00 1.00 H new ATOM 0 HA ASN A 58 -11.559 -20.619 -6.494 1.00 1.00 H new ATOM 0 HB2 ASN A 58 -11.274 -18.573 -5.258 1.00 1.00 H new ATOM 0 HB3 ASN A 58 -12.036 -19.237 -3.826 1.00 1.00 H new ATOM 0 HD21 ASN A 58 -9.627 -21.029 -5.731 1.00 1.00 H new ATOM 0 HD22 ASN A 58 -8.414 -20.995 -4.447 1.00 1.00 H new ATOM 973 N ASP A 59 -11.971 -21.827 -3.434 1.00 1.00 N ATOM 974 CA ASP A 59 -11.882 -23.016 -2.604 1.00 1.00 C ATOM 975 C ASP A 59 -13.272 -23.639 -2.462 1.00 1.00 C ATOM 976 O ASP A 59 -13.379 -24.708 -1.844 1.00 1.00 O ATOM 977 CB ASP A 59 -11.372 -22.674 -1.203 1.00 1.00 C ATOM 978 CG ASP A 59 -9.962 -22.081 -1.155 1.00 1.00 C ATOM 979 OD1 ASP A 59 -9.422 -21.864 -2.307 1.00 1.00 O ATOM 980 OD2 ASP A 59 -9.408 -21.837 -0.073 1.00 1.00 O ATOM 0 H ASP A 59 -12.041 -20.955 -2.910 1.00 1.00 H new ATOM 0 HA ASP A 59 -11.188 -23.708 -3.081 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -12.063 -21.967 -0.744 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -11.390 -23.579 -0.595 1.00 1.00 H new ATOM 985 N CYS A 60 -14.292 -22.969 -3.027 1.00 1.00 N ATOM 986 CA CYS A 60 -15.661 -23.454 -2.964 1.00 1.00 C ATOM 987 C CYS A 60 -16.023 -23.755 -1.508 1.00 1.00 C ATOM 988 O CYS A 60 -16.248 -24.931 -1.187 1.00 1.00 O ATOM 989 CB CYS A 60 -15.856 -24.675 -3.865 1.00 1.00 C ATOM 990 SG CYS A 60 -15.189 -26.228 -3.198 1.00 1.00 S ATOM 0 H CYS A 60 -14.182 -22.089 -3.531 1.00 1.00 H new ATOM 0 HA CYS A 60 -16.335 -22.683 -3.336 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -16.922 -24.804 -4.052 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -15.385 -24.477 -4.828 1.00 1.00 H new ATOM 0 HG CYS A 60 -14.139 -25.974 -2.475 1.00 1.00 H new ATOM 996 N PHE A 61 -16.073 -22.704 -0.670 1.00 1.00 N ATOM 997 CA PHE A 61 -16.405 -22.856 0.736 1.00 1.00 C ATOM 998 C PHE A 61 -17.901 -22.602 0.933 1.00 1.00 C ATOM 999 O PHE A 61 -18.581 -22.290 -0.056 1.00 1.00 O ATOM 1000 CB PHE A 61 -15.568 -21.862 1.566 1.00 1.00 C ATOM 1001 CG PHE A 61 -14.842 -20.804 0.745 1.00 1.00 C ATOM 1002 CD1 PHE A 61 -15.580 -19.859 -0.004 1.00 1.00 C ATOM 1003 CD2 PHE A 61 -13.429 -20.755 0.733 1.00 1.00 C ATOM 1004 CE1 PHE A 61 -14.910 -18.875 -0.762 1.00 1.00 C ATOM 1005 CE2 PHE A 61 -12.759 -19.770 -0.025 1.00 1.00 C ATOM 1006 CZ PHE A 61 -13.500 -18.830 -0.773 1.00 1.00 C ATOM 0 H PHE A 61 -15.885 -21.743 -0.954 1.00 1.00 H new ATOM 0 HA PHE A 61 -16.177 -23.869 1.069 1.00 1.00 H new ATOM 0 HB2 PHE A 61 -16.223 -21.363 2.280 1.00 1.00 H new ATOM 0 HB3 PHE A 61 -14.833 -22.421 2.145 1.00 1.00 H new ATOM 0 HD1 PHE A 61 -16.660 -19.890 0.004 1.00 1.00 H new ATOM 0 HD2 PHE A 61 -12.860 -21.473 1.305 1.00 1.00 H new ATOM 0 HE1 PHE A 61 -15.477 -18.156 -1.334 1.00 1.00 H new ATOM 0 HE2 PHE A 61 -11.680 -19.736 -0.032 1.00 1.00 H new ATOM 0 HZ PHE A 61 -12.988 -18.077 -1.353 1.00 1.00 H new ATOM 1016 N VAL A 62 -18.376 -22.738 2.184 1.00 1.00 N ATOM 1017 CA VAL A 62 -19.777 -22.525 2.503 1.00 1.00 C ATOM 1018 C VAL A 62 -19.948 -21.139 3.128 1.00 1.00 C ATOM 1019 O VAL A 62 -19.463 -20.934 4.250 1.00 1.00 O ATOM 1020 CB VAL A 62 -20.287 -23.653 3.402 1.00 1.00 C ATOM 1021 CG1 VAL A 62 -19.471 -24.931 3.193 1.00 1.00 C ATOM 1022 CG2 VAL A 62 -20.277 -23.230 4.872 1.00 1.00 C ATOM 0 H VAL A 62 -17.799 -22.996 2.985 1.00 1.00 H new ATOM 0 HA VAL A 62 -20.383 -22.551 1.597 1.00 1.00 H new ATOM 0 HB VAL A 62 -21.319 -23.864 3.122 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -19.854 -25.717 3.844 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -19.552 -25.249 2.153 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -18.425 -24.738 3.433 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -20.644 -24.050 5.489 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -19.260 -22.978 5.171 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -20.920 -22.360 5.005 1.00 1.00 H new ATOM 1032 N LYS A 63 -20.624 -20.230 2.402 1.00 1.00 N ATOM 1033 CA LYS A 63 -20.854 -18.878 2.882 1.00 1.00 C ATOM 1034 C LYS A 63 -22.104 -18.861 3.764 1.00 1.00 C ATOM 1035 O LYS A 63 -23.031 -19.637 3.488 1.00 1.00 O ATOM 1036 CB LYS A 63 -20.915 -17.896 1.710 1.00 1.00 C ATOM 1037 CG LYS A 63 -22.187 -17.049 1.770 1.00 1.00 C ATOM 1038 CD LYS A 63 -22.105 -15.867 0.802 1.00 1.00 C ATOM 1039 CE LYS A 63 -22.344 -14.543 1.531 1.00 1.00 C ATOM 1040 NZ LYS A 63 -22.652 -13.473 0.568 1.00 1.00 N ATOM 0 H LYS A 63 -21.017 -20.419 1.480 1.00 1.00 H new ATOM 0 HA LYS A 63 -20.021 -18.547 3.502 1.00 1.00 H new ATOM 0 HB2 LYS A 63 -20.040 -17.246 1.729 1.00 1.00 H new ATOM 0 HB3 LYS A 63 -20.884 -18.445 0.769 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -23.051 -17.666 1.524 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -22.336 -16.682 2.786 1.00 1.00 H new ATOM 0 HD2 LYS A 63 -21.126 -15.851 0.324 1.00 1.00 H new ATOM 0 HD3 LYS A 63 -22.844 -15.989 0.010 1.00 1.00 H new ATOM 0 HE2 LYS A 63 -23.167 -14.653 2.237 1.00 1.00 H new ATOM 0 HE3 LYS A 63 -21.461 -14.276 2.111 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 -22.811 -12.581 1.079 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 -21.854 -13.357 -0.089 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 -23.508 -13.723 0.033 1.00 1.00 H new ATOM 1054 N ILE A 64 -22.106 -17.992 4.790 1.00 1.00 N ATOM 1055 CA ILE A 64 -23.232 -17.877 5.701 1.00 1.00 C ATOM 1056 C ILE A 64 -23.851 -16.485 5.567 1.00 1.00 C ATOM 1057 O ILE A 64 -23.520 -15.612 6.383 1.00 1.00 O ATOM 1058 CB ILE A 64 -22.805 -18.226 7.128 1.00 1.00 C ATOM 1059 CG1 ILE A 64 -21.845 -17.173 7.686 1.00 1.00 C ATOM 1060 CG2 ILE A 64 -22.211 -19.635 7.194 1.00 1.00 C ATOM 1061 CD1 ILE A 64 -22.463 -16.448 8.883 1.00 1.00 C ATOM 0 H ILE A 64 -21.332 -17.362 5.000 1.00 1.00 H new ATOM 0 HA ILE A 64 -24.008 -18.597 5.440 1.00 1.00 H new ATOM 0 HB ILE A 64 -23.692 -18.221 7.761 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -20.912 -17.649 7.987 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -21.598 -16.452 6.907 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -21.916 -19.858 8.219 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -22.956 -20.360 6.865 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -21.338 -19.692 6.544 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -21.761 -15.705 9.261 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -23.383 -15.953 8.573 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -22.686 -17.169 9.669 1.00 1.00 H new ATOM 1073 N PRO A 65 -24.723 -16.307 4.558 1.00 1.00 N ATOM 1074 CA PRO A 65 -25.398 -15.048 4.294 1.00 1.00 C ATOM 1075 C PRO A 65 -26.515 -14.800 5.309 1.00 1.00 C ATOM 1076 O PRO A 65 -27.248 -13.813 5.151 1.00 1.00 O ATOM 1077 CB PRO A 65 -25.908 -15.167 2.867 1.00 1.00 C ATOM 1078 CG PRO A 65 -25.908 -16.653 2.547 1.00 1.00 C ATOM 1079 CD PRO A 65 -25.089 -17.360 3.615 1.00 1.00 C ATOM 0 HA PRO A 65 -24.737 -14.187 4.397 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -26.910 -14.747 2.774 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -25.267 -14.619 2.176 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -26.927 -17.040 2.529 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -25.482 -16.831 1.559 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -25.667 -18.145 4.103 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -24.205 -17.834 3.188 1.00 1.00 H new ATOM 1087 N ARG A 66 -26.621 -15.687 6.316 1.00 1.00 N ATOM 1088 CA ARG A 66 -27.639 -15.565 7.345 1.00 1.00 C ATOM 1089 C ARG A 66 -27.540 -16.757 8.298 1.00 1.00 C ATOM 1090 O ARG A 66 -28.175 -17.786 8.024 1.00 1.00 O ATOM 1091 CB ARG A 66 -29.045 -15.516 6.744 1.00 1.00 C ATOM 1092 CG ARG A 66 -30.024 -14.821 7.693 1.00 1.00 C ATOM 1093 CD ARG A 66 -30.204 -13.350 7.313 1.00 1.00 C ATOM 1094 NE ARG A 66 -31.512 -13.156 6.649 1.00 1.00 N ATOM 1095 CZ ARG A 66 -31.837 -12.066 5.921 1.00 1.00 C ATOM 1096 NH1 ARG A 66 -30.934 -11.087 5.779 1.00 1.00 N ATOM 1097 NH2 ARG A 66 -33.046 -11.965 5.351 1.00 1.00 N ATOM 0 H ARG A 66 -26.007 -16.494 6.428 1.00 1.00 H new ATOM 0 HA ARG A 66 -27.467 -14.632 7.882 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -29.019 -14.987 5.791 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -29.391 -16.529 6.537 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -30.988 -15.329 7.663 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -29.657 -14.894 8.717 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -30.143 -12.725 8.204 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -29.399 -13.036 6.648 1.00 1.00 H new ATOM 0 HE ARG A 66 -32.212 -13.891 6.747 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -30.017 -11.172 6.217 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -31.163 -10.257 5.232 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -33.728 -12.715 5.466 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -33.284 -11.138 4.803 1.00 1.00 H new ATOM 1111 N GLU A 67 -26.759 -16.599 9.382 1.00 1.00 N ATOM 1112 CA GLU A 67 -26.580 -17.655 10.364 1.00 1.00 C ATOM 1113 C GLU A 67 -26.925 -17.117 11.754 1.00 1.00 C ATOM 1114 O GLU A 67 -27.178 -15.909 11.872 1.00 1.00 O ATOM 1115 CB GLU A 67 -25.158 -18.219 10.331 1.00 1.00 C ATOM 1116 CG GLU A 67 -25.149 -19.653 9.799 1.00 1.00 C ATOM 1117 CD GLU A 67 -25.908 -19.752 8.474 1.00 1.00 C ATOM 1118 OE1 GLU A 67 -25.801 -18.721 7.707 1.00 1.00 O ATOM 1119 OE2 GLU A 67 -26.563 -20.771 8.209 1.00 1.00 O ATOM 0 H GLU A 67 -26.245 -15.743 9.590 1.00 1.00 H new ATOM 0 HA GLU A 67 -27.253 -18.477 10.119 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -24.528 -17.590 9.702 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -24.731 -18.197 11.334 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -24.121 -19.986 9.659 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -25.603 -20.320 10.533 1.00 1.00 H new ATOM 1204 N GLY A 74 -18.827 -9.935 10.469 1.00 1.00 N ATOM 1205 CA GLY A 74 -18.890 -10.209 9.044 1.00 1.00 C ATOM 1206 C GLY A 74 -19.607 -11.541 8.815 1.00 1.00 C ATOM 1207 O GLY A 74 -20.725 -11.703 9.327 1.00 1.00 O ATOM 0 HA2 GLY A 74 -19.419 -9.406 8.531 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -17.885 -10.248 8.625 1.00 1.00 H new ATOM 1211 N ASN A 75 -18.962 -12.451 8.064 1.00 1.00 N ATOM 1212 CA ASN A 75 -19.535 -13.754 7.773 1.00 1.00 C ATOM 1213 C ASN A 75 -18.515 -14.843 8.114 1.00 1.00 C ATOM 1214 O ASN A 75 -17.473 -14.512 8.699 1.00 1.00 O ATOM 1215 CB ASN A 75 -19.886 -13.883 6.290 1.00 1.00 C ATOM 1216 CG ASN A 75 -20.625 -12.639 5.792 1.00 1.00 C ATOM 1217 OD1 ASN A 75 -20.115 -12.116 4.681 1.00 1.00 O flip ATOM 1218 ND2 ASN A 75 -21.594 -12.185 6.377 1.00 1.00 N flip ATOM 0 H ASN A 75 -18.042 -12.297 7.652 1.00 1.00 H new ATOM 0 HA ASN A 75 -20.441 -13.864 8.369 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -18.976 -14.027 5.708 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -20.506 -14.766 6.135 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -21.935 -12.636 7.226 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -22.064 -11.354 6.017 1.00 1.00 H new ATOM 1225 N TYR A 76 -18.829 -16.098 7.747 1.00 1.00 N ATOM 1226 CA TYR A 76 -17.904 -17.178 8.045 1.00 1.00 C ATOM 1227 C TYR A 76 -17.973 -18.225 6.931 1.00 1.00 C ATOM 1228 O TYR A 76 -18.924 -19.019 6.936 1.00 1.00 O ATOM 1229 CB TYR A 76 -18.227 -17.786 9.423 1.00 1.00 C ATOM 1230 CG TYR A 76 -18.507 -16.763 10.515 1.00 1.00 C ATOM 1231 CD1 TYR A 76 -17.523 -15.813 10.874 1.00 1.00 C ATOM 1232 CD2 TYR A 76 -19.754 -16.763 11.181 1.00 1.00 C ATOM 1233 CE1 TYR A 76 -17.785 -14.869 11.889 1.00 1.00 C ATOM 1234 CE2 TYR A 76 -20.017 -15.818 12.195 1.00 1.00 C ATOM 1235 CZ TYR A 76 -19.033 -14.870 12.550 1.00 1.00 C ATOM 1236 OH TYR A 76 -19.292 -13.957 13.533 1.00 1.00 O ATOM 0 H TYR A 76 -19.684 -16.372 7.263 1.00 1.00 H new ATOM 0 HA TYR A 76 -16.885 -16.794 8.089 1.00 1.00 H new ATOM 0 HB2 TYR A 76 -19.094 -18.439 9.324 1.00 1.00 H new ATOM 0 HB3 TYR A 76 -17.391 -18.412 9.735 1.00 1.00 H new ATOM 0 HD1 TYR A 76 -16.568 -15.810 10.370 1.00 1.00 H new ATOM 0 HD2 TYR A 76 -20.508 -17.489 10.913 1.00 1.00 H new ATOM 0 HE1 TYR A 76 -17.031 -14.145 12.161 1.00 1.00 H new ATOM 0 HE2 TYR A 76 -20.972 -15.820 12.700 1.00 1.00 H new ATOM 0 HH TYR A 76 -20.197 -14.098 13.881 1.00 1.00 H new ATOM 1246 N TRP A 77 -16.991 -18.202 6.012 1.00 1.00 N ATOM 1247 CA TRP A 77 -16.954 -19.140 4.902 1.00 1.00 C ATOM 1248 C TRP A 77 -15.996 -20.284 5.239 1.00 1.00 C ATOM 1249 O TRP A 77 -14.864 -20.002 5.659 1.00 1.00 O ATOM 1250 CB TRP A 77 -16.585 -18.413 3.607 1.00 1.00 C ATOM 1251 CG TRP A 77 -17.475 -17.209 3.295 1.00 1.00 C ATOM 1252 CD1 TRP A 77 -18.151 -16.436 4.156 1.00 1.00 C ATOM 1253 CD2 TRP A 77 -17.761 -16.667 1.988 1.00 1.00 C ATOM 1254 NE1 TRP A 77 -18.848 -15.440 3.503 1.00 1.00 N ATOM 1255 CE2 TRP A 77 -18.603 -15.585 2.143 1.00 1.00 C ATOM 1256 CE3 TRP A 77 -17.321 -17.077 0.717 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 -19.079 -14.823 1.068 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 -17.806 -16.306 -0.347 1.00 1.00 C ATOM 1259 CH2 TRP A 77 -18.654 -15.214 -0.207 1.00 1.00 C ATOM 0 H TRP A 77 -16.216 -17.539 6.026 1.00 1.00 H new ATOM 0 HA TRP A 77 -17.940 -19.576 4.741 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -15.549 -18.079 3.672 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -16.641 -19.118 2.778 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -18.150 -16.575 5.227 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -19.435 -14.728 3.938 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -16.661 -17.920 0.573 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -19.738 -13.980 1.215 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -17.500 -16.579 -1.346 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -18.984 -14.669 -1.079 1.00 1.00 H new ATOM 1270 N THR A 78 -16.460 -21.533 5.051 1.00 1.00 N ATOM 1271 CA THR A 78 -15.650 -22.706 5.333 1.00 1.00 C ATOM 1272 C THR A 78 -15.449 -23.503 4.043 1.00 1.00 C ATOM 1273 O THR A 78 -16.394 -23.581 3.245 1.00 1.00 O ATOM 1274 CB THR A 78 -16.325 -23.510 6.446 1.00 1.00 C ATOM 1275 OG1 THR A 78 -17.523 -23.996 5.845 1.00 1.00 O ATOM 1276 CG2 THR A 78 -16.817 -22.625 7.593 1.00 1.00 C ATOM 0 H THR A 78 -17.396 -21.744 4.704 1.00 1.00 H new ATOM 0 HA THR A 78 -14.657 -22.432 5.688 1.00 1.00 H new ATOM 0 HB THR A 78 -15.625 -24.251 6.834 1.00 1.00 H new ATOM 0 HG1 THR A 78 -18.023 -24.530 6.497 1.00 1.00 H new ATOM 0 HG21 THR A 78 -17.288 -23.246 8.355 1.00 1.00 H new ATOM 0 HG22 THR A 78 -15.972 -22.092 8.030 1.00 1.00 H new ATOM 0 HG23 THR A 78 -17.542 -21.906 7.212 1.00 1.00 H new ATOM 1284 N LEU A 79 -14.241 -24.069 3.867 1.00 1.00 N ATOM 1285 CA LEU A 79 -13.923 -24.852 2.685 1.00 1.00 C ATOM 1286 C LEU A 79 -14.770 -26.126 2.679 1.00 1.00 C ATOM 1287 O LEU A 79 -14.837 -26.795 3.721 1.00 1.00 O ATOM 1288 CB LEU A 79 -12.417 -25.114 2.606 1.00 1.00 C ATOM 1289 CG LEU A 79 -11.569 -23.980 2.027 1.00 1.00 C ATOM 1290 CD1 LEU A 79 -11.363 -22.868 3.057 1.00 1.00 C ATOM 1291 CD2 LEU A 79 -10.241 -24.511 1.484 1.00 1.00 C ATOM 0 H LEU A 79 -13.476 -23.992 4.537 1.00 1.00 H new ATOM 0 HA LEU A 79 -14.175 -24.297 1.781 1.00 1.00 H new ATOM 0 HB2 LEU A 79 -12.054 -25.337 3.609 1.00 1.00 H new ATOM 0 HB3 LEU A 79 -12.255 -26.007 2.003 1.00 1.00 H new ATOM 0 HG LEU A 79 -12.110 -23.544 1.187 1.00 1.00 H new ATOM 0 HD11 LEU A 79 -10.757 -22.075 2.620 1.00 1.00 H new ATOM 0 HD12 LEU A 79 -12.331 -22.464 3.354 1.00 1.00 H new ATOM 0 HD13 LEU A 79 -10.854 -23.272 3.932 1.00 1.00 H new ATOM 0 HD21 LEU A 79 -9.657 -23.685 1.078 1.00 1.00 H new ATOM 0 HD22 LEU A 79 -9.683 -24.988 2.290 1.00 1.00 H new ATOM 0 HD23 LEU A 79 -10.435 -25.239 0.696 1.00 1.00 H new ATOM 1303 N ASP A 80 -15.389 -26.432 1.525 1.00 1.00 N ATOM 1304 CA ASP A 80 -16.223 -27.614 1.388 1.00 1.00 C ATOM 1305 C ASP A 80 -15.513 -28.632 0.493 1.00 1.00 C ATOM 1306 O ASP A 80 -15.547 -28.463 -0.735 1.00 1.00 O ATOM 1307 CB ASP A 80 -17.565 -27.270 0.739 1.00 1.00 C ATOM 1308 CG ASP A 80 -18.750 -28.110 1.219 1.00 1.00 C ATOM 1309 OD1 ASP A 80 -18.972 -28.268 2.429 1.00 1.00 O ATOM 1310 OD2 ASP A 80 -19.471 -28.622 0.280 1.00 1.00 O ATOM 0 H ASP A 80 -15.320 -25.868 0.678 1.00 1.00 H new ATOM 0 HA ASP A 80 -16.398 -28.020 2.384 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -17.784 -26.219 0.928 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -17.470 -27.387 -0.341 1.00 1.00 H new