USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 736 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 Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc=-0.00881 X(o=-0.0088,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc=-0.00505 X(o=-0.0051,f=-0.013) USER MOD Single : A 24 ASN : amide:sc= -5.24! C(o=-5.2!,f=-11!) USER MOD Single : A 26 GLN : amide:sc= -1.79 K(o=-1.8,f=-10!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -39:sc= -3.35! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 GLN : amide:sc=-0.00245 X(o=-0.0025,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HD1:sc=-0.00484 X(o=-0.0048,f=-0.015) USER MOD Single : B 24 ASN : amide:sc= -5.21! C(o=-5.2!,f=-11!) USER MOD Single : B 26 GLN : amide:sc= -1.79 K(o=-1.8,f=-10!) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 TYR OH : rot -43:sc= -3.4! USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N CYS A 16 -15.226 13.631 9.138 1.00 0.00 N ATOM 73 CA CYS A 16 -15.017 12.164 9.319 1.00 0.00 C ATOM 74 C CYS A 16 -13.524 11.868 9.494 1.00 0.00 C ATOM 75 O CYS A 16 -13.142 10.947 10.187 1.00 0.00 O ATOM 76 CB CYS A 16 -15.543 11.523 8.034 1.00 0.00 C ATOM 77 SG CYS A 16 -15.617 9.725 8.243 1.00 0.00 S ATOM 0 HA CYS A 16 -15.528 11.778 10.201 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.533 11.914 7.799 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -14.893 11.776 7.196 1.00 0.00 H new ATOM 82 N GLU A 17 -12.683 12.645 8.870 1.00 0.00 N ATOM 83 CA GLU A 17 -11.215 12.411 9.000 1.00 0.00 C ATOM 84 C GLU A 17 -10.697 12.952 10.340 1.00 0.00 C ATOM 85 O GLU A 17 -9.523 12.861 10.640 1.00 0.00 O ATOM 86 CB GLU A 17 -10.590 13.181 7.836 1.00 0.00 C ATOM 87 CG GLU A 17 -9.155 12.699 7.619 1.00 0.00 C ATOM 88 CD GLU A 17 -9.164 11.461 6.718 1.00 0.00 C ATOM 89 OE1 GLU A 17 -9.964 10.575 6.972 1.00 0.00 O ATOM 90 OE2 GLU A 17 -8.371 11.421 5.793 1.00 0.00 O ATOM 0 H GLU A 17 -12.947 13.431 8.276 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.966 11.350 8.974 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.177 13.031 6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.598 14.250 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.559 13.490 7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.691 12.462 8.576 1.00 0.00 H new ATOM 97 N LEU A 18 -11.557 13.514 11.149 1.00 0.00 N ATOM 98 CA LEU A 18 -11.101 14.053 12.463 1.00 0.00 C ATOM 99 C LEU A 18 -10.683 12.912 13.395 1.00 0.00 C ATOM 100 O LEU A 18 -10.000 13.121 14.377 1.00 0.00 O ATOM 101 CB LEU A 18 -12.320 14.786 13.028 1.00 0.00 C ATOM 102 CG LEU A 18 -11.865 15.797 14.082 1.00 0.00 C ATOM 103 CD1 LEU A 18 -12.653 17.097 13.914 1.00 0.00 C ATOM 104 CD2 LEU A 18 -12.121 15.226 15.479 1.00 0.00 C ATOM 0 H LEU A 18 -12.553 13.623 10.957 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.236 14.708 12.362 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.855 15.296 12.227 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.014 14.072 13.470 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.801 15.997 13.958 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.330 17.818 14.665 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.475 17.504 12.919 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.717 16.896 14.039 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.797 15.945 16.231 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.186 15.027 15.601 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.563 14.298 15.601 1.00 0.00 H new ATOM 116 N TYR A 19 -11.090 11.707 13.098 1.00 0.00 N ATOM 117 CA TYR A 19 -10.713 10.560 13.974 1.00 0.00 C ATOM 118 C TYR A 19 -9.386 9.950 13.517 1.00 0.00 C ATOM 119 O TYR A 19 -8.541 9.606 14.320 1.00 0.00 O ATOM 120 CB TYR A 19 -11.850 9.548 13.813 1.00 0.00 C ATOM 121 CG TYR A 19 -11.514 8.285 14.573 1.00 0.00 C ATOM 122 CD1 TYR A 19 -11.781 8.203 15.957 1.00 0.00 C ATOM 123 CD2 TYR A 19 -10.929 7.188 13.898 1.00 0.00 C ATOM 124 CE1 TYR A 19 -11.465 7.023 16.668 1.00 0.00 C ATOM 125 CE2 TYR A 19 -10.611 6.011 14.611 1.00 0.00 C ATOM 126 CZ TYR A 19 -10.879 5.927 15.995 1.00 0.00 C ATOM 127 OH TYR A 19 -10.570 4.776 16.689 1.00 0.00 O ATOM 0 H TYR A 19 -11.665 11.468 12.290 1.00 0.00 H new ATOM 0 HA TYR A 19 -10.579 10.865 15.012 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.783 9.971 14.185 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -12.002 9.320 12.758 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.226 9.041 16.472 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.726 7.250 12.839 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.671 6.959 17.726 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.162 5.174 14.097 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.175 4.121 16.077 1.00 0.00 H new ATOM 137 N VAL A 20 -9.201 9.802 12.236 1.00 0.00 N ATOM 138 CA VAL A 20 -7.931 9.203 11.735 1.00 0.00 C ATOM 139 C VAL A 20 -6.830 10.261 11.645 1.00 0.00 C ATOM 140 O VAL A 20 -6.186 10.416 10.627 1.00 0.00 O ATOM 141 CB VAL A 20 -8.269 8.663 10.345 1.00 0.00 C ATOM 142 CG1 VAL A 20 -9.355 7.592 10.461 1.00 0.00 C ATOM 143 CG2 VAL A 20 -8.776 9.807 9.463 1.00 0.00 C ATOM 0 H VAL A 20 -9.871 10.069 11.515 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.559 8.424 12.400 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.375 8.227 9.899 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.595 7.208 9.469 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.996 6.776 11.089 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.249 8.027 10.908 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.017 9.423 8.472 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.669 10.243 9.910 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.003 10.571 9.378 1.00 0.00 H new ATOM 153 N GLN A 21 -6.602 10.985 12.705 1.00 0.00 N ATOM 154 CA GLN A 21 -5.535 12.023 12.682 1.00 0.00 C ATOM 155 C GLN A 21 -4.204 11.408 13.146 1.00 0.00 C ATOM 156 O GLN A 21 -3.823 10.346 12.698 1.00 0.00 O ATOM 157 CB GLN A 21 -6.028 13.103 13.648 1.00 0.00 C ATOM 158 CG GLN A 21 -5.371 14.441 13.302 1.00 0.00 C ATOM 159 CD GLN A 21 -5.562 15.420 14.462 1.00 0.00 C ATOM 160 OE1 GLN A 21 -6.285 16.387 14.343 1.00 0.00 O ATOM 161 NE2 GLN A 21 -4.937 15.206 15.588 1.00 0.00 N ATOM 0 H GLN A 21 -7.109 10.903 13.586 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.353 12.433 11.689 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.113 13.192 13.586 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.789 12.824 14.674 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.309 14.296 13.106 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.811 14.849 12.392 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.329 14.393 15.687 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.056 15.852 16.368 1.00 0.00 H new ATOM 170 N LYS A 22 -3.494 12.051 14.041 1.00 0.00 N ATOM 171 CA LYS A 22 -2.204 11.474 14.517 1.00 0.00 C ATOM 172 C LYS A 22 -2.446 10.577 15.737 1.00 0.00 C ATOM 173 O LYS A 22 -1.567 10.376 16.553 1.00 0.00 O ATOM 174 CB LYS A 22 -1.348 12.680 14.903 1.00 0.00 C ATOM 175 CG LYS A 22 -1.077 13.535 13.664 1.00 0.00 C ATOM 176 CD LYS A 22 0.420 13.849 13.580 1.00 0.00 C ATOM 177 CE LYS A 22 0.812 14.781 14.730 1.00 0.00 C ATOM 178 NZ LYS A 22 1.755 15.763 14.124 1.00 0.00 N ATOM 0 H LYS A 22 -3.752 12.945 14.459 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.722 10.858 13.758 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.859 13.273 15.662 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.407 12.346 15.340 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.400 13.007 12.767 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.652 14.460 13.714 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.999 12.927 13.632 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.651 14.317 12.623 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.062 15.280 15.150 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.285 14.229 15.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.069 16.437 14.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.580 15.260 13.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.275 16.278 13.359 1.00 0.00 H new ATOM 192 N HIS A 23 -3.630 10.042 15.872 1.00 0.00 N ATOM 193 CA HIS A 23 -3.927 9.169 17.041 1.00 0.00 C ATOM 194 C HIS A 23 -4.437 7.797 16.582 1.00 0.00 C ATOM 195 O HIS A 23 -4.569 6.882 17.372 1.00 0.00 O ATOM 196 CB HIS A 23 -5.028 9.910 17.800 1.00 0.00 C ATOM 197 CG HIS A 23 -4.474 11.196 18.352 1.00 0.00 C ATOM 198 ND1 HIS A 23 -5.002 12.432 18.016 1.00 0.00 N ATOM 199 CD2 HIS A 23 -3.440 11.452 19.219 1.00 0.00 C ATOM 200 CE1 HIS A 23 -4.290 13.369 18.671 1.00 0.00 C ATOM 201 NE2 HIS A 23 -3.326 12.826 19.418 1.00 0.00 N ATOM 0 H HIS A 23 -4.404 10.173 15.221 1.00 0.00 H new ATOM 0 HA HIS A 23 -3.042 8.986 17.651 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -5.867 10.118 17.136 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.409 9.288 18.610 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.811 10.702 19.677 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.476 14.430 18.600 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.651 13.313 20.008 1.00 0.00 H new ATOM 209 N ASN A 24 -4.737 7.643 15.319 1.00 0.00 N ATOM 210 CA ASN A 24 -5.251 6.329 14.836 1.00 0.00 C ATOM 211 C ASN A 24 -4.257 5.686 13.862 1.00 0.00 C ATOM 212 O ASN A 24 -3.617 4.702 14.177 1.00 0.00 O ATOM 213 CB ASN A 24 -6.572 6.664 14.137 1.00 0.00 C ATOM 214 CG ASN A 24 -7.310 5.377 13.750 1.00 0.00 C ATOM 215 OD1 ASN A 24 -7.922 5.310 12.704 1.00 0.00 O ATOM 216 ND2 ASN A 24 -7.289 4.348 14.556 1.00 0.00 N ATOM 0 H ASN A 24 -4.649 8.366 14.605 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.389 5.612 15.645 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.198 7.266 14.796 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.379 7.262 13.247 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.786 3.493 14.305 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.776 4.400 15.436 1.00 0.00 H new ATOM 223 N ILE A 25 -4.120 6.230 12.686 1.00 0.00 N ATOM 224 CA ILE A 25 -3.164 5.645 11.697 1.00 0.00 C ATOM 225 C ILE A 25 -1.733 6.137 11.979 1.00 0.00 C ATOM 226 O ILE A 25 -0.789 5.708 11.345 1.00 0.00 O ATOM 227 CB ILE A 25 -3.671 6.134 10.329 1.00 0.00 C ATOM 228 CG1 ILE A 25 -4.879 5.296 9.907 1.00 0.00 C ATOM 229 CG2 ILE A 25 -2.576 5.990 9.263 1.00 0.00 C ATOM 230 CD1 ILE A 25 -6.073 5.628 10.802 1.00 0.00 C ATOM 0 H ILE A 25 -4.627 7.054 12.364 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.122 4.557 11.744 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.948 7.184 10.418 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.127 5.496 8.865 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.641 4.235 9.980 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.954 6.341 8.303 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.708 6.584 9.550 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.287 4.943 9.178 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.932 5.030 10.499 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.823 5.405 11.839 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.316 6.686 10.707 1.00 0.00 H new ATOM 242 N GLN A 26 -1.561 7.031 12.916 1.00 0.00 N ATOM 243 CA GLN A 26 -0.191 7.536 13.216 1.00 0.00 C ATOM 244 C GLN A 26 0.726 6.378 13.627 1.00 0.00 C ATOM 245 O GLN A 26 1.789 6.190 13.072 1.00 0.00 O ATOM 246 CB GLN A 26 -0.376 8.513 14.376 1.00 0.00 C ATOM 247 CG GLN A 26 0.483 9.757 14.135 1.00 0.00 C ATOM 248 CD GLN A 26 1.949 9.427 14.420 1.00 0.00 C ATOM 249 OE1 GLN A 26 2.284 8.295 14.702 1.00 0.00 O ATOM 250 NE2 GLN A 26 2.843 10.376 14.356 1.00 0.00 N ATOM 0 H GLN A 26 -2.307 7.432 13.484 1.00 0.00 H new ATOM 0 HA GLN A 26 0.272 8.012 12.351 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.425 8.794 14.465 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.092 8.038 15.315 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.369 10.097 13.106 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.151 10.572 14.778 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.561 11.327 14.119 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.824 10.166 14.543 1.00 0.00 H new ATOM 259 N ALA A 27 0.322 5.603 14.599 1.00 0.00 N ATOM 260 CA ALA A 27 1.173 4.462 15.042 1.00 0.00 C ATOM 261 C ALA A 27 1.568 3.592 13.845 1.00 0.00 C ATOM 262 O ALA A 27 2.609 2.966 13.838 1.00 0.00 O ATOM 263 CB ALA A 27 0.297 3.669 16.014 1.00 0.00 C ATOM 0 H ALA A 27 -0.558 5.711 15.103 1.00 0.00 H new ATOM 0 HA ALA A 27 2.100 4.798 15.506 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.853 2.809 16.386 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.012 4.307 16.851 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.600 3.325 15.498 1.00 0.00 H new ATOM 269 N LEU A 28 0.746 3.550 12.833 1.00 0.00 N ATOM 270 CA LEU A 28 1.074 2.722 11.638 1.00 0.00 C ATOM 271 C LEU A 28 1.917 3.530 10.647 1.00 0.00 C ATOM 272 O LEU A 28 2.864 3.032 10.072 1.00 0.00 O ATOM 273 CB LEU A 28 -0.281 2.368 11.019 1.00 0.00 C ATOM 274 CG LEU A 28 -1.088 1.521 12.006 1.00 0.00 C ATOM 275 CD1 LEU A 28 -2.224 2.361 12.591 1.00 0.00 C ATOM 276 CD2 LEU A 28 -1.677 0.313 11.273 1.00 0.00 C ATOM 0 H LEU A 28 -0.139 4.054 12.782 1.00 0.00 H new ATOM 0 HA LEU A 28 1.652 1.835 11.898 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.828 3.278 10.772 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.135 1.820 10.088 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.436 1.181 12.811 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.798 1.757 13.294 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.808 3.225 13.110 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.877 2.701 11.787 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.252 -0.292 11.973 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.329 0.657 10.470 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.870 -0.287 10.853 1.00 0.00 H new ATOM 288 N LEU A 29 1.574 4.772 10.441 1.00 0.00 N ATOM 289 CA LEU A 29 2.347 5.615 9.484 1.00 0.00 C ATOM 290 C LEU A 29 3.715 5.977 10.067 1.00 0.00 C ATOM 291 O LEU A 29 4.677 6.160 9.346 1.00 0.00 O ATOM 292 CB LEU A 29 1.500 6.871 9.298 1.00 0.00 C ATOM 293 CG LEU A 29 0.806 6.827 7.936 1.00 0.00 C ATOM 294 CD1 LEU A 29 1.858 6.804 6.826 1.00 0.00 C ATOM 295 CD2 LEU A 29 -0.061 5.568 7.842 1.00 0.00 C ATOM 0 H LEU A 29 0.790 5.241 10.895 1.00 0.00 H new ATOM 0 HA LEU A 29 2.535 5.099 8.543 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.758 6.942 10.093 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.128 7.759 9.368 1.00 0.00 H new ATOM 0 HG LEU A 29 0.177 7.710 7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.362 6.773 5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.474 7.701 6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.488 5.922 6.940 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.555 5.538 6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.567 4.684 7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.813 5.584 8.631 1.00 0.00 H new ATOM 307 N LYS A 30 3.808 6.089 11.365 1.00 0.00 N ATOM 308 CA LYS A 30 5.113 6.446 12.001 1.00 0.00 C ATOM 309 C LYS A 30 6.251 5.598 11.421 1.00 0.00 C ATOM 310 O LYS A 30 7.138 6.099 10.758 1.00 0.00 O ATOM 311 CB LYS A 30 4.925 6.140 13.487 1.00 0.00 C ATOM 312 CG LYS A 30 5.634 7.208 14.322 1.00 0.00 C ATOM 313 CD LYS A 30 6.408 6.537 15.459 1.00 0.00 C ATOM 314 CE LYS A 30 6.899 7.606 16.438 1.00 0.00 C ATOM 315 NZ LYS A 30 7.976 6.940 17.224 1.00 0.00 N ATOM 0 H LYS A 30 3.035 5.949 12.016 1.00 0.00 H new ATOM 0 HA LYS A 30 5.379 7.488 11.824 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.863 6.117 13.733 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.328 5.154 13.720 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.315 7.783 13.694 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.906 7.910 14.728 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.769 5.821 15.976 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.254 5.979 15.058 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.278 8.481 15.910 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.092 7.949 17.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.364 7.610 17.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.584 6.115 17.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.733 6.630 16.582 1.00 0.00 H new ATOM 329 N ASP A 31 6.231 4.315 11.660 1.00 0.00 N ATOM 330 CA ASP A 31 7.310 3.441 11.118 1.00 0.00 C ATOM 331 C ASP A 31 7.179 3.326 9.597 1.00 0.00 C ATOM 332 O ASP A 31 8.136 3.052 8.900 1.00 0.00 O ATOM 333 CB ASP A 31 7.092 2.081 11.782 1.00 0.00 C ATOM 334 CG ASP A 31 8.159 1.861 12.854 1.00 0.00 C ATOM 335 OD1 ASP A 31 9.267 2.337 12.667 1.00 0.00 O ATOM 336 OD2 ASP A 31 7.850 1.222 13.847 1.00 0.00 O ATOM 0 H ASP A 31 5.516 3.835 12.206 1.00 0.00 H new ATOM 0 HA ASP A 31 8.305 3.836 11.322 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.098 2.037 12.228 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.142 1.288 11.036 1.00 0.00 H new ATOM 341 N SER A 32 6.000 3.534 9.076 1.00 0.00 N ATOM 342 CA SER A 32 5.811 3.438 7.600 1.00 0.00 C ATOM 343 C SER A 32 6.797 4.364 6.885 1.00 0.00 C ATOM 344 O SER A 32 7.686 3.919 6.185 1.00 0.00 O ATOM 345 CB SER A 32 4.369 3.885 7.353 1.00 0.00 C ATOM 346 OG SER A 32 3.947 3.420 6.077 1.00 0.00 O ATOM 0 H SER A 32 5.161 3.766 9.608 1.00 0.00 H new ATOM 0 HA SER A 32 5.990 2.431 7.222 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.715 3.491 8.131 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.300 4.972 7.398 1.00 0.00 H new ATOM 0 HG SER A 32 3.023 3.703 5.915 1.00 0.00 H new ATOM 352 N ILE A 33 6.651 5.650 7.054 1.00 0.00 N ATOM 353 CA ILE A 33 7.588 6.597 6.381 1.00 0.00 C ATOM 354 C ILE A 33 9.036 6.286 6.773 1.00 0.00 C ATOM 355 O ILE A 33 9.934 6.358 5.961 1.00 0.00 O ATOM 356 CB ILE A 33 7.182 7.994 6.864 1.00 0.00 C ATOM 357 CG1 ILE A 33 7.116 8.039 8.397 1.00 0.00 C ATOM 358 CG2 ILE A 33 5.811 8.355 6.289 1.00 0.00 C ATOM 359 CD1 ILE A 33 8.390 8.681 8.945 1.00 0.00 C ATOM 0 H ILE A 33 5.927 6.085 7.626 1.00 0.00 H new ATOM 0 HA ILE A 33 7.532 6.519 5.295 1.00 0.00 H new ATOM 0 HB ILE A 33 7.929 8.710 6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.243 8.608 8.717 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.004 7.031 8.796 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.522 9.348 6.633 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.860 8.348 5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.073 7.627 6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.342 8.713 10.033 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.255 8.094 8.637 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.483 9.695 8.556 1.00 0.00 H new ATOM 371 N VAL A 34 9.268 5.937 8.009 1.00 0.00 N ATOM 372 CA VAL A 34 10.660 5.622 8.448 1.00 0.00 C ATOM 373 C VAL A 34 11.289 4.581 7.516 1.00 0.00 C ATOM 374 O VAL A 34 12.493 4.493 7.390 1.00 0.00 O ATOM 375 CB VAL A 34 10.513 5.059 9.862 1.00 0.00 C ATOM 376 CG1 VAL A 34 11.880 4.603 10.377 1.00 0.00 C ATOM 377 CG2 VAL A 34 9.960 6.144 10.787 1.00 0.00 C ATOM 0 H VAL A 34 8.555 5.856 8.734 1.00 0.00 H new ATOM 0 HA VAL A 34 11.307 6.499 8.424 1.00 0.00 H new ATOM 0 HB VAL A 34 9.829 4.210 9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.774 4.202 11.385 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.277 3.830 9.719 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.564 5.452 10.394 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.855 5.744 11.795 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.644 6.992 10.803 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.986 6.471 10.423 1.00 0.00 H new ATOM 387 N GLN A 35 10.482 3.789 6.863 1.00 0.00 N ATOM 388 CA GLN A 35 11.038 2.756 5.942 1.00 0.00 C ATOM 389 C GLN A 35 10.976 3.249 4.493 1.00 0.00 C ATOM 390 O GLN A 35 11.898 3.064 3.725 1.00 0.00 O ATOM 391 CB GLN A 35 10.139 1.533 6.131 1.00 0.00 C ATOM 392 CG GLN A 35 10.806 0.555 7.101 1.00 0.00 C ATOM 393 CD GLN A 35 11.374 -0.632 6.317 1.00 0.00 C ATOM 394 OE1 GLN A 35 12.389 -0.512 5.660 1.00 0.00 O ATOM 395 NE2 GLN A 35 10.756 -1.780 6.360 1.00 0.00 N ATOM 0 H GLN A 35 9.464 3.812 6.927 1.00 0.00 H new ATOM 0 HA GLN A 35 12.083 2.532 6.156 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.167 1.839 6.517 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.962 1.047 5.172 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.603 1.057 7.650 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.082 0.206 7.837 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.904 -1.880 6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.125 -2.577 5.842 1.00 0.00 H new ATOM 404 N LEU A 36 9.893 3.873 4.116 1.00 0.00 N ATOM 405 CA LEU A 36 9.774 4.378 2.717 1.00 0.00 C ATOM 406 C LEU A 36 10.644 5.623 2.519 1.00 0.00 C ATOM 407 O LEU A 36 10.890 6.046 1.408 1.00 0.00 O ATOM 408 CB LEU A 36 8.294 4.719 2.543 1.00 0.00 C ATOM 409 CG LEU A 36 7.458 3.444 2.683 1.00 0.00 C ATOM 410 CD1 LEU A 36 6.418 3.625 3.793 1.00 0.00 C ATOM 411 CD2 LEU A 36 6.751 3.150 1.359 1.00 0.00 C ATOM 0 H LEU A 36 9.087 4.055 4.714 1.00 0.00 H new ATOM 0 HA LEU A 36 10.111 3.644 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.988 5.451 3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.126 5.171 1.566 1.00 0.00 H new ATOM 0 HG LEU A 36 8.112 2.610 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.826 2.715 3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.924 3.829 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.763 4.460 3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.156 2.242 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.099 3.985 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.493 3.013 0.573 1.00 0.00 H new ATOM 423 N CYS A 37 11.117 6.216 3.584 1.00 0.00 N ATOM 424 CA CYS A 37 11.972 7.431 3.443 1.00 0.00 C ATOM 425 C CYS A 37 13.116 7.158 2.464 1.00 0.00 C ATOM 426 O CYS A 37 13.522 8.022 1.711 1.00 0.00 O ATOM 427 CB CYS A 37 12.521 7.698 4.845 1.00 0.00 C ATOM 428 SG CYS A 37 12.497 9.476 5.173 1.00 0.00 S ATOM 0 H CYS A 37 10.949 5.912 4.543 1.00 0.00 H new ATOM 0 HA CYS A 37 11.415 8.284 3.055 1.00 0.00 H new ATOM 0 HB2 CYS A 37 11.922 7.172 5.588 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.538 7.316 4.928 1.00 0.00 H new ATOM 433 N THR A 38 13.637 5.963 2.464 1.00 0.00 N ATOM 434 CA THR A 38 14.750 5.633 1.528 1.00 0.00 C ATOM 435 C THR A 38 14.242 5.608 0.080 1.00 0.00 C ATOM 436 O THR A 38 15.014 5.571 -0.855 1.00 0.00 O ATOM 437 CB THR A 38 15.226 4.245 1.960 1.00 0.00 C ATOM 438 OG1 THR A 38 15.697 4.304 3.299 1.00 0.00 O ATOM 439 CG2 THR A 38 16.356 3.782 1.039 1.00 0.00 C ATOM 0 H THR A 38 13.341 5.199 3.072 1.00 0.00 H new ATOM 0 HA THR A 38 15.553 6.369 1.563 1.00 0.00 H new ATOM 0 HB THR A 38 14.397 3.540 1.897 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.001 3.415 3.578 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.695 2.793 1.347 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.993 3.737 0.012 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.187 4.485 1.100 1.00 0.00 H new ATOM 447 N ALA A 39 12.945 5.635 -0.112 1.00 0.00 N ATOM 448 CA ALA A 39 12.388 5.619 -1.497 1.00 0.00 C ATOM 449 C ALA A 39 12.883 4.392 -2.267 1.00 0.00 C ATOM 450 O ALA A 39 13.374 4.494 -3.372 1.00 0.00 O ATOM 451 CB ALA A 39 12.896 6.902 -2.151 1.00 0.00 C ATOM 0 H ALA A 39 12.249 5.667 0.633 1.00 0.00 H new ATOM 0 HA ALA A 39 11.299 5.567 -1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.526 6.960 -3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.539 7.764 -1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.986 6.899 -2.159 1.00 0.00 H new ATOM 457 N ARG A 40 12.746 3.232 -1.692 1.00 0.00 N ATOM 458 CA ARG A 40 13.193 1.993 -2.390 1.00 0.00 C ATOM 459 C ARG A 40 12.239 0.830 -2.082 1.00 0.00 C ATOM 460 O ARG A 40 12.677 -0.242 -1.718 1.00 0.00 O ATOM 461 CB ARG A 40 14.582 1.702 -1.825 1.00 0.00 C ATOM 462 CG ARG A 40 14.487 1.543 -0.305 1.00 0.00 C ATOM 463 CD ARG A 40 15.728 0.816 0.215 1.00 0.00 C ATOM 464 NE ARG A 40 15.543 0.747 1.692 1.00 0.00 N ATOM 465 CZ ARG A 40 15.693 -0.388 2.316 1.00 0.00 C ATOM 466 NH1 ARG A 40 16.866 -0.732 2.771 1.00 0.00 N ATOM 467 NH2 ARG A 40 14.670 -1.179 2.488 1.00 0.00 N ATOM 0 H ARG A 40 12.343 3.086 -0.766 1.00 0.00 H new ATOM 0 HA ARG A 40 13.205 2.115 -3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.986 0.794 -2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.266 2.513 -2.075 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.402 2.521 0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.589 0.983 -0.044 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.813 -0.180 -0.219 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.639 1.355 -0.044 1.00 0.00 H new ATOM 0 HE ARG A 40 15.299 1.588 2.215 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.666 -0.113 2.639 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.983 -1.620 3.259 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.752 -0.910 2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.788 -2.067 2.976 1.00 0.00 H new ATOM 481 N PRO A 41 10.958 1.076 -2.234 1.00 0.00 N ATOM 482 CA PRO A 41 9.950 0.023 -1.958 1.00 0.00 C ATOM 483 C PRO A 41 9.934 -1.019 -3.081 1.00 0.00 C ATOM 484 O PRO A 41 9.224 -0.878 -4.057 1.00 0.00 O ATOM 485 CB PRO A 41 8.631 0.787 -1.926 1.00 0.00 C ATOM 486 CG PRO A 41 8.866 2.005 -2.761 1.00 0.00 C ATOM 487 CD PRO A 41 10.332 2.334 -2.665 1.00 0.00 C ATOM 0 HA PRO A 41 10.151 -0.522 -1.036 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.817 0.184 -2.328 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.355 1.055 -0.906 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.580 1.823 -3.797 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.260 2.838 -2.405 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.729 2.668 -3.624 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.514 3.135 -1.949 1.00 0.00 H new ATOM 495 N GLU A 42 10.697 -2.069 -2.949 1.00 0.00 N ATOM 496 CA GLU A 42 10.702 -3.119 -4.009 1.00 0.00 C ATOM 497 C GLU A 42 9.269 -3.596 -4.266 1.00 0.00 C ATOM 498 O GLU A 42 8.945 -4.089 -5.328 1.00 0.00 O ATOM 499 CB GLU A 42 11.558 -4.254 -3.445 1.00 0.00 C ATOM 500 CG GLU A 42 11.516 -5.451 -4.400 1.00 0.00 C ATOM 501 CD GLU A 42 12.932 -5.782 -4.868 1.00 0.00 C ATOM 502 OE1 GLU A 42 13.755 -6.104 -4.027 1.00 0.00 O ATOM 503 OE2 GLU A 42 13.173 -5.708 -6.062 1.00 0.00 O ATOM 0 H GLU A 42 11.315 -2.246 -2.157 1.00 0.00 H new ATOM 0 HA GLU A 42 11.096 -2.755 -4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.586 -3.917 -3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.190 -4.547 -2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.077 -6.314 -3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.883 -5.223 -5.257 1.00 0.00 H new ATOM 510 N ARG A 43 8.411 -3.445 -3.295 1.00 0.00 N ATOM 511 CA ARG A 43 6.995 -3.876 -3.461 1.00 0.00 C ATOM 512 C ARG A 43 6.133 -3.248 -2.361 1.00 0.00 C ATOM 513 O ARG A 43 5.932 -3.843 -1.321 1.00 0.00 O ATOM 514 CB ARG A 43 7.022 -5.398 -3.323 1.00 0.00 C ATOM 515 CG ARG A 43 6.421 -6.037 -4.577 1.00 0.00 C ATOM 516 CD ARG A 43 4.915 -5.767 -4.618 1.00 0.00 C ATOM 517 NE ARG A 43 4.431 -6.463 -5.842 1.00 0.00 N ATOM 518 CZ ARG A 43 3.159 -6.474 -6.128 1.00 0.00 C ATOM 519 NH1 ARG A 43 2.296 -6.901 -5.247 1.00 0.00 N ATOM 520 NH2 ARG A 43 2.748 -6.059 -7.296 1.00 0.00 N ATOM 0 H ARG A 43 8.633 -3.038 -2.386 1.00 0.00 H new ATOM 0 HA ARG A 43 6.573 -3.568 -4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.046 -5.743 -3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.459 -5.704 -2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.898 -5.631 -5.469 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.609 -7.111 -4.576 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.421 -6.150 -3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.707 -4.698 -4.664 1.00 0.00 H new ATOM 0 HE ARG A 43 5.095 -6.932 -6.458 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.617 -7.226 -4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.301 -6.910 -5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.422 -5.726 -7.985 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.753 -6.068 -7.519 1.00 0.00 H new ATOM 534 N PRO A 44 5.655 -2.054 -2.618 1.00 0.00 N ATOM 535 CA PRO A 44 4.816 -1.338 -1.623 1.00 0.00 C ATOM 536 C PRO A 44 3.463 -2.034 -1.456 1.00 0.00 C ATOM 537 O PRO A 44 2.928 -2.114 -0.366 1.00 0.00 O ATOM 538 CB PRO A 44 4.647 0.053 -2.230 1.00 0.00 C ATOM 539 CG PRO A 44 4.846 -0.144 -3.696 1.00 0.00 C ATOM 540 CD PRO A 44 5.838 -1.266 -3.846 1.00 0.00 C ATOM 0 HA PRO A 44 5.262 -1.311 -0.629 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.659 0.461 -2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.376 0.754 -1.822 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.904 -0.391 -4.186 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.218 0.768 -4.163 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.639 -1.861 -4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.858 -0.891 -3.934 1.00 0.00 H new ATOM 548 N MET A 45 2.907 -2.542 -2.519 1.00 0.00 N ATOM 549 CA MET A 45 1.591 -3.235 -2.408 1.00 0.00 C ATOM 550 C MET A 45 1.666 -4.336 -1.346 1.00 0.00 C ATOM 551 O MET A 45 0.787 -4.479 -0.522 1.00 0.00 O ATOM 552 CB MET A 45 1.342 -3.837 -3.792 1.00 0.00 C ATOM 553 CG MET A 45 0.473 -2.885 -4.613 1.00 0.00 C ATOM 554 SD MET A 45 1.465 -2.138 -5.933 1.00 0.00 S ATOM 555 CE MET A 45 0.195 -2.183 -7.222 1.00 0.00 C ATOM 0 H MET A 45 3.304 -2.508 -3.458 1.00 0.00 H new ATOM 0 HA MET A 45 0.789 -2.559 -2.110 1.00 0.00 H new ATOM 0 HB2 MET A 45 2.290 -4.011 -4.301 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.850 -4.805 -3.696 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.371 -3.425 -5.041 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.061 -2.107 -3.970 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.597 -1.762 -8.144 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.109 -3.215 -7.397 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.668 -1.599 -6.903 1.00 0.00 H new ATOM 565 N ALA A 46 2.712 -5.116 -1.363 1.00 0.00 N ATOM 566 CA ALA A 46 2.847 -6.207 -0.356 1.00 0.00 C ATOM 567 C ALA A 46 3.589 -5.698 0.884 1.00 0.00 C ATOM 568 O ALA A 46 3.500 -6.273 1.951 1.00 0.00 O ATOM 569 CB ALA A 46 3.662 -7.293 -1.060 1.00 0.00 C ATOM 0 H ALA A 46 3.480 -5.045 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 46 1.880 -6.576 -0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.807 -8.135 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.129 -7.629 -1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.632 -6.890 -1.350 1.00 0.00 H new ATOM 575 N PHE A 47 4.327 -4.629 0.752 1.00 0.00 N ATOM 576 CA PHE A 47 5.075 -4.088 1.923 1.00 0.00 C ATOM 577 C PHE A 47 4.134 -3.883 3.113 1.00 0.00 C ATOM 578 O PHE A 47 4.382 -4.362 4.200 1.00 0.00 O ATOM 579 CB PHE A 47 5.641 -2.749 1.453 1.00 0.00 C ATOM 580 CG PHE A 47 6.421 -2.108 2.578 1.00 0.00 C ATOM 581 CD1 PHE A 47 7.542 -2.770 3.125 1.00 0.00 C ATOM 582 CD2 PHE A 47 6.029 -0.848 3.080 1.00 0.00 C ATOM 583 CE1 PHE A 47 8.271 -2.172 4.177 1.00 0.00 C ATOM 584 CE2 PHE A 47 6.759 -0.249 4.132 1.00 0.00 C ATOM 585 CZ PHE A 47 7.881 -0.911 4.680 1.00 0.00 C ATOM 0 H PHE A 47 4.444 -4.107 -0.116 1.00 0.00 H new ATOM 0 HA PHE A 47 5.859 -4.769 2.255 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.287 -2.899 0.588 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.832 -2.091 1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.842 -3.733 2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.172 -0.342 2.661 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.127 -2.679 4.597 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.459 0.715 4.517 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.440 -0.453 5.483 1.00 0.00 H new ATOM 595 N LEU A 48 3.056 -3.175 2.917 1.00 0.00 N ATOM 596 CA LEU A 48 2.103 -2.940 4.041 1.00 0.00 C ATOM 597 C LEU A 48 1.695 -4.271 4.680 1.00 0.00 C ATOM 598 O LEU A 48 1.606 -4.390 5.887 1.00 0.00 O ATOM 599 CB LEU A 48 0.894 -2.260 3.399 1.00 0.00 C ATOM 600 CG LEU A 48 0.056 -1.580 4.482 1.00 0.00 C ATOM 601 CD1 LEU A 48 0.411 -0.093 4.547 1.00 0.00 C ATOM 602 CD2 LEU A 48 -1.430 -1.735 4.151 1.00 0.00 C ATOM 0 H LEU A 48 2.793 -2.749 2.028 1.00 0.00 H new ATOM 0 HA LEU A 48 2.541 -2.332 4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.224 -1.525 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.291 -2.995 2.866 1.00 0.00 H new ATOM 0 HG LEU A 48 0.265 -2.045 5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.187 0.390 5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.469 0.018 4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.204 0.373 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.027 -1.250 4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.638 -1.271 3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.684 -2.794 4.107 1.00 0.00 H new ATOM 614 N ARG A 49 1.447 -5.273 3.882 1.00 0.00 N ATOM 615 CA ARG A 49 1.046 -6.593 4.447 1.00 0.00 C ATOM 616 C ARG A 49 2.116 -7.099 5.419 1.00 0.00 C ATOM 617 O ARG A 49 1.848 -7.348 6.579 1.00 0.00 O ATOM 618 CB ARG A 49 0.936 -7.523 3.238 1.00 0.00 C ATOM 619 CG ARG A 49 0.502 -8.915 3.702 1.00 0.00 C ATOM 620 CD ARG A 49 0.832 -9.941 2.616 1.00 0.00 C ATOM 621 NE ARG A 49 1.361 -11.122 3.352 1.00 0.00 N ATOM 622 CZ ARG A 49 2.154 -11.963 2.749 1.00 0.00 C ATOM 623 NH1 ARG A 49 1.655 -12.967 2.080 1.00 0.00 N ATOM 624 NH2 ARG A 49 3.449 -11.802 2.816 1.00 0.00 N ATOM 0 H ARG A 49 1.505 -5.235 2.864 1.00 0.00 H new ATOM 0 HA ARG A 49 0.111 -6.538 5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.215 -7.125 2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.895 -7.582 2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.011 -9.176 4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.568 -8.923 3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.054 -10.201 2.036 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.569 -9.550 1.914 1.00 0.00 H new ATOM 0 HE ARG A 49 1.103 -11.273 4.327 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.644 -13.094 2.029 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.276 -13.625 1.608 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.839 -11.019 3.340 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.070 -12.460 2.344 1.00 0.00 H new ATOM 638 N GLU A 50 3.326 -7.252 4.956 1.00 0.00 N ATOM 639 CA GLU A 50 4.415 -7.741 5.851 1.00 0.00 C ATOM 640 C GLU A 50 4.898 -6.618 6.777 1.00 0.00 C ATOM 641 O GLU A 50 5.598 -6.858 7.740 1.00 0.00 O ATOM 642 CB GLU A 50 5.535 -8.171 4.903 1.00 0.00 C ATOM 643 CG GLU A 50 6.370 -9.272 5.562 1.00 0.00 C ATOM 644 CD GLU A 50 7.241 -9.953 4.506 1.00 0.00 C ATOM 645 OE1 GLU A 50 6.741 -10.844 3.840 1.00 0.00 O ATOM 646 OE2 GLU A 50 8.393 -9.572 4.382 1.00 0.00 O ATOM 0 H GLU A 50 3.609 -7.059 3.995 1.00 0.00 H new ATOM 0 HA GLU A 50 4.083 -8.555 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.113 -8.533 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.167 -7.317 4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.996 -8.848 6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.716 -10.004 6.037 1.00 0.00 H new ATOM 653 N TYR A 51 4.533 -5.397 6.493 1.00 0.00 N ATOM 654 CA TYR A 51 4.979 -4.264 7.356 1.00 0.00 C ATOM 655 C TYR A 51 4.485 -4.464 8.795 1.00 0.00 C ATOM 656 O TYR A 51 5.268 -4.565 9.719 1.00 0.00 O ATOM 657 CB TYR A 51 4.343 -3.018 6.726 1.00 0.00 C ATOM 658 CG TYR A 51 4.528 -1.827 7.637 1.00 0.00 C ATOM 659 CD1 TYR A 51 3.610 -1.592 8.685 1.00 0.00 C ATOM 660 CD2 TYR A 51 5.618 -0.948 7.444 1.00 0.00 C ATOM 661 CE1 TYR A 51 3.780 -0.482 9.539 1.00 0.00 C ATOM 662 CE2 TYR A 51 5.790 0.164 8.298 1.00 0.00 C ATOM 663 CZ TYR A 51 4.870 0.398 9.346 1.00 0.00 C ATOM 664 OH TYR A 51 5.037 1.484 10.182 1.00 0.00 O ATOM 0 H TYR A 51 3.946 -5.134 5.701 1.00 0.00 H new ATOM 0 HA TYR A 51 6.065 -4.183 7.410 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.798 -2.818 5.756 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.281 -3.191 6.551 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.777 -2.263 8.833 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.320 -1.127 6.643 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.078 -0.304 10.340 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.623 0.835 8.151 1.00 0.00 H new ATOM 0 HH TYR A 51 4.163 1.881 10.381 1.00 0.00 H new ATOM 674 N PHE A 52 3.196 -4.507 8.993 1.00 0.00 N ATOM 675 CA PHE A 52 2.664 -4.685 10.377 1.00 0.00 C ATOM 676 C PHE A 52 2.605 -6.169 10.749 1.00 0.00 C ATOM 677 O PHE A 52 2.653 -6.526 11.909 1.00 0.00 O ATOM 678 CB PHE A 52 1.260 -4.082 10.342 1.00 0.00 C ATOM 679 CG PHE A 52 1.035 -3.261 11.587 1.00 0.00 C ATOM 680 CD1 PHE A 52 0.671 -3.894 12.795 1.00 0.00 C ATOM 681 CD2 PHE A 52 1.191 -1.856 11.543 1.00 0.00 C ATOM 682 CE1 PHE A 52 0.461 -3.125 13.960 1.00 0.00 C ATOM 683 CE2 PHE A 52 0.981 -1.086 12.709 1.00 0.00 C ATOM 684 CZ PHE A 52 0.617 -1.722 13.917 1.00 0.00 C ATOM 0 H PHE A 52 2.490 -4.427 8.261 1.00 0.00 H new ATOM 0 HA PHE A 52 3.298 -4.205 11.122 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.142 -3.458 9.456 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.514 -4.874 10.276 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.553 -4.967 12.828 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.470 -1.372 10.619 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.181 -3.609 14.884 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.099 -0.013 12.677 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.458 -1.134 14.809 1.00 0.00 H new ATOM 694 N GLU A 53 2.502 -7.036 9.779 1.00 0.00 N ATOM 695 CA GLU A 53 2.440 -8.493 10.092 1.00 0.00 C ATOM 696 C GLU A 53 3.612 -8.893 10.993 1.00 0.00 C ATOM 697 O GLU A 53 3.438 -9.543 12.004 1.00 0.00 O ATOM 698 CB GLU A 53 2.543 -9.198 8.741 1.00 0.00 C ATOM 699 CG GLU A 53 2.559 -10.713 8.958 1.00 0.00 C ATOM 700 CD GLU A 53 1.817 -11.405 7.812 1.00 0.00 C ATOM 701 OE1 GLU A 53 0.956 -10.775 7.223 1.00 0.00 O ATOM 702 OE2 GLU A 53 2.122 -12.555 7.546 1.00 0.00 O ATOM 0 H GLU A 53 2.458 -6.801 8.787 1.00 0.00 H new ATOM 0 HA GLU A 53 1.525 -8.759 10.622 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.701 -8.919 8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.449 -8.884 8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.587 -11.072 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.089 -10.959 9.910 1.00 0.00 H new ATOM 709 N LYS A 54 4.806 -8.505 10.636 1.00 0.00 N ATOM 710 CA LYS A 54 5.987 -8.862 11.471 1.00 0.00 C ATOM 711 C LYS A 54 6.153 -7.854 12.613 1.00 0.00 C ATOM 712 O LYS A 54 6.514 -8.207 13.717 1.00 0.00 O ATOM 713 CB LYS A 54 7.182 -8.794 10.518 1.00 0.00 C ATOM 714 CG LYS A 54 8.216 -9.846 10.919 1.00 0.00 C ATOM 715 CD LYS A 54 8.925 -10.369 9.669 1.00 0.00 C ATOM 716 CE LYS A 54 9.751 -9.244 9.042 1.00 0.00 C ATOM 717 NZ LYS A 54 10.385 -9.855 7.841 1.00 0.00 N ATOM 0 H LYS A 54 5.014 -7.956 9.802 1.00 0.00 H new ATOM 0 HA LYS A 54 5.886 -9.846 11.929 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.853 -8.965 9.493 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.628 -7.800 10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.942 -9.413 11.607 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.729 -10.668 11.444 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.571 -11.208 9.929 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.193 -10.741 8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.121 -8.397 8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.502 -8.871 9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.969 -9.144 7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.984 -10.654 8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.646 -10.195 7.193 1.00 0.00 H new ATOM 731 N LEU A 55 5.890 -6.601 12.355 1.00 0.00 N ATOM 732 CA LEU A 55 6.034 -5.575 13.429 1.00 0.00 C ATOM 733 C LEU A 55 5.087 -5.889 14.591 1.00 0.00 C ATOM 734 O LEU A 55 5.348 -5.545 15.727 1.00 0.00 O ATOM 735 CB LEU A 55 5.650 -4.250 12.767 1.00 0.00 C ATOM 736 CG LEU A 55 6.140 -3.087 13.633 1.00 0.00 C ATOM 737 CD1 LEU A 55 7.665 -3.006 13.564 1.00 0.00 C ATOM 738 CD2 LEU A 55 5.536 -1.778 13.119 1.00 0.00 C ATOM 0 H LEU A 55 5.583 -6.244 11.450 1.00 0.00 H new ATOM 0 HA LEU A 55 7.043 -5.547 13.840 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.090 -4.187 11.772 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.569 -4.194 12.641 1.00 0.00 H new ATOM 0 HG LEU A 55 5.832 -3.249 14.666 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.014 -2.178 14.181 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.096 -3.938 13.931 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.974 -2.845 12.531 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.885 -0.950 13.736 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.844 -1.616 12.086 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.449 -1.835 13.169 1.00 0.00 H new ATOM 750 N GLU A 56 3.991 -6.540 14.313 1.00 0.00 N ATOM 751 CA GLU A 56 3.029 -6.877 15.402 1.00 0.00 C ATOM 752 C GLU A 56 3.699 -7.782 16.437 1.00 0.00 C ATOM 753 O GLU A 56 3.713 -7.491 17.617 1.00 0.00 O ATOM 754 CB GLU A 56 1.885 -7.613 14.704 1.00 0.00 C ATOM 755 CG GLU A 56 0.685 -7.704 15.649 1.00 0.00 C ATOM 756 CD GLU A 56 -0.378 -8.619 15.039 1.00 0.00 C ATOM 757 OE1 GLU A 56 -0.823 -8.327 13.940 1.00 0.00 O ATOM 758 OE2 GLU A 56 -0.731 -9.596 15.679 1.00 0.00 O ATOM 0 H GLU A 56 3.720 -6.853 13.381 1.00 0.00 H new ATOM 0 HA GLU A 56 2.679 -5.992 15.934 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.604 -7.088 13.791 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.207 -8.612 14.410 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.000 -8.091 16.618 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.269 -6.711 15.822 1.00 0.00 H new ATOM 765 N LYS A 57 4.256 -8.877 16.002 1.00 0.00 N ATOM 766 CA LYS A 57 4.927 -9.805 16.958 1.00 0.00 C ATOM 767 C LYS A 57 6.300 -9.250 17.352 1.00 0.00 C ATOM 768 O LYS A 57 7.318 -9.876 17.136 1.00 0.00 O ATOM 769 CB LYS A 57 5.077 -11.120 16.193 1.00 0.00 C ATOM 770 CG LYS A 57 4.967 -12.293 17.168 1.00 0.00 C ATOM 771 CD LYS A 57 6.332 -12.968 17.311 1.00 0.00 C ATOM 772 CE LYS A 57 6.540 -13.949 16.155 1.00 0.00 C ATOM 773 NZ LYS A 57 7.990 -14.287 16.195 1.00 0.00 N ATOM 0 H LYS A 57 4.276 -9.171 15.025 1.00 0.00 H new ATOM 0 HA LYS A 57 4.360 -9.934 17.880 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.306 -11.197 15.426 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.039 -11.148 15.681 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.620 -11.941 18.139 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.230 -13.011 16.808 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.122 -12.217 17.312 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.391 -13.494 18.264 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.923 -14.839 16.277 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.265 -13.499 15.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.212 -14.957 15.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.552 -13.421 16.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.220 -14.720 17.112 1.00 0.00 H new ATOM 787 N GLU A 58 6.333 -8.079 17.927 1.00 0.00 N ATOM 788 CA GLU A 58 7.639 -7.485 18.333 1.00 0.00 C ATOM 789 C GLU A 58 8.013 -7.937 19.748 1.00 0.00 C ATOM 790 O GLU A 58 8.347 -7.134 20.597 1.00 0.00 O ATOM 791 CB GLU A 58 7.416 -5.971 18.296 1.00 0.00 C ATOM 792 CG GLU A 58 6.275 -5.596 19.243 1.00 0.00 C ATOM 793 CD GLU A 58 6.494 -4.179 19.775 1.00 0.00 C ATOM 794 OE1 GLU A 58 7.431 -3.991 20.534 1.00 0.00 O ATOM 795 OE2 GLU A 58 5.723 -3.307 19.413 1.00 0.00 O ATOM 0 H GLU A 58 5.513 -7.508 18.133 1.00 0.00 H new ATOM 0 HA GLU A 58 8.452 -7.794 17.677 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.329 -5.452 18.587 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.179 -5.653 17.281 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.321 -5.655 18.720 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.229 -6.303 20.071 1.00 0.00 H new ATOM 922 N CYS B 16 13.523 14.100 3.220 1.00 0.00 N ATOM 923 CA CYS B 16 13.359 12.631 3.016 1.00 0.00 C ATOM 924 C CYS B 16 11.877 12.288 2.845 1.00 0.00 C ATOM 925 O CYS B 16 11.520 11.367 2.139 1.00 0.00 O ATOM 926 CB CYS B 16 13.916 11.991 4.287 1.00 0.00 C ATOM 927 SG CYS B 16 14.021 10.200 4.064 1.00 0.00 S ATOM 0 HA CYS B 16 13.873 12.275 2.123 1.00 0.00 H new ATOM 0 HB2 CYS B 16 14.902 12.399 4.510 1.00 0.00 H new ATOM 0 HB3 CYS B 16 13.274 12.225 5.136 1.00 0.00 H new ATOM 932 N GLU B 17 11.012 13.027 3.487 1.00 0.00 N ATOM 933 CA GLU B 17 9.553 12.746 3.362 1.00 0.00 C ATOM 934 C GLU B 17 9.009 13.297 2.037 1.00 0.00 C ATOM 935 O GLU B 17 7.836 13.177 1.744 1.00 0.00 O ATOM 936 CB GLU B 17 8.912 13.472 4.545 1.00 0.00 C ATOM 937 CG GLU B 17 7.493 12.942 4.763 1.00 0.00 C ATOM 938 CD GLU B 17 7.546 11.686 5.636 1.00 0.00 C ATOM 939 OE1 GLU B 17 8.369 10.831 5.358 1.00 0.00 O ATOM 940 OE2 GLU B 17 6.760 11.604 6.566 1.00 0.00 O ATOM 0 H GLU B 17 11.253 13.812 4.092 1.00 0.00 H new ATOM 0 HA GLU B 17 9.339 11.677 3.368 1.00 0.00 H new ATOM 0 HB2 GLU B 17 9.510 13.322 5.444 1.00 0.00 H new ATOM 0 HB3 GLU B 17 8.885 14.545 4.355 1.00 0.00 H new ATOM 0 HG2 GLU B 17 6.878 13.704 5.241 1.00 0.00 H new ATOM 0 HG3 GLU B 17 7.028 12.712 3.804 1.00 0.00 H new ATOM 947 N LEU B 18 9.847 13.899 1.233 1.00 0.00 N ATOM 948 CA LEU B 18 9.366 14.450 -0.066 1.00 0.00 C ATOM 949 C LEU B 18 8.976 13.315 -1.016 1.00 0.00 C ATOM 950 O LEU B 18 8.277 13.522 -1.989 1.00 0.00 O ATOM 951 CB LEU B 18 10.555 15.230 -0.625 1.00 0.00 C ATOM 952 CG LEU B 18 10.062 16.248 -1.655 1.00 0.00 C ATOM 953 CD1 LEU B 18 10.809 17.569 -1.465 1.00 0.00 C ATOM 954 CD2 LEU B 18 10.324 15.713 -3.064 1.00 0.00 C ATOM 0 H LEU B 18 10.841 14.032 1.420 1.00 0.00 H new ATOM 0 HA LEU B 18 8.483 15.077 0.054 1.00 0.00 H new ATOM 0 HB2 LEU B 18 11.080 15.740 0.182 1.00 0.00 H new ATOM 0 HB3 LEU B 18 11.267 14.546 -1.087 1.00 0.00 H new ATOM 0 HG LEU B 18 8.993 16.413 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU B 18 10.458 18.294 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU B 18 10.624 17.950 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU B 18 11.878 17.405 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU B 18 9.973 16.437 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU B 18 11.393 15.549 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU B 18 9.792 14.771 -3.200 1.00 0.00 H new ATOM 966 N TYR B 19 9.421 12.118 -0.748 1.00 0.00 N ATOM 967 CA TYR B 19 9.076 10.976 -1.643 1.00 0.00 C ATOM 968 C TYR B 19 7.770 10.317 -1.189 1.00 0.00 C ATOM 969 O TYR B 19 6.935 9.962 -1.996 1.00 0.00 O ATOM 970 CB TYR B 19 10.244 9.996 -1.505 1.00 0.00 C ATOM 971 CG TYR B 19 9.945 8.739 -2.288 1.00 0.00 C ATOM 972 CD1 TYR B 19 10.201 8.696 -3.678 1.00 0.00 C ATOM 973 CD2 TYR B 19 9.407 7.608 -1.633 1.00 0.00 C ATOM 974 CE1 TYR B 19 9.918 7.522 -4.411 1.00 0.00 C ATOM 975 CE2 TYR B 19 9.123 6.436 -2.368 1.00 0.00 C ATOM 976 CZ TYR B 19 9.379 6.392 -3.757 1.00 0.00 C ATOM 977 OH TYR B 19 9.103 5.247 -4.474 1.00 0.00 O ATOM 0 H TYR B 19 10.008 11.881 0.052 1.00 0.00 H new ATOM 0 HA TYR B 19 8.928 11.295 -2.675 1.00 0.00 H new ATOM 0 HB2 TYR B 19 11.162 10.455 -1.871 1.00 0.00 H new ATOM 0 HB3 TYR B 19 10.406 9.753 -0.455 1.00 0.00 H new ATOM 0 HD1 TYR B 19 10.612 9.560 -4.179 1.00 0.00 H new ATOM 0 HD2 TYR B 19 9.213 7.640 -0.571 1.00 0.00 H new ATOM 0 HE1 TYR B 19 10.114 7.488 -5.473 1.00 0.00 H new ATOM 0 HE2 TYR B 19 8.710 5.573 -1.868 1.00 0.00 H new ATOM 0 HH TYR B 19 8.738 4.564 -3.873 1.00 0.00 H new ATOM 987 N VAL B 20 7.595 10.142 0.088 1.00 0.00 N ATOM 988 CA VAL B 20 6.349 9.494 0.585 1.00 0.00 C ATOM 989 C VAL B 20 5.216 10.515 0.702 1.00 0.00 C ATOM 990 O VAL B 20 4.573 10.629 1.727 1.00 0.00 O ATOM 991 CB VAL B 20 6.714 8.934 1.960 1.00 0.00 C ATOM 992 CG1 VAL B 20 7.830 7.898 1.810 1.00 0.00 C ATOM 993 CG2 VAL B 20 7.192 10.072 2.864 1.00 0.00 C ATOM 0 H VAL B 20 8.259 10.419 0.811 1.00 0.00 H new ATOM 0 HA VAL B 20 5.996 8.717 -0.093 1.00 0.00 H new ATOM 0 HB VAL B 20 5.838 8.461 2.404 1.00 0.00 H new ATOM 0 HG11 VAL B 20 8.090 7.499 2.790 1.00 0.00 H new ATOM 0 HG12 VAL B 20 7.489 7.087 1.167 1.00 0.00 H new ATOM 0 HG13 VAL B 20 8.707 8.369 1.366 1.00 0.00 H new ATOM 0 HG21 VAL B 20 7.452 9.673 3.844 1.00 0.00 H new ATOM 0 HG22 VAL B 20 8.068 10.545 2.421 1.00 0.00 H new ATOM 0 HG23 VAL B 20 6.397 10.810 2.972 1.00 0.00 H new ATOM 1003 N GLN B 21 4.959 11.253 -0.342 1.00 0.00 N ATOM 1004 CA GLN B 21 3.861 12.257 -0.291 1.00 0.00 C ATOM 1005 C GLN B 21 2.546 11.613 -0.759 1.00 0.00 C ATOM 1006 O GLN B 21 2.198 10.530 -0.330 1.00 0.00 O ATOM 1007 CB GLN B 21 4.315 13.372 -1.238 1.00 0.00 C ATOM 1008 CG GLN B 21 3.619 14.680 -0.858 1.00 0.00 C ATOM 1009 CD GLN B 21 3.771 15.689 -1.996 1.00 0.00 C ATOM 1010 OE1 GLN B 21 4.467 16.676 -1.861 1.00 0.00 O ATOM 1011 NE2 GLN B 21 3.144 15.482 -3.123 1.00 0.00 N ATOM 0 H GLN B 21 5.462 11.204 -1.228 1.00 0.00 H new ATOM 0 HA GLN B 21 3.674 12.640 0.712 1.00 0.00 H new ATOM 0 HB2 GLN B 21 5.397 13.494 -1.181 1.00 0.00 H new ATOM 0 HB3 GLN B 21 4.078 13.107 -2.268 1.00 0.00 H new ATOM 0 HG2 GLN B 21 2.563 14.498 -0.658 1.00 0.00 H new ATOM 0 HG3 GLN B 21 4.052 15.082 0.058 1.00 0.00 H new ATOM 0 HE21 GLN B 21 2.560 14.654 -3.237 1.00 0.00 H new ATOM 0 HE22 GLN B 21 3.239 16.149 -3.889 1.00 0.00 H new ATOM 1020 N LYS B 22 1.810 12.252 -1.636 1.00 0.00 N ATOM 1021 CA LYS B 22 0.533 11.645 -2.115 1.00 0.00 C ATOM 1022 C LYS B 22 0.791 10.784 -3.355 1.00 0.00 C ATOM 1023 O LYS B 22 -0.084 10.573 -4.171 1.00 0.00 O ATOM 1024 CB LYS B 22 -0.361 12.836 -2.470 1.00 0.00 C ATOM 1025 CG LYS B 22 -0.653 13.653 -1.210 1.00 0.00 C ATOM 1026 CD LYS B 22 -2.156 13.920 -1.110 1.00 0.00 C ATOM 1027 CE LYS B 22 -2.586 14.861 -2.237 1.00 0.00 C ATOM 1028 NZ LYS B 22 -3.555 15.802 -1.607 1.00 0.00 N ATOM 0 H LYS B 22 2.038 13.162 -2.037 1.00 0.00 H new ATOM 0 HA LYS B 22 0.076 10.998 -1.366 1.00 0.00 H new ATOM 0 HB2 LYS B 22 0.129 13.462 -3.216 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -1.293 12.485 -2.912 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -0.309 13.114 -0.327 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -0.107 14.596 -1.241 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -2.707 12.982 -1.175 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -2.393 14.362 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -1.731 15.395 -2.653 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -3.047 14.310 -3.057 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -3.895 16.479 -2.320 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -4.361 15.267 -1.226 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -3.086 16.318 -0.835 1.00 0.00 H new ATOM 1042 N HIS B 23 1.991 10.288 -3.508 1.00 0.00 N ATOM 1043 CA HIS B 23 2.311 9.446 -4.698 1.00 0.00 C ATOM 1044 C HIS B 23 2.863 8.082 -4.269 1.00 0.00 C ATOM 1045 O HIS B 23 3.017 7.187 -5.078 1.00 0.00 O ATOM 1046 CB HIS B 23 3.382 10.236 -5.446 1.00 0.00 C ATOM 1047 CG HIS B 23 2.787 11.514 -5.970 1.00 0.00 C ATOM 1048 ND1 HIS B 23 3.276 12.759 -5.610 1.00 0.00 N ATOM 1049 CD2 HIS B 23 1.739 11.756 -6.826 1.00 0.00 C ATOM 1050 CE1 HIS B 23 2.533 13.685 -6.242 1.00 0.00 C ATOM 1051 NE2 HIS B 23 1.582 13.129 -6.996 1.00 0.00 N ATOM 0 H HIS B 23 2.765 10.430 -2.859 1.00 0.00 H new ATOM 0 HA HIS B 23 1.430 9.247 -5.308 1.00 0.00 H new ATOM 0 HB2 HIS B 23 4.217 10.457 -4.781 1.00 0.00 H new ATOM 0 HB3 HIS B 23 3.778 9.642 -6.270 1.00 0.00 H new ATOM 0 HD2 HIS B 23 1.130 10.997 -7.295 1.00 0.00 H new ATOM 0 HE1 HIS B 23 2.687 14.750 -6.151 1.00 0.00 H new ATOM 0 HE2 HIS B 23 0.890 13.607 -7.572 1.00 0.00 H new ATOM 1059 N ASN B 24 3.180 7.914 -3.012 1.00 0.00 N ATOM 1060 CA ASN B 24 3.735 6.607 -2.559 1.00 0.00 C ATOM 1061 C ASN B 24 2.766 5.915 -1.592 1.00 0.00 C ATOM 1062 O ASN B 24 2.155 4.920 -1.922 1.00 0.00 O ATOM 1063 CB ASN B 24 5.051 6.969 -1.863 1.00 0.00 C ATOM 1064 CG ASN B 24 5.829 5.697 -1.503 1.00 0.00 C ATOM 1065 OD1 ASN B 24 6.449 5.630 -0.462 1.00 0.00 O ATOM 1066 ND2 ASN B 24 5.833 4.684 -2.328 1.00 0.00 N ATOM 0 H ASN B 24 3.079 8.621 -2.284 1.00 0.00 H new ATOM 0 HA ASN B 24 3.888 5.909 -3.382 1.00 0.00 H new ATOM 0 HB2 ASN B 24 5.654 7.600 -2.516 1.00 0.00 H new ATOM 0 HB3 ASN B 24 4.847 7.546 -0.961 1.00 0.00 H new ATOM 0 HD21 ASN B 24 6.356 3.840 -2.096 1.00 0.00 H new ATOM 0 HD22 ASN B 24 5.313 4.737 -3.204 1.00 0.00 H new ATOM 1073 N ILE B 25 2.623 6.432 -0.401 1.00 0.00 N ATOM 1074 CA ILE B 25 1.692 5.797 0.579 1.00 0.00 C ATOM 1075 C ILE B 25 0.246 6.251 0.317 1.00 0.00 C ATOM 1076 O ILE B 25 -0.680 5.780 0.946 1.00 0.00 O ATOM 1077 CB ILE B 25 2.190 6.274 1.956 1.00 0.00 C ATOM 1078 CG1 ILE B 25 3.428 5.467 2.355 1.00 0.00 C ATOM 1079 CG2 ILE B 25 1.106 6.069 3.021 1.00 0.00 C ATOM 1080 CD1 ILE B 25 4.605 5.857 1.464 1.00 0.00 C ATOM 0 H ILE B 25 3.108 7.264 -0.064 1.00 0.00 H new ATOM 0 HA ILE B 25 1.685 4.709 0.508 1.00 0.00 H new ATOM 0 HB ILE B 25 2.432 7.335 1.889 1.00 0.00 H new ATOM 0 HG12 ILE B 25 3.674 5.653 3.401 1.00 0.00 H new ATOM 0 HG13 ILE B 25 3.225 4.400 2.260 1.00 0.00 H new ATOM 0 HG21 ILE B 25 1.476 6.412 3.987 1.00 0.00 H new ATOM 0 HG22 ILE B 25 0.217 6.639 2.750 1.00 0.00 H new ATOM 0 HG23 ILE B 25 0.853 5.011 3.084 1.00 0.00 H new ATOM 0 HD11 ILE B 25 5.485 5.281 1.751 1.00 0.00 H new ATOM 0 HD12 ILE B 25 4.358 5.649 0.423 1.00 0.00 H new ATOM 0 HD13 ILE B 25 4.814 6.920 1.582 1.00 0.00 H new ATOM 1092 N GLN B 26 0.038 7.158 -0.602 1.00 0.00 N ATOM 1093 CA GLN B 26 -1.351 7.623 -0.883 1.00 0.00 C ATOM 1094 C GLN B 26 -2.232 6.446 -1.309 1.00 0.00 C ATOM 1095 O GLN B 26 -3.284 6.211 -0.748 1.00 0.00 O ATOM 1096 CB GLN B 26 -1.208 8.629 -2.025 1.00 0.00 C ATOM 1097 CG GLN B 26 -2.103 9.840 -1.750 1.00 0.00 C ATOM 1098 CD GLN B 26 -3.561 9.470 -2.032 1.00 0.00 C ATOM 1099 OE1 GLN B 26 -3.863 8.334 -2.334 1.00 0.00 O ATOM 1100 NE2 GLN B 26 -4.481 10.392 -1.943 1.00 0.00 N ATOM 0 H GLN B 26 0.767 7.594 -1.167 1.00 0.00 H new ATOM 0 HA GLN B 26 -1.822 8.066 -0.006 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -0.169 8.945 -2.119 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -1.486 8.164 -2.971 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -1.992 10.160 -0.714 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -1.801 10.679 -2.377 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -4.224 11.346 -1.689 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -5.457 10.158 -2.127 1.00 0.00 H new ATOM 1109 N ALA B 27 -1.816 5.706 -2.301 1.00 0.00 N ATOM 1110 CA ALA B 27 -2.635 4.546 -2.764 1.00 0.00 C ATOM 1111 C ALA B 27 -2.995 3.641 -1.581 1.00 0.00 C ATOM 1112 O ALA B 27 -4.014 2.981 -1.580 1.00 0.00 O ATOM 1113 CB ALA B 27 -1.743 3.801 -3.757 1.00 0.00 C ATOM 0 H ALA B 27 -0.945 5.853 -2.811 1.00 0.00 H new ATOM 0 HA ALA B 27 -3.575 4.862 -3.217 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -2.276 2.932 -4.144 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -1.484 4.464 -4.582 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -0.833 3.475 -3.254 1.00 0.00 H new ATOM 1119 N LEU B 28 -2.163 3.604 -0.576 1.00 0.00 N ATOM 1120 CA LEU B 28 -2.459 2.741 0.604 1.00 0.00 C ATOM 1121 C LEU B 28 -3.319 3.502 1.618 1.00 0.00 C ATOM 1122 O LEU B 28 -4.245 2.963 2.190 1.00 0.00 O ATOM 1123 CB LEU B 28 -1.091 2.414 1.207 1.00 0.00 C ATOM 1124 CG LEU B 28 -0.264 1.614 0.200 1.00 0.00 C ATOM 1125 CD1 LEU B 28 0.843 2.503 -0.374 1.00 0.00 C ATOM 1126 CD2 LEU B 28 0.366 0.409 0.901 1.00 0.00 C ATOM 0 H LEU B 28 -1.293 4.133 -0.520 1.00 0.00 H new ATOM 0 HA LEU B 28 -3.012 1.843 0.328 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.570 3.334 1.472 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.215 1.842 2.127 1.00 0.00 H new ATOM 0 HG LEU B 28 -0.910 1.270 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.432 1.932 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU B 28 0.397 3.363 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU B 28 1.489 2.847 0.434 1.00 0.00 H new ATOM 0 HD21 LEU B 28 0.956 -0.162 0.184 1.00 0.00 H new ATOM 0 HD22 LEU B 28 1.012 0.754 1.708 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -0.420 -0.225 1.311 1.00 0.00 H new ATOM 1138 N LEU B 29 -3.013 4.750 1.847 1.00 0.00 N ATOM 1139 CA LEU B 29 -3.804 5.548 2.827 1.00 0.00 C ATOM 1140 C LEU B 29 -5.187 5.882 2.261 1.00 0.00 C ATOM 1141 O LEU B 29 -6.148 6.021 2.991 1.00 0.00 O ATOM 1142 CB LEU B 29 -2.993 6.827 3.033 1.00 0.00 C ATOM 1143 CG LEU B 29 -2.288 6.775 4.388 1.00 0.00 C ATOM 1144 CD1 LEU B 29 -3.331 6.697 5.504 1.00 0.00 C ATOM 1145 CD2 LEU B 29 -1.383 5.542 4.449 1.00 0.00 C ATOM 0 H LEU B 29 -2.248 5.252 1.397 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.969 5.006 3.758 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -2.260 6.937 2.234 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -3.648 7.697 2.986 1.00 0.00 H new ATOM 0 HG LEU B 29 -1.685 7.674 4.516 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.828 6.660 6.470 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -3.974 7.576 5.463 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -3.935 5.799 5.375 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -0.881 5.507 5.416 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -1.985 4.642 4.319 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -0.638 5.598 3.655 1.00 0.00 H new ATOM 1157 N LYS B 30 -5.290 6.014 0.967 1.00 0.00 N ATOM 1158 CA LYS B 30 -6.610 6.345 0.346 1.00 0.00 C ATOM 1159 C LYS B 30 -7.717 5.450 0.914 1.00 0.00 C ATOM 1160 O LYS B 30 -8.614 5.911 1.592 1.00 0.00 O ATOM 1161 CB LYS B 30 -6.423 6.077 -1.148 1.00 0.00 C ATOM 1162 CG LYS B 30 -7.169 7.140 -1.955 1.00 0.00 C ATOM 1163 CD LYS B 30 -7.930 6.469 -3.102 1.00 0.00 C ATOM 1164 CE LYS B 30 -8.460 7.541 -4.057 1.00 0.00 C ATOM 1165 NZ LYS B 30 -9.525 6.860 -4.845 1.00 0.00 N ATOM 0 H LYS B 30 -4.518 5.907 0.310 1.00 0.00 H new ATOM 0 HA LYS B 30 -6.907 7.374 0.547 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -5.363 6.091 -1.401 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -6.798 5.085 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -7.863 7.680 -1.311 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -6.465 7.872 -2.351 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -7.273 5.783 -3.637 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -8.756 5.877 -2.708 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -8.859 8.395 -3.510 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -7.669 7.918 -4.705 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -9.938 7.531 -5.524 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -9.115 6.055 -5.360 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -10.267 6.517 -4.202 1.00 0.00 H new ATOM 1179 N ASP B 31 -7.658 4.175 0.648 1.00 0.00 N ATOM 1180 CA ASP B 31 -8.705 3.258 1.179 1.00 0.00 C ATOM 1181 C ASP B 31 -8.560 3.117 2.697 1.00 0.00 C ATOM 1182 O ASP B 31 -9.505 2.802 3.393 1.00 0.00 O ATOM 1183 CB ASP B 31 -8.453 1.919 0.485 1.00 0.00 C ATOM 1184 CG ASP B 31 -9.521 1.691 -0.587 1.00 0.00 C ATOM 1185 OD1 ASP B 31 -10.643 2.127 -0.380 1.00 0.00 O ATOM 1186 OD2 ASP B 31 -9.200 1.084 -1.595 1.00 0.00 O ATOM 0 H ASP B 31 -6.932 3.729 0.087 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.713 3.627 0.990 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -7.461 1.913 0.033 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.476 1.109 1.214 1.00 0.00 H new ATOM 1191 N SER B 32 -7.384 3.350 3.215 1.00 0.00 N ATOM 1192 CA SER B 32 -7.183 3.231 4.688 1.00 0.00 C ATOM 1193 C SER B 32 -8.193 4.112 5.428 1.00 0.00 C ATOM 1194 O SER B 32 -9.064 3.624 6.122 1.00 0.00 O ATOM 1195 CB SER B 32 -5.756 3.715 4.936 1.00 0.00 C ATOM 1196 OG SER B 32 -5.309 3.239 6.197 1.00 0.00 O ATOM 0 H SER B 32 -6.556 3.617 2.683 1.00 0.00 H new ATOM 0 HA SER B 32 -7.330 2.212 5.046 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.096 3.357 4.145 1.00 0.00 H new ATOM 0 HB3 SER B 32 -5.720 4.804 4.913 1.00 0.00 H new ATOM 0 HG SER B 32 -4.393 3.547 6.357 1.00 0.00 H new ATOM 1202 N ILE B 33 -8.087 5.406 5.288 1.00 0.00 N ATOM 1203 CA ILE B 33 -9.046 6.310 5.985 1.00 0.00 C ATOM 1204 C ILE B 33 -10.488 5.962 5.594 1.00 0.00 C ATOM 1205 O ILE B 33 -11.385 5.994 6.412 1.00 0.00 O ATOM 1206 CB ILE B 33 -8.689 7.728 5.527 1.00 0.00 C ATOM 1207 CG1 ILE B 33 -8.637 7.802 3.995 1.00 0.00 C ATOM 1208 CG2 ILE B 33 -7.326 8.120 6.096 1.00 0.00 C ATOM 1209 CD1 ILE B 33 -9.933 8.422 3.469 1.00 0.00 C ATOM 0 H ILE B 33 -7.380 5.875 4.722 1.00 0.00 H new ATOM 0 HA ILE B 33 -8.978 6.212 7.068 1.00 0.00 H new ATOM 0 HB ILE B 33 -9.455 8.414 5.889 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -7.781 8.398 3.678 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -8.503 6.804 3.577 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -7.072 9.129 5.770 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -7.364 8.089 7.185 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -6.568 7.422 5.739 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -9.896 8.474 2.381 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -10.780 7.808 3.774 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -10.048 9.426 3.877 1.00 0.00 H new ATOM 1221 N VAL B 34 -10.718 5.631 4.353 1.00 0.00 N ATOM 1222 CA VAL B 34 -12.102 5.284 3.917 1.00 0.00 C ATOM 1223 C VAL B 34 -12.694 4.205 4.829 1.00 0.00 C ATOM 1224 O VAL B 34 -13.893 4.080 4.961 1.00 0.00 O ATOM 1225 CB VAL B 34 -11.948 4.756 2.489 1.00 0.00 C ATOM 1226 CG1 VAL B 34 -13.302 4.271 1.974 1.00 0.00 C ATOM 1227 CG2 VAL B 34 -11.435 5.878 1.585 1.00 0.00 C ATOM 0 H VAL B 34 -10.008 5.586 3.622 1.00 0.00 H new ATOM 0 HA VAL B 34 -12.775 6.140 3.965 1.00 0.00 H new ATOM 0 HB VAL B 34 -11.239 3.928 2.484 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -13.191 3.895 0.957 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -13.671 3.473 2.618 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -14.011 5.099 1.980 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -11.325 5.504 0.567 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -12.145 6.705 1.592 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -10.469 6.226 1.950 1.00 0.00 H new ATOM 1237 N GLN B 35 -11.858 3.424 5.462 1.00 0.00 N ATOM 1238 CA GLN B 35 -12.377 2.356 6.364 1.00 0.00 C ATOM 1239 C GLN B 35 -12.321 2.823 7.822 1.00 0.00 C ATOM 1240 O GLN B 35 -13.231 2.591 8.592 1.00 0.00 O ATOM 1241 CB GLN B 35 -11.443 1.165 6.148 1.00 0.00 C ATOM 1242 CG GLN B 35 -12.084 0.185 5.162 1.00 0.00 C ATOM 1243 CD GLN B 35 -12.612 -1.032 5.922 1.00 0.00 C ATOM 1244 OE1 GLN B 35 -13.627 -0.955 6.587 1.00 0.00 O ATOM 1245 NE2 GLN B 35 -11.962 -2.161 5.852 1.00 0.00 N ATOM 0 H GLN B 35 -10.842 3.480 5.393 1.00 0.00 H new ATOM 0 HA GLN B 35 -13.415 2.104 6.150 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -10.482 1.508 5.764 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -11.247 0.666 7.097 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -12.898 0.673 4.625 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -11.353 -0.128 4.417 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -11.111 -2.226 5.294 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -12.305 -2.979 6.355 1.00 0.00 H new ATOM 1254 N LEU B 36 -11.260 3.476 8.204 1.00 0.00 N ATOM 1255 CA LEU B 36 -11.146 3.956 9.610 1.00 0.00 C ATOM 1256 C LEU B 36 -12.051 5.171 9.841 1.00 0.00 C ATOM 1257 O LEU B 36 -12.300 5.565 10.963 1.00 0.00 O ATOM 1258 CB LEU B 36 -9.675 4.339 9.782 1.00 0.00 C ATOM 1259 CG LEU B 36 -8.802 3.091 9.614 1.00 0.00 C ATOM 1260 CD1 LEU B 36 -7.780 3.321 8.496 1.00 0.00 C ATOM 1261 CD2 LEU B 36 -8.067 2.802 10.924 1.00 0.00 C ATOM 0 H LEU B 36 -10.466 3.699 7.604 1.00 0.00 H new ATOM 0 HA LEU B 36 -11.456 3.196 10.327 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -9.396 5.094 9.047 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -9.515 4.779 10.766 1.00 0.00 H new ATOM 0 HG LEU B 36 -9.435 2.242 9.355 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -7.161 2.431 8.380 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -8.303 3.524 7.561 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -7.148 4.172 8.750 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.446 1.914 10.805 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -7.437 3.653 11.183 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -8.793 2.632 11.719 1.00 0.00 H new ATOM 1273 N CYS B 37 -12.551 5.772 8.791 1.00 0.00 N ATOM 1274 CA CYS B 37 -13.440 6.959 8.967 1.00 0.00 C ATOM 1275 C CYS B 37 -14.573 6.628 9.943 1.00 0.00 C ATOM 1276 O CYS B 37 -15.008 7.463 10.712 1.00 0.00 O ATOM 1277 CB CYS B 37 -13.998 7.253 7.574 1.00 0.00 C ATOM 1278 SG CYS B 37 -13.980 9.040 7.280 1.00 0.00 S ATOM 0 H CYS B 37 -12.383 5.493 7.824 1.00 0.00 H new ATOM 0 HA CYS B 37 -12.906 7.816 9.377 1.00 0.00 H new ATOM 0 HB2 CYS B 37 -13.402 6.743 6.817 1.00 0.00 H new ATOM 0 HB3 CYS B 37 -15.015 6.870 7.490 1.00 0.00 H new ATOM 1283 N THR B 38 -15.050 5.413 9.921 1.00 0.00 N ATOM 1284 CA THR B 38 -16.151 5.029 10.852 1.00 0.00 C ATOM 1285 C THR B 38 -15.637 4.992 12.297 1.00 0.00 C ATOM 1286 O THR B 38 -16.407 4.918 13.236 1.00 0.00 O ATOM 1287 CB THR B 38 -16.582 3.635 10.398 1.00 0.00 C ATOM 1288 OG1 THR B 38 -17.066 3.705 9.062 1.00 0.00 O ATOM 1289 CG2 THR B 38 -17.692 3.117 11.314 1.00 0.00 C ATOM 0 H THR B 38 -14.726 4.671 9.301 1.00 0.00 H new ATOM 0 HA THR B 38 -16.978 5.739 10.830 1.00 0.00 H new ATOM 0 HB THR B 38 -15.729 2.958 10.445 1.00 0.00 H new ATOM 0 HG1 THR B 38 -17.342 2.812 8.767 1.00 0.00 H new ATOM 0 HG21 THR B 38 -17.998 2.123 10.989 1.00 0.00 H new ATOM 0 HG22 THR B 38 -17.324 3.066 12.339 1.00 0.00 H new ATOM 0 HG23 THR B 38 -18.546 3.793 11.268 1.00 0.00 H new ATOM 1297 N ALA B 39 -14.344 5.047 12.487 1.00 0.00 N ATOM 1298 CA ALA B 39 -13.781 5.021 13.870 1.00 0.00 C ATOM 1299 C ALA B 39 -14.231 3.763 14.615 1.00 0.00 C ATOM 1300 O ALA B 39 -14.732 3.827 15.719 1.00 0.00 O ATOM 1301 CB ALA B 39 -14.331 6.272 14.550 1.00 0.00 C ATOM 0 H ALA B 39 -13.651 5.109 11.741 1.00 0.00 H new ATOM 0 HA ALA B 39 -12.691 5.006 13.863 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -13.960 6.323 15.574 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -14.006 7.157 14.002 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -15.420 6.231 14.560 1.00 0.00 H new ATOM 1307 N ARG B 40 -14.047 2.622 14.021 1.00 0.00 N ATOM 1308 CA ARG B 40 -14.452 1.353 14.693 1.00 0.00 C ATOM 1309 C ARG B 40 -13.464 0.228 14.354 1.00 0.00 C ATOM 1310 O ARG B 40 -13.872 -0.849 13.969 1.00 0.00 O ATOM 1311 CB ARG B 40 -15.835 1.034 14.128 1.00 0.00 C ATOM 1312 CG ARG B 40 -15.745 0.910 12.606 1.00 0.00 C ATOM 1313 CD ARG B 40 -16.970 0.159 12.080 1.00 0.00 C ATOM 1314 NE ARG B 40 -16.792 0.127 10.601 1.00 0.00 N ATOM 1315 CZ ARG B 40 -16.910 -1.001 9.954 1.00 0.00 C ATOM 1316 NH1 ARG B 40 -18.075 -1.373 9.501 1.00 0.00 N ATOM 1317 NH2 ARG B 40 -15.864 -1.754 9.759 1.00 0.00 N ATOM 0 H ARG B 40 -13.632 2.509 13.096 1.00 0.00 H new ATOM 0 HA ARG B 40 -14.462 1.448 15.779 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -16.211 0.106 14.558 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -16.541 1.819 14.399 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -15.690 1.900 12.153 1.00 0.00 H new ATOM 0 HG3 ARG B 40 -14.834 0.381 12.327 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -17.024 -0.848 12.494 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -17.894 0.667 12.356 1.00 0.00 H new ATOM 0 HE ARG B 40 -16.578 0.986 10.094 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -18.893 -0.783 9.652 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -18.168 -2.254 8.995 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -14.953 -1.462 10.112 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -15.957 -2.635 9.254 1.00 0.00 H new ATOM 1331 N PRO B 41 -12.190 0.512 14.502 1.00 0.00 N ATOM 1332 CA PRO B 41 -11.152 -0.504 14.198 1.00 0.00 C ATOM 1333 C PRO B 41 -11.096 -1.566 15.299 1.00 0.00 C ATOM 1334 O PRO B 41 -10.384 -1.424 16.273 1.00 0.00 O ATOM 1335 CB PRO B 41 -9.856 0.301 14.172 1.00 0.00 C ATOM 1336 CG PRO B 41 -10.122 1.494 15.033 1.00 0.00 C ATOM 1337 CD PRO B 41 -11.600 1.780 14.956 1.00 0.00 C ATOM 0 HA PRO B 41 -11.343 -1.036 13.266 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -9.021 -0.284 14.556 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -9.597 0.598 13.156 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -9.821 1.300 16.062 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -9.546 2.353 14.689 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -11.998 2.080 15.925 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -11.813 2.590 14.259 1.00 0.00 H new ATOM 1345 N GLU B 42 -11.827 -2.637 15.151 1.00 0.00 N ATOM 1346 CA GLU B 42 -11.793 -3.706 16.192 1.00 0.00 C ATOM 1347 C GLU B 42 -10.346 -4.144 16.429 1.00 0.00 C ATOM 1348 O GLU B 42 -9.998 -4.645 17.481 1.00 0.00 O ATOM 1349 CB GLU B 42 -12.618 -4.855 15.607 1.00 0.00 C ATOM 1350 CG GLU B 42 -12.533 -6.070 16.535 1.00 0.00 C ATOM 1351 CD GLU B 42 -13.936 -6.454 17.003 1.00 0.00 C ATOM 1352 OE1 GLU B 42 -14.752 -6.784 16.157 1.00 0.00 O ATOM 1353 OE2 GLU B 42 -14.173 -6.412 18.199 1.00 0.00 O ATOM 0 H GLU B 42 -12.444 -2.819 14.359 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.191 -3.374 17.151 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -13.657 -4.547 15.488 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -12.247 -5.115 14.616 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -12.070 -6.908 16.013 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -11.902 -5.841 17.394 1.00 0.00 H new ATOM 1360 N ARG B 43 -9.498 -3.950 15.455 1.00 0.00 N ATOM 1361 CA ARG B 43 -8.069 -4.342 15.604 1.00 0.00 C ATOM 1362 C ARG B 43 -7.233 -3.664 14.510 1.00 0.00 C ATOM 1363 O ARG B 43 -7.024 -4.232 13.457 1.00 0.00 O ATOM 1364 CB ARG B 43 -8.049 -5.860 15.435 1.00 0.00 C ATOM 1365 CG ARG B 43 -7.420 -6.506 16.670 1.00 0.00 C ATOM 1366 CD ARG B 43 -5.924 -6.192 16.706 1.00 0.00 C ATOM 1367 NE ARG B 43 -5.412 -6.895 17.915 1.00 0.00 N ATOM 1368 CZ ARG B 43 -4.137 -6.873 18.192 1.00 0.00 C ATOM 1369 NH1 ARG B 43 -3.269 -7.257 17.298 1.00 0.00 N ATOM 1370 NH2 ARG B 43 -3.731 -6.470 19.364 1.00 0.00 N ATOM 0 H ARG B 43 -9.737 -3.533 14.555 1.00 0.00 H new ATOM 0 HA ARG B 43 -7.651 -4.042 16.565 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -9.063 -6.234 15.294 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -7.483 -6.129 14.543 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -7.902 -6.133 17.574 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -7.575 -7.585 16.648 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -5.425 -6.544 15.803 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -5.747 -5.118 16.769 1.00 0.00 H new ATOM 0 HE ARG B 43 -6.058 -7.394 18.527 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -3.587 -7.575 16.382 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -2.272 -7.240 17.514 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -4.410 -6.172 20.064 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -2.734 -6.453 19.580 1.00 0.00 H new ATOM 1384 N PRO B 44 -6.790 -2.462 14.790 1.00 0.00 N ATOM 1385 CA PRO B 44 -5.980 -1.701 13.804 1.00 0.00 C ATOM 1386 C PRO B 44 -4.610 -2.352 13.611 1.00 0.00 C ATOM 1387 O PRO B 44 -4.081 -2.397 12.518 1.00 0.00 O ATOM 1388 CB PRO B 44 -5.847 -0.317 14.439 1.00 0.00 C ATOM 1389 CG PRO B 44 -6.030 -0.551 15.902 1.00 0.00 C ATOM 1390 CD PRO B 44 -6.987 -1.706 16.034 1.00 0.00 C ATOM 0 HA PRO B 44 -6.435 -1.667 12.814 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -4.873 0.124 14.227 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -6.599 0.370 14.051 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -5.078 -0.780 16.380 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -6.426 0.339 16.391 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -6.764 -2.313 16.912 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -8.017 -1.364 16.136 1.00 0.00 H new ATOM 1398 N MET B 45 -4.030 -2.862 14.662 1.00 0.00 N ATOM 1399 CA MET B 45 -2.697 -3.513 14.529 1.00 0.00 C ATOM 1400 C MET B 45 -2.748 -4.596 13.446 1.00 0.00 C ATOM 1401 O MET B 45 -1.873 -4.692 12.609 1.00 0.00 O ATOM 1402 CB MET B 45 -2.419 -4.134 15.898 1.00 0.00 C ATOM 1403 CG MET B 45 -1.572 -3.171 16.734 1.00 0.00 C ATOM 1404 SD MET B 45 -2.577 -2.483 18.075 1.00 0.00 S ATOM 1405 CE MET B 45 -1.297 -2.516 19.354 1.00 0.00 C ATOM 0 H MET B 45 -4.420 -2.856 15.604 1.00 0.00 H new ATOM 0 HA MET B 45 -1.918 -2.808 14.239 1.00 0.00 H new ATOM 0 HB2 MET B 45 -3.358 -4.347 16.410 1.00 0.00 H new ATOM 0 HB3 MET B 45 -1.898 -5.084 15.779 1.00 0.00 H new ATOM 0 HG2 MET B 45 -0.708 -3.694 17.145 1.00 0.00 H new ATOM 0 HG3 MET B 45 -1.189 -2.368 16.105 1.00 0.00 H new ATOM 0 HE1 MET B 45 -1.705 -2.127 20.287 1.00 0.00 H new ATOM 0 HE2 MET B 45 -0.960 -3.541 19.505 1.00 0.00 H new ATOM 0 HE3 MET B 45 -0.454 -1.899 19.041 1.00 0.00 H new ATOM 1415 N ALA B 46 -3.767 -5.408 13.456 1.00 0.00 N ATOM 1416 CA ALA B 46 -3.877 -6.481 12.426 1.00 0.00 C ATOM 1417 C ALA B 46 -4.642 -5.971 11.201 1.00 0.00 C ATOM 1418 O ALA B 46 -4.543 -6.520 10.123 1.00 0.00 O ATOM 1419 CB ALA B 46 -4.654 -7.607 13.110 1.00 0.00 C ATOM 0 H ALA B 46 -4.530 -5.376 14.133 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.900 -6.812 12.072 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -4.778 -8.438 12.415 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -4.105 -7.947 13.988 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -5.634 -7.240 13.415 1.00 0.00 H new ATOM 1425 N PHE B 47 -5.407 -4.924 11.359 1.00 0.00 N ATOM 1426 CA PHE B 47 -6.181 -4.384 10.205 1.00 0.00 C ATOM 1427 C PHE B 47 -5.253 -4.126 9.014 1.00 0.00 C ATOM 1428 O PHE B 47 -5.494 -4.592 7.919 1.00 0.00 O ATOM 1429 CB PHE B 47 -6.783 -3.070 10.706 1.00 0.00 C ATOM 1430 CG PHE B 47 -7.589 -2.432 9.599 1.00 0.00 C ATOM 1431 CD1 PHE B 47 -8.694 -3.117 9.046 1.00 0.00 C ATOM 1432 CD2 PHE B 47 -7.239 -1.150 9.120 1.00 0.00 C ATOM 1433 CE1 PHE B 47 -9.448 -2.520 8.012 1.00 0.00 C ATOM 1434 CE2 PHE B 47 -7.994 -0.553 8.085 1.00 0.00 C ATOM 1435 CZ PHE B 47 -9.099 -1.238 7.530 1.00 0.00 C ATOM 0 H PHE B 47 -5.529 -4.420 12.237 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.947 -5.081 9.866 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -7.418 -3.255 11.572 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -5.991 -2.395 11.030 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -8.962 -4.096 9.414 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -6.395 -0.626 9.544 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -10.292 -3.044 7.589 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -7.727 0.427 7.718 1.00 0.00 H new ATOM 0 HZ PHE B 47 -9.676 -0.782 6.739 1.00 0.00 H new ATOM 1445 N LEU B 48 -4.197 -3.386 9.215 1.00 0.00 N ATOM 1446 CA LEU B 48 -3.260 -3.101 8.090 1.00 0.00 C ATOM 1447 C LEU B 48 -2.817 -4.406 7.421 1.00 0.00 C ATOM 1448 O LEU B 48 -2.732 -4.498 6.211 1.00 0.00 O ATOM 1449 CB LEU B 48 -2.067 -2.397 8.735 1.00 0.00 C ATOM 1450 CG LEU B 48 -1.261 -1.665 7.658 1.00 0.00 C ATOM 1451 CD1 LEU B 48 -1.668 -0.191 7.630 1.00 0.00 C ATOM 1452 CD2 LEU B 48 0.232 -1.775 7.976 1.00 0.00 C ATOM 0 H LEU B 48 -3.942 -2.966 10.109 1.00 0.00 H new ATOM 0 HA LEU B 48 -3.723 -2.491 7.315 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -2.413 -1.690 9.489 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -1.435 -3.124 9.246 1.00 0.00 H new ATOM 0 HG LEU B 48 -1.460 -2.116 6.686 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -1.094 0.330 6.864 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -2.731 -0.111 7.404 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -1.469 0.260 8.602 1.00 0.00 H new ATOM 0 HD21 LEU B 48 0.807 -1.254 7.210 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.431 -1.324 8.948 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.523 -2.825 7.997 1.00 0.00 H new ATOM 1464 N ARG B 49 -2.535 -5.415 8.196 1.00 0.00 N ATOM 1465 CA ARG B 49 -2.098 -6.711 7.602 1.00 0.00 C ATOM 1466 C ARG B 49 -3.160 -7.228 6.627 1.00 0.00 C ATOM 1467 O ARG B 49 -2.894 -7.444 5.460 1.00 0.00 O ATOM 1468 CB ARG B 49 -1.950 -7.662 8.791 1.00 0.00 C ATOM 1469 CG ARG B 49 -1.478 -9.030 8.295 1.00 0.00 C ATOM 1470 CD ARG B 49 -1.768 -10.087 9.361 1.00 0.00 C ATOM 1471 NE ARG B 49 -2.267 -11.270 8.604 1.00 0.00 N ATOM 1472 CZ ARG B 49 -3.031 -12.149 9.195 1.00 0.00 C ATOM 1473 NH1 ARG B 49 -2.494 -13.148 9.840 1.00 0.00 N ATOM 1474 NH2 ARG B 49 -4.328 -12.026 9.143 1.00 0.00 N ATOM 0 H ARG B 49 -2.588 -5.400 9.215 1.00 0.00 H new ATOM 0 HA ARG B 49 -1.169 -6.617 7.039 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -1.235 -7.257 9.508 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -2.902 -7.761 9.312 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -1.986 -9.287 7.365 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -0.410 -9.001 8.077 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -0.870 -10.332 9.929 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -2.511 -9.733 10.076 1.00 0.00 H new ATOM 0 HE ARG B 49 -2.012 -11.393 7.624 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -1.479 -13.241 9.882 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -3.089 -13.836 10.302 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -4.746 -11.243 8.641 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -4.924 -12.713 9.605 1.00 0.00 H new ATOM 1488 N GLU B 50 -4.361 -7.430 7.096 1.00 0.00 N ATOM 1489 CA GLU B 50 -5.440 -7.934 6.197 1.00 0.00 C ATOM 1490 C GLU B 50 -5.963 -6.807 5.298 1.00 0.00 C ATOM 1491 O GLU B 50 -6.662 -7.049 4.335 1.00 0.00 O ATOM 1492 CB GLU B 50 -6.542 -8.417 7.143 1.00 0.00 C ATOM 1493 CG GLU B 50 -7.346 -9.527 6.464 1.00 0.00 C ATOM 1494 CD GLU B 50 -8.188 -10.258 7.512 1.00 0.00 C ATOM 1495 OE1 GLU B 50 -7.658 -11.152 8.153 1.00 0.00 O ATOM 1496 OE2 GLU B 50 -9.349 -9.912 7.656 1.00 0.00 O ATOM 0 H GLU B 50 -4.643 -7.268 8.063 1.00 0.00 H new ATOM 0 HA GLU B 50 -5.087 -8.725 5.535 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -6.104 -8.786 8.071 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -7.198 -7.588 7.408 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -7.991 -9.105 5.693 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -6.674 -10.227 5.969 1.00 0.00 H new ATOM 1503 N TYR B 51 -5.635 -5.581 5.605 1.00 0.00 N ATOM 1504 CA TYR B 51 -6.119 -4.446 4.768 1.00 0.00 C ATOM 1505 C TYR B 51 -5.629 -4.602 3.323 1.00 0.00 C ATOM 1506 O TYR B 51 -6.412 -4.711 2.400 1.00 0.00 O ATOM 1507 CB TYR B 51 -5.516 -3.194 5.419 1.00 0.00 C ATOM 1508 CG TYR B 51 -5.744 -1.989 4.534 1.00 0.00 C ATOM 1509 CD1 TYR B 51 -4.840 -1.705 3.485 1.00 0.00 C ATOM 1510 CD2 TYR B 51 -6.858 -1.148 4.752 1.00 0.00 C ATOM 1511 CE1 TYR B 51 -5.051 -0.582 2.655 1.00 0.00 C ATOM 1512 CE2 TYR B 51 -7.070 -0.025 3.920 1.00 0.00 C ATOM 1513 CZ TYR B 51 -6.164 0.258 2.872 1.00 0.00 C ATOM 1514 OH TYR B 51 -6.371 1.356 2.060 1.00 0.00 O ATOM 0 H TYR B 51 -5.053 -5.316 6.399 1.00 0.00 H new ATOM 0 HA TYR B 51 -7.207 -4.397 4.722 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -5.969 -3.028 6.396 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -4.448 -3.338 5.583 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -3.988 -2.347 3.318 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -7.548 -1.363 5.555 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -4.360 -0.366 1.854 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -7.923 0.616 4.085 1.00 0.00 H new ATOM 0 HH TYR B 51 -5.520 1.820 1.915 1.00 0.00 H new ATOM 1524 N PHE B 52 -4.339 -4.598 3.116 1.00 0.00 N ATOM 1525 CA PHE B 52 -3.809 -4.732 1.730 1.00 0.00 C ATOM 1526 C PHE B 52 -3.707 -6.205 1.324 1.00 0.00 C ATOM 1527 O PHE B 52 -3.747 -6.540 0.158 1.00 0.00 O ATOM 1528 CB PHE B 52 -2.424 -4.085 1.768 1.00 0.00 C ATOM 1529 CG PHE B 52 -2.233 -3.234 0.535 1.00 0.00 C ATOM 1530 CD1 PHE B 52 -1.852 -3.836 -0.685 1.00 0.00 C ATOM 1531 CD2 PHE B 52 -2.439 -1.840 0.602 1.00 0.00 C ATOM 1532 CE1 PHE B 52 -1.675 -3.039 -1.839 1.00 0.00 C ATOM 1533 CE2 PHE B 52 -2.261 -1.042 -0.550 1.00 0.00 C ATOM 1534 CZ PHE B 52 -1.879 -1.642 -1.771 1.00 0.00 C ATOM 0 H PHE B 52 -3.632 -4.508 3.845 1.00 0.00 H new ATOM 0 HA PHE B 52 -4.463 -4.256 0.999 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.321 -3.474 2.665 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.653 -4.854 1.816 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -1.696 -4.903 -0.736 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -2.733 -1.382 1.535 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.384 -3.497 -2.773 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -2.417 0.025 -0.498 1.00 0.00 H new ATOM 0 HZ PHE B 52 -1.743 -1.033 -2.652 1.00 0.00 H new ATOM 1544 N GLU B 53 -3.577 -7.090 2.276 1.00 0.00 N ATOM 1545 CA GLU B 53 -3.473 -8.538 1.930 1.00 0.00 C ATOM 1546 C GLU B 53 -4.640 -8.953 1.028 1.00 0.00 C ATOM 1547 O GLU B 53 -4.452 -9.575 0.001 1.00 0.00 O ATOM 1548 CB GLU B 53 -3.545 -9.274 3.268 1.00 0.00 C ATOM 1549 CG GLU B 53 -3.512 -10.785 3.017 1.00 0.00 C ATOM 1550 CD GLU B 53 -2.744 -11.476 4.147 1.00 0.00 C ATOM 1551 OE1 GLU B 53 -1.900 -10.830 4.746 1.00 0.00 O ATOM 1552 OE2 GLU B 53 -3.014 -12.640 4.393 1.00 0.00 O ATOM 0 H GLU B 53 -3.538 -6.875 3.272 1.00 0.00 H new ATOM 0 HA GLU B 53 -2.555 -8.766 1.388 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -2.709 -8.981 3.903 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -4.458 -9.002 3.797 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -4.528 -11.177 2.961 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -3.036 -10.995 2.059 1.00 0.00 H new ATOM 1559 N LYS B 54 -5.841 -8.612 1.402 1.00 0.00 N ATOM 1560 CA LYS B 54 -7.017 -8.983 0.566 1.00 0.00 C ATOM 1561 C LYS B 54 -7.220 -7.959 -0.553 1.00 0.00 C ATOM 1562 O LYS B 54 -7.580 -8.301 -1.663 1.00 0.00 O ATOM 1563 CB LYS B 54 -8.207 -8.973 1.526 1.00 0.00 C ATOM 1564 CG LYS B 54 -9.210 -10.051 1.109 1.00 0.00 C ATOM 1565 CD LYS B 54 -9.895 -10.620 2.353 1.00 0.00 C ATOM 1566 CE LYS B 54 -10.750 -9.534 3.008 1.00 0.00 C ATOM 1567 NZ LYS B 54 -11.353 -10.188 4.203 1.00 0.00 N ATOM 0 H LYS B 54 -6.060 -8.092 2.252 1.00 0.00 H new ATOM 0 HA LYS B 54 -6.889 -9.953 0.086 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -7.866 -9.153 2.546 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -8.686 -7.994 1.518 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -9.953 -9.629 0.433 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -8.700 -10.847 0.566 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -10.517 -11.472 2.080 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -9.148 -10.984 3.058 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -10.145 -8.673 3.292 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -11.519 -9.172 2.326 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -11.955 -9.505 4.706 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -11.929 -11.000 3.901 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -10.597 -10.516 4.837 1.00 0.00 H new ATOM 1581 N LEU B 55 -6.994 -6.704 -0.274 1.00 0.00 N ATOM 1582 CA LEU B 55 -7.176 -5.662 -1.324 1.00 0.00 C ATOM 1583 C LEU B 55 -6.227 -5.923 -2.497 1.00 0.00 C ATOM 1584 O LEU B 55 -6.504 -5.561 -3.623 1.00 0.00 O ATOM 1585 CB LEU B 55 -6.828 -4.340 -0.636 1.00 0.00 C ATOM 1586 CG LEU B 55 -7.359 -3.175 -1.474 1.00 0.00 C ATOM 1587 CD1 LEU B 55 -8.886 -3.141 -1.394 1.00 0.00 C ATOM 1588 CD2 LEU B 55 -6.791 -1.860 -0.935 1.00 0.00 C ATOM 0 H LEU B 55 -6.691 -6.355 0.636 1.00 0.00 H new ATOM 0 HA LEU B 55 -8.188 -5.656 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -7.263 -4.312 0.363 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -5.748 -4.253 -0.516 1.00 0.00 H new ATOM 0 HG LEU B 55 -7.053 -3.306 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -9.263 -2.311 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -9.291 -4.077 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -9.193 -3.010 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -7.168 -1.029 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -7.097 -1.730 0.103 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -5.703 -1.883 -0.993 1.00 0.00 H new ATOM 1600 N GLU B 56 -5.111 -6.549 -2.241 1.00 0.00 N ATOM 1601 CA GLU B 56 -4.147 -6.832 -3.342 1.00 0.00 C ATOM 1602 C GLU B 56 -4.796 -7.735 -4.391 1.00 0.00 C ATOM 1603 O GLU B 56 -4.828 -7.421 -5.564 1.00 0.00 O ATOM 1604 CB GLU B 56 -2.977 -7.548 -2.667 1.00 0.00 C ATOM 1605 CG GLU B 56 -1.782 -7.583 -3.622 1.00 0.00 C ATOM 1606 CD GLU B 56 -0.688 -8.481 -3.038 1.00 0.00 C ATOM 1607 OE1 GLU B 56 -0.247 -8.203 -1.936 1.00 0.00 O ATOM 1608 OE2 GLU B 56 -0.312 -9.432 -3.703 1.00 0.00 O ATOM 0 H GLU B 56 -4.825 -6.876 -1.318 1.00 0.00 H new ATOM 0 HA GLU B 56 -3.828 -5.926 -3.857 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -2.705 -7.034 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.267 -8.562 -2.392 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -2.093 -7.958 -4.597 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -1.396 -6.575 -3.776 1.00 0.00 H new ATOM 1615 N LYS B 57 -5.317 -8.856 -3.976 1.00 0.00 N ATOM 1616 CA LYS B 57 -5.967 -9.782 -4.946 1.00 0.00 C ATOM 1617 C LYS B 57 -7.359 -9.265 -5.319 1.00 0.00 C ATOM 1618 O LYS B 57 -8.355 -9.925 -5.105 1.00 0.00 O ATOM 1619 CB LYS B 57 -6.072 -11.118 -4.207 1.00 0.00 C ATOM 1620 CG LYS B 57 -5.932 -12.268 -5.208 1.00 0.00 C ATOM 1621 CD LYS B 57 -7.277 -12.982 -5.355 1.00 0.00 C ATOM 1622 CE LYS B 57 -7.448 -13.990 -4.217 1.00 0.00 C ATOM 1623 NZ LYS B 57 -8.888 -14.372 -4.254 1.00 0.00 N ATOM 0 H LYS B 57 -5.321 -9.172 -3.006 1.00 0.00 H new ATOM 0 HA LYS B 57 -5.402 -9.872 -5.874 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -5.294 -11.187 -3.447 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -7.030 -11.186 -3.691 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -5.604 -11.885 -6.174 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -5.171 -12.970 -4.868 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -8.090 -12.256 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -7.327 -13.492 -6.317 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -6.805 -14.859 -4.359 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -7.181 -13.550 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -9.083 -15.062 -3.501 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -9.475 -13.526 -4.109 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -9.111 -14.794 -5.178 1.00 0.00 H new ATOM 1637 N GLU B 58 -7.432 -8.086 -5.874 1.00 0.00 N ATOM 1638 CA GLU B 58 -8.759 -7.522 -6.258 1.00 0.00 C ATOM 1639 C GLU B 58 -9.128 -7.956 -7.680 1.00 0.00 C ATOM 1640 O GLU B 58 -9.491 -7.147 -8.510 1.00 0.00 O ATOM 1641 CB GLU B 58 -8.581 -6.004 -6.190 1.00 0.00 C ATOM 1642 CG GLU B 58 -7.458 -5.575 -7.137 1.00 0.00 C ATOM 1643 CD GLU B 58 -7.725 -4.154 -7.638 1.00 0.00 C ATOM 1644 OE1 GLU B 58 -8.669 -3.979 -8.390 1.00 0.00 O ATOM 1645 OE2 GLU B 58 -6.981 -3.264 -7.258 1.00 0.00 O ATOM 0 H GLU B 58 -6.631 -7.489 -6.078 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.559 -7.868 -5.603 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -9.511 -5.506 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -8.346 -5.701 -5.170 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -6.498 -5.616 -6.622 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -7.396 -6.263 -7.980 1.00 0.00 H new