USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 652 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 70 ASN : amide:sc= -1.02! C(o=-0.34!,f=-11!) USER MOD Set 1.2: A 76 TYR OH : rot 107:sc= 0.683 USER MOD Set 2.1: A 54 ASN : amide:sc= -4.37! C(o=-7.5!,f=-11!) USER MOD Set 2.2: A 58 ASN :FLIP amide:sc= -3.1! C(o=-8.9!,f=-7.5!) USER MOD Set 3.1: A 49 ASN : amide:sc= -3.18! C(o=-2.3!,f=-6.5!) USER MOD Set 3.2: A 50 SER OG : rot 96:sc= 0.86 USER MOD Single : A 7 SER OG : rot -23:sc= 0.13 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -49:sc= 0.304 USER MOD Single : A 14 MET CE :methyl -117:sc= -0.16 (180deg=-1.27) USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 19 SER OG : rot -67:sc= 0.567 USER MOD Single : A 21 GLN : amide:sc= -0.129 K(o=-0.13,f=-2.2!) USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= -1.68 (180deg=-1.72) USER MOD Single : A 23 LYS NZ :NH3+ -101:sc= 0.0571 (180deg=-0.125) USER MOD Single : A 25 THR OG1 : rot -117:sc= 1.09 USER MOD Single : A 27 SER OG : rot -169:sc= -0.83 USER MOD Single : A 30 CYS SG : rot 150:sc= -0.753 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.126 K(o=-0.13,f=-0.81) 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 :FLIP amide:sc= -2.47! C(o=-3.5!,f=-2.5!) USER MOD Single : A 53 HIS : no HD1:sc= -2.73! C(o=-2.7!,f=-6.1!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -2.41 K(o=-2.4,f=-6.5!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0293 X(o=-0.029,f=-0.38) USER MOD Single : A 83 SER OG : rot -140:sc= -0.854 USER MOD Single : A 86 MET CE :methyl 140:sc= -0.0405 (180deg=-1.93) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 -7.090 -1.093 -8.976 1.00 0.00 N ATOM 89 CA SER A 7 -7.430 -0.488 -10.252 1.00 0.00 C ATOM 90 C SER A 7 -7.778 0.989 -10.055 1.00 0.00 C ATOM 91 O SER A 7 -8.117 1.408 -8.949 1.00 0.00 O ATOM 92 CB SER A 7 -8.594 -1.223 -10.919 1.00 0.00 C ATOM 93 OG SER A 7 -9.692 -1.402 -10.029 1.00 0.00 O ATOM 0 HA SER A 7 -6.563 -0.566 -10.908 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.924 -0.662 -11.793 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.253 -2.195 -11.274 1.00 0.00 H new ATOM 0 HG SER A 7 -9.373 -1.362 -9.103 1.00 0.00 H new ATOM 99 N TYR A 8 -7.683 1.738 -11.144 1.00 0.00 N ATOM 100 CA TYR A 8 -7.984 3.158 -11.104 1.00 0.00 C ATOM 101 C TYR A 8 -9.492 3.402 -11.186 1.00 0.00 C ATOM 102 O TYR A 8 -9.992 4.403 -10.675 1.00 0.00 O ATOM 103 CB TYR A 8 -7.314 3.766 -12.338 1.00 0.00 C ATOM 104 CG TYR A 8 -5.835 3.403 -12.485 1.00 0.00 C ATOM 105 CD1 TYR A 8 -5.005 3.428 -11.383 1.00 0.00 C ATOM 106 CD2 TYR A 8 -5.331 3.049 -13.720 1.00 0.00 C ATOM 107 CE1 TYR A 8 -3.613 3.086 -11.521 1.00 0.00 C ATOM 108 CE2 TYR A 8 -3.939 2.707 -13.859 1.00 0.00 C ATOM 109 CZ TYR A 8 -3.149 2.742 -12.752 1.00 0.00 C ATOM 110 OH TYR A 8 -1.834 2.419 -12.883 1.00 0.00 O ATOM 0 H TYR A 8 -7.402 1.387 -12.060 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.627 3.599 -10.174 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.849 3.436 -13.229 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -7.409 4.851 -12.293 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.400 3.704 -10.416 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.981 3.028 -14.582 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.953 3.102 -10.666 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.532 2.429 -14.820 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.644 2.193 -13.818 1.00 0.00 H new ATOM 120 N ILE A 9 -10.176 2.469 -11.833 1.00 0.00 N ATOM 121 CA ILE A 9 -11.617 2.569 -11.988 1.00 0.00 C ATOM 122 C ILE A 9 -12.243 2.971 -10.652 1.00 0.00 C ATOM 123 O ILE A 9 -13.171 3.778 -10.614 1.00 0.00 O ATOM 124 CB ILE A 9 -12.185 1.273 -12.568 1.00 0.00 C ATOM 125 CG1 ILE A 9 -12.555 0.290 -11.455 1.00 0.00 C ATOM 126 CG2 ILE A 9 -11.218 0.654 -13.580 1.00 0.00 C ATOM 127 CD1 ILE A 9 -13.920 0.632 -10.854 1.00 0.00 C ATOM 0 H ILE A 9 -9.758 1.640 -12.256 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.869 3.349 -12.706 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.103 1.513 -13.105 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.572 -0.725 -11.852 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.794 0.314 -10.675 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.647 -0.266 -13.977 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.047 1.356 -14.396 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.271 0.431 -13.089 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.159 -0.081 -10.065 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -13.892 1.638 -10.436 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.682 0.583 -11.631 1.00 0.00 H new ATOM 139 N ALA A 10 -11.710 2.390 -9.587 1.00 0.00 N ATOM 140 CA ALA A 10 -12.205 2.678 -8.251 1.00 0.00 C ATOM 141 C ALA A 10 -12.112 4.183 -7.990 1.00 0.00 C ATOM 142 O ALA A 10 -13.096 4.812 -7.605 1.00 0.00 O ATOM 143 CB ALA A 10 -11.417 1.859 -7.227 1.00 0.00 C ATOM 0 H ALA A 10 -10.941 1.721 -9.622 1.00 0.00 H new ATOM 0 HA ALA A 10 -13.253 2.392 -8.160 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.788 2.075 -6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.540 0.797 -7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.361 2.121 -7.287 1.00 0.00 H new ATOM 149 N LEU A 11 -10.920 4.716 -8.211 1.00 0.00 N ATOM 150 CA LEU A 11 -10.685 6.135 -8.005 1.00 0.00 C ATOM 151 C LEU A 11 -11.590 6.939 -8.940 1.00 0.00 C ATOM 152 O LEU A 11 -11.988 8.057 -8.617 1.00 0.00 O ATOM 153 CB LEU A 11 -9.198 6.461 -8.159 1.00 0.00 C ATOM 154 CG LEU A 11 -8.278 5.930 -7.058 1.00 0.00 C ATOM 155 CD1 LEU A 11 -8.991 5.921 -5.704 1.00 0.00 C ATOM 156 CD2 LEU A 11 -7.724 4.552 -7.423 1.00 0.00 C ATOM 0 H LEU A 11 -10.106 4.191 -8.531 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.946 6.419 -6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.856 6.063 -9.114 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.087 7.544 -8.207 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.427 6.606 -6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.315 5.539 -4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.295 6.936 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.872 5.282 -5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.073 4.198 -6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.549 3.852 -7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.155 4.623 -8.350 1.00 0.00 H new ATOM 168 N ILE A 12 -11.891 6.337 -10.082 1.00 0.00 N ATOM 169 CA ILE A 12 -12.742 6.983 -11.067 1.00 0.00 C ATOM 170 C ILE A 12 -14.168 7.076 -10.519 1.00 0.00 C ATOM 171 O ILE A 12 -14.739 8.163 -10.447 1.00 0.00 O ATOM 172 CB ILE A 12 -12.646 6.262 -12.413 1.00 0.00 C ATOM 173 CG1 ILE A 12 -11.438 6.753 -13.213 1.00 0.00 C ATOM 174 CG2 ILE A 12 -13.950 6.398 -13.202 1.00 0.00 C ATOM 175 CD1 ILE A 12 -10.129 6.303 -12.562 1.00 0.00 C ATOM 0 H ILE A 12 -11.561 5.409 -10.347 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.404 8.002 -11.253 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.495 5.200 -12.222 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.492 6.370 -14.232 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.460 7.841 -13.280 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -13.855 5.877 -14.155 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -14.769 5.962 -12.630 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -14.156 7.453 -13.385 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.286 6.665 -13.151 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.067 6.708 -11.552 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.100 5.214 -12.519 1.00 0.00 H new ATOM 187 N THR A 13 -14.702 5.922 -10.148 1.00 0.00 N ATOM 188 CA THR A 13 -16.050 5.860 -9.610 1.00 0.00 C ATOM 189 C THR A 13 -16.243 6.929 -8.533 1.00 0.00 C ATOM 190 O THR A 13 -17.292 7.568 -8.469 1.00 0.00 O ATOM 191 CB THR A 13 -16.291 4.436 -9.104 1.00 0.00 C ATOM 192 OG1 THR A 13 -15.359 4.284 -8.037 1.00 0.00 O ATOM 193 CG2 THR A 13 -15.870 3.374 -10.121 1.00 0.00 C ATOM 0 H THR A 13 -14.225 5.022 -10.209 1.00 0.00 H new ATOM 0 HA THR A 13 -16.793 6.078 -10.377 1.00 0.00 H new ATOM 0 HB THR A 13 -17.347 4.310 -8.864 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.472 4.575 -8.334 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.062 2.382 -9.712 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.441 3.504 -11.040 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.807 3.478 -10.336 1.00 0.00 H new ATOM 201 N MET A 14 -15.216 7.089 -7.712 1.00 0.00 N ATOM 202 CA MET A 14 -15.260 8.070 -6.641 1.00 0.00 C ATOM 203 C MET A 14 -15.105 9.489 -7.190 1.00 0.00 C ATOM 204 O MET A 14 -15.636 10.441 -6.619 1.00 0.00 O ATOM 205 CB MET A 14 -14.137 7.784 -5.640 1.00 0.00 C ATOM 206 CG MET A 14 -14.670 7.778 -4.206 1.00 0.00 C ATOM 207 SD MET A 14 -13.310 7.799 -3.050 1.00 0.00 S ATOM 208 CE MET A 14 -12.759 9.485 -3.250 1.00 0.00 C ATOM 0 H MET A 14 -14.348 6.556 -7.767 1.00 0.00 H new ATOM 0 HA MET A 14 -16.228 7.996 -6.146 1.00 0.00 H new ATOM 0 HB2 MET A 14 -13.680 6.821 -5.866 1.00 0.00 H new ATOM 0 HB3 MET A 14 -13.356 8.538 -5.739 1.00 0.00 H new ATOM 0 HG2 MET A 14 -15.310 8.645 -4.043 1.00 0.00 H new ATOM 0 HG3 MET A 14 -15.285 6.893 -4.041 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.741 9.491 -3.640 1.00 0.00 H new ATOM 0 HE2 MET A 14 -13.418 10.003 -3.947 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.780 9.992 -2.285 1.00 0.00 H new ATOM 218 N ALA A 15 -14.375 9.587 -8.291 1.00 0.00 N ATOM 219 CA ALA A 15 -14.144 10.875 -8.924 1.00 0.00 C ATOM 220 C ALA A 15 -15.459 11.394 -9.509 1.00 0.00 C ATOM 221 O ALA A 15 -15.771 12.578 -9.391 1.00 0.00 O ATOM 222 CB ALA A 15 -13.049 10.734 -9.983 1.00 0.00 C ATOM 0 H ALA A 15 -13.936 8.796 -8.761 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.798 11.606 -8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.876 11.700 -10.458 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.128 10.391 -9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.362 10.010 -10.736 1.00 0.00 H new ATOM 228 N ILE A 16 -16.194 10.482 -10.129 1.00 0.00 N ATOM 229 CA ILE A 16 -17.468 10.833 -10.733 1.00 0.00 C ATOM 230 C ILE A 16 -18.512 11.032 -9.633 1.00 0.00 C ATOM 231 O ILE A 16 -19.405 11.868 -9.763 1.00 0.00 O ATOM 232 CB ILE A 16 -17.869 9.792 -11.780 1.00 0.00 C ATOM 233 CG1 ILE A 16 -17.204 10.084 -13.127 1.00 0.00 C ATOM 234 CG2 ILE A 16 -19.391 9.695 -11.902 1.00 0.00 C ATOM 235 CD1 ILE A 16 -15.709 9.763 -13.081 1.00 0.00 C ATOM 0 H ILE A 16 -15.932 9.501 -10.226 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.387 11.778 -11.271 1.00 0.00 H new ATOM 0 HB ILE A 16 -17.510 8.818 -11.448 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -17.683 9.494 -13.908 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -17.347 11.133 -13.387 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -19.649 8.948 -12.653 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -19.815 9.405 -10.941 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -19.795 10.663 -12.199 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -15.260 9.979 -14.051 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -15.229 10.373 -12.315 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.570 8.708 -12.844 1.00 0.00 H new ATOM 247 N LEU A 17 -18.365 10.250 -8.573 1.00 0.00 N ATOM 248 CA LEU A 17 -19.284 10.331 -7.451 1.00 0.00 C ATOM 249 C LEU A 17 -19.065 11.652 -6.711 1.00 0.00 C ATOM 250 O LEU A 17 -20.012 12.243 -6.194 1.00 0.00 O ATOM 251 CB LEU A 17 -19.148 9.096 -6.558 1.00 0.00 C ATOM 252 CG LEU A 17 -20.147 7.966 -6.818 1.00 0.00 C ATOM 253 CD1 LEU A 17 -21.573 8.408 -6.483 1.00 0.00 C ATOM 254 CD2 LEU A 17 -20.029 7.450 -8.254 1.00 0.00 C ATOM 0 H LEU A 17 -17.623 9.558 -8.468 1.00 0.00 H new ATOM 0 HA LEU A 17 -20.316 10.330 -7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -18.140 8.697 -6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -19.248 9.411 -5.519 1.00 0.00 H new ATOM 0 HG LEU A 17 -19.903 7.135 -6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.263 7.587 -6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -21.629 8.689 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -21.844 9.263 -7.102 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -20.750 6.648 -8.413 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -20.232 8.263 -8.951 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -19.021 7.071 -8.423 1.00 0.00 H new ATOM 266 N GLN A 18 -17.810 12.076 -6.683 1.00 0.00 N ATOM 267 CA GLN A 18 -17.454 13.316 -6.014 1.00 0.00 C ATOM 268 C GLN A 18 -18.022 14.513 -6.780 1.00 0.00 C ATOM 269 O GLN A 18 -18.154 15.603 -6.225 1.00 0.00 O ATOM 270 CB GLN A 18 -15.938 13.437 -5.854 1.00 0.00 C ATOM 271 CG GLN A 18 -15.301 14.049 -7.105 1.00 0.00 C ATOM 272 CD GLN A 18 -14.777 15.457 -6.820 1.00 0.00 C ATOM 273 OE1 GLN A 18 -15.606 16.429 -7.191 1.00 0.00 O flip ATOM 274 NE2 GLN A 18 -13.691 15.650 -6.298 1.00 0.00 N flip ATOM 0 H GLN A 18 -17.027 11.583 -7.113 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.892 13.307 -5.016 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -15.709 14.055 -4.986 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.509 12.453 -5.667 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.483 13.415 -7.448 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.035 14.086 -7.910 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.103 14.859 -6.037 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.372 16.603 -6.122 1.00 0.00 H new ATOM 283 N SER A 19 -18.343 14.270 -8.042 1.00 0.00 N ATOM 284 CA SER A 19 -18.894 15.314 -8.889 1.00 0.00 C ATOM 285 C SER A 19 -20.216 14.848 -9.502 1.00 0.00 C ATOM 286 O SER A 19 -20.308 14.654 -10.713 1.00 0.00 O ATOM 287 CB SER A 19 -17.907 15.707 -9.991 1.00 0.00 C ATOM 288 OG SER A 19 -17.300 14.568 -10.595 1.00 0.00 O ATOM 0 H SER A 19 -18.232 13.365 -8.499 1.00 0.00 H new ATOM 0 HA SER A 19 -19.078 16.194 -8.272 1.00 0.00 H new ATOM 0 HB2 SER A 19 -18.427 16.288 -10.753 1.00 0.00 H new ATOM 0 HB3 SER A 19 -17.133 16.351 -9.572 1.00 0.00 H new ATOM 0 HG SER A 19 -16.721 14.122 -9.943 1.00 0.00 H new ATOM 294 N PRO A 20 -21.232 14.678 -8.614 1.00 0.00 N ATOM 295 CA PRO A 20 -22.545 14.239 -9.055 1.00 0.00 C ATOM 296 C PRO A 20 -23.298 15.374 -9.753 1.00 0.00 C ATOM 297 O PRO A 20 -24.500 15.541 -9.553 1.00 0.00 O ATOM 298 CB PRO A 20 -23.241 13.752 -7.795 1.00 0.00 C ATOM 299 CG PRO A 20 -22.475 14.363 -6.633 1.00 0.00 C ATOM 300 CD PRO A 20 -21.159 14.899 -7.173 1.00 0.00 C ATOM 0 HA PRO A 20 -22.494 13.444 -9.799 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -24.286 14.063 -7.781 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -23.232 12.663 -7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -23.054 15.164 -6.173 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -22.295 13.616 -5.860 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -21.037 15.957 -6.940 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -20.309 14.376 -6.735 1.00 0.00 H new ATOM 308 N GLN A 21 -22.559 16.124 -10.557 1.00 0.00 N ATOM 309 CA GLN A 21 -23.141 17.239 -11.285 1.00 0.00 C ATOM 310 C GLN A 21 -22.920 17.064 -12.789 1.00 0.00 C ATOM 311 O GLN A 21 -23.430 17.846 -13.590 1.00 0.00 O ATOM 312 CB GLN A 21 -22.568 18.571 -10.798 1.00 0.00 C ATOM 313 CG GLN A 21 -23.444 19.742 -11.250 1.00 0.00 C ATOM 314 CD GLN A 21 -22.628 21.034 -11.337 1.00 0.00 C ATOM 315 OE1 GLN A 21 -21.409 21.034 -11.287 1.00 0.00 O ATOM 316 NE2 GLN A 21 -23.367 22.132 -11.470 1.00 0.00 N ATOM 0 H GLN A 21 -21.562 15.982 -10.720 1.00 0.00 H new ATOM 0 HA GLN A 21 -24.214 17.252 -11.094 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -22.496 18.564 -9.710 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -21.556 18.699 -11.183 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -23.883 19.519 -12.222 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -24.269 19.875 -10.550 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -24.384 22.061 -11.505 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -22.917 23.045 -11.537 1.00 0.00 H new ATOM 325 N LYS A 22 -22.160 16.033 -13.127 1.00 0.00 N ATOM 326 CA LYS A 22 -21.865 15.745 -14.520 1.00 0.00 C ATOM 327 C LYS A 22 -20.919 16.816 -15.068 1.00 0.00 C ATOM 328 O LYS A 22 -21.253 17.513 -16.025 1.00 0.00 O ATOM 329 CB LYS A 22 -23.159 15.599 -15.322 1.00 0.00 C ATOM 330 CG LYS A 22 -23.556 14.128 -15.460 1.00 0.00 C ATOM 331 CD LYS A 22 -24.354 13.658 -14.243 1.00 0.00 C ATOM 332 CE LYS A 22 -23.429 13.075 -13.173 1.00 0.00 C ATOM 333 NZ LYS A 22 -24.132 12.983 -11.874 1.00 0.00 N ATOM 0 H LYS A 22 -21.739 15.386 -12.460 1.00 0.00 H new ATOM 0 HA LYS A 22 -21.351 14.788 -14.611 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -23.960 16.151 -14.830 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -23.030 16.039 -16.311 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -24.150 13.991 -16.364 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -22.661 13.515 -15.571 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -24.916 14.494 -13.827 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -25.081 12.906 -14.549 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -23.087 12.086 -13.479 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -22.543 13.701 -13.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -23.533 12.478 -11.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -24.332 13.940 -11.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -25.026 12.466 -11.999 1.00 0.00 H new ATOM 347 N LYS A 23 -19.758 16.912 -14.439 1.00 0.00 N ATOM 348 CA LYS A 23 -18.761 17.886 -14.851 1.00 0.00 C ATOM 349 C LYS A 23 -17.533 17.767 -13.947 1.00 0.00 C ATOM 350 O LYS A 23 -17.572 18.171 -12.785 1.00 0.00 O ATOM 351 CB LYS A 23 -19.367 19.291 -14.885 1.00 0.00 C ATOM 352 CG LYS A 23 -18.293 20.344 -15.166 1.00 0.00 C ATOM 353 CD LYS A 23 -18.482 21.571 -14.272 1.00 0.00 C ATOM 354 CE LYS A 23 -17.133 22.154 -13.848 1.00 0.00 C ATOM 355 NZ LYS A 23 -16.484 21.280 -12.844 1.00 0.00 N ATOM 0 H LYS A 23 -19.484 16.331 -13.646 1.00 0.00 H new ATOM 0 HA LYS A 23 -18.428 17.683 -15.869 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.139 19.340 -15.653 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -19.851 19.505 -13.932 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.305 19.915 -14.997 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.336 20.642 -16.213 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.058 22.328 -14.804 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.057 21.296 -13.388 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.486 22.260 -14.719 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.275 23.152 -13.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.620 21.682 -11.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.909 20.332 -12.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.467 21.212 -13.049 1.00 0.00 H new ATOM 369 N LEU A 24 -16.472 17.212 -14.513 1.00 0.00 N ATOM 370 CA LEU A 24 -15.235 17.035 -13.772 1.00 0.00 C ATOM 371 C LEU A 24 -14.047 17.219 -14.719 1.00 0.00 C ATOM 372 O LEU A 24 -14.165 16.986 -15.921 1.00 0.00 O ATOM 373 CB LEU A 24 -15.235 15.691 -13.041 1.00 0.00 C ATOM 374 CG LEU A 24 -15.409 14.450 -13.919 1.00 0.00 C ATOM 375 CD1 LEU A 24 -14.654 13.255 -13.335 1.00 0.00 C ATOM 376 CD2 LEU A 24 -16.891 14.139 -14.140 1.00 0.00 C ATOM 0 H LEU A 24 -16.443 16.879 -15.477 1.00 0.00 H new ATOM 0 HA LEU A 24 -15.145 17.794 -12.995 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.296 15.597 -12.495 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -16.035 15.703 -12.300 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.974 14.659 -14.896 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.794 12.386 -13.978 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.592 13.492 -13.271 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.037 13.034 -12.339 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -16.987 13.253 -14.767 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -17.372 13.957 -13.179 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.371 14.985 -14.632 1.00 0.00 H new ATOM 388 N THR A 25 -12.930 17.637 -14.142 1.00 0.00 N ATOM 389 CA THR A 25 -11.722 17.855 -14.919 1.00 0.00 C ATOM 390 C THR A 25 -10.691 16.766 -14.619 1.00 0.00 C ATOM 391 O THR A 25 -10.192 16.670 -13.499 1.00 0.00 O ATOM 392 CB THR A 25 -11.218 19.269 -14.622 1.00 0.00 C ATOM 393 OG1 THR A 25 -12.199 20.119 -15.209 1.00 0.00 O ATOM 394 CG2 THR A 25 -9.932 19.603 -15.382 1.00 0.00 C ATOM 0 H THR A 25 -12.836 17.831 -13.145 1.00 0.00 H new ATOM 0 HA THR A 25 -11.921 17.783 -15.988 1.00 0.00 H new ATOM 0 HB THR A 25 -11.045 19.375 -13.551 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.787 20.649 -15.923 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.617 20.617 -15.136 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.148 18.901 -15.098 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.114 19.530 -16.454 1.00 0.00 H new ATOM 402 N LEU A 26 -10.401 15.973 -15.640 1.00 0.00 N ATOM 403 CA LEU A 26 -9.438 14.894 -15.500 1.00 0.00 C ATOM 404 C LEU A 26 -8.224 15.399 -14.718 1.00 0.00 C ATOM 405 O LEU A 26 -7.789 14.761 -13.760 1.00 0.00 O ATOM 406 CB LEU A 26 -9.087 14.307 -16.869 1.00 0.00 C ATOM 407 CG LEU A 26 -7.677 14.602 -17.384 1.00 0.00 C ATOM 408 CD1 LEU A 26 -6.640 13.731 -16.672 1.00 0.00 C ATOM 409 CD2 LEU A 26 -7.606 14.450 -18.905 1.00 0.00 C ATOM 0 H LEU A 26 -10.816 16.056 -16.568 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.868 14.072 -14.928 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.216 13.226 -16.823 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.805 14.683 -17.598 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.439 15.640 -17.153 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.646 13.961 -17.057 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.670 13.932 -15.601 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.864 12.679 -16.850 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.593 14.665 -19.245 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.873 13.430 -19.182 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.302 15.146 -19.373 1.00 0.00 H new ATOM 421 N SER A 27 -7.710 16.539 -15.156 1.00 0.00 N ATOM 422 CA SER A 27 -6.555 17.137 -14.509 1.00 0.00 C ATOM 423 C SER A 27 -6.797 17.247 -13.002 1.00 0.00 C ATOM 424 O SER A 27 -5.981 16.789 -12.204 1.00 0.00 O ATOM 425 CB SER A 27 -6.245 18.514 -15.099 1.00 0.00 C ATOM 426 OG SER A 27 -5.175 19.160 -14.413 1.00 0.00 O ATOM 0 H SER A 27 -8.073 17.064 -15.952 1.00 0.00 H new ATOM 0 HA SER A 27 -5.693 16.494 -14.686 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.988 18.407 -16.153 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.137 19.139 -15.050 1.00 0.00 H new ATOM 0 HG SER A 27 -5.117 20.094 -14.703 1.00 0.00 H new ATOM 432 N GLY A 28 -7.922 17.856 -12.659 1.00 0.00 N ATOM 433 CA GLY A 28 -8.282 18.031 -11.262 1.00 0.00 C ATOM 434 C GLY A 28 -8.481 16.680 -10.573 1.00 0.00 C ATOM 435 O GLY A 28 -8.269 16.556 -9.368 1.00 0.00 O ATOM 0 H GLY A 28 -8.596 18.235 -13.324 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.501 18.593 -10.749 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.197 18.618 -11.190 1.00 0.00 H new ATOM 439 N ILE A 29 -8.886 15.700 -11.368 1.00 0.00 N ATOM 440 CA ILE A 29 -9.116 14.363 -10.850 1.00 0.00 C ATOM 441 C ILE A 29 -7.780 13.746 -10.430 1.00 0.00 C ATOM 442 O ILE A 29 -7.617 13.333 -9.283 1.00 0.00 O ATOM 443 CB ILE A 29 -9.890 13.520 -11.867 1.00 0.00 C ATOM 444 CG1 ILE A 29 -11.395 13.585 -11.601 1.00 0.00 C ATOM 445 CG2 ILE A 29 -9.373 12.080 -11.891 1.00 0.00 C ATOM 446 CD1 ILE A 29 -11.945 14.980 -11.903 1.00 0.00 C ATOM 0 H ILE A 29 -9.061 15.806 -12.367 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.743 14.402 -9.959 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.721 13.940 -12.859 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.909 12.846 -12.216 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.596 13.328 -10.561 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.939 11.502 -12.621 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.318 12.077 -12.165 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.493 11.634 -10.904 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -13.017 14.999 -11.706 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.446 15.713 -11.269 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.764 15.223 -12.950 1.00 0.00 H new ATOM 458 N CYS A 30 -6.859 13.704 -11.381 1.00 0.00 N ATOM 459 CA CYS A 30 -5.543 13.146 -11.124 1.00 0.00 C ATOM 460 C CYS A 30 -4.985 13.794 -9.855 1.00 0.00 C ATOM 461 O CYS A 30 -4.377 13.121 -9.025 1.00 0.00 O ATOM 462 CB CYS A 30 -4.606 13.331 -12.319 1.00 0.00 C ATOM 463 SG CYS A 30 -2.907 12.822 -11.868 1.00 0.00 S ATOM 0 H CYS A 30 -6.998 14.048 -12.331 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.625 12.069 -10.975 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.959 12.739 -13.164 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.610 14.374 -12.636 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.291 12.382 -12.925 1.00 0.00 H new ATOM 469 N GLU A 31 -5.212 15.095 -9.746 1.00 0.00 N ATOM 470 CA GLU A 31 -4.739 15.842 -8.592 1.00 0.00 C ATOM 471 C GLU A 31 -5.475 15.391 -7.329 1.00 0.00 C ATOM 472 O GLU A 31 -4.884 15.323 -6.253 1.00 0.00 O ATOM 473 CB GLU A 31 -4.900 17.348 -8.812 1.00 0.00 C ATOM 474 CG GLU A 31 -3.998 18.140 -7.862 1.00 0.00 C ATOM 475 CD GLU A 31 -2.633 18.409 -8.499 1.00 0.00 C ATOM 476 OE1 GLU A 31 -1.789 17.489 -8.443 1.00 0.00 O ATOM 477 OE2 GLU A 31 -2.465 19.529 -9.028 1.00 0.00 O ATOM 0 H GLU A 31 -5.717 15.651 -10.437 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.676 15.638 -8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.654 17.597 -9.844 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.940 17.633 -8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.476 19.085 -7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.867 17.586 -6.933 1.00 0.00 H new ATOM 484 N PHE A 32 -6.755 15.094 -7.503 1.00 0.00 N ATOM 485 CA PHE A 32 -7.578 14.650 -6.391 1.00 0.00 C ATOM 486 C PHE A 32 -7.219 13.221 -5.979 1.00 0.00 C ATOM 487 O PHE A 32 -7.520 12.798 -4.863 1.00 0.00 O ATOM 488 CB PHE A 32 -9.031 14.681 -6.869 1.00 0.00 C ATOM 489 CG PHE A 32 -9.783 13.365 -6.658 1.00 0.00 C ATOM 490 CD1 PHE A 32 -10.124 12.971 -5.402 1.00 0.00 C ATOM 491 CD2 PHE A 32 -10.111 12.591 -7.726 1.00 0.00 C ATOM 492 CE1 PHE A 32 -10.822 11.750 -5.206 1.00 0.00 C ATOM 493 CE2 PHE A 32 -10.809 11.370 -7.531 1.00 0.00 C ATOM 494 CZ PHE A 32 -11.150 10.975 -6.275 1.00 0.00 C ATOM 0 H PHE A 32 -7.242 15.152 -8.397 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.420 15.298 -5.529 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.559 15.477 -6.344 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.049 14.932 -7.930 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.864 13.587 -4.554 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.841 12.905 -8.723 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.092 11.437 -4.208 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.069 10.755 -8.380 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.681 10.046 -6.126 1.00 0.00 H new ATOM 504 N ILE A 33 -6.580 12.516 -6.901 1.00 0.00 N ATOM 505 CA ILE A 33 -6.177 11.143 -6.648 1.00 0.00 C ATOM 506 C ILE A 33 -4.881 11.139 -5.835 1.00 0.00 C ATOM 507 O ILE A 33 -4.721 10.333 -4.919 1.00 0.00 O ATOM 508 CB ILE A 33 -6.083 10.362 -7.960 1.00 0.00 C ATOM 509 CG1 ILE A 33 -7.456 10.235 -8.622 1.00 0.00 C ATOM 510 CG2 ILE A 33 -5.425 8.998 -7.740 1.00 0.00 C ATOM 511 CD1 ILE A 33 -8.510 9.769 -7.615 1.00 0.00 C ATOM 0 H ILE A 33 -6.331 12.870 -7.825 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.930 10.628 -6.051 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.445 10.921 -8.645 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.751 11.196 -9.044 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.401 9.528 -9.449 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.370 8.463 -8.688 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.419 9.139 -7.344 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.016 8.419 -7.030 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.477 9.687 -8.112 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.225 8.797 -7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.580 10.491 -6.801 1.00 0.00 H new ATOM 523 N SER A 34 -3.988 12.047 -6.199 1.00 0.00 N ATOM 524 CA SER A 34 -2.711 12.158 -5.515 1.00 0.00 C ATOM 525 C SER A 34 -2.935 12.503 -4.041 1.00 0.00 C ATOM 526 O SER A 34 -2.455 11.797 -3.156 1.00 0.00 O ATOM 527 CB SER A 34 -1.821 13.212 -6.177 1.00 0.00 C ATOM 528 OG SER A 34 -0.887 13.775 -5.260 1.00 0.00 O ATOM 0 H SER A 34 -4.124 12.713 -6.959 1.00 0.00 H new ATOM 0 HA SER A 34 -2.202 11.197 -5.584 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.283 12.760 -7.011 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.444 14.004 -6.592 1.00 0.00 H new ATOM 0 HG SER A 34 -0.337 14.442 -5.721 1.00 0.00 H new ATOM 534 N ASN A 35 -3.664 13.587 -3.824 1.00 0.00 N ATOM 535 CA ASN A 35 -3.957 14.034 -2.473 1.00 0.00 C ATOM 536 C ASN A 35 -4.514 12.862 -1.663 1.00 0.00 C ATOM 537 O ASN A 35 -4.174 12.694 -0.493 1.00 0.00 O ATOM 538 CB ASN A 35 -5.006 15.147 -2.477 1.00 0.00 C ATOM 539 CG ASN A 35 -4.476 16.403 -1.781 1.00 0.00 C ATOM 540 OD1 ASN A 35 -3.650 16.345 -0.885 1.00 0.00 O ATOM 541 ND2 ASN A 35 -4.994 17.537 -2.243 1.00 0.00 N ATOM 0 H ASN A 35 -4.061 14.169 -4.561 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.033 14.411 -2.034 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.284 15.386 -3.504 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.909 14.802 -1.974 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.703 18.430 -1.845 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.682 17.514 -2.996 1.00 0.00 H new ATOM 548 N ARG A 36 -5.362 12.081 -2.317 1.00 0.00 N ATOM 549 CA ARG A 36 -5.969 10.930 -1.672 1.00 0.00 C ATOM 550 C ARG A 36 -4.943 9.805 -1.517 1.00 0.00 C ATOM 551 O ARG A 36 -4.770 9.265 -0.426 1.00 0.00 O ATOM 552 CB ARG A 36 -7.164 10.414 -2.478 1.00 0.00 C ATOM 553 CG ARG A 36 -8.355 11.368 -2.364 1.00 0.00 C ATOM 554 CD ARG A 36 -8.879 11.422 -0.928 1.00 0.00 C ATOM 555 NE ARG A 36 -8.271 12.564 -0.210 1.00 0.00 N ATOM 556 CZ ARG A 36 -8.432 13.846 -0.566 1.00 0.00 C ATOM 557 NH1 ARG A 36 -9.181 14.157 -1.632 1.00 0.00 N ATOM 558 NH2 ARG A 36 -7.843 14.818 0.145 1.00 0.00 N ATOM 0 H ARG A 36 -5.643 12.223 -3.287 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.317 11.246 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.881 10.304 -3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.450 9.425 -2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.057 12.367 -2.684 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.151 11.043 -3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.965 11.521 -0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.645 10.491 -0.412 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.694 12.363 0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.629 13.418 -2.173 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.303 15.133 -1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.272 14.582 0.957 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.965 15.794 -0.126 1.00 0.00 H new ATOM 572 N PHE A 37 -4.291 9.487 -2.625 1.00 0.00 N ATOM 573 CA PHE A 37 -3.287 8.436 -2.626 1.00 0.00 C ATOM 574 C PHE A 37 -1.937 8.968 -3.113 1.00 0.00 C ATOM 575 O PHE A 37 -1.791 9.322 -4.282 1.00 0.00 O ATOM 576 CB PHE A 37 -3.773 7.353 -3.592 1.00 0.00 C ATOM 577 CG PHE A 37 -5.163 6.805 -3.263 1.00 0.00 C ATOM 578 CD1 PHE A 37 -6.271 7.523 -3.588 1.00 0.00 C ATOM 579 CD2 PHE A 37 -5.290 5.600 -2.645 1.00 0.00 C ATOM 580 CE1 PHE A 37 -7.562 7.014 -3.283 1.00 0.00 C ATOM 581 CE2 PHE A 37 -6.580 5.092 -2.340 1.00 0.00 C ATOM 582 CZ PHE A 37 -7.689 5.809 -2.665 1.00 0.00 C ATOM 0 H PHE A 37 -4.438 9.938 -3.528 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.153 8.049 -1.616 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.784 7.761 -4.603 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.059 6.530 -3.588 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.170 8.480 -4.078 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.410 5.030 -2.386 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.442 7.584 -3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.681 4.135 -1.849 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.670 5.422 -2.433 1.00 0.00 H new ATOM 592 N PRO A 38 -0.960 9.008 -2.168 1.00 0.00 N ATOM 593 CA PRO A 38 0.372 9.491 -2.489 1.00 0.00 C ATOM 594 C PRO A 38 1.151 8.453 -3.299 1.00 0.00 C ATOM 595 O PRO A 38 1.877 8.803 -4.229 1.00 0.00 O ATOM 596 CB PRO A 38 1.013 9.799 -1.146 1.00 0.00 C ATOM 597 CG PRO A 38 0.195 9.044 -0.111 1.00 0.00 C ATOM 598 CD PRO A 38 -1.098 8.597 -0.774 1.00 0.00 C ATOM 0 HA PRO A 38 0.356 10.379 -3.121 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.055 9.480 -1.128 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.004 10.870 -0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.751 8.183 0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.017 9.682 0.747 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.234 7.519 -0.691 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.965 9.065 -0.307 1.00 0.00 H new ATOM 606 N TYR A 39 0.974 7.197 -2.918 1.00 0.00 N ATOM 607 CA TYR A 39 1.651 6.105 -3.597 1.00 0.00 C ATOM 608 C TYR A 39 1.397 6.157 -5.105 1.00 0.00 C ATOM 609 O TYR A 39 2.305 5.918 -5.900 1.00 0.00 O ATOM 610 CB TYR A 39 1.046 4.818 -3.034 1.00 0.00 C ATOM 611 CG TYR A 39 1.002 4.768 -1.505 1.00 0.00 C ATOM 612 CD1 TYR A 39 2.007 5.358 -0.766 1.00 0.00 C ATOM 613 CD2 TYR A 39 -0.043 4.133 -0.866 1.00 0.00 C ATOM 614 CE1 TYR A 39 1.966 5.311 0.672 1.00 0.00 C ATOM 615 CE2 TYR A 39 -0.085 4.086 0.573 1.00 0.00 C ATOM 616 CZ TYR A 39 0.922 4.677 1.271 1.00 0.00 C ATOM 617 OH TYR A 39 0.882 4.633 2.630 1.00 0.00 O ATOM 0 H TYR A 39 0.371 6.911 -2.147 1.00 0.00 H new ATOM 0 HA TYR A 39 2.728 6.164 -3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.033 4.706 -3.420 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.622 3.968 -3.399 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.825 5.855 -1.267 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.829 3.671 -1.445 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.746 5.769 1.262 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.897 3.593 1.086 1.00 0.00 H new ATOM 0 HH TYR A 39 0.080 4.150 2.918 1.00 0.00 H new ATOM 627 N TYR A 40 0.157 6.470 -5.454 1.00 0.00 N ATOM 628 CA TYR A 40 -0.227 6.556 -6.852 1.00 0.00 C ATOM 629 C TYR A 40 0.538 7.673 -7.564 1.00 0.00 C ATOM 630 O TYR A 40 0.965 7.508 -8.706 1.00 0.00 O ATOM 631 CB TYR A 40 -1.720 6.891 -6.859 1.00 0.00 C ATOM 632 CG TYR A 40 -2.610 5.784 -6.290 1.00 0.00 C ATOM 633 CD1 TYR A 40 -2.057 4.573 -5.928 1.00 0.00 C ATOM 634 CD2 TYR A 40 -3.965 5.997 -6.139 1.00 0.00 C ATOM 635 CE1 TYR A 40 -2.894 3.531 -5.392 1.00 0.00 C ATOM 636 CE2 TYR A 40 -4.802 4.955 -5.603 1.00 0.00 C ATOM 637 CZ TYR A 40 -4.225 3.773 -5.256 1.00 0.00 C ATOM 638 OH TYR A 40 -5.016 2.789 -4.750 1.00 0.00 O ATOM 0 H TYR A 40 -0.594 6.667 -4.792 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.005 5.622 -7.369 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.880 7.803 -6.284 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.030 7.102 -7.883 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.997 4.407 -6.047 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.398 6.945 -6.423 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.474 2.579 -5.104 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.864 5.108 -5.479 1.00 0.00 H new ATOM 0 HH TYR A 40 -5.943 3.103 -4.709 1.00 0.00 H new ATOM 648 N ARG A 41 0.688 8.785 -6.860 1.00 0.00 N ATOM 649 CA ARG A 41 1.394 9.930 -7.410 1.00 0.00 C ATOM 650 C ARG A 41 2.906 9.723 -7.302 1.00 0.00 C ATOM 651 O ARG A 41 3.680 10.416 -7.960 1.00 0.00 O ATOM 652 CB ARG A 41 1.009 11.218 -6.680 1.00 0.00 C ATOM 653 CG ARG A 41 1.482 12.450 -7.454 1.00 0.00 C ATOM 654 CD ARG A 41 2.801 12.981 -6.887 1.00 0.00 C ATOM 655 NE ARG A 41 2.543 14.151 -6.019 1.00 0.00 N ATOM 656 CZ ARG A 41 2.438 14.088 -4.684 1.00 0.00 C ATOM 657 NH1 ARG A 41 2.567 12.911 -4.057 1.00 0.00 N ATOM 658 NH2 ARG A 41 2.203 15.201 -3.977 1.00 0.00 N ATOM 0 H ARG A 41 0.333 8.918 -5.913 1.00 0.00 H new ATOM 0 HA ARG A 41 1.110 10.022 -8.458 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.073 11.258 -6.552 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.448 11.220 -5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.610 12.196 -8.506 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.721 13.229 -7.405 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.303 12.199 -6.318 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.470 13.262 -7.701 1.00 0.00 H new ATOM 0 HE ARG A 41 2.438 15.063 -6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.745 12.063 -4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.487 12.863 -3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.104 16.097 -4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.123 15.153 -2.961 1.00 0.00 H new ATOM 672 N GLU A 42 3.282 8.765 -6.466 1.00 0.00 N ATOM 673 CA GLU A 42 4.687 8.458 -6.263 1.00 0.00 C ATOM 674 C GLU A 42 5.247 7.709 -7.473 1.00 0.00 C ATOM 675 O GLU A 42 6.283 8.089 -8.018 1.00 0.00 O ATOM 676 CB GLU A 42 4.893 7.654 -4.977 1.00 0.00 C ATOM 677 CG GLU A 42 6.275 7.922 -4.378 1.00 0.00 C ATOM 678 CD GLU A 42 7.382 7.437 -5.316 1.00 0.00 C ATOM 679 OE1 GLU A 42 7.433 6.210 -5.547 1.00 0.00 O ATOM 680 OE2 GLU A 42 8.154 8.304 -5.780 1.00 0.00 O ATOM 0 H GLU A 42 2.637 8.192 -5.922 1.00 0.00 H new ATOM 0 HA GLU A 42 5.232 9.396 -6.157 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.122 7.916 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.784 6.590 -5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.394 8.989 -4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.362 7.418 -3.415 1.00 0.00 H new ATOM 687 N LYS A 43 4.538 6.658 -7.859 1.00 0.00 N ATOM 688 CA LYS A 43 4.952 5.852 -8.995 1.00 0.00 C ATOM 689 C LYS A 43 4.532 6.551 -10.290 1.00 0.00 C ATOM 690 O LYS A 43 5.346 6.730 -11.195 1.00 0.00 O ATOM 691 CB LYS A 43 4.415 4.426 -8.864 1.00 0.00 C ATOM 692 CG LYS A 43 5.032 3.508 -9.921 1.00 0.00 C ATOM 693 CD LYS A 43 5.240 2.097 -9.368 1.00 0.00 C ATOM 694 CE LYS A 43 6.389 1.390 -10.090 1.00 0.00 C ATOM 695 NZ LYS A 43 7.635 1.482 -9.296 1.00 0.00 N ATOM 0 H LYS A 43 3.679 6.346 -7.405 1.00 0.00 H new ATOM 0 HA LYS A 43 6.038 5.758 -9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.636 4.040 -7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.330 4.431 -8.970 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.383 3.467 -10.796 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.987 3.918 -10.251 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.453 2.149 -8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.323 1.519 -9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.133 0.344 -10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.542 1.840 -11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.405 0.997 -9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.887 2.482 -9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.490 1.032 -8.370 1.00 0.00 H new ATOM 709 N PHE A 44 3.262 6.927 -10.337 1.00 0.00 N ATOM 710 CA PHE A 44 2.725 7.602 -11.506 1.00 0.00 C ATOM 711 C PHE A 44 3.530 7.252 -12.760 1.00 0.00 C ATOM 712 O PHE A 44 4.189 8.114 -13.338 1.00 0.00 O ATOM 713 CB PHE A 44 2.836 9.105 -11.245 1.00 0.00 C ATOM 714 CG PHE A 44 1.837 9.950 -12.039 1.00 0.00 C ATOM 715 CD1 PHE A 44 1.650 9.715 -13.365 1.00 0.00 C ATOM 716 CD2 PHE A 44 1.136 10.936 -11.417 1.00 0.00 C ATOM 717 CE1 PHE A 44 0.723 10.499 -14.101 1.00 0.00 C ATOM 718 CE2 PHE A 44 0.209 11.720 -12.153 1.00 0.00 C ATOM 719 CZ PHE A 44 0.022 11.485 -13.479 1.00 0.00 C ATOM 0 H PHE A 44 2.590 6.777 -9.585 1.00 0.00 H new ATOM 0 HA PHE A 44 1.693 7.293 -11.672 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.688 9.291 -10.181 1.00 0.00 H new ATOM 0 HB3 PHE A 44 3.847 9.432 -11.488 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.207 8.932 -13.858 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.285 11.122 -10.364 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.574 10.313 -15.154 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.348 12.503 -11.660 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.683 12.081 -14.039 1.00 0.00 H new ATOM 729 N PRO A 45 3.447 5.953 -13.152 1.00 0.00 N ATOM 730 CA PRO A 45 4.160 5.479 -14.326 1.00 0.00 C ATOM 731 C PRO A 45 3.473 5.947 -15.611 1.00 0.00 C ATOM 732 O PRO A 45 4.042 5.845 -16.696 1.00 0.00 O ATOM 733 CB PRO A 45 4.188 3.966 -14.185 1.00 0.00 C ATOM 734 CG PRO A 45 3.095 3.620 -13.187 1.00 0.00 C ATOM 735 CD PRO A 45 2.675 4.904 -12.491 1.00 0.00 C ATOM 0 HA PRO A 45 5.172 5.878 -14.393 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.009 3.481 -15.145 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.161 3.625 -13.832 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.244 3.165 -13.695 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.458 2.893 -12.460 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.604 5.077 -12.592 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.892 4.865 -11.424 1.00 0.00 H new ATOM 743 N ALA A 46 2.258 6.449 -15.445 1.00 0.00 N ATOM 744 CA ALA A 46 1.487 6.933 -16.578 1.00 0.00 C ATOM 745 C ALA A 46 0.004 6.967 -16.203 1.00 0.00 C ATOM 746 O ALA A 46 -0.810 6.274 -16.811 1.00 0.00 O ATOM 747 CB ALA A 46 1.760 6.048 -17.796 1.00 0.00 C ATOM 0 H ALA A 46 1.788 6.531 -14.543 1.00 0.00 H new ATOM 0 HA ALA A 46 1.784 7.949 -16.839 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.182 6.411 -18.646 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.822 6.081 -18.039 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.471 5.021 -17.572 1.00 0.00 H new ATOM 753 N TRP A 47 -0.302 7.781 -15.203 1.00 0.00 N ATOM 754 CA TRP A 47 -1.672 7.915 -14.740 1.00 0.00 C ATOM 755 C TRP A 47 -2.384 8.918 -15.651 1.00 0.00 C ATOM 756 O TRP A 47 -3.460 9.410 -15.317 1.00 0.00 O ATOM 757 CB TRP A 47 -1.716 8.314 -13.263 1.00 0.00 C ATOM 758 CG TRP A 47 -1.393 7.170 -12.300 1.00 0.00 C ATOM 759 CD1 TRP A 47 -0.301 6.393 -12.278 1.00 0.00 C ATOM 760 CD2 TRP A 47 -2.219 6.703 -11.212 1.00 0.00 C ATOM 761 NE1 TRP A 47 -0.363 5.463 -11.260 1.00 0.00 N ATOM 762 CE2 TRP A 47 -1.566 5.658 -10.591 1.00 0.00 C ATOM 763 CE3 TRP A 47 -3.475 7.149 -10.768 1.00 0.00 C ATOM 764 CZ2 TRP A 47 -2.092 4.971 -9.491 1.00 0.00 C ATOM 765 CZ3 TRP A 47 -3.988 6.452 -9.667 1.00 0.00 C ATOM 766 CH2 TRP A 47 -3.343 5.398 -9.031 1.00 0.00 C ATOM 0 H TRP A 47 0.376 8.354 -14.701 1.00 0.00 H new ATOM 0 HA TRP A 47 -2.193 6.960 -14.799 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.009 9.127 -13.096 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.708 8.701 -13.031 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.524 6.483 -12.970 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.344 4.762 -11.039 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.003 7.965 -11.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.561 4.155 -9.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.952 6.755 -9.286 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.805 4.910 -8.185 1.00 0.00 H new ATOM 777 N GLN A 48 -1.753 9.190 -16.783 1.00 0.00 N ATOM 778 CA GLN A 48 -2.312 10.125 -17.745 1.00 0.00 C ATOM 779 C GLN A 48 -3.383 9.437 -18.593 1.00 0.00 C ATOM 780 O GLN A 48 -4.577 9.631 -18.369 1.00 0.00 O ATOM 781 CB GLN A 48 -1.216 10.725 -18.628 1.00 0.00 C ATOM 782 CG GLN A 48 -1.819 11.494 -19.805 1.00 0.00 C ATOM 783 CD GLN A 48 -1.707 10.687 -21.101 1.00 0.00 C ATOM 784 OE1 GLN A 48 -2.834 10.639 -21.806 1.00 0.00 O flip ATOM 785 NE2 GLN A 48 -0.667 10.146 -21.437 1.00 0.00 N flip ATOM 0 H GLN A 48 -0.860 8.780 -17.056 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.780 10.943 -17.197 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.591 11.393 -18.035 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.569 9.931 -19.001 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.866 11.717 -19.600 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.306 12.449 -19.921 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.162 10.223 -20.847 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.626 9.616 -22.308 1.00 0.00 H new ATOM 794 N ASN A 49 -2.918 8.648 -19.550 1.00 0.00 N ATOM 795 CA ASN A 49 -3.822 7.930 -20.433 1.00 0.00 C ATOM 796 C ASN A 49 -4.381 6.709 -19.700 1.00 0.00 C ATOM 797 O ASN A 49 -5.487 6.257 -19.993 1.00 0.00 O ATOM 798 CB ASN A 49 -3.093 7.437 -21.685 1.00 0.00 C ATOM 799 CG ASN A 49 -2.099 6.327 -21.339 1.00 0.00 C ATOM 800 OD1 ASN A 49 -2.444 5.304 -20.771 1.00 0.00 O ATOM 801 ND2 ASN A 49 -0.848 6.586 -21.711 1.00 0.00 N ATOM 0 H ASN A 49 -1.927 8.490 -19.734 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.620 8.612 -20.725 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.818 7.068 -22.411 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.567 8.268 -22.155 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.110 5.908 -21.524 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.627 7.463 -22.183 1.00 0.00 H new ATOM 808 N SER A 50 -3.591 6.209 -18.761 1.00 0.00 N ATOM 809 CA SER A 50 -3.994 5.049 -17.984 1.00 0.00 C ATOM 810 C SER A 50 -5.315 5.333 -17.266 1.00 0.00 C ATOM 811 O SER A 50 -6.296 4.617 -17.457 1.00 0.00 O ATOM 812 CB SER A 50 -2.913 4.661 -16.973 1.00 0.00 C ATOM 813 OG SER A 50 -1.695 4.287 -17.611 1.00 0.00 O ATOM 0 H SER A 50 -2.674 6.586 -18.521 1.00 0.00 H new ATOM 0 HA SER A 50 -4.132 4.211 -18.667 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.728 5.499 -16.301 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.270 3.833 -16.360 1.00 0.00 H new ATOM 0 HG SER A 50 -1.092 5.059 -17.643 1.00 0.00 H new ATOM 819 N ILE A 51 -5.297 6.380 -16.454 1.00 0.00 N ATOM 820 CA ILE A 51 -6.481 6.767 -15.706 1.00 0.00 C ATOM 821 C ILE A 51 -7.540 7.298 -16.674 1.00 0.00 C ATOM 822 O ILE A 51 -8.711 6.933 -16.580 1.00 0.00 O ATOM 823 CB ILE A 51 -6.114 7.754 -14.595 1.00 0.00 C ATOM 824 CG1 ILE A 51 -5.722 7.016 -13.313 1.00 0.00 C ATOM 825 CG2 ILE A 51 -7.245 8.756 -14.357 1.00 0.00 C ATOM 826 CD1 ILE A 51 -4.489 6.140 -13.540 1.00 0.00 C ATOM 0 H ILE A 51 -4.481 6.972 -16.298 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.913 5.902 -15.203 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.242 8.323 -14.918 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.519 7.737 -12.521 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.554 6.398 -12.976 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.959 9.446 -13.563 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.434 9.316 -15.273 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.149 8.222 -14.065 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.232 5.627 -12.613 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.703 5.404 -14.315 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.652 6.764 -13.854 1.00 0.00 H new ATOM 838 N ARG A 52 -7.090 8.150 -17.584 1.00 0.00 N ATOM 839 CA ARG A 52 -7.984 8.734 -18.569 1.00 0.00 C ATOM 840 C ARG A 52 -8.756 7.635 -19.303 1.00 0.00 C ATOM 841 O ARG A 52 -9.941 7.793 -19.593 1.00 0.00 O ATOM 842 CB ARG A 52 -7.209 9.571 -19.589 1.00 0.00 C ATOM 843 CG ARG A 52 -6.991 10.996 -19.077 1.00 0.00 C ATOM 844 CD ARG A 52 -5.922 11.717 -19.899 1.00 0.00 C ATOM 845 NE ARG A 52 -5.017 12.471 -19.003 1.00 0.00 N ATOM 846 CZ ARG A 52 -4.330 13.560 -19.373 1.00 0.00 C ATOM 847 NH1 ARG A 52 -4.440 14.029 -20.623 1.00 0.00 N ATOM 848 NH2 ARG A 52 -3.533 14.181 -18.492 1.00 0.00 N ATOM 0 H ARG A 52 -6.118 8.450 -17.660 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.682 9.382 -18.040 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.246 9.103 -19.792 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.755 9.599 -20.532 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.928 11.551 -19.126 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.691 10.968 -18.029 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.351 10.994 -20.482 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.394 12.397 -20.608 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.910 12.141 -18.044 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.047 13.557 -21.293 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.917 14.858 -20.904 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.450 13.824 -17.540 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.010 15.010 -18.774 1.00 0.00 H new ATOM 862 N HIS A 53 -8.053 6.547 -19.580 1.00 0.00 N ATOM 863 CA HIS A 53 -8.658 5.423 -20.274 1.00 0.00 C ATOM 864 C HIS A 53 -9.700 4.762 -19.370 1.00 0.00 C ATOM 865 O HIS A 53 -10.879 4.704 -19.715 1.00 0.00 O ATOM 866 CB HIS A 53 -7.587 4.443 -20.759 1.00 0.00 C ATOM 867 CG HIS A 53 -8.069 3.018 -20.884 1.00 0.00 C ATOM 868 ND1 HIS A 53 -8.463 2.261 -19.794 1.00 0.00 N ATOM 869 CD2 HIS A 53 -8.219 2.221 -21.981 1.00 0.00 C ATOM 870 CE1 HIS A 53 -8.829 1.064 -20.227 1.00 0.00 C ATOM 871 NE2 HIS A 53 -8.677 1.041 -21.583 1.00 0.00 N ATOM 0 H HIS A 53 -7.071 6.420 -19.337 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.174 5.778 -21.166 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.216 4.777 -21.728 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.744 4.471 -20.069 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.002 2.503 -23.001 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.185 0.249 -19.614 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.882 0.248 -22.190 1.00 0.00 H new ATOM 879 N ASN A 54 -9.227 4.279 -18.230 1.00 0.00 N ATOM 880 CA ASN A 54 -10.103 3.625 -17.274 1.00 0.00 C ATOM 881 C ASN A 54 -11.219 4.589 -16.868 1.00 0.00 C ATOM 882 O ASN A 54 -12.216 4.177 -16.277 1.00 0.00 O ATOM 883 CB ASN A 54 -9.339 3.227 -16.009 1.00 0.00 C ATOM 884 CG ASN A 54 -9.328 1.707 -15.830 1.00 0.00 C ATOM 885 OD1 ASN A 54 -10.053 0.974 -16.483 1.00 0.00 O ATOM 886 ND2 ASN A 54 -8.468 1.277 -14.912 1.00 0.00 N ATOM 0 H ASN A 54 -8.248 4.328 -17.948 1.00 0.00 H new ATOM 0 HA ASN A 54 -10.509 2.731 -17.747 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -8.315 3.597 -16.066 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -9.799 3.696 -15.139 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.385 0.279 -14.718 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.891 1.945 -14.401 1.00 0.00 H new ATOM 893 N LEU A 55 -11.014 5.855 -17.200 1.00 0.00 N ATOM 894 CA LEU A 55 -11.990 6.881 -16.878 1.00 0.00 C ATOM 895 C LEU A 55 -13.123 6.843 -17.906 1.00 0.00 C ATOM 896 O LEU A 55 -14.296 6.791 -17.541 1.00 0.00 O ATOM 897 CB LEU A 55 -11.312 8.248 -16.760 1.00 0.00 C ATOM 898 CG LEU A 55 -12.166 9.371 -16.168 1.00 0.00 C ATOM 899 CD1 LEU A 55 -13.330 8.804 -15.353 1.00 0.00 C ATOM 900 CD2 LEU A 55 -11.309 10.337 -15.347 1.00 0.00 C ATOM 0 H LEU A 55 -10.185 6.193 -17.689 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.437 6.688 -15.903 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.418 8.136 -16.147 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.981 8.554 -17.752 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.597 9.942 -16.991 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.921 9.623 -14.944 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.959 8.189 -15.996 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.940 8.195 -14.537 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.940 11.126 -14.938 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.830 9.795 -14.531 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.545 10.779 -15.987 1.00 0.00 H new ATOM 912 N SER A 56 -12.731 6.872 -19.172 1.00 0.00 N ATOM 913 CA SER A 56 -13.698 6.841 -20.255 1.00 0.00 C ATOM 914 C SER A 56 -14.171 5.406 -20.494 1.00 0.00 C ATOM 915 O SER A 56 -15.372 5.142 -20.529 1.00 0.00 O ATOM 916 CB SER A 56 -13.105 7.425 -21.539 1.00 0.00 C ATOM 917 OG SER A 56 -13.870 7.072 -22.689 1.00 0.00 O ATOM 0 H SER A 56 -11.757 6.917 -19.471 1.00 0.00 H new ATOM 0 HA SER A 56 -14.552 7.455 -19.969 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.057 8.511 -21.455 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.082 7.069 -21.661 1.00 0.00 H new ATOM 0 HG SER A 56 -13.460 7.465 -23.488 1.00 0.00 H new ATOM 923 N LEU A 57 -13.203 4.516 -20.652 1.00 0.00 N ATOM 924 CA LEU A 57 -13.505 3.114 -20.886 1.00 0.00 C ATOM 925 C LEU A 57 -14.025 2.486 -19.592 1.00 0.00 C ATOM 926 O LEU A 57 -13.300 1.755 -18.918 1.00 0.00 O ATOM 927 CB LEU A 57 -12.290 2.395 -21.475 1.00 0.00 C ATOM 928 CG LEU A 57 -12.066 2.576 -22.978 1.00 0.00 C ATOM 929 CD1 LEU A 57 -13.151 1.859 -23.784 1.00 0.00 C ATOM 930 CD2 LEU A 57 -11.967 4.059 -23.342 1.00 0.00 C ATOM 0 H LEU A 57 -12.208 4.738 -20.623 1.00 0.00 H new ATOM 0 HA LEU A 57 -14.296 3.013 -21.629 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.399 2.741 -20.951 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.388 1.329 -21.268 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.113 2.116 -23.240 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.968 2.003 -24.849 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.131 0.794 -23.554 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.127 2.268 -23.525 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.808 4.160 -24.416 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.891 4.565 -23.063 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.131 4.510 -22.807 1.00 0.00 H new ATOM 942 N ASN A 58 -15.276 2.793 -19.282 1.00 0.00 N ATOM 943 CA ASN A 58 -15.900 2.267 -18.080 1.00 0.00 C ATOM 944 C ASN A 58 -17.245 2.965 -17.862 1.00 0.00 C ATOM 945 O ASN A 58 -18.288 2.315 -17.832 1.00 0.00 O ATOM 946 CB ASN A 58 -15.029 2.524 -16.849 1.00 0.00 C ATOM 947 CG ASN A 58 -14.087 1.347 -16.589 1.00 0.00 C ATOM 948 OD1 ASN A 58 -14.691 0.162 -16.586 1.00 0.00 O flip ATOM 949 ND2 ASN A 58 -12.892 1.504 -16.402 1.00 0.00 N flip ATOM 0 H ASN A 58 -15.874 3.400 -19.843 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.031 1.193 -18.211 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -14.448 3.435 -16.994 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -15.663 2.686 -15.978 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.492 2.442 -16.418 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.292 0.697 -16.230 1.00 0.00 H new ATOM 956 N ASP A 59 -17.175 4.280 -17.716 1.00 0.00 N ATOM 957 CA ASP A 59 -18.374 5.073 -17.501 1.00 0.00 C ATOM 958 C ASP A 59 -19.126 5.221 -18.825 1.00 0.00 C ATOM 959 O ASP A 59 -20.334 4.996 -18.885 1.00 0.00 O ATOM 960 CB ASP A 59 -18.024 6.475 -16.998 1.00 0.00 C ATOM 961 CG ASP A 59 -17.766 6.576 -15.493 1.00 0.00 C ATOM 962 OD1 ASP A 59 -18.205 5.649 -14.779 1.00 0.00 O ATOM 963 OD2 ASP A 59 -17.136 7.578 -15.092 1.00 0.00 O ATOM 0 H ASP A 59 -16.308 4.816 -17.742 1.00 0.00 H new ATOM 0 HA ASP A 59 -18.986 4.564 -16.756 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -17.138 6.824 -17.528 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.838 7.152 -17.258 1.00 0.00 H new ATOM 968 N CYS A 60 -18.381 5.597 -19.854 1.00 0.00 N ATOM 969 CA CYS A 60 -18.963 5.777 -21.173 1.00 0.00 C ATOM 970 C CYS A 60 -19.556 7.185 -21.249 1.00 0.00 C ATOM 971 O CYS A 60 -20.772 7.347 -21.332 1.00 0.00 O ATOM 972 CB CYS A 60 -20.006 4.701 -21.483 1.00 0.00 C ATOM 973 SG CYS A 60 -19.685 3.975 -23.132 1.00 0.00 S ATOM 0 H CYS A 60 -17.379 5.782 -19.801 1.00 0.00 H new ATOM 0 HA CYS A 60 -18.189 5.669 -21.932 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -19.974 3.922 -20.721 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -21.006 5.134 -21.455 1.00 0.00 H new ATOM 0 HG CYS A 60 -20.575 3.061 -23.384 1.00 0.00 H new ATOM 979 N PHE A 61 -18.669 8.169 -21.218 1.00 0.00 N ATOM 980 CA PHE A 61 -19.089 9.558 -21.281 1.00 0.00 C ATOM 981 C PHE A 61 -18.305 10.320 -22.352 1.00 0.00 C ATOM 982 O PHE A 61 -17.633 9.712 -23.184 1.00 0.00 O ATOM 983 CB PHE A 61 -18.795 10.178 -19.914 1.00 0.00 C ATOM 984 CG PHE A 61 -17.410 9.837 -19.360 1.00 0.00 C ATOM 985 CD1 PHE A 61 -16.298 10.121 -20.090 1.00 0.00 C ATOM 986 CD2 PHE A 61 -17.291 9.250 -18.139 1.00 0.00 C ATOM 987 CE1 PHE A 61 -15.012 9.804 -19.576 1.00 0.00 C ATOM 988 CE2 PHE A 61 -16.006 8.933 -17.626 1.00 0.00 C ATOM 989 CZ PHE A 61 -14.894 9.217 -18.355 1.00 0.00 C ATOM 0 H PHE A 61 -17.661 8.031 -21.150 1.00 0.00 H new ATOM 0 HA PHE A 61 -20.148 9.615 -21.534 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -18.888 11.261 -19.991 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -19.551 9.843 -19.204 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -16.393 10.587 -21.060 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -18.174 9.025 -17.560 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -14.128 10.029 -20.155 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -15.912 8.466 -16.657 1.00 0.00 H new ATOM 0 HZ PHE A 61 -13.916 8.976 -17.964 1.00 0.00 H new ATOM 999 N VAL A 62 -18.416 11.639 -22.296 1.00 0.00 N ATOM 1000 CA VAL A 62 -17.726 12.490 -23.250 1.00 0.00 C ATOM 1001 C VAL A 62 -16.747 13.398 -22.503 1.00 0.00 C ATOM 1002 O VAL A 62 -16.952 13.704 -21.329 1.00 0.00 O ATOM 1003 CB VAL A 62 -18.742 13.268 -24.088 1.00 0.00 C ATOM 1004 CG1 VAL A 62 -19.635 12.318 -24.889 1.00 0.00 C ATOM 1005 CG2 VAL A 62 -19.581 14.198 -23.209 1.00 0.00 C ATOM 0 H VAL A 62 -18.974 12.139 -21.604 1.00 0.00 H new ATOM 0 HA VAL A 62 -17.143 11.887 -23.947 1.00 0.00 H new ATOM 0 HB VAL A 62 -18.189 13.885 -24.796 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -20.348 12.897 -25.476 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -19.019 11.716 -25.557 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -20.175 11.663 -24.205 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -20.295 14.739 -23.830 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -20.119 13.609 -22.466 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.927 14.909 -22.704 1.00 0.00 H new ATOM 1015 N LYS A 63 -15.704 13.802 -23.213 1.00 0.00 N ATOM 1016 CA LYS A 63 -14.694 14.669 -22.632 1.00 0.00 C ATOM 1017 C LYS A 63 -14.357 15.787 -23.620 1.00 0.00 C ATOM 1018 O LYS A 63 -14.805 15.764 -24.765 1.00 0.00 O ATOM 1019 CB LYS A 63 -13.478 13.852 -22.190 1.00 0.00 C ATOM 1020 CG LYS A 63 -13.882 12.424 -21.817 1.00 0.00 C ATOM 1021 CD LYS A 63 -12.751 11.438 -22.116 1.00 0.00 C ATOM 1022 CE LYS A 63 -13.019 10.674 -23.414 1.00 0.00 C ATOM 1023 NZ LYS A 63 -11.820 9.906 -23.820 1.00 0.00 N ATOM 0 H LYS A 63 -15.537 13.545 -24.186 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.075 15.146 -21.729 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.741 13.827 -22.993 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.003 14.334 -21.336 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.138 12.379 -20.758 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.775 12.138 -22.373 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.806 11.976 -22.195 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.649 10.734 -21.290 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.863 9.997 -23.277 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.295 11.373 -24.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.019 9.393 -24.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.024 10.559 -23.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.574 9.226 -23.073 1.00 0.00 H new ATOM 1037 N ILE A 64 -13.570 16.740 -23.141 1.00 0.00 N ATOM 1038 CA ILE A 64 -13.168 17.865 -23.968 1.00 0.00 C ATOM 1039 C ILE A 64 -11.642 17.908 -24.056 1.00 0.00 C ATOM 1040 O ILE A 64 -10.956 17.874 -23.035 1.00 0.00 O ATOM 1041 CB ILE A 64 -13.791 19.162 -23.448 1.00 0.00 C ATOM 1042 CG1 ILE A 64 -13.779 20.247 -24.526 1.00 0.00 C ATOM 1043 CG2 ILE A 64 -13.102 19.624 -22.162 1.00 0.00 C ATOM 1044 CD1 ILE A 64 -14.915 21.249 -24.309 1.00 0.00 C ATOM 0 H ILE A 64 -13.200 16.756 -22.191 1.00 0.00 H new ATOM 0 HA ILE A 64 -13.543 17.744 -24.984 1.00 0.00 H new ATOM 0 HB ILE A 64 -14.834 18.965 -23.202 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -12.822 20.768 -24.511 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -13.877 19.788 -25.510 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -13.564 20.548 -21.813 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.207 18.855 -21.397 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.044 19.799 -22.359 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -14.883 22.010 -25.089 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -15.872 20.728 -24.348 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -14.800 21.724 -23.335 1.00 0.00 H new ATOM 1056 N PRO A 65 -11.140 17.984 -25.318 1.00 0.00 N ATOM 1057 CA PRO A 65 -9.707 18.032 -25.553 1.00 0.00 C ATOM 1058 C PRO A 65 -9.141 19.411 -25.208 1.00 0.00 C ATOM 1059 O PRO A 65 -9.845 20.254 -24.654 1.00 0.00 O ATOM 1060 CB PRO A 65 -9.536 17.670 -27.019 1.00 0.00 C ATOM 1061 CG PRO A 65 -10.896 17.887 -27.663 1.00 0.00 C ATOM 1062 CD PRO A 65 -11.922 18.026 -26.551 1.00 0.00 C ATOM 0 HA PRO A 65 -9.153 17.340 -24.919 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.777 18.295 -27.490 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.212 16.635 -27.131 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.885 18.781 -28.286 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -11.149 17.049 -28.313 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.475 18.961 -26.637 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.653 17.219 -26.584 1.00 0.00 H new ATOM 1070 N ARG A 66 -7.875 19.598 -25.549 1.00 0.00 N ATOM 1071 CA ARG A 66 -7.206 20.860 -25.282 1.00 0.00 C ATOM 1072 C ARG A 66 -8.167 22.028 -25.512 1.00 0.00 C ATOM 1073 O ARG A 66 -8.551 22.307 -26.646 1.00 0.00 O ATOM 1074 CB ARG A 66 -5.979 21.034 -26.180 1.00 0.00 C ATOM 1075 CG ARG A 66 -6.361 20.928 -27.658 1.00 0.00 C ATOM 1076 CD ARG A 66 -5.302 20.153 -28.444 1.00 0.00 C ATOM 1077 NE ARG A 66 -5.380 18.712 -28.112 1.00 0.00 N ATOM 1078 CZ ARG A 66 -6.362 17.899 -28.522 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -7.357 18.379 -29.281 1.00 0.00 N ATOM 1080 NH2 ARG A 66 -6.351 16.605 -28.173 1.00 0.00 N ATOM 0 H ARG A 66 -7.294 18.896 -26.008 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.882 20.850 -24.241 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.518 22.003 -25.988 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.236 20.274 -25.937 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.326 20.430 -27.753 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.474 21.926 -28.080 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.453 20.297 -29.514 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.309 20.536 -28.208 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.639 18.314 -27.535 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.366 19.364 -29.547 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.105 17.759 -29.593 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.594 16.239 -27.595 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.099 15.986 -28.485 1.00 0.00 H new ATOM 1094 N GLU A 67 -8.527 22.681 -24.416 1.00 0.00 N ATOM 1095 CA GLU A 67 -9.435 23.813 -24.483 1.00 0.00 C ATOM 1096 C GLU A 67 -8.653 25.109 -24.705 1.00 0.00 C ATOM 1097 O GLU A 67 -7.604 25.317 -24.097 1.00 0.00 O ATOM 1098 CB GLU A 67 -10.296 23.901 -23.221 1.00 0.00 C ATOM 1099 CG GLU A 67 -11.174 25.154 -23.244 1.00 0.00 C ATOM 1100 CD GLU A 67 -12.540 24.854 -23.864 1.00 0.00 C ATOM 1101 OE1 GLU A 67 -12.922 23.664 -23.849 1.00 0.00 O ATOM 1102 OE2 GLU A 67 -13.172 25.822 -24.340 1.00 0.00 O ATOM 0 H GLU A 67 -8.206 22.447 -23.477 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.105 23.667 -25.330 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.924 23.014 -23.142 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.655 23.917 -22.339 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.306 25.529 -22.229 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.677 25.940 -23.812 1.00 0.00 H new ATOM 1109 N PRO A 68 -9.207 25.968 -25.602 1.00 0.00 N ATOM 1110 CA PRO A 68 -8.572 27.238 -25.912 1.00 0.00 C ATOM 1111 C PRO A 68 -8.771 28.242 -24.774 1.00 0.00 C ATOM 1112 O PRO A 68 -9.653 29.097 -24.842 1.00 0.00 O ATOM 1113 CB PRO A 68 -9.207 27.687 -27.217 1.00 0.00 C ATOM 1114 CG PRO A 68 -10.496 26.892 -27.349 1.00 0.00 C ATOM 1115 CD PRO A 68 -10.447 25.755 -26.342 1.00 0.00 C ATOM 0 HA PRO A 68 -7.491 27.153 -26.019 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -9.408 28.758 -27.205 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.543 27.497 -28.060 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.359 27.531 -27.162 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.602 26.501 -28.361 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.312 25.776 -25.679 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.450 24.785 -26.839 1.00 0.00 H new ATOM 1123 N GLY A 69 -7.935 28.106 -23.755 1.00 0.00 N ATOM 1124 CA GLY A 69 -8.008 28.990 -22.604 1.00 0.00 C ATOM 1125 C GLY A 69 -7.000 28.576 -21.530 1.00 0.00 C ATOM 1126 O GLY A 69 -6.104 29.345 -21.185 1.00 0.00 O ATOM 0 H GLY A 69 -7.204 27.397 -23.703 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.812 30.016 -22.916 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.016 28.970 -22.189 1.00 0.00 H new ATOM 1130 N ASN A 70 -7.181 27.362 -21.031 1.00 0.00 N ATOM 1131 CA ASN A 70 -6.299 26.836 -20.003 1.00 0.00 C ATOM 1132 C ASN A 70 -5.568 25.605 -20.545 1.00 0.00 C ATOM 1133 O ASN A 70 -6.111 24.502 -20.532 1.00 0.00 O ATOM 1134 CB ASN A 70 -7.089 26.410 -18.765 1.00 0.00 C ATOM 1135 CG ASN A 70 -8.287 25.540 -19.151 1.00 0.00 C ATOM 1136 OD1 ASN A 70 -8.646 25.412 -20.310 1.00 0.00 O ATOM 1137 ND2 ASN A 70 -8.884 24.952 -18.118 1.00 0.00 N ATOM 0 H ASN A 70 -7.926 26.727 -21.320 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.595 27.621 -19.728 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.438 25.859 -18.086 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.435 27.293 -18.228 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.694 24.351 -18.271 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.532 25.102 -17.173 1.00 0.00 H new ATOM 1144 N PRO A 71 -4.316 25.843 -21.019 1.00 0.00 N ATOM 1145 CA PRO A 71 -3.506 24.767 -21.564 1.00 0.00 C ATOM 1146 C PRO A 71 -2.951 23.879 -20.448 1.00 0.00 C ATOM 1147 O PRO A 71 -3.617 22.943 -20.006 1.00 0.00 O ATOM 1148 CB PRO A 71 -2.417 25.462 -22.366 1.00 0.00 C ATOM 1149 CG PRO A 71 -2.381 26.896 -21.864 1.00 0.00 C ATOM 1150 CD PRO A 71 -3.641 27.137 -21.050 1.00 0.00 C ATOM 0 HA PRO A 71 -4.078 24.089 -22.197 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.453 24.973 -22.222 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.635 25.427 -23.433 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.494 27.064 -21.253 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.328 27.592 -22.701 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.402 27.483 -20.044 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.269 27.900 -21.509 1.00 0.00 H new ATOM 1158 N GLY A 72 -1.739 24.204 -20.024 1.00 0.00 N ATOM 1159 CA GLY A 72 -1.088 23.447 -18.968 1.00 0.00 C ATOM 1160 C GLY A 72 -1.794 22.110 -18.736 1.00 0.00 C ATOM 1161 O GLY A 72 -1.455 21.108 -19.365 1.00 0.00 O ATOM 0 H GLY A 72 -1.190 24.981 -20.392 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.045 23.271 -19.232 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.089 24.028 -18.046 1.00 0.00 H new ATOM 1165 N LYS A 73 -2.762 22.137 -17.833 1.00 0.00 N ATOM 1166 CA LYS A 73 -3.519 20.940 -17.510 1.00 0.00 C ATOM 1167 C LYS A 73 -4.994 21.306 -17.331 1.00 0.00 C ATOM 1168 O LYS A 73 -5.685 20.722 -16.499 1.00 0.00 O ATOM 1169 CB LYS A 73 -2.910 20.231 -16.298 1.00 0.00 C ATOM 1170 CG LYS A 73 -1.613 19.513 -16.678 1.00 0.00 C ATOM 1171 CD LYS A 73 -1.330 18.352 -15.723 1.00 0.00 C ATOM 1172 CE LYS A 73 -0.138 18.665 -14.816 1.00 0.00 C ATOM 1173 NZ LYS A 73 0.808 17.527 -14.793 1.00 0.00 N ATOM 0 H LYS A 73 -3.040 22.970 -17.314 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.465 20.224 -18.330 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.711 20.957 -15.510 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.624 19.512 -15.896 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.686 19.139 -17.699 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.782 20.218 -16.655 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.212 18.154 -15.114 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.128 17.447 -16.295 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.371 19.561 -15.170 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.488 18.875 -13.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.611 17.756 -14.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.323 16.680 -14.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.155 17.345 -15.756 1.00 0.00 H new ATOM 1187 N GLY A 74 -5.431 22.271 -18.127 1.00 0.00 N ATOM 1188 CA GLY A 74 -6.811 22.722 -18.067 1.00 0.00 C ATOM 1189 C GLY A 74 -7.686 21.944 -19.052 1.00 0.00 C ATOM 1190 O GLY A 74 -7.417 21.934 -20.252 1.00 0.00 O ATOM 0 H GLY A 74 -4.854 22.753 -18.817 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.195 22.595 -17.055 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.859 23.787 -18.295 1.00 0.00 H new ATOM 1194 N ASN A 75 -8.715 21.311 -18.508 1.00 0.00 N ATOM 1195 CA ASN A 75 -9.631 20.533 -19.325 1.00 0.00 C ATOM 1196 C ASN A 75 -10.918 20.279 -18.538 1.00 0.00 C ATOM 1197 O ASN A 75 -11.041 20.700 -17.389 1.00 0.00 O ATOM 1198 CB ASN A 75 -9.025 19.176 -19.690 1.00 0.00 C ATOM 1199 CG ASN A 75 -8.790 18.326 -18.440 1.00 0.00 C ATOM 1200 OD1 ASN A 75 -8.037 18.682 -17.548 1.00 0.00 O ATOM 1201 ND2 ASN A 75 -9.474 17.186 -18.425 1.00 0.00 N ATOM 0 H ASN A 75 -8.935 21.321 -17.512 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.832 21.096 -20.237 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.691 18.648 -20.373 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.082 19.325 -20.216 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.386 16.549 -17.634 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.087 16.949 -19.205 1.00 0.00 H new ATOM 1208 N TYR A 76 -11.846 19.592 -19.189 1.00 0.00 N ATOM 1209 CA TYR A 76 -13.120 19.278 -18.565 1.00 0.00 C ATOM 1210 C TYR A 76 -13.742 18.028 -19.190 1.00 0.00 C ATOM 1211 O TYR A 76 -13.672 17.835 -20.403 1.00 0.00 O ATOM 1212 CB TYR A 76 -14.030 20.477 -18.837 1.00 0.00 C ATOM 1213 CG TYR A 76 -13.277 21.780 -19.114 1.00 0.00 C ATOM 1214 CD1 TYR A 76 -12.664 22.455 -18.079 1.00 0.00 C ATOM 1215 CD2 TYR A 76 -13.211 22.279 -20.399 1.00 0.00 C ATOM 1216 CE1 TYR A 76 -11.955 23.682 -18.339 1.00 0.00 C ATOM 1217 CE2 TYR A 76 -12.502 23.505 -20.659 1.00 0.00 C ATOM 1218 CZ TYR A 76 -11.909 24.146 -19.616 1.00 0.00 C ATOM 1219 OH TYR A 76 -11.239 25.304 -19.862 1.00 0.00 O ATOM 0 H TYR A 76 -11.741 19.244 -20.142 1.00 0.00 H new ATOM 0 HA TYR A 76 -12.989 19.086 -17.500 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.668 20.249 -19.691 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -14.686 20.624 -17.979 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.716 22.064 -17.074 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.691 21.750 -21.209 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.471 24.221 -17.538 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.442 23.907 -21.660 1.00 0.00 H new ATOM 0 HH TYR A 76 -10.395 25.103 -20.317 1.00 0.00 H new ATOM 1229 N TRP A 77 -14.338 17.211 -18.334 1.00 0.00 N ATOM 1230 CA TRP A 77 -14.973 15.985 -18.787 1.00 0.00 C ATOM 1231 C TRP A 77 -16.461 16.067 -18.441 1.00 0.00 C ATOM 1232 O TRP A 77 -16.827 16.546 -17.369 1.00 0.00 O ATOM 1233 CB TRP A 77 -14.287 14.757 -18.185 1.00 0.00 C ATOM 1234 CG TRP A 77 -12.905 14.465 -18.774 1.00 0.00 C ATOM 1235 CD1 TRP A 77 -11.986 15.344 -19.197 1.00 0.00 C ATOM 1236 CD2 TRP A 77 -12.321 13.163 -18.991 1.00 0.00 C ATOM 1237 NE1 TRP A 77 -10.856 14.706 -19.668 1.00 0.00 N ATOM 1238 CE2 TRP A 77 -11.066 13.338 -19.539 1.00 0.00 C ATOM 1239 CE3 TRP A 77 -12.835 11.881 -18.733 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 -10.221 12.274 -19.875 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 -11.978 10.827 -19.075 1.00 0.00 C ATOM 1242 CH2 TRP A 77 -10.713 10.987 -19.626 1.00 0.00 C ATOM 0 H TRP A 77 -14.395 17.374 -17.329 1.00 0.00 H new ATOM 0 HA TRP A 77 -14.872 15.875 -19.867 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -14.189 14.899 -17.109 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -14.926 13.887 -18.335 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -12.113 16.416 -19.172 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -10.020 15.156 -20.042 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -13.813 11.721 -18.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -9.243 12.437 -20.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -12.325 9.820 -18.898 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -10.111 10.122 -19.862 1.00 0.00 H new ATOM 1253 N THR A 78 -17.279 15.593 -19.369 1.00 0.00 N ATOM 1254 CA THR A 78 -18.719 15.607 -19.176 1.00 0.00 C ATOM 1255 C THR A 78 -19.269 14.179 -19.161 1.00 0.00 C ATOM 1256 O THR A 78 -18.889 13.355 -19.991 1.00 0.00 O ATOM 1257 CB THR A 78 -19.334 16.483 -20.269 1.00 0.00 C ATOM 1258 OG1 THR A 78 -18.702 17.748 -20.096 1.00 0.00 O ATOM 1259 CG2 THR A 78 -20.817 16.771 -20.024 1.00 0.00 C ATOM 0 H THR A 78 -16.972 15.197 -20.257 1.00 0.00 H new ATOM 0 HA THR A 78 -18.984 16.034 -18.209 1.00 0.00 H new ATOM 0 HB THR A 78 -19.214 15.994 -21.236 1.00 0.00 H new ATOM 0 HG1 THR A 78 -19.041 18.378 -20.766 1.00 0.00 H new ATOM 0 HG21 THR A 78 -21.204 17.396 -20.829 1.00 0.00 H new ATOM 0 HG22 THR A 78 -21.370 15.832 -19.996 1.00 0.00 H new ATOM 0 HG23 THR A 78 -20.935 17.290 -19.073 1.00 0.00 H new ATOM 1267 N LEU A 79 -20.154 13.930 -18.207 1.00 0.00 N ATOM 1268 CA LEU A 79 -20.760 12.617 -18.073 1.00 0.00 C ATOM 1269 C LEU A 79 -22.266 12.727 -18.318 1.00 0.00 C ATOM 1270 O LEU A 79 -22.836 13.814 -18.229 1.00 0.00 O ATOM 1271 CB LEU A 79 -20.401 11.997 -16.721 1.00 0.00 C ATOM 1272 CG LEU A 79 -20.710 10.507 -16.563 1.00 0.00 C ATOM 1273 CD1 LEU A 79 -19.616 9.803 -15.756 1.00 0.00 C ATOM 1274 CD2 LEU A 79 -22.097 10.295 -15.954 1.00 0.00 C ATOM 0 H LEU A 79 -20.466 14.616 -17.519 1.00 0.00 H new ATOM 0 HA LEU A 79 -20.363 11.936 -18.826 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -19.336 12.147 -16.546 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -20.932 12.543 -15.941 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.722 10.054 -17.554 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -19.860 8.745 -15.658 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -18.660 9.909 -16.269 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.548 10.253 -14.765 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -22.291 9.227 -15.853 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -22.139 10.766 -14.972 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -22.851 10.741 -16.603 1.00 0.00 H new ATOM 1286 N ASP A 80 -22.869 11.587 -18.623 1.00 0.00 N ATOM 1287 CA ASP A 80 -24.298 11.542 -18.883 1.00 0.00 C ATOM 1288 C ASP A 80 -25.057 11.809 -17.581 1.00 0.00 C ATOM 1289 O ASP A 80 -24.560 11.510 -16.496 1.00 0.00 O ATOM 1290 CB ASP A 80 -24.720 10.166 -19.402 1.00 0.00 C ATOM 1291 CG ASP A 80 -25.124 10.128 -20.877 1.00 0.00 C ATOM 1292 OD1 ASP A 80 -25.429 11.216 -21.411 1.00 0.00 O ATOM 1293 OD2 ASP A 80 -25.118 9.011 -21.439 1.00 0.00 O ATOM 0 H ASP A 80 -22.394 10.687 -18.696 1.00 0.00 H new ATOM 0 HA ASP A 80 -24.528 12.297 -19.634 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -23.897 9.468 -19.248 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -25.557 9.809 -18.802 1.00 0.00 H new ATOM 1298 N PRO A 81 -26.279 12.384 -17.737 1.00 0.00 N ATOM 1299 CA PRO A 81 -27.112 12.695 -16.587 1.00 0.00 C ATOM 1300 C PRO A 81 -27.743 11.427 -16.008 1.00 0.00 C ATOM 1301 O PRO A 81 -28.914 11.144 -16.253 1.00 0.00 O ATOM 1302 CB PRO A 81 -28.140 13.688 -17.103 1.00 0.00 C ATOM 1303 CG PRO A 81 -28.138 13.542 -18.616 1.00 0.00 C ATOM 1304 CD PRO A 81 -26.900 12.751 -19.006 1.00 0.00 C ATOM 0 HA PRO A 81 -26.545 13.123 -15.760 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.127 13.477 -16.692 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -27.882 14.705 -16.808 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -29.040 13.030 -18.951 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -28.132 14.522 -19.094 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -27.162 11.868 -19.589 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -26.225 13.349 -19.619 1.00 0.00 H new ATOM 1312 N GLN A 82 -26.938 10.696 -15.250 1.00 0.00 N ATOM 1313 CA GLN A 82 -27.402 9.465 -14.634 1.00 0.00 C ATOM 1314 C GLN A 82 -26.219 8.667 -14.083 1.00 0.00 C ATOM 1315 O GLN A 82 -26.122 7.461 -14.305 1.00 0.00 O ATOM 1316 CB GLN A 82 -28.214 8.628 -15.626 1.00 0.00 C ATOM 1317 CG GLN A 82 -29.689 8.582 -15.225 1.00 0.00 C ATOM 1318 CD GLN A 82 -30.473 7.627 -16.128 1.00 0.00 C ATOM 1319 OE1 GLN A 82 -30.325 6.417 -16.072 1.00 0.00 O ATOM 1320 NE2 GLN A 82 -31.312 8.236 -16.961 1.00 0.00 N ATOM 0 H GLN A 82 -25.967 10.933 -15.049 1.00 0.00 H new ATOM 0 HA GLN A 82 -28.059 9.723 -13.803 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -28.118 9.049 -16.627 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -27.813 7.615 -15.667 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -29.778 8.262 -14.187 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -30.118 9.582 -15.288 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -31.387 9.253 -16.956 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -31.881 7.686 -17.605 1.00 0.00 H new ATOM 1329 N SER A 83 -25.348 9.373 -13.376 1.00 0.00 N ATOM 1330 CA SER A 83 -24.175 8.746 -12.792 1.00 0.00 C ATOM 1331 C SER A 83 -24.568 7.973 -11.531 1.00 0.00 C ATOM 1332 O SER A 83 -24.168 6.823 -11.354 1.00 0.00 O ATOM 1333 CB SER A 83 -23.101 9.785 -12.464 1.00 0.00 C ATOM 1334 OG SER A 83 -22.175 9.307 -11.492 1.00 0.00 O ATOM 0 H SER A 83 -25.432 10.373 -13.195 1.00 0.00 H new ATOM 0 HA SER A 83 -23.759 8.051 -13.522 1.00 0.00 H new ATOM 0 HB2 SER A 83 -22.565 10.052 -13.375 1.00 0.00 H new ATOM 0 HB3 SER A 83 -23.576 10.694 -12.096 1.00 0.00 H new ATOM 0 HG SER A 83 -21.954 10.029 -10.868 1.00 0.00 H new ATOM 1340 N GLU A 84 -25.346 8.635 -10.688 1.00 0.00 N ATOM 1341 CA GLU A 84 -25.798 8.025 -9.449 1.00 0.00 C ATOM 1342 C GLU A 84 -26.644 6.785 -9.746 1.00 0.00 C ATOM 1343 O GLU A 84 -26.638 5.826 -8.975 1.00 0.00 O ATOM 1344 CB GLU A 84 -26.576 9.028 -8.595 1.00 0.00 C ATOM 1345 CG GLU A 84 -25.633 10.048 -7.952 1.00 0.00 C ATOM 1346 CD GLU A 84 -26.311 10.756 -6.777 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -26.792 10.032 -5.879 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -26.333 12.006 -6.805 1.00 0.00 O ATOM 0 H GLU A 84 -25.675 9.589 -10.839 1.00 0.00 H new ATOM 0 HA GLU A 84 -24.922 7.716 -8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -27.310 9.545 -9.213 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -27.129 8.499 -7.819 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -24.729 9.546 -7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -25.325 10.783 -8.696 1.00 0.00 H new ATOM 1355 N ASP A 85 -27.352 6.845 -10.864 1.00 0.00 N ATOM 1356 CA ASP A 85 -28.202 5.739 -11.272 1.00 0.00 C ATOM 1357 C ASP A 85 -27.329 4.529 -11.609 1.00 0.00 C ATOM 1358 O ASP A 85 -27.516 3.449 -11.051 1.00 0.00 O ATOM 1359 CB ASP A 85 -29.013 6.098 -12.518 1.00 0.00 C ATOM 1360 CG ASP A 85 -30.440 5.547 -12.541 1.00 0.00 C ATOM 1361 OD1 ASP A 85 -30.772 4.792 -11.602 1.00 0.00 O ATOM 1362 OD2 ASP A 85 -31.167 5.893 -13.498 1.00 0.00 O ATOM 0 H ASP A 85 -27.355 7.642 -11.500 1.00 0.00 H new ATOM 0 HA ASP A 85 -28.883 5.516 -10.451 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -29.057 7.184 -12.604 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -28.483 5.730 -13.397 1.00 0.00 H new ATOM 1367 N MET A 86 -26.393 4.749 -12.521 1.00 0.00 N ATOM 1368 CA MET A 86 -25.491 3.690 -12.940 1.00 0.00 C ATOM 1369 C MET A 86 -24.626 3.213 -11.771 1.00 0.00 C ATOM 1370 O MET A 86 -23.975 2.174 -11.860 1.00 0.00 O ATOM 1371 CB MET A 86 -24.591 4.201 -14.066 1.00 0.00 C ATOM 1372 CG MET A 86 -23.849 5.470 -13.641 1.00 0.00 C ATOM 1373 SD MET A 86 -22.761 6.008 -14.950 1.00 0.00 S ATOM 1374 CE MET A 86 -21.246 5.213 -14.441 1.00 0.00 C ATOM 0 H MET A 86 -26.240 5.646 -12.982 1.00 0.00 H new ATOM 0 HA MET A 86 -26.087 2.849 -13.294 1.00 0.00 H new ATOM 0 HB2 MET A 86 -23.872 3.429 -14.340 1.00 0.00 H new ATOM 0 HB3 MET A 86 -25.192 4.406 -14.952 1.00 0.00 H new ATOM 0 HG2 MET A 86 -24.564 6.258 -13.405 1.00 0.00 H new ATOM 0 HG3 MET A 86 -23.274 5.279 -12.735 1.00 0.00 H new ATOM 0 HE1 MET A 86 -20.729 4.820 -15.317 1.00 0.00 H new ATOM 0 HE2 MET A 86 -20.606 5.938 -13.937 1.00 0.00 H new ATOM 0 HE3 MET A 86 -21.476 4.395 -13.758 1.00 0.00 H new ATOM 1384 N PHE A 87 -24.649 3.996 -10.702 1.00 0.00 N ATOM 1385 CA PHE A 87 -23.875 3.666 -9.517 1.00 0.00 C ATOM 1386 C PHE A 87 -24.791 3.369 -8.329 1.00 0.00 C ATOM 1387 O PHE A 87 -24.361 3.431 -7.178 1.00 0.00 O ATOM 1388 CB PHE A 87 -23.015 4.889 -9.190 1.00 0.00 C ATOM 1389 CG PHE A 87 -21.580 4.798 -9.713 1.00 0.00 C ATOM 1390 CD1 PHE A 87 -20.740 3.842 -9.231 1.00 0.00 C ATOM 1391 CD2 PHE A 87 -21.143 5.672 -10.658 1.00 0.00 C ATOM 1392 CE1 PHE A 87 -19.408 3.758 -9.715 1.00 0.00 C ATOM 1393 CE2 PHE A 87 -19.811 5.588 -11.143 1.00 0.00 C ATOM 1394 CZ PHE A 87 -18.972 4.632 -10.661 1.00 0.00 C ATOM 0 H PHE A 87 -25.191 4.857 -10.632 1.00 0.00 H new ATOM 0 HA PHE A 87 -23.268 2.780 -9.704 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -23.488 5.776 -9.610 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -22.989 5.024 -8.109 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -21.087 3.147 -8.480 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -21.809 6.431 -11.040 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.741 3.000 -9.332 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -19.464 6.283 -11.894 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.959 4.567 -11.030 1.00 0.00 H new