USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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: B 12 HIS : no HE2:sc= -5.06! C(o=-4!,f=-5.7!) USER MOD Set 1.2: B 16 HIS : no HE2:sc= 0.011 X(o=-4,f=-4.4) USER MOD Set 1.3: B 40 CYS SG : rot -143:sc= 0.398 USER MOD Set 1.4: B 43 CYS SG : rot 139:sc= 0.637 USER MOD Set 2.1: A 35 GLN : amide:sc= -2.03 K(o=-4,f=-7.5!) USER MOD Set 2.2: B 35 GLN : amide:sc= -2.01 K(o=-4,f=-7.5!) USER MOD Set 3.1: A 12 HIS : no HE2:sc= -5.1! C(o=-4!,f=-5.9!) USER MOD Set 3.2: A 16 HIS : no HE2:sc= 0.013 X(o=-4,f=-4.4) USER MOD Set 3.3: A 40 CYS SG : rot -142:sc= 0.401 USER MOD Set 3.4: A 43 CYS SG : rot 139:sc= 0.677 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0531 USER MOD Single : A 18 ASN : amide:sc= -0.017 K(o=-0.017,f=-1.6) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -87:sc= 0.977 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0628 X(o=-0.063,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 39 SER OG : rot 84:sc= 1.24 USER MOD Single : A 42 GLN : amide:sc=-0.00799 K(o=-0.008,f=-0.79) USER MOD Single : A 44 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.4) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= -0.0422 USER MOD Single : B 18 ASN : amide:sc= -0.0176 K(o=-0.018,f=-1.7) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 SER OG : rot -86:sc= 1.04 USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 ASN : amide:sc= -0.0571 X(o=-0.057,f=0) USER MOD Single : B 38 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : B 39 SER OG : rot 83:sc= 1.22 USER MOD Single : B 42 GLN : amide:sc=-0.00414 K(o=-0.0041,f=-0.76) USER MOD Single : B 44 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 6 -8.723 -7.499 -11.854 1.00 0.00 N ATOM 99 CA GLU A 6 -9.042 -6.556 -12.921 1.00 0.00 C ATOM 100 C GLU A 6 -10.541 -6.235 -12.924 1.00 0.00 C ATOM 101 O GLU A 6 -10.932 -5.077 -12.781 1.00 0.00 O ATOM 102 CB GLU A 6 -8.609 -7.117 -14.280 1.00 0.00 C ATOM 103 CG GLU A 6 -7.362 -6.454 -14.842 1.00 0.00 C ATOM 104 CD GLU A 6 -6.436 -7.440 -15.527 1.00 0.00 C ATOM 105 OE1 GLU A 6 -6.923 -8.229 -16.364 1.00 0.00 O ATOM 106 OE2 GLU A 6 -5.223 -7.424 -15.227 1.00 0.00 O ATOM 0 HA GLU A 6 -8.493 -5.632 -12.740 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.428 -8.187 -14.181 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.426 -6.996 -14.991 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.655 -5.682 -15.553 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.824 -5.957 -14.035 1.00 0.00 H new ATOM 113 N PRO A 7 -11.410 -7.262 -13.084 1.00 0.00 N ATOM 114 CA PRO A 7 -12.868 -7.072 -13.097 1.00 0.00 C ATOM 115 C PRO A 7 -13.359 -6.149 -11.984 1.00 0.00 C ATOM 116 O PRO A 7 -14.351 -5.439 -12.147 1.00 0.00 O ATOM 117 CB PRO A 7 -13.399 -8.488 -12.879 1.00 0.00 C ATOM 118 CG PRO A 7 -12.364 -9.375 -13.474 1.00 0.00 C ATOM 119 CD PRO A 7 -11.043 -8.683 -13.263 1.00 0.00 C ATOM 0 HA PRO A 7 -13.206 -6.599 -14.019 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.540 -8.699 -11.819 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.366 -8.627 -13.363 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.370 -10.355 -12.997 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.553 -9.536 -14.535 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.522 -9.074 -12.389 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.380 -8.820 -14.117 1.00 0.00 H new ATOM 127 N ALA A 8 -12.660 -6.167 -10.852 1.00 0.00 N ATOM 128 CA ALA A 8 -13.032 -5.331 -9.715 1.00 0.00 C ATOM 129 C ALA A 8 -12.787 -3.858 -10.012 1.00 0.00 C ATOM 130 O ALA A 8 -13.549 -2.993 -9.582 1.00 0.00 O ATOM 131 CB ALA A 8 -12.270 -5.760 -8.470 1.00 0.00 C ATOM 0 H ALA A 8 -11.836 -6.749 -10.698 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.099 -5.462 -9.534 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.558 -5.127 -7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.506 -6.799 -8.239 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.199 -5.662 -8.647 1.00 0.00 H new ATOM 137 N GLN A 9 -11.719 -3.577 -10.753 1.00 0.00 N ATOM 138 CA GLN A 9 -11.378 -2.206 -11.108 1.00 0.00 C ATOM 139 C GLN A 9 -12.421 -1.619 -12.053 1.00 0.00 C ATOM 140 O GLN A 9 -12.768 -0.441 -11.959 1.00 0.00 O ATOM 141 CB GLN A 9 -9.994 -2.150 -11.758 1.00 0.00 C ATOM 142 CG GLN A 9 -8.859 -2.018 -10.756 1.00 0.00 C ATOM 143 CD GLN A 9 -7.581 -2.677 -11.235 1.00 0.00 C ATOM 144 OE1 GLN A 9 -7.010 -2.285 -12.254 1.00 0.00 O ATOM 145 NE2 GLN A 9 -7.122 -3.684 -10.500 1.00 0.00 N ATOM 0 H GLN A 9 -11.077 -4.280 -11.118 1.00 0.00 H new ATOM 0 HA GLN A 9 -11.363 -1.613 -10.194 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.842 -3.053 -12.350 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.959 -1.307 -12.448 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.669 -0.962 -10.564 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.161 -2.465 -9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.627 -3.976 -9.663 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.265 -4.165 -10.773 1.00 0.00 H new ATOM 154 N GLU A 10 -12.923 -2.450 -12.961 1.00 0.00 N ATOM 155 CA GLU A 10 -13.933 -2.016 -13.918 1.00 0.00 C ATOM 156 C GLU A 10 -15.259 -1.753 -13.214 1.00 0.00 C ATOM 157 O GLU A 10 -15.991 -0.831 -13.567 1.00 0.00 O ATOM 158 CB GLU A 10 -14.119 -3.070 -15.010 1.00 0.00 C ATOM 159 CG GLU A 10 -15.004 -2.609 -16.157 1.00 0.00 C ATOM 160 CD GLU A 10 -15.817 -3.741 -16.758 1.00 0.00 C ATOM 161 OE1 GLU A 10 -16.905 -4.040 -16.221 1.00 0.00 O ATOM 162 OE2 GLU A 10 -15.364 -4.329 -17.761 1.00 0.00 O ATOM 0 H GLU A 10 -12.646 -3.427 -13.054 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.593 -1.088 -14.378 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.142 -3.348 -15.405 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.551 -3.968 -14.567 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.679 -1.831 -15.800 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.383 -2.161 -16.933 1.00 0.00 H new ATOM 169 N GLU A 11 -15.555 -2.572 -12.209 1.00 0.00 N ATOM 170 CA GLU A 11 -16.788 -2.430 -11.443 1.00 0.00 C ATOM 171 C GLU A 11 -16.832 -1.079 -10.744 1.00 0.00 C ATOM 172 O GLU A 11 -17.852 -0.392 -10.776 1.00 0.00 O ATOM 173 CB GLU A 11 -16.908 -3.557 -10.415 1.00 0.00 C ATOM 174 CG GLU A 11 -18.192 -3.507 -9.604 1.00 0.00 C ATOM 175 CD GLU A 11 -19.396 -3.989 -10.387 1.00 0.00 C ATOM 176 OE1 GLU A 11 -19.505 -3.641 -11.582 1.00 0.00 O ATOM 177 OE2 GLU A 11 -20.232 -4.714 -9.807 1.00 0.00 O ATOM 0 H GLU A 11 -14.957 -3.341 -11.906 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.629 -2.491 -12.134 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.851 -4.515 -10.931 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.057 -3.510 -9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.076 -4.119 -8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.366 -2.484 -9.270 1.00 0.00 H new ATOM 184 N HIS A 12 -15.722 -0.695 -10.120 1.00 0.00 N ATOM 185 CA HIS A 12 -15.665 0.584 -9.433 1.00 0.00 C ATOM 186 C HIS A 12 -15.807 1.730 -10.434 1.00 0.00 C ATOM 187 O HIS A 12 -16.467 2.728 -10.161 1.00 0.00 O ATOM 188 CB HIS A 12 -14.359 0.746 -8.636 1.00 0.00 C ATOM 189 CG HIS A 12 -14.319 2.041 -7.890 1.00 0.00 C ATOM 190 ND1 HIS A 12 -14.367 2.152 -6.515 1.00 0.00 N ATOM 191 CD2 HIS A 12 -14.374 3.302 -8.374 1.00 0.00 C ATOM 192 CE1 HIS A 12 -14.472 3.460 -6.219 1.00 0.00 C ATOM 193 NE2 HIS A 12 -14.482 4.191 -7.315 1.00 0.00 N ATOM 0 H HIS A 12 -14.864 -1.244 -10.078 1.00 0.00 H new ATOM 0 HA HIS A 12 -16.495 0.613 -8.727 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -14.257 -0.081 -7.933 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -13.509 0.692 -9.317 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -14.330 1.383 -5.846 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.339 3.574 -9.419 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.539 3.858 -5.217 1.00 0.00 H new ATOM 201 N GLU A 13 -15.171 1.587 -11.586 1.00 0.00 N ATOM 202 CA GLU A 13 -15.220 2.617 -12.617 1.00 0.00 C ATOM 203 C GLU A 13 -16.638 2.828 -13.159 1.00 0.00 C ATOM 204 O GLU A 13 -16.893 3.810 -13.856 1.00 0.00 O ATOM 205 CB GLU A 13 -14.276 2.253 -13.765 1.00 0.00 C ATOM 206 CG GLU A 13 -12.878 2.838 -13.617 1.00 0.00 C ATOM 207 CD GLU A 13 -12.387 3.514 -14.882 1.00 0.00 C ATOM 208 OE1 GLU A 13 -12.105 2.801 -15.866 1.00 0.00 O ATOM 209 OE2 GLU A 13 -12.284 4.760 -14.887 1.00 0.00 O ATOM 0 H GLU A 13 -14.614 0.769 -11.833 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.901 3.552 -12.157 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.201 1.168 -13.832 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.708 2.601 -14.703 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.876 3.560 -12.800 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.184 2.044 -13.342 1.00 0.00 H new ATOM 216 N LYS A 14 -17.555 1.907 -12.861 1.00 0.00 N ATOM 217 CA LYS A 14 -18.923 2.020 -13.357 1.00 0.00 C ATOM 218 C LYS A 14 -19.898 2.544 -12.297 1.00 0.00 C ATOM 219 O LYS A 14 -20.805 3.314 -12.613 1.00 0.00 O ATOM 220 CB LYS A 14 -19.403 0.665 -13.880 1.00 0.00 C ATOM 221 CG LYS A 14 -20.208 0.758 -15.169 1.00 0.00 C ATOM 222 CD LYS A 14 -20.871 -0.568 -15.506 1.00 0.00 C ATOM 223 CE LYS A 14 -20.010 -1.403 -16.440 1.00 0.00 C ATOM 224 NZ LYS A 14 -20.826 -2.103 -17.470 1.00 0.00 N ATOM 0 H LYS A 14 -17.377 1.084 -12.285 1.00 0.00 H new ATOM 0 HA LYS A 14 -18.908 2.750 -14.167 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -18.538 0.023 -14.047 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -20.013 0.185 -13.115 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -20.969 1.532 -15.069 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -19.554 1.058 -15.988 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -21.059 -1.125 -14.588 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -21.840 -0.383 -15.971 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -19.279 -0.761 -16.931 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -19.451 -2.137 -15.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -20.202 -2.661 -18.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -21.507 -2.735 -17.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -21.340 -1.402 -18.041 1.00 0.00 H new ATOM 238 N TYR A 15 -19.727 2.118 -11.046 1.00 0.00 N ATOM 239 CA TYR A 15 -20.626 2.548 -9.971 1.00 0.00 C ATOM 240 C TYR A 15 -19.869 3.027 -8.728 1.00 0.00 C ATOM 241 O TYR A 15 -20.440 3.086 -7.639 1.00 0.00 O ATOM 242 CB TYR A 15 -21.554 1.395 -9.577 1.00 0.00 C ATOM 243 CG TYR A 15 -22.145 0.656 -10.757 1.00 0.00 C ATOM 244 CD1 TYR A 15 -23.324 1.091 -11.349 1.00 0.00 C ATOM 245 CD2 TYR A 15 -21.529 -0.478 -11.274 1.00 0.00 C ATOM 246 CE1 TYR A 15 -23.871 0.418 -12.425 1.00 0.00 C ATOM 247 CE2 TYR A 15 -22.072 -1.155 -12.348 1.00 0.00 C ATOM 248 CZ TYR A 15 -23.243 -0.703 -12.919 1.00 0.00 C ATOM 249 OH TYR A 15 -23.785 -1.377 -13.990 1.00 0.00 O ATOM 0 H TYR A 15 -18.985 1.483 -10.752 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.202 3.390 -10.356 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -20.999 0.689 -8.959 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -22.365 1.787 -8.963 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -23.821 1.969 -10.962 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -20.612 -0.835 -10.829 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -24.787 0.770 -12.876 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -21.582 -2.034 -12.739 1.00 0.00 H new ATOM 0 HH TYR A 15 -23.218 -2.144 -14.215 1.00 0.00 H new ATOM 259 N HIS A 16 -18.585 3.357 -8.889 1.00 0.00 N ATOM 260 CA HIS A 16 -17.737 3.818 -7.778 1.00 0.00 C ATOM 261 C HIS A 16 -17.966 2.998 -6.504 1.00 0.00 C ATOM 262 O HIS A 16 -18.044 3.544 -5.403 1.00 0.00 O ATOM 263 CB HIS A 16 -17.953 5.307 -7.490 1.00 0.00 C ATOM 264 CG HIS A 16 -17.473 6.214 -8.583 1.00 0.00 C ATOM 265 ND1 HIS A 16 -16.163 6.641 -8.666 1.00 0.00 N ATOM 266 CD2 HIS A 16 -18.172 6.759 -9.611 1.00 0.00 C ATOM 267 CE1 HIS A 16 -16.100 7.422 -9.728 1.00 0.00 C ATOM 268 NE2 HIS A 16 -17.292 7.525 -10.332 1.00 0.00 N ATOM 0 H HIS A 16 -18.103 3.314 -9.787 1.00 0.00 H new ATOM 0 HA HIS A 16 -16.704 3.671 -8.093 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -19.016 5.484 -7.325 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -17.439 5.566 -6.564 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -15.399 6.401 -8.035 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -19.222 6.617 -9.821 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.201 7.916 -10.067 1.00 0.00 H new ATOM 276 N SER A 17 -18.075 1.681 -6.670 1.00 0.00 N ATOM 277 CA SER A 17 -18.299 0.779 -5.545 1.00 0.00 C ATOM 278 C SER A 17 -17.216 0.940 -4.480 1.00 0.00 C ATOM 279 O SER A 17 -16.059 1.218 -4.792 1.00 0.00 O ATOM 280 CB SER A 17 -18.338 -0.672 -6.033 1.00 0.00 C ATOM 281 OG SER A 17 -19.529 -0.933 -6.755 1.00 0.00 O ATOM 0 H SER A 17 -18.011 1.215 -7.575 1.00 0.00 H new ATOM 0 HA SER A 17 -19.258 1.036 -5.095 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.474 -0.870 -6.667 1.00 0.00 H new ATOM 0 HB3 SER A 17 -18.270 -1.348 -5.181 1.00 0.00 H new ATOM 0 HG SER A 17 -19.530 -1.865 -7.058 1.00 0.00 H new ATOM 287 N ASN A 18 -17.604 0.763 -3.221 1.00 0.00 N ATOM 288 CA ASN A 18 -16.671 0.891 -2.107 1.00 0.00 C ATOM 289 C ASN A 18 -15.896 -0.404 -1.892 1.00 0.00 C ATOM 290 O ASN A 18 -16.208 -1.433 -2.491 1.00 0.00 O ATOM 291 CB ASN A 18 -17.420 1.267 -0.828 1.00 0.00 C ATOM 292 CG ASN A 18 -17.948 2.686 -0.863 1.00 0.00 C ATOM 293 OD1 ASN A 18 -17.971 3.327 -1.914 1.00 0.00 O ATOM 294 ND2 ASN A 18 -18.378 3.188 0.290 1.00 0.00 N ATOM 0 H ASN A 18 -18.558 0.530 -2.947 1.00 0.00 H new ATOM 0 HA ASN A 18 -15.961 1.681 -2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -18.251 0.577 -0.681 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.754 1.151 0.027 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -18.745 4.139 0.327 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.341 2.622 1.138 1.00 0.00 H new ATOM 301 N VAL A 19 -14.886 -0.344 -1.028 1.00 0.00 N ATOM 302 CA VAL A 19 -14.056 -1.507 -0.720 1.00 0.00 C ATOM 303 C VAL A 19 -14.908 -2.698 -0.291 1.00 0.00 C ATOM 304 O VAL A 19 -14.768 -3.799 -0.820 1.00 0.00 O ATOM 305 CB VAL A 19 -13.040 -1.187 0.397 1.00 0.00 C ATOM 306 CG1 VAL A 19 -12.097 -2.358 0.636 1.00 0.00 C ATOM 307 CG2 VAL A 19 -12.259 0.069 0.054 1.00 0.00 C ATOM 0 H VAL A 19 -14.621 0.503 -0.526 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.518 -1.763 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.594 -1.013 1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.393 -2.103 1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.673 -3.235 0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.548 -2.576 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.546 0.283 0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.722 -0.081 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.947 0.908 -0.052 1.00 0.00 H new ATOM 317 N LYS A 20 -15.791 -2.467 0.676 1.00 0.00 N ATOM 318 CA LYS A 20 -16.667 -3.521 1.181 1.00 0.00 C ATOM 319 C LYS A 20 -17.482 -4.146 0.051 1.00 0.00 C ATOM 320 O LYS A 20 -17.851 -5.319 0.118 1.00 0.00 O ATOM 321 CB LYS A 20 -17.604 -2.963 2.255 1.00 0.00 C ATOM 322 CG LYS A 20 -18.163 -4.025 3.186 1.00 0.00 C ATOM 323 CD LYS A 20 -19.557 -4.458 2.763 1.00 0.00 C ATOM 324 CE LYS A 20 -20.626 -3.580 3.390 1.00 0.00 C ATOM 325 NZ LYS A 20 -21.989 -4.157 3.221 1.00 0.00 N ATOM 0 H LYS A 20 -15.919 -1.561 1.126 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.041 -4.297 1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.066 -2.221 2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.431 -2.445 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.499 -4.889 3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.194 -3.638 4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.639 -4.414 1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.721 -5.496 3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.415 -3.453 4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.593 -2.589 2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.690 -3.528 3.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -22.201 -4.255 2.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -22.029 -5.092 3.675 1.00 0.00 H new ATOM 339 N GLU A 21 -17.754 -3.360 -0.985 1.00 0.00 N ATOM 340 CA GLU A 21 -18.517 -3.844 -2.130 1.00 0.00 C ATOM 341 C GLU A 21 -17.631 -4.669 -3.056 1.00 0.00 C ATOM 342 O GLU A 21 -18.014 -5.755 -3.495 1.00 0.00 O ATOM 343 CB GLU A 21 -19.128 -2.671 -2.896 1.00 0.00 C ATOM 344 CG GLU A 21 -20.109 -3.096 -3.977 1.00 0.00 C ATOM 345 CD GLU A 21 -21.527 -3.225 -3.458 1.00 0.00 C ATOM 346 OE1 GLU A 21 -21.743 -4.007 -2.509 1.00 0.00 O ATOM 347 OE2 GLU A 21 -22.422 -2.544 -4.002 1.00 0.00 O ATOM 0 H GLU A 21 -17.458 -2.386 -1.056 1.00 0.00 H new ATOM 0 HA GLU A 21 -19.321 -4.481 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -19.638 -2.014 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.327 -2.089 -3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.088 -2.369 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -19.791 -4.051 -4.396 1.00 0.00 H new ATOM 354 N LEU A 22 -16.441 -4.150 -3.348 1.00 0.00 N ATOM 355 CA LEU A 22 -15.498 -4.844 -4.219 1.00 0.00 C ATOM 356 C LEU A 22 -14.962 -6.100 -3.535 1.00 0.00 C ATOM 357 O LEU A 22 -14.690 -7.107 -4.190 1.00 0.00 O ATOM 358 CB LEU A 22 -14.325 -3.927 -4.590 1.00 0.00 C ATOM 359 CG LEU A 22 -14.599 -2.887 -5.687 1.00 0.00 C ATOM 360 CD1 LEU A 22 -15.326 -3.510 -6.871 1.00 0.00 C ATOM 361 CD2 LEU A 22 -15.390 -1.715 -5.125 1.00 0.00 C ATOM 0 H LEU A 22 -16.108 -3.253 -2.995 1.00 0.00 H new ATOM 0 HA LEU A 22 -16.029 -5.128 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.004 -3.401 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.490 -4.551 -4.910 1.00 0.00 H new ATOM 0 HG LEU A 22 -13.639 -2.517 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -15.505 -2.748 -7.630 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -14.715 -4.307 -7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -16.279 -3.921 -6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -15.575 -0.988 -5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -16.341 -2.073 -4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.821 -1.243 -4.324 1.00 0.00 H new ATOM 373 N SER A 23 -14.808 -6.030 -2.215 1.00 0.00 N ATOM 374 CA SER A 23 -14.296 -7.157 -1.443 1.00 0.00 C ATOM 375 C SER A 23 -15.363 -8.232 -1.249 1.00 0.00 C ATOM 376 O SER A 23 -15.067 -9.424 -1.287 1.00 0.00 O ATOM 377 CB SER A 23 -13.790 -6.675 -0.081 1.00 0.00 C ATOM 378 OG SER A 23 -12.555 -5.992 -0.207 1.00 0.00 O ATOM 0 H SER A 23 -15.031 -5.205 -1.659 1.00 0.00 H new ATOM 0 HA SER A 23 -13.471 -7.597 -2.003 1.00 0.00 H new ATOM 0 HB2 SER A 23 -14.529 -6.015 0.372 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.671 -7.527 0.588 1.00 0.00 H new ATOM 0 HG SER A 23 -11.818 -6.637 -0.161 1.00 0.00 H new ATOM 384 N HIS A 24 -16.600 -7.798 -1.039 1.00 0.00 N ATOM 385 CA HIS A 24 -17.707 -8.725 -0.834 1.00 0.00 C ATOM 386 C HIS A 24 -18.204 -9.290 -2.162 1.00 0.00 C ATOM 387 O HIS A 24 -18.677 -10.423 -2.227 1.00 0.00 O ATOM 388 CB HIS A 24 -18.851 -8.022 -0.096 1.00 0.00 C ATOM 389 CG HIS A 24 -20.033 -8.906 0.166 1.00 0.00 C ATOM 390 ND1 HIS A 24 -20.028 -9.830 1.180 1.00 0.00 N ATOM 391 CD2 HIS A 24 -21.222 -8.963 -0.483 1.00 0.00 C ATOM 392 CE1 HIS A 24 -21.205 -10.428 1.130 1.00 0.00 C ATOM 393 NE2 HIS A 24 -21.964 -9.936 0.138 1.00 0.00 N ATOM 0 H HIS A 24 -16.862 -6.813 -1.006 1.00 0.00 H new ATOM 0 HA HIS A 24 -17.348 -9.556 -0.227 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -18.478 -7.639 0.854 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -19.175 -7.162 -0.682 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -21.526 -8.360 -1.325 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -21.517 -11.213 1.802 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -22.910 -10.229 -0.107 1.00 0.00 H new ATOM 401 N LYS A 25 -18.099 -8.489 -3.220 1.00 0.00 N ATOM 402 CA LYS A 25 -18.544 -8.912 -4.542 1.00 0.00 C ATOM 403 C LYS A 25 -17.507 -9.800 -5.224 1.00 0.00 C ATOM 404 O LYS A 25 -17.855 -10.781 -5.883 1.00 0.00 O ATOM 405 CB LYS A 25 -18.838 -7.693 -5.420 1.00 0.00 C ATOM 406 CG LYS A 25 -19.579 -8.036 -6.706 1.00 0.00 C ATOM 407 CD LYS A 25 -18.844 -7.527 -7.938 1.00 0.00 C ATOM 408 CE LYS A 25 -19.731 -7.566 -9.172 1.00 0.00 C ATOM 409 NZ LYS A 25 -19.701 -8.898 -9.837 1.00 0.00 N ATOM 0 H LYS A 25 -17.711 -7.546 -3.186 1.00 0.00 H new ATOM 0 HA LYS A 25 -19.457 -9.493 -4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.430 -6.978 -4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -17.898 -7.201 -5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.701 -9.117 -6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.579 -7.603 -6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.505 -6.506 -7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -17.955 -8.133 -8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.756 -7.324 -8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -19.406 -6.801 -9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.319 -8.882 -10.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -18.728 -9.118 -10.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -20.036 -9.625 -9.173 1.00 0.00 H new ATOM 423 N PHE A 26 -16.233 -9.447 -5.074 1.00 0.00 N ATOM 424 CA PHE A 26 -15.152 -10.211 -5.688 1.00 0.00 C ATOM 425 C PHE A 26 -14.399 -11.080 -4.674 1.00 0.00 C ATOM 426 O PHE A 26 -13.481 -11.812 -5.044 1.00 0.00 O ATOM 427 CB PHE A 26 -14.183 -9.263 -6.394 1.00 0.00 C ATOM 428 CG PHE A 26 -14.819 -8.501 -7.522 1.00 0.00 C ATOM 429 CD1 PHE A 26 -14.856 -9.035 -8.800 1.00 0.00 C ATOM 430 CD2 PHE A 26 -15.387 -7.257 -7.301 1.00 0.00 C ATOM 431 CE1 PHE A 26 -15.449 -8.341 -9.840 1.00 0.00 C ATOM 432 CE2 PHE A 26 -15.979 -6.559 -8.338 1.00 0.00 C ATOM 433 CZ PHE A 26 -16.010 -7.101 -9.605 1.00 0.00 C ATOM 0 H PHE A 26 -15.925 -8.639 -4.534 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.602 -10.887 -6.415 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.781 -8.557 -5.667 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.340 -9.836 -6.781 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.417 -10.004 -8.987 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.367 -6.828 -6.310 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.473 -8.767 -10.832 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.417 -5.589 -8.155 1.00 0.00 H new ATOM 0 HZ PHE A 26 -16.473 -6.556 -10.414 1.00 0.00 H new ATOM 443 N GLY A 27 -14.793 -11.012 -3.401 1.00 0.00 N ATOM 444 CA GLY A 27 -14.140 -11.815 -2.381 1.00 0.00 C ATOM 445 C GLY A 27 -12.671 -11.478 -2.198 1.00 0.00 C ATOM 446 O GLY A 27 -11.858 -12.366 -1.937 1.00 0.00 O ATOM 0 H GLY A 27 -15.549 -10.418 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.658 -11.676 -1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.234 -12.869 -2.643 1.00 0.00 H new ATOM 450 N ILE A 28 -12.326 -10.200 -2.323 1.00 0.00 N ATOM 451 CA ILE A 28 -10.941 -9.769 -2.153 1.00 0.00 C ATOM 452 C ILE A 28 -10.759 -9.048 -0.820 1.00 0.00 C ATOM 453 O ILE A 28 -11.688 -8.418 -0.321 1.00 0.00 O ATOM 454 CB ILE A 28 -10.486 -8.831 -3.289 1.00 0.00 C ATOM 455 CG1 ILE A 28 -11.424 -7.628 -3.401 1.00 0.00 C ATOM 456 CG2 ILE A 28 -10.417 -9.582 -4.609 1.00 0.00 C ATOM 457 CD1 ILE A 28 -10.914 -6.550 -4.332 1.00 0.00 C ATOM 0 H ILE A 28 -12.981 -9.449 -2.540 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.328 -10.670 -2.176 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.487 -8.465 -3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.398 -7.968 -3.751 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.573 -7.200 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.094 -8.903 -5.398 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.705 -10.403 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.402 -9.979 -4.853 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.629 -5.728 -4.363 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.954 -6.182 -3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.792 -6.962 -5.334 1.00 0.00 H new ATOM 469 N PRO A 29 -9.554 -9.124 -0.218 1.00 0.00 N ATOM 470 CA PRO A 29 -9.281 -8.462 1.061 1.00 0.00 C ATOM 471 C PRO A 29 -9.572 -6.969 1.003 1.00 0.00 C ATOM 472 O PRO A 29 -9.962 -6.442 -0.040 1.00 0.00 O ATOM 473 CB PRO A 29 -7.783 -8.705 1.284 1.00 0.00 C ATOM 474 CG PRO A 29 -7.468 -9.911 0.470 1.00 0.00 C ATOM 475 CD PRO A 29 -8.372 -9.846 -0.728 1.00 0.00 C ATOM 0 HA PRO A 29 -9.909 -8.850 1.863 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.191 -7.847 0.965 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.562 -8.871 2.338 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.420 -9.917 0.169 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.641 -10.824 1.041 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.904 -9.317 -1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.633 -10.840 -1.091 1.00 0.00 H new ATOM 483 N ASN A 30 -9.381 -6.287 2.125 1.00 0.00 N ATOM 484 CA ASN A 30 -9.624 -4.853 2.193 1.00 0.00 C ATOM 485 C ASN A 30 -8.488 -4.082 1.533 1.00 0.00 C ATOM 486 O ASN A 30 -8.699 -3.010 0.967 1.00 0.00 O ATOM 487 CB ASN A 30 -9.785 -4.408 3.649 1.00 0.00 C ATOM 488 CG ASN A 30 -11.005 -5.022 4.305 1.00 0.00 C ATOM 489 OD1 ASN A 30 -10.902 -5.687 5.335 1.00 0.00 O ATOM 490 ND2 ASN A 30 -12.170 -4.803 3.709 1.00 0.00 N ATOM 0 H ASN A 30 -9.059 -6.703 2.999 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.547 -4.638 1.655 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.894 -4.685 4.212 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.862 -3.321 3.688 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.026 -5.192 4.104 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.210 -4.245 2.856 1.00 0.00 H new ATOM 497 N LEU A 31 -7.282 -4.635 1.607 1.00 0.00 N ATOM 498 CA LEU A 31 -6.116 -3.998 1.011 1.00 0.00 C ATOM 499 C LEU A 31 -6.292 -3.856 -0.496 1.00 0.00 C ATOM 500 O LEU A 31 -6.263 -2.749 -1.030 1.00 0.00 O ATOM 501 CB LEU A 31 -4.850 -4.802 1.318 1.00 0.00 C ATOM 502 CG LEU A 31 -3.559 -4.216 0.745 1.00 0.00 C ATOM 503 CD1 LEU A 31 -3.235 -2.887 1.408 1.00 0.00 C ATOM 504 CD2 LEU A 31 -2.406 -5.193 0.919 1.00 0.00 C ATOM 0 H LEU A 31 -7.088 -5.521 2.073 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.014 -3.003 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.744 -4.887 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.976 -5.813 0.930 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.705 -4.042 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.313 -2.486 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.050 -2.185 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.109 -3.036 2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.496 -4.759 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.260 -5.399 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.635 -6.122 0.397 1.00 0.00 H new ATOM 516 N VAL A 32 -6.477 -4.985 -1.178 1.00 0.00 N ATOM 517 CA VAL A 32 -6.658 -4.989 -2.628 1.00 0.00 C ATOM 518 C VAL A 32 -7.838 -4.115 -3.038 1.00 0.00 C ATOM 519 O VAL A 32 -7.729 -3.310 -3.963 1.00 0.00 O ATOM 520 CB VAL A 32 -6.879 -6.416 -3.171 1.00 0.00 C ATOM 521 CG1 VAL A 32 -6.802 -6.425 -4.690 1.00 0.00 C ATOM 522 CG2 VAL A 32 -5.863 -7.378 -2.575 1.00 0.00 C ATOM 0 H VAL A 32 -6.505 -5.910 -0.749 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.741 -4.586 -3.057 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.875 -6.747 -2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.960 -7.439 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.571 -5.768 -5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.820 -6.074 -5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.035 -8.379 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.856 -7.052 -2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.969 -7.393 -1.490 1.00 0.00 H new ATOM 532 N ALA A 33 -8.962 -4.269 -2.347 1.00 0.00 N ATOM 533 CA ALA A 33 -10.149 -3.480 -2.648 1.00 0.00 C ATOM 534 C ALA A 33 -9.872 -1.999 -2.437 1.00 0.00 C ATOM 535 O ALA A 33 -10.405 -1.147 -3.148 1.00 0.00 O ATOM 536 CB ALA A 33 -11.320 -3.931 -1.788 1.00 0.00 C ATOM 0 H ALA A 33 -9.075 -4.930 -1.578 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.410 -3.636 -3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.198 -3.331 -2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.534 -4.981 -1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.068 -3.804 -0.735 1.00 0.00 H new ATOM 542 N ARG A 34 -9.026 -1.699 -1.457 1.00 0.00 N ATOM 543 CA ARG A 34 -8.665 -0.322 -1.151 1.00 0.00 C ATOM 544 C ARG A 34 -7.892 0.302 -2.309 1.00 0.00 C ATOM 545 O ARG A 34 -8.079 1.474 -2.633 1.00 0.00 O ATOM 546 CB ARG A 34 -7.830 -0.266 0.136 1.00 0.00 C ATOM 547 CG ARG A 34 -8.626 0.162 1.357 1.00 0.00 C ATOM 548 CD ARG A 34 -7.910 -0.205 2.648 1.00 0.00 C ATOM 549 NE ARG A 34 -8.756 0.016 3.821 1.00 0.00 N ATOM 550 CZ ARG A 34 -8.353 -0.165 5.079 1.00 0.00 C ATOM 551 NH1 ARG A 34 -7.109 -0.553 5.343 1.00 0.00 N ATOM 552 NH2 ARG A 34 -9.198 0.046 6.080 1.00 0.00 N ATOM 0 H ARG A 34 -8.577 -2.394 -0.860 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.581 0.249 -1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.396 -1.249 0.321 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.001 0.427 -0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.791 1.239 1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.607 -0.312 1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.607 -1.251 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.000 0.387 2.740 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.715 0.328 3.667 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.452 -0.715 4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.811 -0.688 6.309 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.153 0.346 5.886 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.892 -0.092 7.043 1.00 0.00 H new ATOM 566 N GLN A 35 -7.025 -0.492 -2.933 1.00 0.00 N ATOM 567 CA GLN A 35 -6.224 -0.018 -4.059 1.00 0.00 C ATOM 568 C GLN A 35 -7.115 0.502 -5.182 1.00 0.00 C ATOM 569 O GLN A 35 -6.737 1.416 -5.915 1.00 0.00 O ATOM 570 CB GLN A 35 -5.325 -1.143 -4.584 1.00 0.00 C ATOM 571 CG GLN A 35 -4.462 -1.799 -3.515 1.00 0.00 C ATOM 572 CD GLN A 35 -3.721 -0.797 -2.647 1.00 0.00 C ATOM 573 OE1 GLN A 35 -3.500 0.345 -3.049 1.00 0.00 O ATOM 574 NE2 GLN A 35 -3.336 -1.222 -1.450 1.00 0.00 N ATOM 0 H GLN A 35 -6.859 -1.466 -2.678 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.599 0.803 -3.706 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.950 -1.905 -5.050 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.677 -0.742 -5.363 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.092 -2.423 -2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.739 -2.459 -3.995 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.541 -2.178 -1.158 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.835 -0.593 -0.822 1.00 0.00 H new ATOM 583 N ILE A 36 -8.303 -0.084 -5.307 1.00 0.00 N ATOM 584 CA ILE A 36 -9.250 0.323 -6.336 1.00 0.00 C ATOM 585 C ILE A 36 -9.822 1.703 -6.027 1.00 0.00 C ATOM 586 O ILE A 36 -9.773 2.607 -6.858 1.00 0.00 O ATOM 587 CB ILE A 36 -10.406 -0.689 -6.467 1.00 0.00 C ATOM 588 CG1 ILE A 36 -9.852 -2.103 -6.648 1.00 0.00 C ATOM 589 CG2 ILE A 36 -11.317 -0.320 -7.631 1.00 0.00 C ATOM 590 CD1 ILE A 36 -10.920 -3.171 -6.697 1.00 0.00 C ATOM 0 H ILE A 36 -8.631 -0.842 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.706 0.359 -7.280 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.996 -0.659 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.270 -2.141 -7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.167 -2.323 -5.829 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.126 -1.047 -7.705 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.736 0.673 -7.465 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.742 -0.321 -8.557 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.453 -4.147 -6.827 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.487 -3.161 -5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.591 -2.976 -7.533 1.00 0.00 H new ATOM 602 N VAL A 37 -10.356 1.856 -4.820 1.00 0.00 N ATOM 603 CA VAL A 37 -10.927 3.128 -4.398 1.00 0.00 C ATOM 604 C VAL A 37 -9.834 4.184 -4.264 1.00 0.00 C ATOM 605 O VAL A 37 -10.034 5.349 -4.606 1.00 0.00 O ATOM 606 CB VAL A 37 -11.675 2.994 -3.054 1.00 0.00 C ATOM 607 CG1 VAL A 37 -12.349 4.305 -2.676 1.00 0.00 C ATOM 608 CG2 VAL A 37 -12.691 1.865 -3.119 1.00 0.00 C ATOM 0 H VAL A 37 -10.405 1.117 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.641 3.434 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.946 2.755 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.869 4.186 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.596 5.087 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.065 4.582 -3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.208 1.786 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.415 2.072 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.179 0.927 -3.334 1.00 0.00 H new ATOM 618 N ASN A 38 -8.675 3.763 -3.765 1.00 0.00 N ATOM 619 CA ASN A 38 -7.548 4.667 -3.589 1.00 0.00 C ATOM 620 C ASN A 38 -7.066 5.188 -4.939 1.00 0.00 C ATOM 621 O ASN A 38 -6.643 6.338 -5.058 1.00 0.00 O ATOM 622 CB ASN A 38 -6.402 3.963 -2.860 1.00 0.00 C ATOM 623 CG ASN A 38 -5.514 4.934 -2.106 1.00 0.00 C ATOM 624 OD1 ASN A 38 -4.883 5.808 -2.700 1.00 0.00 O ATOM 625 ND2 ASN A 38 -5.460 4.782 -0.787 1.00 0.00 N ATOM 0 H ASN A 38 -8.494 2.802 -3.476 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.880 5.511 -2.985 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.813 3.233 -2.162 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.801 3.410 -3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.878 5.404 -0.225 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.000 4.043 -0.336 1.00 0.00 H new ATOM 632 N SER A 39 -7.141 4.336 -5.956 1.00 0.00 N ATOM 633 CA SER A 39 -6.718 4.713 -7.299 1.00 0.00 C ATOM 634 C SER A 39 -7.678 5.739 -7.893 1.00 0.00 C ATOM 635 O SER A 39 -7.277 6.593 -8.685 1.00 0.00 O ATOM 636 CB SER A 39 -6.646 3.480 -8.203 1.00 0.00 C ATOM 637 OG SER A 39 -5.502 2.697 -7.907 1.00 0.00 O ATOM 0 H SER A 39 -7.490 3.381 -5.876 1.00 0.00 H new ATOM 0 HA SER A 39 -5.725 5.159 -7.232 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.546 2.878 -8.075 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.617 3.792 -9.247 1.00 0.00 H new ATOM 0 HG SER A 39 -5.701 2.098 -7.157 1.00 0.00 H new ATOM 643 N CYS A 40 -8.945 5.650 -7.504 1.00 0.00 N ATOM 644 CA CYS A 40 -9.961 6.571 -7.996 1.00 0.00 C ATOM 645 C CYS A 40 -9.719 7.981 -7.462 1.00 0.00 C ATOM 646 O CYS A 40 -9.652 8.193 -6.251 1.00 0.00 O ATOM 647 CB CYS A 40 -11.357 6.091 -7.592 1.00 0.00 C ATOM 648 SG CYS A 40 -12.700 7.071 -8.299 1.00 0.00 S ATOM 0 H CYS A 40 -9.292 4.949 -6.849 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.897 6.597 -9.084 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -11.477 5.052 -7.900 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -11.438 6.112 -6.505 1.00 0.00 H new ATOM 0 HG CYS A 40 -13.653 7.196 -7.424 1.00 0.00 H new ATOM 653 N ALA A 41 -9.588 8.939 -8.372 1.00 0.00 N ATOM 654 CA ALA A 41 -9.351 10.327 -7.994 1.00 0.00 C ATOM 655 C ALA A 41 -10.631 10.990 -7.502 1.00 0.00 C ATOM 656 O ALA A 41 -10.623 11.722 -6.512 1.00 0.00 O ATOM 657 CB ALA A 41 -8.771 11.102 -9.169 1.00 0.00 C ATOM 0 H ALA A 41 -9.642 8.780 -9.378 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.632 10.336 -7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.599 12.137 -8.873 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.827 10.650 -9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.471 11.075 -10.004 1.00 0.00 H new ATOM 663 N GLN A 42 -11.734 10.728 -8.196 1.00 0.00 N ATOM 664 CA GLN A 42 -13.025 11.297 -7.825 1.00 0.00 C ATOM 665 C GLN A 42 -13.424 10.873 -6.416 1.00 0.00 C ATOM 666 O GLN A 42 -14.109 11.607 -5.705 1.00 0.00 O ATOM 667 CB GLN A 42 -14.101 10.868 -8.825 1.00 0.00 C ATOM 668 CG GLN A 42 -13.721 11.117 -10.275 1.00 0.00 C ATOM 669 CD GLN A 42 -14.869 10.866 -11.232 1.00 0.00 C ATOM 670 OE1 GLN A 42 -16.029 11.123 -10.908 1.00 0.00 O ATOM 671 NE2 GLN A 42 -14.552 10.359 -12.417 1.00 0.00 N ATOM 0 H GLN A 42 -11.760 10.125 -9.018 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.934 12.383 -7.844 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -14.308 9.806 -8.690 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -15.024 11.403 -8.604 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.380 12.146 -10.385 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.883 10.473 -10.542 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.577 10.161 -12.643 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -15.283 10.167 -13.102 1.00 0.00 H new ATOM 680 N CYS A 43 -12.992 9.681 -6.019 1.00 0.00 N ATOM 681 CA CYS A 43 -13.300 9.154 -4.696 1.00 0.00 C ATOM 682 C CYS A 43 -12.227 9.544 -3.685 1.00 0.00 C ATOM 683 O CYS A 43 -12.505 9.680 -2.492 1.00 0.00 O ATOM 684 CB CYS A 43 -13.441 7.632 -4.752 1.00 0.00 C ATOM 685 SG CYS A 43 -15.046 7.059 -5.354 1.00 0.00 S ATOM 0 H CYS A 43 -12.426 9.060 -6.597 1.00 0.00 H new ATOM 0 HA CYS A 43 -14.246 9.588 -4.372 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -12.659 7.229 -5.396 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -13.273 7.226 -3.755 1.00 0.00 H new ATOM 0 HG CYS A 43 -14.874 6.050 -6.155 1.00 0.00 H new ATOM 690 N GLN A 44 -10.999 9.721 -4.164 1.00 0.00 N ATOM 691 CA GLN A 44 -9.887 10.095 -3.298 1.00 0.00 C ATOM 692 C GLN A 44 -10.096 11.490 -2.716 1.00 0.00 C ATOM 693 O GLN A 44 -10.256 11.651 -1.506 1.00 0.00 O ATOM 694 CB GLN A 44 -8.567 10.033 -4.076 1.00 0.00 C ATOM 695 CG GLN A 44 -7.696 8.844 -3.702 1.00 0.00 C ATOM 696 CD GLN A 44 -6.296 8.945 -4.277 1.00 0.00 C ATOM 697 OE1 GLN A 44 -5.306 8.860 -3.549 1.00 0.00 O ATOM 698 NE2 GLN A 44 -6.208 9.128 -5.589 1.00 0.00 N ATOM 0 H GLN A 44 -10.750 9.611 -5.147 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.842 9.386 -2.471 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.785 9.992 -5.143 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.008 10.952 -3.901 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.635 8.770 -2.616 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.166 7.927 -4.058 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.055 9.193 -6.153 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.293 9.204 -6.033 1.00 0.00 H new ATOM 845 N GLU B 6 3.082 -7.485 3.939 1.00 0.00 N ATOM 846 CA GLU B 6 3.390 -6.536 5.006 1.00 0.00 C ATOM 847 C GLU B 6 4.890 -6.224 5.031 1.00 0.00 C ATOM 848 O GLU B 6 5.288 -5.067 4.888 1.00 0.00 O ATOM 849 CB GLU B 6 2.932 -7.087 6.361 1.00 0.00 C ATOM 850 CG GLU B 6 1.679 -6.413 6.898 1.00 0.00 C ATOM 851 CD GLU B 6 0.735 -7.390 7.574 1.00 0.00 C ATOM 852 OE1 GLU B 6 1.206 -8.175 8.424 1.00 0.00 O ATOM 853 OE2 GLU B 6 -0.471 -7.367 7.255 1.00 0.00 O ATOM 0 HA GLU B 6 2.850 -5.609 4.811 1.00 0.00 H new ATOM 0 HB2 GLU B 6 2.747 -8.157 6.265 1.00 0.00 H new ATOM 0 HB3 GLU B 6 3.738 -6.966 7.085 1.00 0.00 H new ATOM 0 HG2 GLU B 6 1.964 -5.638 7.609 1.00 0.00 H new ATOM 0 HG3 GLU B 6 1.158 -5.918 6.079 1.00 0.00 H new ATOM 860 N PRO B 7 5.750 -7.252 5.212 1.00 0.00 N ATOM 861 CA PRO B 7 7.207 -7.072 5.246 1.00 0.00 C ATOM 862 C PRO B 7 7.722 -6.157 4.136 1.00 0.00 C ATOM 863 O PRO B 7 8.713 -5.451 4.312 1.00 0.00 O ATOM 864 CB PRO B 7 7.736 -8.491 5.046 1.00 0.00 C ATOM 865 CG PRO B 7 6.686 -9.369 5.627 1.00 0.00 C ATOM 866 CD PRO B 7 5.372 -8.671 5.391 1.00 0.00 C ATOM 0 HA PRO B 7 7.532 -6.596 6.171 1.00 0.00 H new ATOM 0 HB2 PRO B 7 7.895 -8.709 3.990 1.00 0.00 H new ATOM 0 HB3 PRO B 7 8.693 -8.632 5.549 1.00 0.00 H new ATOM 0 HG2 PRO B 7 6.695 -10.351 5.154 1.00 0.00 H new ATOM 0 HG3 PRO B 7 6.857 -9.527 6.692 1.00 0.00 H new ATOM 0 HD2 PRO B 7 4.864 -9.063 4.510 1.00 0.00 H new ATOM 0 HD3 PRO B 7 4.694 -8.800 6.234 1.00 0.00 H new ATOM 874 N ALA B 8 7.042 -6.177 2.993 1.00 0.00 N ATOM 875 CA ALA B 8 7.436 -5.352 1.857 1.00 0.00 C ATOM 876 C ALA B 8 7.193 -3.875 2.141 1.00 0.00 C ATOM 877 O ALA B 8 7.967 -3.017 1.718 1.00 0.00 O ATOM 878 CB ALA B 8 6.692 -5.784 0.604 1.00 0.00 C ATOM 0 H ALA B 8 6.217 -6.755 2.830 1.00 0.00 H new ATOM 0 HA ALA B 8 8.505 -5.491 1.693 1.00 0.00 H new ATOM 0 HB1 ALA B 8 6.998 -5.158 -0.235 1.00 0.00 H new ATOM 0 HB2 ALA B 8 6.925 -6.826 0.383 1.00 0.00 H new ATOM 0 HB3 ALA B 8 5.619 -5.678 0.763 1.00 0.00 H new ATOM 884 N GLN B 9 6.116 -3.585 2.863 1.00 0.00 N ATOM 885 CA GLN B 9 5.777 -2.208 3.205 1.00 0.00 C ATOM 886 C GLN B 9 6.808 -1.622 4.163 1.00 0.00 C ATOM 887 O GLN B 9 7.162 -0.447 4.067 1.00 0.00 O ATOM 888 CB GLN B 9 4.384 -2.142 3.830 1.00 0.00 C ATOM 889 CG GLN B 9 3.265 -2.009 2.811 1.00 0.00 C ATOM 890 CD GLN B 9 1.976 -2.660 3.272 1.00 0.00 C ATOM 891 OE1 GLN B 9 1.391 -2.259 4.280 1.00 0.00 O ATOM 892 NE2 GLN B 9 1.525 -3.669 2.537 1.00 0.00 N ATOM 0 H GLN B 9 5.464 -4.283 3.222 1.00 0.00 H new ATOM 0 HA GLN B 9 5.780 -1.618 2.288 1.00 0.00 H new ATOM 0 HB2 GLN B 9 4.218 -3.041 4.424 1.00 0.00 H new ATOM 0 HB3 GLN B 9 4.342 -1.295 4.515 1.00 0.00 H new ATOM 0 HG2 GLN B 9 3.083 -0.953 2.612 1.00 0.00 H new ATOM 0 HG3 GLN B 9 3.580 -2.461 1.870 1.00 0.00 H new ATOM 0 HE21 GLN B 9 2.041 -3.968 1.710 1.00 0.00 H new ATOM 0 HE22 GLN B 9 0.662 -4.145 2.799 1.00 0.00 H new ATOM 901 N GLU B 10 7.292 -2.450 5.083 1.00 0.00 N ATOM 902 CA GLU B 10 8.288 -2.015 6.053 1.00 0.00 C ATOM 903 C GLU B 10 9.627 -1.763 5.368 1.00 0.00 C ATOM 904 O GLU B 10 10.357 -0.842 5.727 1.00 0.00 O ATOM 905 CB GLU B 10 8.450 -3.063 7.157 1.00 0.00 C ATOM 906 CG GLU B 10 9.321 -2.601 8.313 1.00 0.00 C ATOM 907 CD GLU B 10 10.117 -3.733 8.934 1.00 0.00 C ATOM 908 OE1 GLU B 10 11.211 -4.043 8.416 1.00 0.00 O ATOM 909 OE2 GLU B 10 9.645 -4.311 9.934 1.00 0.00 O ATOM 0 H GLU B 10 7.010 -3.426 5.176 1.00 0.00 H new ATOM 0 HA GLU B 10 7.946 -1.083 6.502 1.00 0.00 H new ATOM 0 HB2 GLU B 10 7.465 -3.330 7.540 1.00 0.00 H new ATOM 0 HB3 GLU B 10 8.881 -3.967 6.727 1.00 0.00 H new ATOM 0 HG2 GLU B 10 10.007 -1.830 7.961 1.00 0.00 H new ATOM 0 HG3 GLU B 10 8.692 -2.143 9.076 1.00 0.00 H new ATOM 916 N GLU B 11 9.934 -2.591 4.374 1.00 0.00 N ATOM 917 CA GLU B 11 11.179 -2.461 3.627 1.00 0.00 C ATOM 918 C GLU B 11 11.242 -1.115 2.921 1.00 0.00 C ATOM 919 O GLU B 11 12.265 -0.429 2.966 1.00 0.00 O ATOM 920 CB GLU B 11 11.309 -3.594 2.608 1.00 0.00 C ATOM 921 CG GLU B 11 12.606 -3.554 1.817 1.00 0.00 C ATOM 922 CD GLU B 11 13.798 -4.036 2.623 1.00 0.00 C ATOM 923 OE1 GLU B 11 13.887 -3.681 3.817 1.00 0.00 O ATOM 924 OE2 GLU B 11 14.639 -4.767 2.062 1.00 0.00 O ATOM 0 H GLU B 11 9.337 -3.359 4.068 1.00 0.00 H new ATOM 0 HA GLU B 11 12.008 -2.523 4.331 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.240 -4.549 3.128 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.469 -3.547 1.915 1.00 0.00 H new ATOM 0 HG2 GLU B 11 12.502 -4.172 0.925 1.00 0.00 H new ATOM 0 HG3 GLU B 11 12.789 -2.534 1.479 1.00 0.00 H new ATOM 931 N HIS B 12 10.145 -0.728 2.275 1.00 0.00 N ATOM 932 CA HIS B 12 10.106 0.549 1.581 1.00 0.00 C ATOM 933 C HIS B 12 10.237 1.699 2.578 1.00 0.00 C ATOM 934 O HIS B 12 10.907 2.691 2.308 1.00 0.00 O ATOM 935 CB HIS B 12 8.812 0.712 0.763 1.00 0.00 C ATOM 936 CG HIS B 12 8.792 2.003 0.007 1.00 0.00 C ATOM 937 ND1 HIS B 12 8.865 2.106 -1.366 1.00 0.00 N ATOM 938 CD2 HIS B 12 8.847 3.265 0.483 1.00 0.00 C ATOM 939 CE1 HIS B 12 8.979 3.411 -1.670 1.00 0.00 C ATOM 940 NE2 HIS B 12 8.976 4.149 -0.578 1.00 0.00 N ATOM 0 H HIS B 12 9.285 -1.273 2.219 1.00 0.00 H new ATOM 0 HA HIS B 12 10.948 0.572 0.889 1.00 0.00 H new ATOM 0 HB2 HIS B 12 8.716 -0.120 0.065 1.00 0.00 H new ATOM 0 HB3 HIS B 12 7.952 0.668 1.431 1.00 0.00 H new ATOM 0 HD1 HIS B 12 8.838 1.333 -2.031 1.00 0.00 H new ATOM 0 HD2 HIS B 12 8.798 3.543 1.526 1.00 0.00 H new ATOM 0 HE1 HIS B 12 9.062 3.802 -2.673 1.00 0.00 H new ATOM 948 N GLU B 13 9.582 1.565 3.720 1.00 0.00 N ATOM 949 CA GLU B 13 9.619 2.603 4.746 1.00 0.00 C ATOM 950 C GLU B 13 11.029 2.811 5.308 1.00 0.00 C ATOM 951 O GLU B 13 11.279 3.795 6.005 1.00 0.00 O ATOM 952 CB GLU B 13 8.655 2.251 5.881 1.00 0.00 C ATOM 953 CG GLU B 13 7.264 2.843 5.706 1.00 0.00 C ATOM 954 CD GLU B 13 6.756 3.529 6.958 1.00 0.00 C ATOM 955 OE1 GLU B 13 6.455 2.821 7.943 1.00 0.00 O ATOM 956 OE2 GLU B 13 6.658 4.774 6.956 1.00 0.00 O ATOM 0 H GLU B 13 9.018 0.750 3.963 1.00 0.00 H new ATOM 0 HA GLU B 13 9.312 3.537 4.275 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.573 1.167 5.953 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.074 2.602 6.824 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.280 3.560 4.885 1.00 0.00 H new ATOM 0 HG3 GLU B 13 6.570 2.051 5.424 1.00 0.00 H new ATOM 963 N LYS B 14 11.947 1.883 5.032 1.00 0.00 N ATOM 964 CA LYS B 14 13.308 1.992 5.551 1.00 0.00 C ATOM 965 C LYS B 14 14.302 2.503 4.501 1.00 0.00 C ATOM 966 O LYS B 14 15.210 3.268 4.828 1.00 0.00 O ATOM 967 CB LYS B 14 13.772 0.637 6.090 1.00 0.00 C ATOM 968 CG LYS B 14 14.555 0.734 7.388 1.00 0.00 C ATOM 969 CD LYS B 14 15.206 -0.593 7.744 1.00 0.00 C ATOM 970 CE LYS B 14 14.327 -1.418 8.669 1.00 0.00 C ATOM 971 NZ LYS B 14 15.123 -2.117 9.715 1.00 0.00 N ATOM 0 H LYS B 14 11.774 1.057 4.459 1.00 0.00 H new ATOM 0 HA LYS B 14 13.285 2.726 6.356 1.00 0.00 H new ATOM 0 HB2 LYS B 14 12.901 0.001 6.248 1.00 0.00 H new ATOM 0 HB3 LYS B 14 14.391 0.149 5.338 1.00 0.00 H new ATOM 0 HG2 LYS B 14 15.321 1.504 7.296 1.00 0.00 H new ATOM 0 HG3 LYS B 14 13.889 1.042 8.194 1.00 0.00 H new ATOM 0 HD2 LYS B 14 15.406 -1.157 6.833 1.00 0.00 H new ATOM 0 HD3 LYS B 14 16.168 -0.410 8.223 1.00 0.00 H new ATOM 0 HE2 LYS B 14 13.592 -0.769 9.145 1.00 0.00 H new ATOM 0 HE3 LYS B 14 13.773 -2.152 8.084 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 14.486 -2.669 10.325 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 15.807 -2.756 9.262 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 15.632 -1.416 10.290 1.00 0.00 H new ATOM 985 N TYR B 15 14.150 2.070 3.250 1.00 0.00 N ATOM 986 CA TYR B 15 15.067 2.489 2.185 1.00 0.00 C ATOM 987 C TYR B 15 14.333 2.966 0.930 1.00 0.00 C ATOM 988 O TYR B 15 14.921 3.015 -0.151 1.00 0.00 O ATOM 989 CB TYR B 15 15.995 1.331 1.815 1.00 0.00 C ATOM 990 CG TYR B 15 16.564 0.596 3.007 1.00 0.00 C ATOM 991 CD1 TYR B 15 17.734 1.028 3.617 1.00 0.00 C ATOM 992 CD2 TYR B 15 15.934 -0.532 3.521 1.00 0.00 C ATOM 993 CE1 TYR B 15 18.261 0.358 4.705 1.00 0.00 C ATOM 994 CE2 TYR B 15 16.455 -1.207 4.610 1.00 0.00 C ATOM 995 CZ TYR B 15 17.619 -0.758 5.198 1.00 0.00 C ATOM 996 OH TYR B 15 18.142 -1.427 6.279 1.00 0.00 O ATOM 0 H TYR B 15 13.410 1.436 2.949 1.00 0.00 H new ATOM 0 HA TYR B 15 15.641 3.331 2.572 1.00 0.00 H new ATOM 0 HB2 TYR B 15 15.447 0.624 1.193 1.00 0.00 H new ATOM 0 HB3 TYR B 15 16.817 1.716 1.212 1.00 0.00 H new ATOM 0 HD1 TYR B 15 18.241 1.902 3.235 1.00 0.00 H new ATOM 0 HD2 TYR B 15 15.023 -0.887 3.062 1.00 0.00 H new ATOM 0 HE1 TYR B 15 19.172 0.707 5.167 1.00 0.00 H new ATOM 0 HE2 TYR B 15 15.953 -2.081 4.998 1.00 0.00 H new ATOM 0 HH TYR B 15 17.568 -2.190 6.501 1.00 0.00 H new ATOM 1006 N HIS B 16 13.048 3.303 1.067 1.00 0.00 N ATOM 1007 CA HIS B 16 12.220 3.761 -0.060 1.00 0.00 C ATOM 1008 C HIS B 16 12.464 2.932 -1.325 1.00 0.00 C ATOM 1009 O HIS B 16 12.564 3.470 -2.427 1.00 0.00 O ATOM 1010 CB HIS B 16 12.450 5.248 -0.354 1.00 0.00 C ATOM 1011 CG HIS B 16 11.957 6.163 0.728 1.00 0.00 C ATOM 1012 ND1 HIS B 16 10.645 6.598 0.787 1.00 0.00 N ATOM 1013 CD2 HIS B 16 12.642 6.710 1.763 1.00 0.00 C ATOM 1014 CE1 HIS B 16 10.569 7.387 1.842 1.00 0.00 C ATOM 1015 NE2 HIS B 16 11.753 7.485 2.465 1.00 0.00 N ATOM 0 H HIS B 16 12.551 3.268 1.957 1.00 0.00 H new ATOM 0 HA HIS B 16 11.181 3.621 0.240 1.00 0.00 H new ATOM 0 HB2 HIS B 16 13.516 5.419 -0.503 1.00 0.00 H new ATOM 0 HB3 HIS B 16 11.952 5.505 -1.289 1.00 0.00 H new ATOM 0 HD1 HIS B 16 9.890 6.358 0.145 1.00 0.00 H new ATOM 0 HD2 HIS B 16 13.687 6.564 1.991 1.00 0.00 H new ATOM 0 HE1 HIS B 16 9.669 7.890 2.163 1.00 0.00 H new ATOM 1023 N SER B 17 12.563 1.617 -1.149 1.00 0.00 N ATOM 1024 CA SER B 17 12.802 0.704 -2.265 1.00 0.00 C ATOM 1025 C SER B 17 11.738 0.866 -3.348 1.00 0.00 C ATOM 1026 O SER B 17 10.577 1.150 -3.058 1.00 0.00 O ATOM 1027 CB SER B 17 12.826 -0.741 -1.767 1.00 0.00 C ATOM 1028 OG SER B 17 14.004 -1.005 -1.025 1.00 0.00 O ATOM 0 H SER B 17 12.481 1.158 -0.242 1.00 0.00 H new ATOM 0 HA SER B 17 13.770 0.950 -2.701 1.00 0.00 H new ATOM 0 HB2 SER B 17 11.951 -0.929 -1.145 1.00 0.00 H new ATOM 0 HB3 SER B 17 12.767 -1.422 -2.616 1.00 0.00 H new ATOM 0 HG SER B 17 13.995 -1.935 -0.716 1.00 0.00 H new ATOM 1034 N ASN B 18 12.145 0.680 -4.600 1.00 0.00 N ATOM 1035 CA ASN B 18 11.230 0.806 -5.729 1.00 0.00 C ATOM 1036 C ASN B 18 10.450 -0.487 -5.950 1.00 0.00 C ATOM 1037 O ASN B 18 10.747 -1.514 -5.340 1.00 0.00 O ATOM 1038 CB ASN B 18 12.002 1.169 -6.999 1.00 0.00 C ATOM 1039 CG ASN B 18 12.538 2.587 -6.963 1.00 0.00 C ATOM 1040 OD1 ASN B 18 12.547 3.234 -5.916 1.00 0.00 O ATOM 1041 ND2 ASN B 18 12.986 3.079 -8.112 1.00 0.00 N ATOM 0 H ASN B 18 13.103 0.441 -4.858 1.00 0.00 H new ATOM 0 HA ASN B 18 10.521 1.601 -5.499 1.00 0.00 H new ATOM 0 HB2 ASN B 18 12.831 0.473 -7.129 1.00 0.00 H new ATOM 0 HB3 ASN B 18 11.349 1.052 -7.864 1.00 0.00 H new ATOM 0 HD21 ASN B 18 13.356 4.029 -8.150 1.00 0.00 H new ATOM 0 HD22 ASN B 18 12.960 2.507 -8.956 1.00 0.00 H new ATOM 1048 N VAL B 19 9.455 -0.427 -6.830 1.00 0.00 N ATOM 1049 CA VAL B 19 8.624 -1.589 -7.143 1.00 0.00 C ATOM 1050 C VAL B 19 9.477 -2.787 -7.553 1.00 0.00 C ATOM 1051 O VAL B 19 9.324 -3.884 -7.017 1.00 0.00 O ATOM 1052 CB VAL B 19 7.630 -1.269 -8.278 1.00 0.00 C ATOM 1053 CG1 VAL B 19 6.683 -2.436 -8.527 1.00 0.00 C ATOM 1054 CG2 VAL B 19 6.848 -0.005 -7.957 1.00 0.00 C ATOM 0 H VAL B 19 9.202 0.418 -7.342 1.00 0.00 H new ATOM 0 HA VAL B 19 8.071 -1.838 -6.237 1.00 0.00 H new ATOM 0 HB VAL B 19 8.202 -1.103 -9.191 1.00 0.00 H new ATOM 0 HG11 VAL B 19 5.994 -2.180 -9.332 1.00 0.00 H new ATOM 0 HG12 VAL B 19 7.259 -3.318 -8.808 1.00 0.00 H new ATOM 0 HG13 VAL B 19 6.117 -2.646 -7.619 1.00 0.00 H new ATOM 0 HG21 VAL B 19 6.151 0.207 -8.768 1.00 0.00 H new ATOM 0 HG22 VAL B 19 6.294 -0.146 -7.029 1.00 0.00 H new ATOM 0 HG23 VAL B 19 7.538 0.831 -7.844 1.00 0.00 H new ATOM 1064 N LYS B 20 10.377 -2.566 -8.507 1.00 0.00 N ATOM 1065 CA LYS B 20 11.257 -3.627 -8.989 1.00 0.00 C ATOM 1066 C LYS B 20 12.049 -4.251 -7.843 1.00 0.00 C ATOM 1067 O LYS B 20 12.413 -5.425 -7.894 1.00 0.00 O ATOM 1068 CB LYS B 20 12.212 -3.080 -10.052 1.00 0.00 C ATOM 1069 CG LYS B 20 12.781 -4.152 -10.968 1.00 0.00 C ATOM 1070 CD LYS B 20 14.164 -4.589 -10.518 1.00 0.00 C ATOM 1071 CE LYS B 20 15.248 -3.719 -11.134 1.00 0.00 C ATOM 1072 NZ LYS B 20 16.605 -4.302 -10.941 1.00 0.00 N ATOM 0 H LYS B 20 10.516 -1.663 -8.961 1.00 0.00 H new ATOM 0 HA LYS B 20 10.635 -4.404 -9.433 1.00 0.00 H new ATOM 0 HB2 LYS B 20 11.686 -2.340 -10.655 1.00 0.00 H new ATOM 0 HB3 LYS B 20 13.034 -2.562 -9.558 1.00 0.00 H new ATOM 0 HG2 LYS B 20 12.113 -5.013 -10.982 1.00 0.00 H new ATOM 0 HG3 LYS B 20 12.832 -3.771 -11.988 1.00 0.00 H new ATOM 0 HD2 LYS B 20 14.228 -4.538 -9.431 1.00 0.00 H new ATOM 0 HD3 LYS B 20 14.328 -5.630 -10.798 1.00 0.00 H new ATOM 0 HE2 LYS B 20 15.054 -3.597 -12.200 1.00 0.00 H new ATOM 0 HE3 LYS B 20 15.213 -2.725 -10.688 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 17.315 -3.679 -11.375 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 16.801 -4.395 -9.924 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 16.647 -5.240 -11.389 1.00 0.00 H new ATOM 1086 N GLU B 21 12.309 -3.460 -6.806 1.00 0.00 N ATOM 1087 CA GLU B 21 13.050 -3.940 -5.649 1.00 0.00 C ATOM 1088 C GLU B 21 12.144 -4.754 -4.730 1.00 0.00 C ATOM 1089 O GLU B 21 12.514 -5.840 -4.282 1.00 0.00 O ATOM 1090 CB GLU B 21 13.654 -2.764 -4.881 1.00 0.00 C ATOM 1091 CG GLU B 21 14.614 -3.188 -3.781 1.00 0.00 C ATOM 1092 CD GLU B 21 16.041 -3.328 -4.275 1.00 0.00 C ATOM 1093 OE1 GLU B 21 16.268 -4.118 -5.216 1.00 0.00 O ATOM 1094 OE2 GLU B 21 16.930 -2.649 -3.723 1.00 0.00 O ATOM 0 H GLU B 21 12.017 -2.485 -6.745 1.00 0.00 H new ATOM 0 HA GLU B 21 13.856 -4.584 -6.002 1.00 0.00 H new ATOM 0 HB2 GLU B 21 14.180 -2.115 -5.581 1.00 0.00 H new ATOM 0 HB3 GLU B 21 12.849 -2.174 -4.443 1.00 0.00 H new ATOM 0 HG2 GLU B 21 14.583 -2.456 -2.974 1.00 0.00 H new ATOM 0 HG3 GLU B 21 14.284 -4.138 -3.362 1.00 0.00 H new ATOM 1101 N LEU B 22 10.953 -4.227 -4.462 1.00 0.00 N ATOM 1102 CA LEU B 22 9.991 -4.911 -3.603 1.00 0.00 C ATOM 1103 C LEU B 22 9.461 -6.167 -4.287 1.00 0.00 C ATOM 1104 O LEU B 22 9.171 -7.168 -3.631 1.00 0.00 O ATOM 1105 CB LEU B 22 8.819 -3.984 -3.255 1.00 0.00 C ATOM 1106 CG LEU B 22 9.080 -2.941 -2.160 1.00 0.00 C ATOM 1107 CD1 LEU B 22 9.786 -3.559 -0.960 1.00 0.00 C ATOM 1108 CD2 LEU B 22 9.886 -1.777 -2.715 1.00 0.00 C ATOM 0 H LEU B 22 10.631 -3.330 -4.826 1.00 0.00 H new ATOM 0 HA LEU B 22 10.504 -5.194 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU B 22 8.516 -3.460 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU B 22 7.975 -4.601 -2.946 1.00 0.00 H new ATOM 0 HG LEU B 22 8.115 -2.566 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU B 22 9.956 -2.793 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU B 22 9.166 -4.352 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU B 22 10.743 -3.975 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU B 22 10.062 -1.047 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.842 -2.143 -3.091 1.00 0.00 H new ATOM 0 HD23 LEU B 22 9.333 -1.306 -3.528 1.00 0.00 H new ATOM 1120 N SER B 23 9.329 -6.105 -5.609 1.00 0.00 N ATOM 1121 CA SER B 23 8.822 -7.235 -6.383 1.00 0.00 C ATOM 1122 C SER B 23 9.888 -8.313 -6.551 1.00 0.00 C ATOM 1123 O SER B 23 9.586 -9.506 -6.511 1.00 0.00 O ATOM 1124 CB SER B 23 8.341 -6.759 -7.756 1.00 0.00 C ATOM 1125 OG SER B 23 7.110 -6.068 -7.653 1.00 0.00 O ATOM 0 H SER B 23 9.566 -5.285 -6.167 1.00 0.00 H new ATOM 0 HA SER B 23 7.984 -7.668 -5.837 1.00 0.00 H new ATOM 0 HB2 SER B 23 9.092 -6.106 -8.202 1.00 0.00 H new ATOM 0 HB3 SER B 23 8.227 -7.615 -8.422 1.00 0.00 H new ATOM 0 HG SER B 23 6.371 -6.711 -7.675 1.00 0.00 H new ATOM 1131 N HIS B 24 11.130 -7.889 -6.746 1.00 0.00 N ATOM 1132 CA HIS B 24 12.233 -8.823 -6.928 1.00 0.00 C ATOM 1133 C HIS B 24 12.708 -9.381 -5.587 1.00 0.00 C ATOM 1134 O HIS B 24 13.173 -10.517 -5.508 1.00 0.00 O ATOM 1135 CB HIS B 24 13.393 -8.133 -7.651 1.00 0.00 C ATOM 1136 CG HIS B 24 14.575 -9.023 -7.888 1.00 0.00 C ATOM 1137 ND1 HIS B 24 14.581 -9.956 -8.897 1.00 0.00 N ATOM 1138 CD2 HIS B 24 15.754 -9.083 -7.221 1.00 0.00 C ATOM 1139 CE1 HIS B 24 15.753 -10.558 -8.824 1.00 0.00 C ATOM 1140 NE2 HIS B 24 16.499 -10.062 -7.825 1.00 0.00 N ATOM 0 H HIS B 24 11.398 -6.906 -6.782 1.00 0.00 H new ATOM 0 HA HIS B 24 11.877 -9.655 -7.535 1.00 0.00 H new ATOM 0 HB2 HIS B 24 13.037 -7.754 -8.609 1.00 0.00 H new ATOM 0 HB3 HIS B 24 13.711 -7.270 -7.066 1.00 0.00 H new ATOM 0 HD2 HIS B 24 16.049 -8.477 -6.377 1.00 0.00 H new ATOM 0 HE1 HIS B 24 16.072 -11.350 -9.485 1.00 0.00 H new ATOM 0 HE2 HIS B 24 17.440 -10.357 -7.565 1.00 0.00 H new ATOM 1148 N LYS B 25 12.590 -8.576 -4.538 1.00 0.00 N ATOM 1149 CA LYS B 25 13.012 -8.992 -3.205 1.00 0.00 C ATOM 1150 C LYS B 25 11.958 -9.871 -2.535 1.00 0.00 C ATOM 1151 O LYS B 25 12.290 -10.849 -1.865 1.00 0.00 O ATOM 1152 CB LYS B 25 13.297 -7.770 -2.330 1.00 0.00 C ATOM 1153 CG LYS B 25 14.016 -8.108 -1.031 1.00 0.00 C ATOM 1154 CD LYS B 25 13.264 -7.590 0.187 1.00 0.00 C ATOM 1155 CE LYS B 25 14.130 -7.625 1.435 1.00 0.00 C ATOM 1156 NZ LYS B 25 14.085 -8.954 2.105 1.00 0.00 N ATOM 0 H LYS B 25 12.206 -7.632 -4.584 1.00 0.00 H new ATOM 0 HA LYS B 25 13.925 -9.577 -3.317 1.00 0.00 H new ATOM 0 HB2 LYS B 25 13.900 -7.060 -2.896 1.00 0.00 H new ATOM 0 HB3 LYS B 25 12.356 -7.273 -2.096 1.00 0.00 H new ATOM 0 HG2 LYS B 25 14.134 -9.189 -0.952 1.00 0.00 H new ATOM 0 HG3 LYS B 25 15.018 -7.679 -1.049 1.00 0.00 H new ATOM 0 HD2 LYS B 25 12.931 -6.568 0.003 1.00 0.00 H new ATOM 0 HD3 LYS B 25 12.370 -8.193 0.347 1.00 0.00 H new ATOM 0 HE2 LYS B 25 15.160 -7.387 1.169 1.00 0.00 H new ATOM 0 HE3 LYS B 25 13.795 -6.856 2.131 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 14.689 -8.937 2.952 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 13.106 -9.170 2.382 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 14.429 -9.685 1.450 1.00 0.00 H new ATOM 1170 N PHE B 26 10.690 -9.512 -2.709 1.00 0.00 N ATOM 1171 CA PHE B 26 9.595 -10.267 -2.106 1.00 0.00 C ATOM 1172 C PHE B 26 8.853 -11.137 -3.127 1.00 0.00 C ATOM 1173 O PHE B 26 7.924 -11.862 -2.766 1.00 0.00 O ATOM 1174 CB PHE B 26 8.619 -9.309 -1.421 1.00 0.00 C ATOM 1175 CG PHE B 26 9.241 -8.545 -0.288 1.00 0.00 C ATOM 1176 CD1 PHE B 26 9.256 -9.070 0.994 1.00 0.00 C ATOM 1177 CD2 PHE B 26 9.819 -7.305 -0.506 1.00 0.00 C ATOM 1178 CE1 PHE B 26 9.833 -8.373 2.038 1.00 0.00 C ATOM 1179 CE2 PHE B 26 10.399 -6.602 0.534 1.00 0.00 C ATOM 1180 CZ PHE B 26 10.406 -7.137 1.808 1.00 0.00 C ATOM 0 H PHE B 26 10.395 -8.706 -3.260 1.00 0.00 H new ATOM 0 HA PHE B 26 10.030 -10.940 -1.368 1.00 0.00 H new ATOM 0 HB2 PHE B 26 8.233 -8.604 -2.158 1.00 0.00 H new ATOM 0 HB3 PHE B 26 7.767 -9.875 -1.045 1.00 0.00 H new ATOM 0 HD1 PHE B 26 8.811 -10.036 1.180 1.00 0.00 H new ATOM 0 HD2 PHE B 26 9.817 -6.882 -1.500 1.00 0.00 H new ATOM 0 HE1 PHE B 26 9.836 -8.794 3.033 1.00 0.00 H new ATOM 0 HE2 PHE B 26 10.846 -5.636 0.351 1.00 0.00 H new ATOM 0 HZ PHE B 26 10.858 -6.590 2.622 1.00 0.00 H new ATOM 1190 N GLY B 27 9.266 -11.080 -4.392 1.00 0.00 N ATOM 1191 CA GLY B 27 8.627 -11.887 -5.419 1.00 0.00 C ATOM 1192 C GLY B 27 7.163 -11.544 -5.627 1.00 0.00 C ATOM 1193 O GLY B 27 6.348 -12.427 -5.897 1.00 0.00 O ATOM 0 H GLY B 27 10.030 -10.491 -4.723 1.00 0.00 H new ATOM 0 HA2 GLY B 27 9.161 -11.755 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY B 27 8.712 -12.940 -5.149 1.00 0.00 H new ATOM 1197 N ILE B 28 6.823 -10.263 -5.516 1.00 0.00 N ATOM 1198 CA ILE B 28 5.445 -9.824 -5.710 1.00 0.00 C ATOM 1199 C ILE B 28 5.286 -9.111 -7.052 1.00 0.00 C ATOM 1200 O ILE B 28 6.226 -8.488 -7.541 1.00 0.00 O ATOM 1201 CB ILE B 28 4.974 -8.876 -4.588 1.00 0.00 C ATOM 1202 CG1 ILE B 28 5.918 -7.679 -4.468 1.00 0.00 C ATOM 1203 CG2 ILE B 28 4.881 -9.619 -3.266 1.00 0.00 C ATOM 1204 CD1 ILE B 28 5.399 -6.591 -3.552 1.00 0.00 C ATOM 0 H ILE B 28 7.479 -9.514 -5.294 1.00 0.00 H new ATOM 0 HA ILE B 28 4.829 -10.723 -5.689 1.00 0.00 H new ATOM 0 HB ILE B 28 3.981 -8.506 -4.843 1.00 0.00 H new ATOM 0 HG12 ILE B 28 6.884 -8.024 -4.099 1.00 0.00 H new ATOM 0 HG13 ILE B 28 6.087 -7.259 -5.459 1.00 0.00 H new ATOM 0 HG21 ILE B 28 4.547 -8.934 -2.486 1.00 0.00 H new ATOM 0 HG22 ILE B 28 4.168 -10.439 -3.359 1.00 0.00 H new ATOM 0 HG23 ILE B 28 5.861 -10.018 -3.003 1.00 0.00 H new ATOM 0 HD11 ILE B 28 6.119 -5.773 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE B 28 4.447 -6.219 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE B 28 5.257 -6.996 -2.550 1.00 0.00 H new ATOM 1216 N PRO B 29 4.090 -9.184 -7.673 1.00 0.00 N ATOM 1217 CA PRO B 29 3.840 -8.530 -8.960 1.00 0.00 C ATOM 1218 C PRO B 29 4.139 -7.037 -8.905 1.00 0.00 C ATOM 1219 O PRO B 29 4.515 -6.508 -7.860 1.00 0.00 O ATOM 1220 CB PRO B 29 2.346 -8.765 -9.205 1.00 0.00 C ATOM 1221 CG PRO B 29 2.010 -9.965 -8.389 1.00 0.00 C ATOM 1222 CD PRO B 29 2.896 -9.899 -7.177 1.00 0.00 C ATOM 0 HA PRO B 29 4.477 -8.928 -9.750 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.755 -7.901 -8.900 1.00 0.00 H new ATOM 0 HB3 PRO B 29 2.141 -8.935 -10.262 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.958 -9.962 -8.104 1.00 0.00 H new ATOM 0 HG3 PRO B 29 2.185 -10.882 -8.952 1.00 0.00 H new ATOM 0 HD2 PRO B 29 2.418 -9.364 -6.357 1.00 0.00 H new ATOM 0 HD3 PRO B 29 3.146 -10.893 -6.806 1.00 0.00 H new ATOM 1230 N ASN B 30 3.971 -6.362 -10.036 1.00 0.00 N ATOM 1231 CA ASN B 30 4.221 -4.928 -10.108 1.00 0.00 C ATOM 1232 C ASN B 30 3.079 -4.146 -9.470 1.00 0.00 C ATOM 1233 O ASN B 30 3.288 -3.072 -8.908 1.00 0.00 O ATOM 1234 CB ASN B 30 4.409 -4.494 -11.562 1.00 0.00 C ATOM 1235 CG ASN B 30 5.636 -5.117 -12.196 1.00 0.00 C ATOM 1236 OD1 ASN B 30 5.546 -5.788 -13.223 1.00 0.00 O ATOM 1237 ND2 ASN B 30 6.793 -4.900 -11.582 1.00 0.00 N ATOM 0 H ASN B 30 3.664 -6.783 -10.913 1.00 0.00 H new ATOM 0 HA ASN B 30 5.135 -4.714 -9.555 1.00 0.00 H new ATOM 0 HB2 ASN B 30 3.526 -4.770 -12.138 1.00 0.00 H new ATOM 0 HB3 ASN B 30 4.492 -3.408 -11.607 1.00 0.00 H new ATOM 0 HD21 ASN B 30 7.653 -5.296 -11.960 1.00 0.00 H new ATOM 0 HD22 ASN B 30 6.822 -4.337 -10.732 1.00 0.00 H new ATOM 1244 N LEU B 31 1.871 -4.694 -9.560 1.00 0.00 N ATOM 1245 CA LEU B 31 0.700 -4.047 -8.987 1.00 0.00 C ATOM 1246 C LEU B 31 0.851 -3.897 -7.477 1.00 0.00 C ATOM 1247 O LEU B 31 0.822 -2.786 -6.950 1.00 0.00 O ATOM 1248 CB LEU B 31 -0.565 -4.845 -9.308 1.00 0.00 C ATOM 1249 CG LEU B 31 -1.865 -4.250 -8.761 1.00 0.00 C ATOM 1250 CD1 LEU B 31 -2.169 -2.922 -9.438 1.00 0.00 C ATOM 1251 CD2 LEU B 31 -3.019 -5.222 -8.946 1.00 0.00 C ATOM 0 H LEU B 31 1.680 -5.582 -10.023 1.00 0.00 H new ATOM 0 HA LEU B 31 0.612 -3.055 -9.429 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -0.653 -4.937 -10.391 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -0.450 -5.854 -8.911 1.00 0.00 H new ATOM 0 HG LEU B 31 -1.738 -4.071 -7.693 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -3.097 -2.513 -9.037 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -1.354 -2.223 -9.251 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -2.275 -3.077 -10.512 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -3.934 -4.780 -8.551 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -3.148 -5.436 -10.007 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -2.804 -6.148 -8.413 1.00 0.00 H new ATOM 1263 N VAL B 32 1.018 -5.023 -6.787 1.00 0.00 N ATOM 1264 CA VAL B 32 1.177 -5.018 -5.334 1.00 0.00 C ATOM 1265 C VAL B 32 2.354 -4.147 -4.908 1.00 0.00 C ATOM 1266 O VAL B 32 2.236 -3.337 -3.990 1.00 0.00 O ATOM 1267 CB VAL B 32 1.381 -6.443 -4.779 1.00 0.00 C ATOM 1268 CG1 VAL B 32 1.281 -6.441 -3.261 1.00 0.00 C ATOM 1269 CG2 VAL B 32 0.370 -7.405 -5.384 1.00 0.00 C ATOM 0 H VAL B 32 1.047 -5.951 -7.210 1.00 0.00 H new ATOM 0 HA VAL B 32 0.256 -4.606 -4.923 1.00 0.00 H new ATOM 0 HB VAL B 32 2.379 -6.781 -5.057 1.00 0.00 H new ATOM 0 HG11 VAL B 32 1.427 -7.454 -2.885 1.00 0.00 H new ATOM 0 HG12 VAL B 32 2.048 -5.786 -2.847 1.00 0.00 H new ATOM 0 HG13 VAL B 32 0.296 -6.082 -2.962 1.00 0.00 H new ATOM 0 HG21 VAL B 32 0.531 -8.404 -4.979 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -0.639 -7.073 -5.140 1.00 0.00 H new ATOM 0 HG23 VAL B 32 0.492 -7.428 -6.467 1.00 0.00 H new ATOM 1279 N ALA B 33 3.490 -4.313 -5.581 1.00 0.00 N ATOM 1280 CA ALA B 33 4.675 -3.529 -5.266 1.00 0.00 C ATOM 1281 C ALA B 33 4.412 -2.047 -5.491 1.00 0.00 C ATOM 1282 O ALA B 33 4.940 -1.195 -4.777 1.00 0.00 O ATOM 1283 CB ALA B 33 5.858 -3.990 -6.103 1.00 0.00 C ATOM 0 H ALA B 33 3.612 -4.980 -6.343 1.00 0.00 H new ATOM 0 HA ALA B 33 4.916 -3.681 -4.214 1.00 0.00 H new ATOM 0 HB1 ALA B 33 6.735 -3.392 -5.854 1.00 0.00 H new ATOM 0 HB2 ALA B 33 6.063 -5.040 -5.895 1.00 0.00 H new ATOM 0 HB3 ALA B 33 5.625 -3.868 -7.161 1.00 0.00 H new ATOM 1289 N ARG B 34 3.582 -1.749 -6.487 1.00 0.00 N ATOM 1290 CA ARG B 34 3.234 -0.371 -6.808 1.00 0.00 C ATOM 1291 C ARG B 34 2.445 0.264 -5.663 1.00 0.00 C ATOM 1292 O ARG B 34 2.634 1.436 -5.344 1.00 0.00 O ATOM 1293 CB ARG B 34 2.420 -0.319 -8.107 1.00 0.00 C ATOM 1294 CG ARG B 34 3.237 0.099 -9.318 1.00 0.00 C ATOM 1295 CD ARG B 34 2.542 -0.272 -10.618 1.00 0.00 C ATOM 1296 NE ARG B 34 3.407 -0.064 -11.778 1.00 0.00 N ATOM 1297 CZ ARG B 34 3.022 -0.251 -13.041 1.00 0.00 C ATOM 1298 NH1 ARG B 34 1.779 -0.634 -13.322 1.00 0.00 N ATOM 1299 NH2 ARG B 34 3.884 -0.051 -14.029 1.00 0.00 N ATOM 0 H ARG B 34 3.138 -2.446 -7.086 1.00 0.00 H new ATOM 0 HA ARG B 34 4.155 0.195 -6.948 1.00 0.00 H new ATOM 0 HB2 ARG B 34 1.985 -1.301 -8.293 1.00 0.00 H new ATOM 0 HB3 ARG B 34 1.591 0.378 -7.980 1.00 0.00 H new ATOM 0 HG2 ARG B 34 3.406 1.175 -9.290 1.00 0.00 H new ATOM 0 HG3 ARG B 34 4.216 -0.378 -9.279 1.00 0.00 H new ATOM 0 HD2 ARG B 34 2.232 -1.316 -10.579 1.00 0.00 H new ATOM 0 HD3 ARG B 34 1.637 0.325 -10.729 1.00 0.00 H new ATOM 0 HE ARG B 34 4.365 0.243 -11.611 1.00 0.00 H new ATOM 0 HH11 ARG B 34 1.110 -0.788 -12.568 1.00 0.00 H new ATOM 0 HH12 ARG B 34 1.495 -0.774 -14.292 1.00 0.00 H new ATOM 0 HH21 ARG B 34 4.838 0.245 -13.822 1.00 0.00 H new ATOM 0 HH22 ARG B 34 3.593 -0.193 -14.996 1.00 0.00 H new ATOM 1313 N GLN B 35 1.563 -0.522 -5.050 1.00 0.00 N ATOM 1314 CA GLN B 35 0.747 -0.038 -3.940 1.00 0.00 C ATOM 1315 C GLN B 35 1.623 0.484 -2.805 1.00 0.00 C ATOM 1316 O GLN B 35 1.240 1.404 -2.085 1.00 0.00 O ATOM 1317 CB GLN B 35 -0.167 -1.155 -3.422 1.00 0.00 C ATOM 1318 CG GLN B 35 -1.016 -1.812 -4.501 1.00 0.00 C ATOM 1319 CD GLN B 35 -1.736 -0.811 -5.386 1.00 0.00 C ATOM 1320 OE1 GLN B 35 -1.955 0.335 -4.995 1.00 0.00 O ATOM 1321 NE2 GLN B 35 -2.105 -1.243 -6.587 1.00 0.00 N ATOM 0 H GLN B 35 1.395 -1.496 -5.303 1.00 0.00 H new ATOM 0 HA GLN B 35 0.132 0.784 -4.308 1.00 0.00 H new ATOM 0 HB2 GLN B 35 0.446 -1.918 -2.942 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -0.825 -0.746 -2.656 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -0.380 -2.444 -5.121 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -1.751 -2.465 -4.029 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -1.902 -2.202 -6.869 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -2.591 -0.615 -7.228 1.00 0.00 H new ATOM 1330 N ILE B 36 2.806 -0.106 -2.658 1.00 0.00 N ATOM 1331 CA ILE B 36 3.740 0.303 -1.617 1.00 0.00 C ATOM 1332 C ILE B 36 4.323 1.676 -1.926 1.00 0.00 C ATOM 1333 O ILE B 36 4.265 2.588 -1.100 1.00 0.00 O ATOM 1334 CB ILE B 36 4.888 -0.717 -1.462 1.00 0.00 C ATOM 1335 CG1 ILE B 36 4.323 -2.126 -1.280 1.00 0.00 C ATOM 1336 CG2 ILE B 36 5.782 -0.343 -0.286 1.00 0.00 C ATOM 1337 CD1 ILE B 36 5.384 -3.200 -1.206 1.00 0.00 C ATOM 0 H ILE B 36 3.139 -0.869 -3.247 1.00 0.00 H new ATOM 0 HA ILE B 36 3.184 0.349 -0.681 1.00 0.00 H new ATOM 0 HB ILE B 36 5.492 -0.699 -2.369 1.00 0.00 H new ATOM 0 HG12 ILE B 36 3.726 -2.154 -0.368 1.00 0.00 H new ATOM 0 HG13 ILE B 36 3.650 -2.348 -2.108 1.00 0.00 H new ATOM 0 HG21 ILE B 36 6.585 -1.074 -0.193 1.00 0.00 H new ATOM 0 HG22 ILE B 36 6.209 0.646 -0.453 1.00 0.00 H new ATOM 0 HG23 ILE B 36 5.192 -0.333 0.631 1.00 0.00 H new ATOM 0 HD11 ILE B 36 4.909 -4.172 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE B 36 5.966 -3.200 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE B 36 6.043 -3.003 -0.360 1.00 0.00 H new ATOM 1349 N VAL B 37 4.878 1.822 -3.125 1.00 0.00 N ATOM 1350 CA VAL B 37 5.462 3.088 -3.545 1.00 0.00 C ATOM 1351 C VAL B 37 4.377 4.147 -3.704 1.00 0.00 C ATOM 1352 O VAL B 37 4.578 5.314 -3.365 1.00 0.00 O ATOM 1353 CB VAL B 37 6.230 2.941 -4.876 1.00 0.00 C ATOM 1354 CG1 VAL B 37 6.919 4.245 -5.251 1.00 0.00 C ATOM 1355 CG2 VAL B 37 7.238 1.805 -4.786 1.00 0.00 C ATOM 0 H VAL B 37 4.935 1.079 -3.821 1.00 0.00 H new ATOM 0 HA VAL B 37 6.165 3.396 -2.771 1.00 0.00 H new ATOM 0 HB VAL B 37 5.512 2.702 -5.660 1.00 0.00 H new ATOM 0 HG11 VAL B 37 7.454 4.117 -6.192 1.00 0.00 H new ATOM 0 HG12 VAL B 37 6.173 5.032 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL B 37 7.625 4.522 -4.468 1.00 0.00 H new ATOM 0 HG21 VAL B 37 7.771 1.715 -5.733 1.00 0.00 H new ATOM 0 HG22 VAL B 37 7.950 2.013 -3.987 1.00 0.00 H new ATOM 0 HG23 VAL B 37 6.716 0.872 -4.573 1.00 0.00 H new ATOM 1365 N ASN B 38 3.224 3.730 -4.217 1.00 0.00 N ATOM 1366 CA ASN B 38 2.104 4.639 -4.416 1.00 0.00 C ATOM 1367 C ASN B 38 1.604 5.169 -3.078 1.00 0.00 C ATOM 1368 O ASN B 38 1.184 6.322 -2.973 1.00 0.00 O ATOM 1369 CB ASN B 38 0.966 3.934 -5.159 1.00 0.00 C ATOM 1370 CG ASN B 38 0.095 4.904 -5.934 1.00 0.00 C ATOM 1371 OD1 ASN B 38 -0.537 5.789 -5.353 1.00 0.00 O ATOM 1372 ND2 ASN B 38 0.060 4.747 -7.251 1.00 0.00 N ATOM 0 H ASN B 38 3.042 2.768 -4.502 1.00 0.00 H new ATOM 0 HA ASN B 38 2.449 5.479 -5.020 1.00 0.00 H new ATOM 0 HB2 ASN B 38 1.385 3.198 -5.845 1.00 0.00 H new ATOM 0 HB3 ASN B 38 0.351 3.389 -4.443 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -0.506 5.373 -7.824 1.00 0.00 H new ATOM 0 HD22 ASN B 38 0.599 4.001 -7.690 1.00 0.00 H new ATOM 1379 N SER B 39 1.657 4.322 -2.053 1.00 0.00 N ATOM 1380 CA SER B 39 1.215 4.711 -0.721 1.00 0.00 C ATOM 1381 C SER B 39 2.170 5.735 -0.117 1.00 0.00 C ATOM 1382 O SER B 39 1.763 6.595 0.664 1.00 0.00 O ATOM 1383 CB SER B 39 1.123 3.485 0.189 1.00 0.00 C ATOM 1384 OG SER B 39 -0.021 2.707 -0.118 1.00 0.00 O ATOM 0 H SER B 39 2.001 3.364 -2.121 1.00 0.00 H new ATOM 0 HA SER B 39 0.227 5.162 -0.808 1.00 0.00 H new ATOM 0 HB2 SER B 39 2.021 2.877 0.077 1.00 0.00 H new ATOM 0 HB3 SER B 39 1.081 3.804 1.231 1.00 0.00 H new ATOM 0 HG SER B 39 0.180 2.113 -0.871 1.00 0.00 H new ATOM 1390 N CYS B 40 3.445 5.638 -0.486 1.00 0.00 N ATOM 1391 CA CYS B 40 4.457 6.556 0.016 1.00 0.00 C ATOM 1392 C CYS B 40 4.231 7.962 -0.529 1.00 0.00 C ATOM 1393 O CYS B 40 4.182 8.169 -1.743 1.00 0.00 O ATOM 1394 CB CYS B 40 5.856 6.066 -0.362 1.00 0.00 C ATOM 1395 SG CYS B 40 7.193 7.044 0.362 1.00 0.00 S ATOM 0 H CYS B 40 3.799 4.932 -1.131 1.00 0.00 H new ATOM 0 HA CYS B 40 4.376 6.589 1.102 1.00 0.00 H new ATOM 0 HB2 CYS B 40 5.965 5.029 -0.046 1.00 0.00 H new ATOM 0 HB3 CYS B 40 5.955 6.080 -1.447 1.00 0.00 H new ATOM 0 HG CYS B 40 8.170 7.141 -0.490 1.00 0.00 H new ATOM 1400 N ALA B 41 4.091 8.929 0.375 1.00 0.00 N ATOM 1401 CA ALA B 41 3.866 10.315 -0.017 1.00 0.00 C ATOM 1402 C ALA B 41 5.159 10.968 -0.494 1.00 0.00 C ATOM 1403 O ALA B 41 5.168 11.695 -1.486 1.00 0.00 O ATOM 1404 CB ALA B 41 3.273 11.102 1.143 1.00 0.00 C ATOM 0 H ALA B 41 4.130 8.777 1.383 1.00 0.00 H new ATOM 0 HA ALA B 41 3.159 10.321 -0.846 1.00 0.00 H new ATOM 0 HB1 ALA B 41 3.110 12.135 0.836 1.00 0.00 H new ATOM 0 HB2 ALA B 41 2.322 10.657 1.437 1.00 0.00 H new ATOM 0 HB3 ALA B 41 3.961 11.079 1.988 1.00 0.00 H new ATOM 1410 N GLN B 42 6.249 10.705 0.220 1.00 0.00 N ATOM 1411 CA GLN B 42 7.548 11.267 -0.133 1.00 0.00 C ATOM 1412 C GLN B 42 7.968 10.830 -1.532 1.00 0.00 C ATOM 1413 O GLN B 42 8.667 11.557 -2.238 1.00 0.00 O ATOM 1414 CB GLN B 42 8.606 10.837 0.886 1.00 0.00 C ATOM 1415 CG GLN B 42 8.204 11.097 2.327 1.00 0.00 C ATOM 1416 CD GLN B 42 9.336 10.843 3.303 1.00 0.00 C ATOM 1417 OE1 GLN B 42 10.502 11.093 2.998 1.00 0.00 O ATOM 1418 NE2 GLN B 42 8.996 10.346 4.487 1.00 0.00 N ATOM 0 H GLN B 42 6.259 10.107 1.046 1.00 0.00 H new ATOM 0 HA GLN B 42 7.461 12.353 -0.122 1.00 0.00 H new ATOM 0 HB2 GLN B 42 8.808 9.773 0.760 1.00 0.00 H new ATOM 0 HB3 GLN B 42 9.536 11.365 0.676 1.00 0.00 H new ATOM 0 HG2 GLN B 42 7.869 12.129 2.426 1.00 0.00 H new ATOM 0 HG3 GLN B 42 7.357 10.461 2.585 1.00 0.00 H new ATOM 0 HE21 GLN B 42 8.017 10.154 4.697 1.00 0.00 H new ATOM 0 HE22 GLN B 42 9.714 10.157 5.186 1.00 0.00 H new ATOM 1427 N CYS B 43 7.535 9.637 -1.929 1.00 0.00 N ATOM 1428 CA CYS B 43 7.863 9.102 -3.244 1.00 0.00 C ATOM 1429 C CYS B 43 6.808 9.490 -4.276 1.00 0.00 C ATOM 1430 O CYS B 43 7.105 9.619 -5.464 1.00 0.00 O ATOM 1431 CB CYS B 43 7.995 7.579 -3.179 1.00 0.00 C ATOM 1432 SG CYS B 43 9.588 7.001 -2.545 1.00 0.00 S ATOM 0 H CYS B 43 6.955 9.023 -1.357 1.00 0.00 H new ATOM 0 HA CYS B 43 8.816 9.531 -3.553 1.00 0.00 H new ATOM 0 HB2 CYS B 43 7.200 7.183 -2.548 1.00 0.00 H new ATOM 0 HB3 CYS B 43 7.843 7.169 -4.178 1.00 0.00 H new ATOM 0 HG CYS B 43 9.397 5.998 -1.741 1.00 0.00 H new ATOM 1437 N GLN B 44 5.572 9.678 -3.817 1.00 0.00 N ATOM 1438 CA GLN B 44 4.476 10.050 -4.702 1.00 0.00 C ATOM 1439 C GLN B 44 4.701 11.444 -5.289 1.00 0.00 C ATOM 1440 O GLN B 44 4.880 11.595 -6.497 1.00 0.00 O ATOM 1441 CB GLN B 44 3.143 10.001 -3.945 1.00 0.00 C ATOM 1442 CG GLN B 44 2.273 8.816 -4.328 1.00 0.00 C ATOM 1443 CD GLN B 44 0.864 8.927 -3.776 1.00 0.00 C ATOM 1444 OE1 GLN B 44 -0.114 8.842 -4.518 1.00 0.00 O ATOM 1445 NE2 GLN B 44 0.758 9.120 -2.467 1.00 0.00 N ATOM 0 H GLN B 44 5.307 9.578 -2.837 1.00 0.00 H new ATOM 0 HA GLN B 44 4.441 9.335 -5.524 1.00 0.00 H new ATOM 0 HB2 GLN B 44 3.343 9.964 -2.874 1.00 0.00 H new ATOM 0 HB3 GLN B 44 2.592 10.922 -4.134 1.00 0.00 H new ATOM 0 HG2 GLN B 44 2.229 8.738 -5.414 1.00 0.00 H new ATOM 0 HG3 GLN B 44 2.732 7.898 -3.961 1.00 0.00 H new ATOM 0 HE21 GLN B 44 1.598 9.184 -1.891 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -0.163 9.204 -2.037 1.00 0.00 H new