USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=12 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 Set 1.1: A 21 GLN : amide:sc= -0.471 K(o=-0.97,f=-3.1!) USER MOD Set 1.2: B 21 GLN : amide:sc= -0.501 K(o=-0.97,f=-3.1!) USER MOD Set 2.1: B 19 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 23 HIS : no HE2:sc= -0.324 K(o=-2,f=-3.4) USER MOD Set 2.3: B 24 ASN : amide:sc= -1.63 K(o=-2,f=-3.3) USER MOD Set 3.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 23 HIS : no HE2:sc= -0.313 K(o=-2,f=-3.4) USER MOD Set 3.3: A 24 ASN : amide:sc= -1.65 K(o=-2,f=-3.4) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.15) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -43:sc= -3.2 USER MOD Single : A 35 GLN : amide:sc= -0.161 K(o=-0.16,f=-2.2!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -134:sc= -0.626 (180deg=-3.39!) USER MOD Single : A 51 TYR OH : rot 147:sc= -1.55! 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 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.18) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot -44:sc= -3 USER MOD Single : B 35 GLN : amide:sc= -0.122 K(o=-0.12,f=-2!) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 MET CE :methyl -133:sc= -0.781 (180deg=-3.65!) USER MOD Single : B 51 TYR OH : rot 147:sc= -1.56! 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 -15.578 12.504 9.853 1.00 0.00 N ATOM 73 CA CYS A 16 -14.346 11.989 9.187 1.00 0.00 C ATOM 74 C CYS A 16 -13.139 12.849 9.572 1.00 0.00 C ATOM 75 O CYS A 16 -12.006 12.411 9.510 1.00 0.00 O ATOM 76 CB CYS A 16 -14.628 12.101 7.688 1.00 0.00 C ATOM 77 SG CYS A 16 -15.163 10.492 7.055 1.00 0.00 S ATOM 0 HA CYS A 16 -14.114 10.966 9.482 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -15.399 12.850 7.507 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -13.732 12.432 7.162 1.00 0.00 H new ATOM 82 N GLU A 17 -13.372 14.070 9.972 1.00 0.00 N ATOM 83 CA GLU A 17 -12.241 14.958 10.362 1.00 0.00 C ATOM 84 C GLU A 17 -11.661 14.518 11.712 1.00 0.00 C ATOM 85 O GLU A 17 -10.554 14.872 12.067 1.00 0.00 O ATOM 86 CB GLU A 17 -12.851 16.355 10.469 1.00 0.00 C ATOM 87 CG GLU A 17 -11.904 17.378 9.837 1.00 0.00 C ATOM 88 CD GLU A 17 -12.499 18.782 9.979 1.00 0.00 C ATOM 89 OE1 GLU A 17 -12.977 19.093 11.057 1.00 0.00 O ATOM 90 OE2 GLU A 17 -12.465 19.518 9.008 1.00 0.00 O ATOM 0 H GLU A 17 -14.298 14.491 10.045 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.424 14.925 9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.818 16.380 9.966 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.029 16.606 11.515 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.929 17.334 10.322 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.748 17.143 8.784 1.00 0.00 H new ATOM 97 N LEU A 18 -12.402 13.754 12.468 1.00 0.00 N ATOM 98 CA LEU A 18 -11.893 13.296 13.793 1.00 0.00 C ATOM 99 C LEU A 18 -11.087 12.003 13.637 1.00 0.00 C ATOM 100 O LEU A 18 -9.972 11.894 14.109 1.00 0.00 O ATOM 101 CB LEU A 18 -13.149 13.044 14.631 1.00 0.00 C ATOM 102 CG LEU A 18 -12.815 13.206 16.116 1.00 0.00 C ATOM 103 CD1 LEU A 18 -12.421 14.658 16.397 1.00 0.00 C ATOM 104 CD2 LEU A 18 -14.039 12.840 16.958 1.00 0.00 C ATOM 0 H LEU A 18 -13.337 13.427 12.226 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.230 14.028 14.255 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.935 13.743 14.346 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.530 12.041 14.441 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.985 12.548 16.374 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.183 14.772 17.455 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.549 14.921 15.799 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.250 15.317 16.138 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.801 12.955 18.015 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -14.869 13.498 16.699 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -14.321 11.806 16.760 1.00 0.00 H new ATOM 116 N TYR A 19 -11.643 11.022 12.980 1.00 0.00 N ATOM 117 CA TYR A 19 -10.910 9.734 12.798 1.00 0.00 C ATOM 118 C TYR A 19 -10.010 9.802 11.564 1.00 0.00 C ATOM 119 O TYR A 19 -10.053 8.947 10.702 1.00 0.00 O ATOM 120 CB TYR A 19 -11.998 8.694 12.591 1.00 0.00 C ATOM 121 CG TYR A 19 -11.763 7.526 13.519 1.00 0.00 C ATOM 122 CD1 TYR A 19 -12.216 7.585 14.856 1.00 0.00 C ATOM 123 CD2 TYR A 19 -11.088 6.377 13.053 1.00 0.00 C ATOM 124 CE1 TYR A 19 -11.994 6.495 15.726 1.00 0.00 C ATOM 125 CE2 TYR A 19 -10.867 5.285 13.923 1.00 0.00 C ATOM 126 CZ TYR A 19 -11.320 5.345 15.260 1.00 0.00 C ATOM 127 OH TYR A 19 -11.103 4.279 16.109 1.00 0.00 O ATOM 0 H TYR A 19 -12.572 11.055 12.561 1.00 0.00 H new ATOM 0 HA TYR A 19 -10.269 9.503 13.649 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.977 9.133 12.783 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.999 8.355 11.555 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.732 8.464 15.213 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.740 6.332 12.031 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.340 6.541 16.748 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.352 4.405 13.566 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.627 3.570 15.629 1.00 0.00 H new ATOM 137 N VAL A 20 -9.197 10.809 11.478 1.00 0.00 N ATOM 138 CA VAL A 20 -8.289 10.939 10.309 1.00 0.00 C ATOM 139 C VAL A 20 -6.981 10.180 10.585 1.00 0.00 C ATOM 140 O VAL A 20 -7.001 9.023 10.951 1.00 0.00 O ATOM 141 CB VAL A 20 -8.061 12.446 10.163 1.00 0.00 C ATOM 142 CG1 VAL A 20 -9.397 13.145 9.904 1.00 0.00 C ATOM 143 CG2 VAL A 20 -7.438 13.000 11.447 1.00 0.00 C ATOM 0 H VAL A 20 -9.120 11.554 12.171 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.698 10.515 9.392 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.387 12.627 9.326 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.232 14.218 9.800 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.840 12.756 8.987 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.072 12.961 10.740 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.277 14.073 11.340 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.109 12.816 12.286 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.484 12.506 11.631 1.00 0.00 H new ATOM 153 N GLN A 21 -5.847 10.807 10.415 1.00 0.00 N ATOM 154 CA GLN A 21 -4.561 10.095 10.673 1.00 0.00 C ATOM 155 C GLN A 21 -4.127 10.286 12.128 1.00 0.00 C ATOM 156 O GLN A 21 -3.813 9.338 12.820 1.00 0.00 O ATOM 157 CB GLN A 21 -3.552 10.743 9.723 1.00 0.00 C ATOM 158 CG GLN A 21 -3.616 10.049 8.361 1.00 0.00 C ATOM 159 CD GLN A 21 -2.196 9.846 7.827 1.00 0.00 C ATOM 160 OE1 GLN A 21 -1.807 8.739 7.513 1.00 0.00 O ATOM 161 NE2 GLN A 21 -1.404 10.875 7.710 1.00 0.00 N ATOM 0 H GLN A 21 -5.755 11.776 10.110 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.646 9.021 10.509 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.770 11.805 9.613 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.546 10.666 10.136 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.122 9.088 8.453 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.197 10.650 7.661 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.732 11.804 7.974 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.456 10.751 7.354 1.00 0.00 H new ATOM 170 N LYS A 22 -4.101 11.503 12.597 1.00 0.00 N ATOM 171 CA LYS A 22 -3.685 11.753 14.007 1.00 0.00 C ATOM 172 C LYS A 22 -4.748 11.228 14.973 1.00 0.00 C ATOM 173 O LYS A 22 -5.352 11.977 15.716 1.00 0.00 O ATOM 174 CB LYS A 22 -3.563 13.275 14.119 1.00 0.00 C ATOM 175 CG LYS A 22 -2.409 13.628 15.060 1.00 0.00 C ATOM 176 CD LYS A 22 -2.223 15.146 15.091 1.00 0.00 C ATOM 177 CE LYS A 22 -0.778 15.481 15.466 1.00 0.00 C ATOM 178 NZ LYS A 22 -0.634 16.936 15.183 1.00 0.00 N ATOM 0 H LYS A 22 -4.350 12.337 12.064 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.752 11.249 14.258 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.389 13.710 13.135 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.495 13.698 14.494 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.617 13.256 16.063 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.491 13.145 14.724 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.464 15.572 14.117 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.909 15.591 15.812 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.582 15.262 16.515 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.072 14.893 14.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.333 17.241 15.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.820 17.114 14.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.314 17.471 15.760 1.00 0.00 H new ATOM 192 N HIS A 23 -4.982 9.944 14.969 1.00 0.00 N ATOM 193 CA HIS A 23 -6.008 9.372 15.889 1.00 0.00 C ATOM 194 C HIS A 23 -5.890 7.845 15.942 1.00 0.00 C ATOM 195 O HIS A 23 -6.083 7.237 16.975 1.00 0.00 O ATOM 196 CB HIS A 23 -7.351 9.787 15.287 1.00 0.00 C ATOM 197 CG HIS A 23 -8.344 10.021 16.393 1.00 0.00 C ATOM 198 ND1 HIS A 23 -9.006 11.229 16.549 1.00 0.00 N ATOM 199 CD2 HIS A 23 -8.796 9.215 17.409 1.00 0.00 C ATOM 200 CE1 HIS A 23 -9.812 11.116 17.619 1.00 0.00 C ATOM 201 NE2 HIS A 23 -9.722 9.908 18.181 1.00 0.00 N ATOM 0 H HIS A 23 -4.509 9.267 14.370 1.00 0.00 H new ATOM 0 HA HIS A 23 -5.889 9.730 16.912 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.231 10.693 14.693 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -7.716 9.011 14.614 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -8.901 12.054 15.959 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.480 8.197 17.582 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.454 11.906 17.980 1.00 0.00 H new ATOM 209 N ASN A 24 -5.585 7.216 14.837 1.00 0.00 N ATOM 210 CA ASN A 24 -5.468 5.730 14.838 1.00 0.00 C ATOM 211 C ASN A 24 -4.453 5.265 13.789 1.00 0.00 C ATOM 212 O ASN A 24 -3.654 4.384 14.033 1.00 0.00 O ATOM 213 CB ASN A 24 -6.868 5.229 14.486 1.00 0.00 C ATOM 214 CG ASN A 24 -7.808 5.477 15.669 1.00 0.00 C ATOM 215 OD1 ASN A 24 -8.480 6.487 15.723 1.00 0.00 O ATOM 216 ND2 ASN A 24 -7.882 4.591 16.624 1.00 0.00 N ATOM 0 H ASN A 24 -5.413 7.666 13.938 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.120 5.347 15.797 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.238 5.743 13.599 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.837 4.166 14.248 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.505 4.746 17.417 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.317 3.743 16.578 1.00 0.00 H new ATOM 223 N ILE A 25 -4.485 5.845 12.624 1.00 0.00 N ATOM 224 CA ILE A 25 -3.528 5.433 11.554 1.00 0.00 C ATOM 225 C ILE A 25 -2.133 6.013 11.819 1.00 0.00 C ATOM 226 O ILE A 25 -1.162 5.610 11.211 1.00 0.00 O ATOM 227 CB ILE A 25 -4.108 6.007 10.264 1.00 0.00 C ATOM 228 CG1 ILE A 25 -5.516 5.445 10.046 1.00 0.00 C ATOM 229 CG2 ILE A 25 -3.219 5.616 9.083 1.00 0.00 C ATOM 230 CD1 ILE A 25 -6.260 6.315 9.032 1.00 0.00 C ATOM 0 H ILE A 25 -5.133 6.588 12.363 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.411 4.350 11.508 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.154 7.093 10.340 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.458 4.418 9.686 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.060 5.422 10.990 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.635 6.027 8.163 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.215 6.012 9.236 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.172 4.530 9.007 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.262 5.916 8.876 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.330 7.335 9.410 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.718 6.315 8.086 1.00 0.00 H new ATOM 242 N GLN A 26 -2.023 6.953 12.718 1.00 0.00 N ATOM 243 CA GLN A 26 -0.687 7.552 13.007 1.00 0.00 C ATOM 244 C GLN A 26 0.231 6.531 13.690 1.00 0.00 C ATOM 245 O GLN A 26 1.412 6.767 13.857 1.00 0.00 O ATOM 246 CB GLN A 26 -0.972 8.724 13.948 1.00 0.00 C ATOM 247 CG GLN A 26 -0.295 9.987 13.412 1.00 0.00 C ATOM 248 CD GLN A 26 1.214 9.748 13.302 1.00 0.00 C ATOM 249 OE1 GLN A 26 1.756 9.709 12.216 1.00 0.00 O ATOM 250 NE2 GLN A 26 1.917 9.589 14.389 1.00 0.00 N ATOM 0 H GLN A 26 -2.797 7.332 13.264 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.179 7.868 12.096 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.047 8.883 14.032 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.604 8.498 14.949 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.705 10.247 12.436 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.494 10.829 14.075 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.461 9.622 15.301 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.923 9.432 14.327 1.00 0.00 H new ATOM 259 N ALA A 27 -0.293 5.404 14.089 1.00 0.00 N ATOM 260 CA ALA A 27 0.560 4.383 14.763 1.00 0.00 C ATOM 261 C ALA A 27 1.401 3.623 13.733 1.00 0.00 C ATOM 262 O ALA A 27 2.600 3.491 13.874 1.00 0.00 O ATOM 263 CB ALA A 27 -0.424 3.436 15.453 1.00 0.00 C ATOM 0 H ALA A 27 -1.274 5.146 13.978 1.00 0.00 H new ATOM 0 HA ALA A 27 1.258 4.834 15.469 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.128 2.653 15.973 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.024 3.995 16.171 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.078 2.984 14.707 1.00 0.00 H new ATOM 269 N LEU A 28 0.782 3.119 12.700 1.00 0.00 N ATOM 270 CA LEU A 28 1.549 2.365 11.667 1.00 0.00 C ATOM 271 C LEU A 28 2.237 3.333 10.698 1.00 0.00 C ATOM 272 O LEU A 28 3.171 2.973 10.011 1.00 0.00 O ATOM 273 CB LEU A 28 0.502 1.521 10.935 1.00 0.00 C ATOM 274 CG LEU A 28 -0.495 2.440 10.222 1.00 0.00 C ATOM 275 CD1 LEU A 28 -0.244 2.391 8.715 1.00 0.00 C ATOM 276 CD2 LEU A 28 -1.920 1.969 10.517 1.00 0.00 C ATOM 0 H LEU A 28 -0.220 3.196 12.527 1.00 0.00 H new ATOM 0 HA LEU A 28 2.335 1.750 12.105 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.989 0.866 10.212 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.022 0.880 11.643 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.368 3.462 10.578 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.953 3.045 8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.772 2.724 8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.372 1.369 8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.631 2.622 10.011 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.047 0.947 10.159 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.099 2.002 11.592 1.00 0.00 H new ATOM 288 N LEU A 29 1.782 4.553 10.634 1.00 0.00 N ATOM 289 CA LEU A 29 2.413 5.536 9.703 1.00 0.00 C ATOM 290 C LEU A 29 3.738 6.047 10.276 1.00 0.00 C ATOM 291 O LEU A 29 4.716 6.186 9.572 1.00 0.00 O ATOM 292 CB LEU A 29 1.404 6.680 9.587 1.00 0.00 C ATOM 293 CG LEU A 29 0.831 6.717 8.170 1.00 0.00 C ATOM 294 CD1 LEU A 29 1.961 6.959 7.166 1.00 0.00 C ATOM 295 CD2 LEU A 29 0.152 5.381 7.859 1.00 0.00 C ATOM 0 H LEU A 29 1.002 4.914 11.184 1.00 0.00 H new ATOM 0 HA LEU A 29 2.641 5.091 8.734 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.601 6.545 10.311 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.887 7.629 9.820 1.00 0.00 H new ATOM 0 HG LEU A 29 0.101 7.523 8.096 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.551 6.985 6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.445 7.910 7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.692 6.154 7.240 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.257 5.407 6.849 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.882 4.575 7.934 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.654 5.208 8.572 1.00 0.00 H new ATOM 307 N LYS A 30 3.779 6.330 11.549 1.00 0.00 N ATOM 308 CA LYS A 30 5.042 6.836 12.159 1.00 0.00 C ATOM 309 C LYS A 30 6.210 5.906 11.814 1.00 0.00 C ATOM 310 O LYS A 30 7.250 6.344 11.360 1.00 0.00 O ATOM 311 CB LYS A 30 4.783 6.835 13.667 1.00 0.00 C ATOM 312 CG LYS A 30 5.879 7.632 14.374 1.00 0.00 C ATOM 313 CD LYS A 30 5.417 7.994 15.787 1.00 0.00 C ATOM 314 CE LYS A 30 5.263 6.720 16.619 1.00 0.00 C ATOM 315 NZ LYS A 30 4.121 6.993 17.535 1.00 0.00 N ATOM 0 H LYS A 30 2.994 6.233 12.193 1.00 0.00 H new ATOM 0 HA LYS A 30 5.308 7.827 11.791 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.807 7.271 13.879 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.763 5.812 14.042 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.797 7.047 14.419 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.106 8.537 13.811 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.139 8.662 16.257 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.468 8.529 15.744 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.062 5.856 15.985 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.173 6.501 17.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.954 6.163 18.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.343 7.816 18.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.267 7.191 16.976 1.00 0.00 H new ATOM 329 N ASP A 31 6.048 4.631 12.025 1.00 0.00 N ATOM 330 CA ASP A 31 7.148 3.675 11.710 1.00 0.00 C ATOM 331 C ASP A 31 7.308 3.527 10.194 1.00 0.00 C ATOM 332 O ASP A 31 8.399 3.340 9.691 1.00 0.00 O ATOM 333 CB ASP A 31 6.713 2.349 12.333 1.00 0.00 C ATOM 334 CG ASP A 31 7.326 2.212 13.728 1.00 0.00 C ATOM 335 OD1 ASP A 31 8.542 2.197 13.819 1.00 0.00 O ATOM 336 OD2 ASP A 31 6.569 2.125 14.680 1.00 0.00 O ATOM 0 H ASP A 31 5.200 4.207 12.403 1.00 0.00 H new ATOM 0 HA ASP A 31 8.109 4.013 12.098 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.626 2.305 12.397 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.029 1.518 11.702 1.00 0.00 H new ATOM 341 N SER A 32 6.229 3.606 9.464 1.00 0.00 N ATOM 342 CA SER A 32 6.321 3.466 7.980 1.00 0.00 C ATOM 343 C SER A 32 7.173 4.595 7.393 1.00 0.00 C ATOM 344 O SER A 32 8.043 4.364 6.574 1.00 0.00 O ATOM 345 CB SER A 32 4.879 3.564 7.484 1.00 0.00 C ATOM 346 OG SER A 32 4.459 4.921 7.524 1.00 0.00 O ATOM 0 H SER A 32 5.289 3.761 9.829 1.00 0.00 H new ATOM 0 HA SER A 32 6.791 2.529 7.681 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.805 3.178 6.467 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.226 2.951 8.105 1.00 0.00 H new ATOM 0 HG SER A 32 4.757 5.331 8.363 1.00 0.00 H new ATOM 352 N ILE A 33 6.933 5.810 7.799 1.00 0.00 N ATOM 353 CA ILE A 33 7.734 6.947 7.258 1.00 0.00 C ATOM 354 C ILE A 33 9.219 6.749 7.579 1.00 0.00 C ATOM 355 O ILE A 33 10.081 7.021 6.768 1.00 0.00 O ATOM 356 CB ILE A 33 7.189 8.190 7.965 1.00 0.00 C ATOM 357 CG1 ILE A 33 5.739 8.423 7.535 1.00 0.00 C ATOM 358 CG2 ILE A 33 8.034 9.409 7.587 1.00 0.00 C ATOM 359 CD1 ILE A 33 5.682 8.638 6.020 1.00 0.00 C ATOM 0 H ILE A 33 6.219 6.066 8.481 1.00 0.00 H new ATOM 0 HA ILE A 33 7.654 7.030 6.174 1.00 0.00 H new ATOM 0 HB ILE A 33 7.232 8.041 9.044 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.124 7.568 7.815 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.331 9.292 8.052 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.644 10.293 8.092 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.068 9.244 7.891 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.993 9.560 6.508 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.649 8.804 5.715 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.283 9.507 5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.073 7.756 5.512 1.00 0.00 H new ATOM 371 N VAL A 34 9.523 6.279 8.758 1.00 0.00 N ATOM 372 CA VAL A 34 10.953 6.068 9.130 1.00 0.00 C ATOM 373 C VAL A 34 11.593 5.023 8.212 1.00 0.00 C ATOM 374 O VAL A 34 12.781 5.052 7.957 1.00 0.00 O ATOM 375 CB VAL A 34 10.915 5.561 10.571 1.00 0.00 C ATOM 376 CG1 VAL A 34 12.337 5.237 11.036 1.00 0.00 C ATOM 377 CG2 VAL A 34 10.316 6.642 11.473 1.00 0.00 C ATOM 0 H VAL A 34 8.845 6.032 9.479 1.00 0.00 H new ATOM 0 HA VAL A 34 11.543 6.979 9.032 1.00 0.00 H new ATOM 0 HB VAL A 34 10.303 4.661 10.625 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.310 4.875 12.064 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.764 4.468 10.392 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.951 6.136 10.984 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.288 6.283 12.502 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.929 7.542 11.419 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.304 6.873 11.141 1.00 0.00 H new ATOM 387 N GLN A 35 10.819 4.096 7.719 1.00 0.00 N ATOM 388 CA GLN A 35 11.388 3.046 6.822 1.00 0.00 C ATOM 389 C GLN A 35 11.115 3.395 5.356 1.00 0.00 C ATOM 390 O GLN A 35 11.841 2.994 4.469 1.00 0.00 O ATOM 391 CB GLN A 35 10.662 1.760 7.213 1.00 0.00 C ATOM 392 CG GLN A 35 11.690 0.686 7.581 1.00 0.00 C ATOM 393 CD GLN A 35 11.893 -0.253 6.390 1.00 0.00 C ATOM 394 OE1 GLN A 35 11.577 0.092 5.268 1.00 0.00 O ATOM 395 NE2 GLN A 35 12.412 -1.434 6.588 1.00 0.00 N ATOM 0 H GLN A 35 9.818 4.019 7.897 1.00 0.00 H new ATOM 0 HA GLN A 35 12.469 2.953 6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.997 1.947 8.057 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.040 1.415 6.387 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.636 1.152 7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.348 0.122 8.449 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.677 -1.723 7.530 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.553 -2.068 5.801 1.00 0.00 H new ATOM 404 N LEU A 36 10.075 4.139 5.095 1.00 0.00 N ATOM 405 CA LEU A 36 9.759 4.510 3.686 1.00 0.00 C ATOM 406 C LEU A 36 10.665 5.654 3.228 1.00 0.00 C ATOM 407 O LEU A 36 10.929 5.820 2.053 1.00 0.00 O ATOM 408 CB LEU A 36 8.297 4.960 3.716 1.00 0.00 C ATOM 409 CG LEU A 36 7.388 3.742 3.541 1.00 0.00 C ATOM 410 CD1 LEU A 36 6.227 3.812 4.538 1.00 0.00 C ATOM 411 CD2 LEU A 36 6.830 3.719 2.114 1.00 0.00 C ATOM 0 H LEU A 36 9.431 4.506 5.796 1.00 0.00 H new ATOM 0 HA LEU A 36 9.917 3.684 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.078 5.459 4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.111 5.684 2.922 1.00 0.00 H new ATOM 0 HG LEU A 36 7.966 2.836 3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.583 2.942 4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.620 3.824 5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.650 4.720 4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.183 2.851 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.257 4.628 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.653 3.662 1.402 1.00 0.00 H new ATOM 423 N CYS A 37 11.149 6.446 4.147 1.00 0.00 N ATOM 424 CA CYS A 37 12.041 7.580 3.764 1.00 0.00 C ATOM 425 C CYS A 37 13.203 7.072 2.907 1.00 0.00 C ATOM 426 O CYS A 37 13.759 7.797 2.105 1.00 0.00 O ATOM 427 CB CYS A 37 12.560 8.144 5.088 1.00 0.00 C ATOM 428 SG CYS A 37 11.913 9.819 5.331 1.00 0.00 S ATOM 0 H CYS A 37 10.966 6.357 5.146 1.00 0.00 H new ATOM 0 HA CYS A 37 11.518 8.335 3.177 1.00 0.00 H new ATOM 0 HB2 CYS A 37 12.253 7.502 5.914 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.650 8.161 5.085 1.00 0.00 H new ATOM 433 N THR A 38 13.574 5.831 3.069 1.00 0.00 N ATOM 434 CA THR A 38 14.701 5.279 2.263 1.00 0.00 C ATOM 435 C THR A 38 14.186 4.697 0.939 1.00 0.00 C ATOM 436 O THR A 38 14.941 4.148 0.160 1.00 0.00 O ATOM 437 CB THR A 38 15.301 4.173 3.133 1.00 0.00 C ATOM 438 OG1 THR A 38 15.608 4.700 4.418 1.00 0.00 O ATOM 439 CG2 THR A 38 16.576 3.639 2.478 1.00 0.00 C ATOM 0 H THR A 38 13.146 5.176 3.724 1.00 0.00 H new ATOM 0 HA THR A 38 15.432 6.045 2.005 1.00 0.00 H new ATOM 0 HB THR A 38 14.583 3.359 3.235 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.991 3.993 4.978 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.002 2.851 3.099 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.338 3.236 1.494 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.298 4.449 2.374 1.00 0.00 H new ATOM 447 N ALA A 39 12.910 4.813 0.672 1.00 0.00 N ATOM 448 CA ALA A 39 12.362 4.264 -0.602 1.00 0.00 C ATOM 449 C ALA A 39 12.756 2.794 -0.762 1.00 0.00 C ATOM 450 O ALA A 39 12.921 2.301 -1.859 1.00 0.00 O ATOM 451 CB ALA A 39 12.996 5.113 -1.703 1.00 0.00 C ATOM 0 H ALA A 39 12.226 5.263 1.281 1.00 0.00 H new ATOM 0 HA ALA A 39 11.273 4.303 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.642 4.771 -2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.718 6.158 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.081 5.017 -1.657 1.00 0.00 H new ATOM 457 N ARG A 40 12.909 2.095 0.325 1.00 0.00 N ATOM 458 CA ARG A 40 13.292 0.656 0.243 1.00 0.00 C ATOM 459 C ARG A 40 12.186 -0.162 -0.440 1.00 0.00 C ATOM 460 O ARG A 40 12.437 -0.834 -1.421 1.00 0.00 O ATOM 461 CB ARG A 40 13.472 0.208 1.694 1.00 0.00 C ATOM 462 CG ARG A 40 14.947 -0.103 1.954 1.00 0.00 C ATOM 463 CD ARG A 40 15.089 -0.831 3.294 1.00 0.00 C ATOM 464 NE ARG A 40 16.556 -0.904 3.539 1.00 0.00 N ATOM 465 CZ ARG A 40 17.033 -0.631 4.723 1.00 0.00 C ATOM 466 NH1 ARG A 40 16.425 -1.075 5.789 1.00 0.00 N ATOM 467 NH2 ARG A 40 18.118 0.084 4.840 1.00 0.00 N ATOM 0 H ARG A 40 12.786 2.457 1.271 1.00 0.00 H new ATOM 0 HA ARG A 40 14.197 0.509 -0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 40 13.129 0.990 2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.863 -0.674 1.891 1.00 0.00 H new ATOM 0 HG2 ARG A 40 15.347 -0.720 1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 40 15.527 0.820 1.966 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.582 -0.290 4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.646 -1.826 3.252 1.00 0.00 H new ATOM 0 HE ARG A 40 17.187 -1.167 2.782 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.578 -1.635 5.697 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.797 -0.862 6.714 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.593 0.430 4.006 1.00 0.00 H new ATOM 0 HH22 ARG A 40 18.491 0.297 5.765 1.00 0.00 H new ATOM 481 N PRO A 41 10.997 -0.086 0.103 1.00 0.00 N ATOM 482 CA PRO A 41 9.855 -0.841 -0.470 1.00 0.00 C ATOM 483 C PRO A 41 9.380 -0.202 -1.777 1.00 0.00 C ATOM 484 O PRO A 41 8.614 0.742 -1.776 1.00 0.00 O ATOM 485 CB PRO A 41 8.780 -0.739 0.609 1.00 0.00 C ATOM 486 CG PRO A 41 9.112 0.502 1.375 1.00 0.00 C ATOM 487 CD PRO A 41 10.604 0.697 1.281 1.00 0.00 C ATOM 0 HA PRO A 41 10.109 -1.872 -0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.785 -0.676 0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.787 -1.616 1.257 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.585 1.362 0.962 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.801 0.407 2.415 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.861 1.750 1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.109 0.344 2.180 1.00 0.00 H new ATOM 495 N GLU A 42 9.823 -0.711 -2.893 1.00 0.00 N ATOM 496 CA GLU A 42 9.389 -0.137 -4.198 1.00 0.00 C ATOM 497 C GLU A 42 7.871 -0.261 -4.332 1.00 0.00 C ATOM 498 O GLU A 42 7.206 0.620 -4.838 1.00 0.00 O ATOM 499 CB GLU A 42 10.097 -0.976 -5.263 1.00 0.00 C ATOM 500 CG GLU A 42 11.599 -1.005 -4.982 1.00 0.00 C ATOM 501 CD GLU A 42 12.370 -1.009 -6.305 1.00 0.00 C ATOM 502 OE1 GLU A 42 12.281 -1.996 -7.016 1.00 0.00 O ATOM 503 OE2 GLU A 42 13.033 -0.024 -6.585 1.00 0.00 O ATOM 0 H GLU A 42 10.467 -1.500 -2.958 1.00 0.00 H new ATOM 0 HA GLU A 42 9.638 0.920 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.698 -1.990 -5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.910 -0.558 -6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.884 -0.138 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.853 -1.890 -4.399 1.00 0.00 H new ATOM 510 N ARG A 43 7.320 -1.352 -3.875 1.00 0.00 N ATOM 511 CA ARG A 43 5.845 -1.542 -3.963 1.00 0.00 C ATOM 512 C ARG A 43 5.248 -1.619 -2.554 1.00 0.00 C ATOM 513 O ARG A 43 5.184 -2.685 -1.970 1.00 0.00 O ATOM 514 CB ARG A 43 5.657 -2.865 -4.705 1.00 0.00 C ATOM 515 CG ARG A 43 4.164 -3.126 -4.909 1.00 0.00 C ATOM 516 CD ARG A 43 3.933 -4.621 -5.148 1.00 0.00 C ATOM 517 NE ARG A 43 4.188 -4.821 -6.601 1.00 0.00 N ATOM 518 CZ ARG A 43 3.707 -5.872 -7.209 1.00 0.00 C ATOM 519 NH1 ARG A 43 4.265 -7.038 -7.033 1.00 0.00 N ATOM 520 NH2 ARG A 43 2.669 -5.755 -7.990 1.00 0.00 N ATOM 0 H ARG A 43 7.830 -2.122 -3.443 1.00 0.00 H new ATOM 0 HA ARG A 43 5.347 -0.720 -4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.166 -2.830 -5.668 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.106 -3.680 -4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.604 -2.796 -4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.796 -2.550 -5.758 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.607 -5.227 -4.542 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.917 -4.911 -4.882 1.00 0.00 H new ATOM 0 HE ARG A 43 4.738 -4.138 -7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.076 -7.128 -6.421 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.890 -7.860 -7.507 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.233 -4.843 -8.126 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.293 -6.576 -8.465 1.00 0.00 H new ATOM 534 N PRO A 44 4.831 -0.486 -2.045 1.00 0.00 N ATOM 535 CA PRO A 44 4.240 -0.436 -0.685 1.00 0.00 C ATOM 536 C PRO A 44 2.864 -1.111 -0.668 1.00 0.00 C ATOM 537 O PRO A 44 2.329 -1.419 0.378 1.00 0.00 O ATOM 538 CB PRO A 44 4.123 1.058 -0.398 1.00 0.00 C ATOM 539 CG PRO A 44 4.059 1.703 -1.744 1.00 0.00 C ATOM 540 CD PRO A 44 4.867 0.841 -2.677 1.00 0.00 C ATOM 0 HA PRO A 44 4.838 -0.960 0.060 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.232 1.279 0.189 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.978 1.419 0.173 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.027 1.782 -2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.461 2.716 -1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.435 0.820 -3.678 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.888 1.209 -2.778 1.00 0.00 H new ATOM 548 N MET A 45 2.286 -1.347 -1.816 1.00 0.00 N ATOM 549 CA MET A 45 0.949 -2.005 -1.853 1.00 0.00 C ATOM 550 C MET A 45 1.014 -3.361 -1.145 1.00 0.00 C ATOM 551 O MET A 45 0.214 -3.660 -0.282 1.00 0.00 O ATOM 552 CB MET A 45 0.637 -2.187 -3.338 1.00 0.00 C ATOM 553 CG MET A 45 -0.258 -1.040 -3.815 1.00 0.00 C ATOM 554 SD MET A 45 0.380 -0.385 -5.378 1.00 0.00 S ATOM 555 CE MET A 45 -0.744 1.027 -5.508 1.00 0.00 C ATOM 0 H MET A 45 2.681 -1.113 -2.727 1.00 0.00 H new ATOM 0 HA MET A 45 0.182 -1.418 -1.348 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.561 -2.206 -3.915 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.140 -3.143 -3.502 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.281 -1.393 -3.947 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.288 -0.251 -3.063 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.143 1.082 -6.521 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.565 0.905 -4.801 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.202 1.945 -5.281 1.00 0.00 H new ATOM 565 N ALA A 46 1.963 -4.183 -1.503 1.00 0.00 N ATOM 566 CA ALA A 46 2.080 -5.519 -0.847 1.00 0.00 C ATOM 567 C ALA A 46 2.972 -5.419 0.394 1.00 0.00 C ATOM 568 O ALA A 46 2.798 -6.139 1.359 1.00 0.00 O ATOM 569 CB ALA A 46 2.720 -6.424 -1.899 1.00 0.00 C ATOM 0 H ALA A 46 2.662 -3.989 -2.220 1.00 0.00 H new ATOM 0 HA ALA A 46 1.116 -5.904 -0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.840 -7.428 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.081 -6.465 -2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.696 -6.026 -2.176 1.00 0.00 H new ATOM 575 N PHE A 47 3.928 -4.528 0.379 1.00 0.00 N ATOM 576 CA PHE A 47 4.827 -4.381 1.557 1.00 0.00 C ATOM 577 C PHE A 47 3.994 -4.165 2.826 1.00 0.00 C ATOM 578 O PHE A 47 4.370 -4.576 3.905 1.00 0.00 O ATOM 579 CB PHE A 47 5.683 -3.151 1.258 1.00 0.00 C ATOM 580 CG PHE A 47 6.871 -3.125 2.189 1.00 0.00 C ATOM 581 CD1 PHE A 47 7.916 -4.064 2.027 1.00 0.00 C ATOM 582 CD2 PHE A 47 6.939 -2.165 3.223 1.00 0.00 C ATOM 583 CE1 PHE A 47 9.028 -4.040 2.898 1.00 0.00 C ATOM 584 CE2 PHE A 47 8.052 -2.142 4.095 1.00 0.00 C ATOM 585 CZ PHE A 47 9.095 -3.080 3.932 1.00 0.00 C ATOM 0 H PHE A 47 4.124 -3.897 -0.398 1.00 0.00 H new ATOM 0 HA PHE A 47 5.440 -5.267 1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.020 -3.173 0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.091 -2.244 1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.864 -4.799 1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.141 -1.448 3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.827 -4.756 2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.104 -1.408 4.885 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.945 -3.063 4.599 1.00 0.00 H new ATOM 595 N LEU A 48 2.859 -3.529 2.700 1.00 0.00 N ATOM 596 CA LEU A 48 2.000 -3.296 3.895 1.00 0.00 C ATOM 597 C LEU A 48 1.722 -4.628 4.598 1.00 0.00 C ATOM 598 O LEU A 48 1.834 -4.745 5.803 1.00 0.00 O ATOM 599 CB LEU A 48 0.707 -2.690 3.340 1.00 0.00 C ATOM 600 CG LEU A 48 -0.341 -2.592 4.455 1.00 0.00 C ATOM 601 CD1 LEU A 48 -1.190 -1.334 4.253 1.00 0.00 C ATOM 602 CD2 LEU A 48 -1.246 -3.826 4.412 1.00 0.00 C ATOM 0 H LEU A 48 2.491 -3.162 1.822 1.00 0.00 H new ATOM 0 HA LEU A 48 2.467 -2.640 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.906 -1.701 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.327 -3.305 2.524 1.00 0.00 H new ATOM 0 HG LEU A 48 0.162 -2.539 5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.934 -1.266 5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.548 -0.453 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.693 -1.386 3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.992 -3.758 5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.747 -3.876 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.645 -4.724 4.556 1.00 0.00 H new ATOM 614 N ARG A 49 1.364 -5.635 3.850 1.00 0.00 N ATOM 615 CA ARG A 49 1.087 -6.960 4.470 1.00 0.00 C ATOM 616 C ARG A 49 2.332 -7.457 5.209 1.00 0.00 C ATOM 617 O ARG A 49 2.275 -7.826 6.364 1.00 0.00 O ATOM 618 CB ARG A 49 0.751 -7.883 3.298 1.00 0.00 C ATOM 619 CG ARG A 49 0.559 -9.312 3.808 1.00 0.00 C ATOM 620 CD ARG A 49 0.369 -10.256 2.619 1.00 0.00 C ATOM 621 NE ARG A 49 1.680 -10.943 2.458 1.00 0.00 N ATOM 622 CZ ARG A 49 1.724 -12.237 2.295 1.00 0.00 C ATOM 623 NH1 ARG A 49 1.656 -13.029 3.329 1.00 0.00 N ATOM 624 NH2 ARG A 49 1.835 -12.741 1.095 1.00 0.00 N ATOM 0 H ARG A 49 1.252 -5.597 2.837 1.00 0.00 H new ATOM 0 HA ARG A 49 0.277 -6.920 5.198 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.155 -7.539 2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.551 -7.855 2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.424 -9.619 4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.308 -9.361 4.467 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.431 -10.972 2.808 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.099 -9.706 1.718 1.00 0.00 H new ATOM 0 HE ARG A 49 2.544 -10.402 2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.568 -12.637 4.267 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.690 -14.040 3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.887 -12.123 0.285 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.869 -13.752 0.968 1.00 0.00 H new ATOM 638 N GLU A 50 3.458 -7.466 4.549 1.00 0.00 N ATOM 639 CA GLU A 50 4.709 -7.937 5.216 1.00 0.00 C ATOM 640 C GLU A 50 5.343 -6.810 6.043 1.00 0.00 C ATOM 641 O GLU A 50 6.443 -6.945 6.544 1.00 0.00 O ATOM 642 CB GLU A 50 5.637 -8.345 4.069 1.00 0.00 C ATOM 643 CG GLU A 50 5.596 -9.865 3.895 1.00 0.00 C ATOM 644 CD GLU A 50 6.374 -10.255 2.637 1.00 0.00 C ATOM 645 OE1 GLU A 50 5.902 -9.948 1.554 1.00 0.00 O ATOM 646 OE2 GLU A 50 7.425 -10.857 2.777 1.00 0.00 O ATOM 0 H GLU A 50 3.568 -7.169 3.579 1.00 0.00 H new ATOM 0 HA GLU A 50 4.518 -8.759 5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.329 -7.854 3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.656 -8.020 4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.028 -10.354 4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.563 -10.205 3.817 1.00 0.00 H new ATOM 653 N TYR A 51 4.666 -5.702 6.192 1.00 0.00 N ATOM 654 CA TYR A 51 5.238 -4.577 6.988 1.00 0.00 C ATOM 655 C TYR A 51 4.869 -4.740 8.469 1.00 0.00 C ATOM 656 O TYR A 51 5.724 -4.906 9.317 1.00 0.00 O ATOM 657 CB TYR A 51 4.598 -3.317 6.388 1.00 0.00 C ATOM 658 CG TYR A 51 4.849 -2.122 7.283 1.00 0.00 C ATOM 659 CD1 TYR A 51 6.100 -1.466 7.256 1.00 0.00 C ATOM 660 CD2 TYR A 51 3.828 -1.662 8.142 1.00 0.00 C ATOM 661 CE1 TYR A 51 6.328 -0.350 8.093 1.00 0.00 C ATOM 662 CE2 TYR A 51 4.056 -0.548 8.979 1.00 0.00 C ATOM 663 CZ TYR A 51 5.307 0.108 8.954 1.00 0.00 C ATOM 664 OH TYR A 51 5.530 1.197 9.772 1.00 0.00 O ATOM 0 H TYR A 51 3.742 -5.528 5.797 1.00 0.00 H new ATOM 0 HA TYR A 51 6.326 -4.536 6.946 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.009 -3.129 5.396 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.526 -3.469 6.265 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.881 -1.817 6.597 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.871 -2.163 8.159 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.284 0.153 8.074 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.275 -0.198 9.638 1.00 0.00 H new ATOM 0 HH TYR A 51 4.696 1.699 9.883 1.00 0.00 H new ATOM 674 N PHE A 52 3.605 -4.685 8.786 1.00 0.00 N ATOM 675 CA PHE A 52 3.187 -4.828 10.211 1.00 0.00 C ATOM 676 C PHE A 52 3.039 -6.308 10.581 1.00 0.00 C ATOM 677 O PHE A 52 3.106 -6.673 11.738 1.00 0.00 O ATOM 678 CB PHE A 52 1.839 -4.112 10.301 1.00 0.00 C ATOM 679 CG PHE A 52 1.770 -3.315 11.581 1.00 0.00 C ATOM 680 CD1 PHE A 52 1.719 -3.978 12.826 1.00 0.00 C ATOM 681 CD2 PHE A 52 1.755 -1.903 11.530 1.00 0.00 C ATOM 682 CE1 PHE A 52 1.652 -3.228 14.023 1.00 0.00 C ATOM 683 CE2 PHE A 52 1.687 -1.154 12.726 1.00 0.00 C ATOM 684 CZ PHE A 52 1.637 -1.817 13.973 1.00 0.00 C ATOM 0 H PHE A 52 2.843 -4.547 8.122 1.00 0.00 H new ATOM 0 HA PHE A 52 3.920 -4.406 10.899 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.709 -3.452 9.443 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.027 -4.839 10.270 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.731 -5.057 12.864 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.796 -1.396 10.577 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.612 -3.735 14.976 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.673 -0.075 12.687 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.587 -1.245 14.887 1.00 0.00 H new ATOM 694 N GLU A 53 2.838 -7.164 9.614 1.00 0.00 N ATOM 695 CA GLU A 53 2.688 -8.614 9.929 1.00 0.00 C ATOM 696 C GLU A 53 3.978 -9.155 10.554 1.00 0.00 C ATOM 697 O GLU A 53 3.951 -10.015 11.410 1.00 0.00 O ATOM 698 CB GLU A 53 2.422 -9.291 8.586 1.00 0.00 C ATOM 699 CG GLU A 53 2.343 -10.806 8.781 1.00 0.00 C ATOM 700 CD GLU A 53 3.374 -11.493 7.886 1.00 0.00 C ATOM 701 OE1 GLU A 53 4.548 -11.194 8.029 1.00 0.00 O ATOM 702 OE2 GLU A 53 2.973 -12.309 7.073 1.00 0.00 O ATOM 0 H GLU A 53 2.772 -6.923 8.625 1.00 0.00 H new ATOM 0 HA GLU A 53 1.885 -8.798 10.643 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.490 -8.920 8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.216 -9.046 7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.527 -11.058 9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.342 -11.162 8.539 1.00 0.00 H new ATOM 709 N LYS A 54 5.107 -8.654 10.131 1.00 0.00 N ATOM 710 CA LYS A 54 6.398 -9.140 10.702 1.00 0.00 C ATOM 711 C LYS A 54 6.759 -8.333 11.952 1.00 0.00 C ATOM 712 O LYS A 54 7.165 -8.879 12.958 1.00 0.00 O ATOM 713 CB LYS A 54 7.429 -8.913 9.597 1.00 0.00 C ATOM 714 CG LYS A 54 7.143 -9.859 8.429 1.00 0.00 C ATOM 715 CD LYS A 54 8.188 -9.646 7.332 1.00 0.00 C ATOM 716 CE LYS A 54 8.374 -10.946 6.545 1.00 0.00 C ATOM 717 NZ LYS A 54 9.774 -11.367 6.824 1.00 0.00 N ATOM 0 H LYS A 54 5.192 -7.931 9.417 1.00 0.00 H new ATOM 0 HA LYS A 54 6.350 -10.186 11.004 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.392 -7.878 9.258 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.434 -9.087 9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.165 -10.894 8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.144 -9.675 8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.871 -8.846 6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.136 -9.336 7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.662 -11.707 6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.214 -10.788 5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.977 -12.253 6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.430 -10.626 6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.894 -11.516 7.846 1.00 0.00 H new ATOM 731 N LEU A 55 6.616 -7.038 11.895 1.00 0.00 N ATOM 732 CA LEU A 55 6.952 -6.200 13.082 1.00 0.00 C ATOM 733 C LEU A 55 6.179 -6.690 14.309 1.00 0.00 C ATOM 734 O LEU A 55 6.669 -6.652 15.421 1.00 0.00 O ATOM 735 CB LEU A 55 6.520 -4.782 12.707 1.00 0.00 C ATOM 736 CG LEU A 55 7.757 -3.897 12.545 1.00 0.00 C ATOM 737 CD1 LEU A 55 7.336 -2.519 12.027 1.00 0.00 C ATOM 738 CD2 LEU A 55 8.453 -3.739 13.899 1.00 0.00 C ATOM 0 H LEU A 55 6.282 -6.524 11.080 1.00 0.00 H new ATOM 0 HA LEU A 55 8.012 -6.247 13.333 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.948 -4.798 11.780 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.866 -4.374 13.478 1.00 0.00 H new ATOM 0 HG LEU A 55 8.442 -4.360 11.835 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.218 -1.889 11.912 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.840 -2.629 11.063 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.650 -2.057 12.737 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.335 -3.108 13.784 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.767 -3.277 14.609 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.754 -4.719 14.270 1.00 0.00 H new ATOM 750 N GLU A 56 4.973 -7.151 14.116 1.00 0.00 N ATOM 751 CA GLU A 56 4.169 -7.644 15.272 1.00 0.00 C ATOM 752 C GLU A 56 4.542 -9.092 15.593 1.00 0.00 C ATOM 753 O GLU A 56 4.434 -9.535 16.720 1.00 0.00 O ATOM 754 CB GLU A 56 2.713 -7.554 14.810 1.00 0.00 C ATOM 755 CG GLU A 56 1.790 -8.009 15.941 1.00 0.00 C ATOM 756 CD GLU A 56 0.782 -9.026 15.399 1.00 0.00 C ATOM 757 OE1 GLU A 56 -0.258 -8.601 14.921 1.00 0.00 O ATOM 758 OE2 GLU A 56 1.067 -10.210 15.470 1.00 0.00 O ATOM 0 H GLU A 56 4.510 -7.208 13.209 1.00 0.00 H new ATOM 0 HA GLU A 56 4.345 -7.062 16.177 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.475 -6.530 14.521 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.561 -8.177 13.929 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.375 -8.454 16.746 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.266 -7.152 16.364 1.00 0.00 H new ATOM 765 N LYS A 57 4.980 -9.833 14.614 1.00 0.00 N ATOM 766 CA LYS A 57 5.361 -11.252 14.864 1.00 0.00 C ATOM 767 C LYS A 57 6.606 -11.317 15.752 1.00 0.00 C ATOM 768 O LYS A 57 6.734 -12.180 16.595 1.00 0.00 O ATOM 769 CB LYS A 57 5.658 -11.833 13.481 1.00 0.00 C ATOM 770 CG LYS A 57 5.929 -13.333 13.603 1.00 0.00 C ATOM 771 CD LYS A 57 5.767 -13.998 12.236 1.00 0.00 C ATOM 772 CE LYS A 57 5.610 -15.509 12.417 1.00 0.00 C ATOM 773 NZ LYS A 57 6.607 -16.113 11.489 1.00 0.00 N ATOM 0 H LYS A 57 5.091 -9.517 13.650 1.00 0.00 H new ATOM 0 HA LYS A 57 4.575 -11.806 15.378 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.814 -11.659 12.813 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.521 -11.332 13.042 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.937 -13.501 13.983 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.240 -13.780 14.320 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.896 -13.590 11.723 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.634 -13.784 11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.801 -15.805 13.449 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.598 -15.833 12.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.560 -17.150 11.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.396 -15.819 10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.562 -15.792 11.749 1.00 0.00 H new ATOM 787 N GLU A 58 7.523 -10.407 15.567 1.00 0.00 N ATOM 788 CA GLU A 58 8.759 -10.414 16.402 1.00 0.00 C ATOM 789 C GLU A 58 8.533 -9.621 17.690 1.00 0.00 C ATOM 790 O GLU A 58 9.240 -8.678 17.983 1.00 0.00 O ATOM 791 CB GLU A 58 9.825 -9.741 15.535 1.00 0.00 C ATOM 792 CG GLU A 58 10.069 -10.582 14.282 1.00 0.00 C ATOM 793 CD GLU A 58 10.896 -9.775 13.279 1.00 0.00 C ATOM 794 OE1 GLU A 58 11.990 -9.367 13.635 1.00 0.00 O ATOM 795 OE2 GLU A 58 10.422 -9.579 12.172 1.00 0.00 O ATOM 0 H GLU A 58 7.471 -9.660 14.875 1.00 0.00 H new ATOM 0 HA GLU A 58 9.051 -11.421 16.699 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.502 -8.738 15.256 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.752 -9.632 16.099 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.592 -11.502 14.544 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.118 -10.873 13.835 1.00 0.00 H new ATOM 922 N CYS B 16 13.864 13.063 2.525 1.00 0.00 N ATOM 923 CA CYS B 16 12.654 12.496 3.187 1.00 0.00 C ATOM 924 C CYS B 16 11.418 13.322 2.823 1.00 0.00 C ATOM 925 O CYS B 16 10.302 12.847 2.886 1.00 0.00 O ATOM 926 CB CYS B 16 12.942 12.589 4.686 1.00 0.00 C ATOM 927 SG CYS B 16 13.554 10.996 5.286 1.00 0.00 S ATOM 0 HA CYS B 16 12.453 11.471 2.875 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.679 13.369 4.877 1.00 0.00 H new ATOM 0 HB3 CYS B 16 12.036 12.868 5.224 1.00 0.00 H new ATOM 932 N GLU B 17 11.609 14.556 2.445 1.00 0.00 N ATOM 933 CA GLU B 17 10.445 15.412 2.077 1.00 0.00 C ATOM 934 C GLU B 17 9.874 14.981 0.722 1.00 0.00 C ATOM 935 O GLU B 17 8.754 15.303 0.379 1.00 0.00 O ATOM 936 CB GLU B 17 11.008 16.832 1.995 1.00 0.00 C ATOM 937 CG GLU B 17 10.030 17.811 2.650 1.00 0.00 C ATOM 938 CD GLU B 17 10.579 19.234 2.537 1.00 0.00 C ATOM 939 OE1 GLU B 17 11.042 19.586 1.464 1.00 0.00 O ATOM 940 OE2 GLU B 17 10.527 19.947 3.525 1.00 0.00 O ATOM 0 H GLU B 17 12.520 15.009 2.375 1.00 0.00 H new ATOM 0 HA GLU B 17 9.633 15.336 2.800 1.00 0.00 H new ATOM 0 HB2 GLU B 17 11.976 16.880 2.495 1.00 0.00 H new ATOM 0 HB3 GLU B 17 11.173 17.109 0.954 1.00 0.00 H new ATOM 0 HG2 GLU B 17 9.056 17.746 2.166 1.00 0.00 H new ATOM 0 HG3 GLU B 17 9.883 17.549 3.698 1.00 0.00 H new ATOM 947 N LEU B 18 10.636 14.258 -0.053 1.00 0.00 N ATOM 948 CA LEU B 18 10.135 13.810 -1.385 1.00 0.00 C ATOM 949 C LEU B 18 9.372 12.489 -1.250 1.00 0.00 C ATOM 950 O LEU B 18 8.260 12.354 -1.719 1.00 0.00 O ATOM 951 CB LEU B 18 11.395 13.616 -2.232 1.00 0.00 C ATOM 952 CG LEU B 18 11.049 13.798 -3.712 1.00 0.00 C ATOM 953 CD1 LEU B 18 10.609 15.242 -3.961 1.00 0.00 C ATOM 954 CD2 LEU B 18 12.282 13.488 -4.565 1.00 0.00 C ATOM 0 H LEU B 18 11.583 13.958 0.178 1.00 0.00 H new ATOM 0 HA LEU B 18 9.446 14.528 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU B 18 12.159 14.334 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU B 18 11.809 12.622 -2.064 1.00 0.00 H new ATOM 0 HG LEU B 18 10.239 13.120 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU B 18 10.363 15.371 -5.015 1.00 0.00 H new ATOM 0 HD12 LEU B 18 9.732 15.465 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU B 18 11.419 15.921 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU B 18 12.037 13.617 -5.619 1.00 0.00 H new ATOM 0 HD22 LEU B 18 13.091 14.166 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU B 18 12.597 12.459 -4.389 1.00 0.00 H new ATOM 966 N TYR B 19 9.963 11.514 -0.618 1.00 0.00 N ATOM 967 CA TYR B 19 9.275 10.200 -0.456 1.00 0.00 C ATOM 968 C TYR B 19 8.381 10.214 0.781 1.00 0.00 C ATOM 969 O TYR B 19 8.456 9.344 1.627 1.00 0.00 O ATOM 970 CB TYR B 19 10.399 9.191 -0.276 1.00 0.00 C ATOM 971 CG TYR B 19 10.199 8.037 -1.228 1.00 0.00 C ATOM 972 CD1 TYR B 19 10.641 8.139 -2.566 1.00 0.00 C ATOM 973 CD2 TYR B 19 9.566 6.856 -0.780 1.00 0.00 C ATOM 974 CE1 TYR B 19 10.450 7.058 -3.457 1.00 0.00 C ATOM 975 CE2 TYR B 19 9.376 5.775 -1.671 1.00 0.00 C ATOM 976 CZ TYR B 19 9.818 5.876 -3.009 1.00 0.00 C ATOM 977 OH TYR B 19 9.631 4.822 -3.879 1.00 0.00 O ATOM 0 H TYR B 19 10.894 11.569 -0.205 1.00 0.00 H new ATOM 0 HA TYR B 19 8.637 9.965 -1.308 1.00 0.00 H new ATOM 0 HB2 TYR B 19 11.362 9.667 -0.462 1.00 0.00 H new ATOM 0 HB3 TYR B 19 10.416 8.829 0.752 1.00 0.00 H new ATOM 0 HD1 TYR B 19 11.124 9.042 -2.908 1.00 0.00 H new ATOM 0 HD2 TYR B 19 9.227 6.779 0.243 1.00 0.00 H new ATOM 0 HE1 TYR B 19 10.787 7.136 -4.480 1.00 0.00 H new ATOM 0 HE2 TYR B 19 8.893 4.872 -1.329 1.00 0.00 H new ATOM 0 HH TYR B 19 9.183 4.087 -3.411 1.00 0.00 H new ATOM 987 N VAL B 20 7.536 11.190 0.890 1.00 0.00 N ATOM 988 CA VAL B 20 6.631 11.267 2.065 1.00 0.00 C ATOM 989 C VAL B 20 5.346 10.470 1.782 1.00 0.00 C ATOM 990 O VAL B 20 5.403 9.320 1.394 1.00 0.00 O ATOM 991 CB VAL B 20 6.352 12.764 2.243 1.00 0.00 C ATOM 992 CG1 VAL B 20 7.665 13.500 2.510 1.00 0.00 C ATOM 993 CG2 VAL B 20 5.705 13.320 0.972 1.00 0.00 C ATOM 0 H VAL B 20 7.430 11.945 0.212 1.00 0.00 H new ATOM 0 HA VAL B 20 7.061 10.839 2.970 1.00 0.00 H new ATOM 0 HB VAL B 20 5.677 12.908 3.086 1.00 0.00 H new ATOM 0 HG11 VAL B 20 7.466 14.564 2.636 1.00 0.00 H new ATOM 0 HG12 VAL B 20 8.125 13.106 3.416 1.00 0.00 H new ATOM 0 HG13 VAL B 20 8.341 13.355 1.668 1.00 0.00 H new ATOM 0 HG21 VAL B 20 5.507 14.384 1.100 1.00 0.00 H new ATOM 0 HG22 VAL B 20 6.379 13.175 0.127 1.00 0.00 H new ATOM 0 HG23 VAL B 20 4.768 12.797 0.782 1.00 0.00 H new ATOM 1003 N GLN B 21 4.192 11.055 1.967 1.00 0.00 N ATOM 1004 CA GLN B 21 2.931 10.306 1.701 1.00 0.00 C ATOM 1005 C GLN B 21 2.484 10.509 0.253 1.00 0.00 C ATOM 1006 O GLN B 21 2.199 9.565 -0.457 1.00 0.00 O ATOM 1007 CB GLN B 21 1.906 10.901 2.667 1.00 0.00 C ATOM 1008 CG GLN B 21 1.998 10.181 4.015 1.00 0.00 C ATOM 1009 CD GLN B 21 0.589 9.921 4.551 1.00 0.00 C ATOM 1010 OE1 GLN B 21 0.237 8.795 4.844 1.00 0.00 O ATOM 1011 NE2 GLN B 21 -0.238 10.920 4.693 1.00 0.00 N ATOM 0 H GLN B 21 4.069 12.015 2.289 1.00 0.00 H new ATOM 0 HA GLN B 21 3.053 9.232 1.844 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.090 11.967 2.799 1.00 0.00 H new ATOM 0 HB3 GLN B 21 0.901 10.800 2.256 1.00 0.00 H new ATOM 0 HG2 GLN B 21 2.535 9.239 3.901 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.563 10.786 4.725 1.00 0.00 H new ATOM 0 HE21 GLN B 21 0.057 11.865 4.447 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -1.179 10.756 5.050 1.00 0.00 H new ATOM 1020 N LYS B 22 2.415 11.735 -0.191 1.00 0.00 N ATOM 1021 CA LYS B 22 1.983 12.000 -1.594 1.00 0.00 C ATOM 1022 C LYS B 22 3.059 11.530 -2.576 1.00 0.00 C ATOM 1023 O LYS B 22 3.634 12.314 -3.305 1.00 0.00 O ATOM 1024 CB LYS B 22 1.810 13.517 -1.675 1.00 0.00 C ATOM 1025 CG LYS B 22 0.641 13.853 -2.604 1.00 0.00 C ATOM 1026 CD LYS B 22 0.406 15.365 -2.599 1.00 0.00 C ATOM 1027 CE LYS B 22 -1.052 15.658 -2.962 1.00 0.00 C ATOM 1028 NZ LYS B 22 -1.240 17.101 -2.650 1.00 0.00 N ATOM 0 H LYS B 22 2.639 12.565 0.357 1.00 0.00 H new ATOM 0 HA LYS B 22 1.065 11.471 -1.851 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.627 13.926 -0.681 1.00 0.00 H new ATOM 0 HB3 LYS B 22 2.726 13.978 -2.045 1.00 0.00 H new ATOM 0 HG2 LYS B 22 0.857 13.511 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -0.259 13.333 -2.277 1.00 0.00 H new ATOM 0 HD2 LYS B 22 0.636 15.776 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS B 22 1.073 15.850 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -1.246 15.453 -4.015 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -1.736 15.036 -2.384 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -2.217 17.380 -2.872 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -1.054 17.265 -1.640 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -0.580 17.668 -3.220 1.00 0.00 H new ATOM 1042 N HIS B 23 3.335 10.255 -2.599 1.00 0.00 N ATOM 1043 CA HIS B 23 4.375 9.737 -3.534 1.00 0.00 C ATOM 1044 C HIS B 23 4.309 8.207 -3.616 1.00 0.00 C ATOM 1045 O HIS B 23 4.510 7.625 -4.663 1.00 0.00 O ATOM 1046 CB HIS B 23 5.707 10.183 -2.932 1.00 0.00 C ATOM 1047 CG HIS B 23 6.685 10.472 -4.037 1.00 0.00 C ATOM 1048 ND1 HIS B 23 7.307 11.706 -4.169 1.00 0.00 N ATOM 1049 CD2 HIS B 23 7.158 9.702 -5.071 1.00 0.00 C ATOM 1050 CE1 HIS B 23 8.111 11.640 -5.246 1.00 0.00 C ATOM 1051 NE2 HIS B 23 8.059 10.441 -5.833 1.00 0.00 N ATOM 0 H HIS B 23 2.887 9.551 -2.013 1.00 0.00 H new ATOM 0 HA HIS B 23 4.237 10.113 -4.548 1.00 0.00 H new ATOM 0 HB2 HIS B 23 5.561 11.072 -2.319 1.00 0.00 H new ATOM 0 HB3 HIS B 23 6.101 9.406 -2.277 1.00 0.00 H new ATOM 0 HD1 HIS B 23 7.178 12.515 -3.561 1.00 0.00 H new ATOM 0 HD2 HIS B 23 6.874 8.678 -5.264 1.00 0.00 H new ATOM 0 HE1 HIS B 23 8.725 12.458 -5.594 1.00 0.00 H new ATOM 1059 N ASN B 24 4.035 7.548 -2.520 1.00 0.00 N ATOM 1060 CA ASN B 24 3.966 6.060 -2.551 1.00 0.00 C ATOM 1061 C ASN B 24 2.975 5.540 -1.507 1.00 0.00 C ATOM 1062 O ASN B 24 2.207 4.635 -1.763 1.00 0.00 O ATOM 1063 CB ASN B 24 5.387 5.600 -2.219 1.00 0.00 C ATOM 1064 CG ASN B 24 6.309 5.900 -3.401 1.00 0.00 C ATOM 1065 OD1 ASN B 24 6.948 6.932 -3.440 1.00 0.00 O ATOM 1066 ND2 ASN B 24 6.405 5.036 -4.375 1.00 0.00 N ATOM 0 H ASN B 24 3.857 7.974 -1.611 1.00 0.00 H new ATOM 0 HA ASN B 24 3.623 5.685 -3.515 1.00 0.00 H new ATOM 0 HB2 ASN B 24 5.746 6.110 -1.325 1.00 0.00 H new ATOM 0 HB3 ASN B 24 5.393 4.532 -2.001 1.00 0.00 H new ATOM 0 HD21 ASN B 24 7.017 5.228 -5.168 1.00 0.00 H new ATOM 0 HD22 ASN B 24 5.868 4.169 -4.343 1.00 0.00 H new ATOM 1073 N ILE B 25 2.990 6.100 -0.330 1.00 0.00 N ATOM 1074 CA ILE B 25 2.052 5.632 0.733 1.00 0.00 C ATOM 1075 C ILE B 25 0.638 6.170 0.486 1.00 0.00 C ATOM 1076 O ILE B 25 -0.318 5.726 1.092 1.00 0.00 O ATOM 1077 CB ILE B 25 2.619 6.198 2.034 1.00 0.00 C ATOM 1078 CG1 ILE B 25 4.043 5.677 2.237 1.00 0.00 C ATOM 1079 CG2 ILE B 25 1.744 5.755 3.207 1.00 0.00 C ATOM 1080 CD1 ILE B 25 4.761 6.545 3.269 1.00 0.00 C ATOM 0 H ILE B 25 3.611 6.862 -0.056 1.00 0.00 H new ATOM 0 HA ILE B 25 1.971 4.545 0.756 1.00 0.00 H new ATOM 0 HB ILE B 25 2.633 7.287 1.981 1.00 0.00 H new ATOM 0 HG12 ILE B 25 4.018 4.640 2.573 1.00 0.00 H new ATOM 0 HG13 ILE B 25 4.586 5.693 1.292 1.00 0.00 H new ATOM 0 HG21 ILE B 25 2.148 6.159 4.135 1.00 0.00 H new ATOM 0 HG22 ILE B 25 0.728 6.124 3.063 1.00 0.00 H new ATOM 0 HG23 ILE B 25 1.731 4.666 3.260 1.00 0.00 H new ATOM 0 HD11 ILE B 25 5.776 6.174 3.414 1.00 0.00 H new ATOM 0 HD12 ILE B 25 4.798 7.575 2.915 1.00 0.00 H new ATOM 0 HD13 ILE B 25 4.222 6.506 4.216 1.00 0.00 H new ATOM 1092 N GLN B 26 0.491 7.124 -0.393 1.00 0.00 N ATOM 1093 CA GLN B 26 -0.866 7.683 -0.666 1.00 0.00 C ATOM 1094 C GLN B 26 -1.754 6.645 -1.365 1.00 0.00 C ATOM 1095 O GLN B 26 -2.944 6.841 -1.518 1.00 0.00 O ATOM 1096 CB GLN B 26 -0.626 8.882 -1.583 1.00 0.00 C ATOM 1097 CG GLN B 26 -1.343 10.111 -1.020 1.00 0.00 C ATOM 1098 CD GLN B 26 -2.843 9.821 -0.907 1.00 0.00 C ATOM 1099 OE1 GLN B 26 -3.376 9.738 0.182 1.00 0.00 O ATOM 1100 NE2 GLN B 26 -3.547 9.660 -1.994 1.00 0.00 N ATOM 0 H GLN B 26 1.249 7.540 -0.933 1.00 0.00 H new ATOM 0 HA GLN B 26 -1.380 7.964 0.254 1.00 0.00 H new ATOM 0 HB2 GLN B 26 0.443 9.079 -1.668 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -0.991 8.664 -2.587 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -0.936 10.366 -0.041 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -1.176 10.971 -1.668 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -3.098 9.730 -2.907 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -4.546 9.464 -1.930 1.00 0.00 H new ATOM 1109 N ALA B 27 -1.192 5.545 -1.792 1.00 0.00 N ATOM 1110 CA ALA B 27 -2.016 4.510 -2.481 1.00 0.00 C ATOM 1111 C ALA B 27 -2.827 3.703 -1.463 1.00 0.00 C ATOM 1112 O ALA B 27 -4.023 3.534 -1.602 1.00 0.00 O ATOM 1113 CB ALA B 27 -1.008 3.611 -3.195 1.00 0.00 C ATOM 0 H ALA B 27 -0.202 5.319 -1.694 1.00 0.00 H new ATOM 0 HA ALA B 27 -2.733 4.952 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -1.538 2.821 -3.727 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -0.431 4.203 -3.905 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -0.335 3.166 -2.462 1.00 0.00 H new ATOM 1119 N LEU B 28 -2.187 3.198 -0.444 1.00 0.00 N ATOM 1120 CA LEU B 28 -2.924 2.398 0.577 1.00 0.00 C ATOM 1121 C LEU B 28 -3.640 3.323 1.568 1.00 0.00 C ATOM 1122 O LEU B 28 -4.555 2.918 2.256 1.00 0.00 O ATOM 1123 CB LEU B 28 -1.847 1.575 1.289 1.00 0.00 C ATOM 1124 CG LEU B 28 -0.878 2.512 2.015 1.00 0.00 C ATOM 1125 CD1 LEU B 28 -1.121 2.423 3.524 1.00 0.00 C ATOM 1126 CD2 LEU B 28 0.561 2.096 1.706 1.00 0.00 C ATOM 0 H LEU B 28 -1.187 3.304 -0.274 1.00 0.00 H new ATOM 0 HA LEU B 28 -3.691 1.766 0.129 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -2.309 0.891 2.001 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.305 0.964 0.567 1.00 0.00 H new ATOM 0 HG LEU B 28 -1.040 3.536 1.679 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -0.432 3.089 4.043 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -2.147 2.717 3.745 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -0.957 1.399 3.859 1.00 0.00 H new ATOM 0 HD21 LEU B 28 1.251 2.763 2.223 1.00 0.00 H new ATOM 0 HD22 LEU B 28 0.724 1.072 2.043 1.00 0.00 H new ATOM 0 HD23 LEU B 28 0.734 2.156 0.632 1.00 0.00 H new ATOM 1138 N LEU B 29 -3.226 4.557 1.653 1.00 0.00 N ATOM 1139 CA LEU B 29 -3.883 5.498 2.608 1.00 0.00 C ATOM 1140 C LEU B 29 -5.226 5.977 2.051 1.00 0.00 C ATOM 1141 O LEU B 29 -6.206 6.072 2.764 1.00 0.00 O ATOM 1142 CB LEU B 29 -2.912 6.672 2.744 1.00 0.00 C ATOM 1143 CG LEU B 29 -2.336 6.702 4.161 1.00 0.00 C ATOM 1144 CD1 LEU B 29 -3.467 6.888 5.173 1.00 0.00 C ATOM 1145 CD2 LEU B 29 -1.611 5.383 4.441 1.00 0.00 C ATOM 0 H LEU B 29 -2.464 4.955 1.105 1.00 0.00 H new ATOM 0 HA LEU B 29 -4.090 5.025 3.568 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -2.107 6.577 2.016 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -3.426 7.609 2.530 1.00 0.00 H new ATOM 0 HG LEU B 29 -1.634 7.531 4.250 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -3.053 6.909 6.181 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -3.983 7.827 4.973 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -4.172 6.061 5.087 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.199 5.401 5.450 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -2.314 4.555 4.351 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -0.803 5.252 3.722 1.00 0.00 H new ATOM 1157 N LYS B 30 -5.282 6.284 0.785 1.00 0.00 N ATOM 1158 CA LYS B 30 -6.565 6.760 0.191 1.00 0.00 C ATOM 1159 C LYS B 30 -7.701 5.785 0.523 1.00 0.00 C ATOM 1160 O LYS B 30 -8.752 6.176 0.992 1.00 0.00 O ATOM 1161 CB LYS B 30 -6.313 6.795 -1.317 1.00 0.00 C ATOM 1162 CG LYS B 30 -7.438 7.571 -2.003 1.00 0.00 C ATOM 1163 CD LYS B 30 -6.993 7.977 -3.411 1.00 0.00 C ATOM 1164 CE LYS B 30 -6.802 6.724 -4.268 1.00 0.00 C ATOM 1165 NZ LYS B 30 -5.676 7.055 -5.185 1.00 0.00 N ATOM 0 H LYS B 30 -4.497 6.226 0.136 1.00 0.00 H new ATOM 0 HA LYS B 30 -6.862 7.734 0.579 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -5.352 7.266 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -6.263 5.780 -1.712 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -8.337 6.957 -2.057 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -7.691 8.457 -1.420 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -7.738 8.631 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -6.062 8.541 -3.361 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -6.568 5.856 -3.652 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -7.708 6.484 -4.825 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -5.484 6.243 -5.806 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -5.931 7.881 -5.763 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -4.826 7.272 -4.627 1.00 0.00 H new ATOM 1179 N ASP B 31 -7.496 4.519 0.283 1.00 0.00 N ATOM 1180 CA ASP B 31 -8.564 3.520 0.585 1.00 0.00 C ATOM 1181 C ASP B 31 -8.710 3.339 2.098 1.00 0.00 C ATOM 1182 O ASP B 31 -9.791 3.112 2.603 1.00 0.00 O ATOM 1183 CB ASP B 31 -8.085 2.222 -0.068 1.00 0.00 C ATOM 1184 CG ASP B 31 -8.701 2.093 -1.463 1.00 0.00 C ATOM 1185 OD1 ASP B 31 -9.916 2.041 -1.550 1.00 0.00 O ATOM 1186 OD2 ASP B 31 -7.947 2.047 -2.420 1.00 0.00 O ATOM 0 H ASP B 31 -6.637 4.132 -0.108 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.539 3.831 0.210 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -6.997 2.218 -0.138 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.368 1.367 0.546 1.00 0.00 H new ATOM 1191 N SER B 32 -7.631 3.435 2.827 1.00 0.00 N ATOM 1192 CA SER B 32 -7.712 3.265 4.305 1.00 0.00 C ATOM 1193 C SER B 32 -8.598 4.352 4.921 1.00 0.00 C ATOM 1194 O SER B 32 -9.455 4.077 5.735 1.00 0.00 O ATOM 1195 CB SER B 32 -6.273 3.402 4.800 1.00 0.00 C ATOM 1196 OG SER B 32 -5.897 4.772 4.784 1.00 0.00 O ATOM 0 H SER B 32 -6.697 3.624 2.462 1.00 0.00 H new ATOM 0 HA SER B 32 -8.150 2.307 4.584 1.00 0.00 H new ATOM 0 HB2 SER B 32 -6.184 3.001 5.810 1.00 0.00 H new ATOM 0 HB3 SER B 32 -5.602 2.822 4.166 1.00 0.00 H new ATOM 0 HG SER B 32 -6.199 5.184 3.948 1.00 0.00 H new ATOM 1202 N ILE B 33 -8.401 5.583 4.536 1.00 0.00 N ATOM 1203 CA ILE B 33 -9.235 6.681 5.104 1.00 0.00 C ATOM 1204 C ILE B 33 -10.714 6.442 4.785 1.00 0.00 C ATOM 1205 O ILE B 33 -11.582 6.671 5.603 1.00 0.00 O ATOM 1206 CB ILE B 33 -8.735 7.956 4.421 1.00 0.00 C ATOM 1207 CG1 ILE B 33 -7.291 8.230 4.851 1.00 0.00 C ATOM 1208 CG2 ILE B 33 -9.617 9.138 4.827 1.00 0.00 C ATOM 1209 CD1 ILE B 33 -7.238 8.420 6.369 1.00 0.00 C ATOM 0 H ILE B 33 -7.701 5.876 3.855 1.00 0.00 H new ATOM 0 HA ILE B 33 -9.152 6.743 6.189 1.00 0.00 H new ATOM 0 HB ILE B 33 -8.778 7.827 3.340 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -6.649 7.401 4.555 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -6.914 9.121 4.349 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -9.258 10.044 4.339 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -10.646 8.945 4.523 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -9.576 9.268 5.908 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -6.210 8.615 6.676 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -7.868 9.264 6.652 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -7.598 7.517 6.862 1.00 0.00 H new ATOM 1221 N VAL B 34 -11.008 5.985 3.599 1.00 0.00 N ATOM 1222 CA VAL B 34 -12.432 5.733 3.229 1.00 0.00 C ATOM 1223 C VAL B 34 -13.033 4.649 4.128 1.00 0.00 C ATOM 1224 O VAL B 34 -14.219 4.636 4.390 1.00 0.00 O ATOM 1225 CB VAL B 34 -12.384 5.260 1.776 1.00 0.00 C ATOM 1226 CG1 VAL B 34 -13.798 4.899 1.311 1.00 0.00 C ATOM 1227 CG2 VAL B 34 -11.829 6.378 0.893 1.00 0.00 C ATOM 0 H VAL B 34 -10.326 5.775 2.870 1.00 0.00 H new ATOM 0 HA VAL B 34 -13.052 6.621 3.350 1.00 0.00 H new ATOM 0 HB VAL B 34 -11.740 4.384 1.701 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -13.765 4.562 0.275 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -14.195 4.102 1.940 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -14.441 5.776 1.387 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -11.795 6.040 -0.143 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -12.473 7.254 0.968 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -10.823 6.637 1.223 1.00 0.00 H new ATOM 1237 N GLN B 35 -12.226 3.738 4.597 1.00 0.00 N ATOM 1238 CA GLN B 35 -12.755 2.656 5.476 1.00 0.00 C ATOM 1239 C GLN B 35 -12.486 2.984 6.947 1.00 0.00 C ATOM 1240 O GLN B 35 -13.193 2.539 7.830 1.00 0.00 O ATOM 1241 CB GLN B 35 -11.991 1.397 5.058 1.00 0.00 C ATOM 1242 CG GLN B 35 -12.984 0.301 4.673 1.00 0.00 C ATOM 1243 CD GLN B 35 -13.150 -0.671 5.845 1.00 0.00 C ATOM 1244 OE1 GLN B 35 -12.843 -0.339 6.972 1.00 0.00 O ATOM 1245 NE2 GLN B 35 -13.631 -1.863 5.624 1.00 0.00 N ATOM 0 H GLN B 35 -11.224 3.695 4.410 1.00 0.00 H new ATOM 0 HA GLN B 35 -13.833 2.533 5.373 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -11.335 1.620 4.217 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -11.356 1.056 5.876 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -13.946 0.742 4.413 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -12.629 -0.233 3.791 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -13.889 -2.141 4.677 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -13.749 -2.517 6.398 1.00 0.00 H new ATOM 1254 N LEU B 36 -11.473 3.759 7.216 1.00 0.00 N ATOM 1255 CA LEU B 36 -11.162 4.113 8.632 1.00 0.00 C ATOM 1256 C LEU B 36 -12.103 5.219 9.117 1.00 0.00 C ATOM 1257 O LEU B 36 -12.362 5.353 10.296 1.00 0.00 O ATOM 1258 CB LEU B 36 -9.716 4.607 8.607 1.00 0.00 C ATOM 1259 CG LEU B 36 -8.770 3.413 8.753 1.00 0.00 C ATOM 1260 CD1 LEU B 36 -7.621 3.541 7.750 1.00 0.00 C ATOM 1261 CD2 LEU B 36 -8.202 3.383 10.174 1.00 0.00 C ATOM 0 H LEU B 36 -10.847 4.163 6.519 1.00 0.00 H new ATOM 0 HA LEU B 36 -11.291 3.269 9.309 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -9.515 5.132 7.673 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -9.549 5.319 9.415 1.00 0.00 H new ATOM 0 HG LEU B 36 -9.320 2.492 8.559 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.949 2.690 7.856 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -8.023 3.562 6.737 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -7.072 4.463 7.942 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.528 2.533 10.279 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -7.655 4.306 10.367 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -9.018 3.289 10.890 1.00 0.00 H new ATOM 1273 N CYS B 37 -12.618 6.009 8.217 1.00 0.00 N ATOM 1274 CA CYS B 37 -13.545 7.104 8.627 1.00 0.00 C ATOM 1275 C CYS B 37 -14.682 6.539 9.482 1.00 0.00 C ATOM 1276 O CYS B 37 -15.254 7.226 10.307 1.00 0.00 O ATOM 1277 CB CYS B 37 -14.093 7.673 7.317 1.00 0.00 C ATOM 1278 SG CYS B 37 -13.487 9.365 7.090 1.00 0.00 S ATOM 0 H CYS B 37 -12.438 5.945 7.215 1.00 0.00 H new ATOM 0 HA CYS B 37 -13.045 7.866 9.224 1.00 0.00 H new ATOM 0 HB2 CYS B 37 -13.782 7.049 6.479 1.00 0.00 H new ATOM 0 HB3 CYS B 37 -15.183 7.665 7.333 1.00 0.00 H new ATOM 1283 N THR B 38 -15.017 5.291 9.292 1.00 0.00 N ATOM 1284 CA THR B 38 -16.118 4.684 10.093 1.00 0.00 C ATOM 1285 C THR B 38 -15.578 4.094 11.403 1.00 0.00 C ATOM 1286 O THR B 38 -16.309 3.501 12.170 1.00 0.00 O ATOM 1287 CB THR B 38 -16.683 3.579 9.204 1.00 0.00 C ATOM 1288 OG1 THR B 38 -17.016 4.123 7.934 1.00 0.00 O ATOM 1289 CG2 THR B 38 -17.936 2.989 9.853 1.00 0.00 C ATOM 0 H THR B 38 -14.576 4.666 8.617 1.00 0.00 H new ATOM 0 HA THR B 38 -16.873 5.419 10.372 1.00 0.00 H new ATOM 0 HB THR B 38 -15.938 2.793 9.081 1.00 0.00 H new ATOM 0 HG1 THR B 38 -17.378 3.416 7.360 1.00 0.00 H new ATOM 0 HG21 THR B 38 -18.338 2.200 9.217 1.00 0.00 H new ATOM 0 HG22 THR B 38 -17.680 2.574 10.828 1.00 0.00 H new ATOM 0 HG23 THR B 38 -18.684 3.772 9.977 1.00 0.00 H new ATOM 1297 N ALA B 39 -14.306 4.247 11.669 1.00 0.00 N ATOM 1298 CA ALA B 39 -13.737 3.692 12.933 1.00 0.00 C ATOM 1299 C ALA B 39 -14.080 2.205 13.061 1.00 0.00 C ATOM 1300 O ALA B 39 -14.223 1.683 14.150 1.00 0.00 O ATOM 1301 CB ALA B 39 -14.403 4.492 14.050 1.00 0.00 C ATOM 0 H ALA B 39 -13.639 4.731 11.068 1.00 0.00 H new ATOM 0 HA ALA B 39 -12.650 3.771 12.966 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -14.037 4.143 15.016 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -14.165 5.549 13.932 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -15.483 4.355 14.001 1.00 0.00 H new ATOM 1307 N ARG B 40 -14.215 1.524 11.961 1.00 0.00 N ATOM 1308 CA ARG B 40 -14.550 0.071 12.015 1.00 0.00 C ATOM 1309 C ARG B 40 -13.415 -0.724 12.675 1.00 0.00 C ATOM 1310 O ARG B 40 -13.638 -1.425 13.642 1.00 0.00 O ATOM 1311 CB ARG B 40 -14.723 -0.355 10.557 1.00 0.00 C ATOM 1312 CG ARG B 40 -16.188 -0.709 10.297 1.00 0.00 C ATOM 1313 CD ARG B 40 -16.309 -1.411 8.944 1.00 0.00 C ATOM 1314 NE ARG B 40 -17.774 -1.531 8.703 1.00 0.00 N ATOM 1315 CZ ARG B 40 -18.266 -1.251 7.527 1.00 0.00 C ATOM 1316 NH1 ARG B 40 -17.648 -1.652 6.448 1.00 0.00 N ATOM 1317 NH2 ARG B 40 -19.374 -0.569 7.428 1.00 0.00 N ATOM 0 H ARG B 40 -14.108 1.909 11.023 1.00 0.00 H new ATOM 0 HA ARG B 40 -15.447 -0.116 12.605 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -14.409 0.450 9.893 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -14.087 -1.213 10.340 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -16.563 -1.356 11.090 1.00 0.00 H new ATOM 0 HG3 ARG B 40 -16.799 0.194 10.307 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -15.825 -0.835 8.155 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -15.830 -2.390 8.963 1.00 0.00 H new ATOM 0 HE ARG B 40 -18.392 -1.832 9.456 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -16.781 -2.184 6.525 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -18.033 -1.433 5.529 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -19.856 -0.254 8.270 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -19.758 -0.350 6.509 1.00 0.00 H new ATOM 1331 N PRO B 41 -12.230 -0.597 12.129 1.00 0.00 N ATOM 1332 CA PRO B 41 -11.061 -1.326 12.679 1.00 0.00 C ATOM 1333 C PRO B 41 -10.601 -0.699 13.997 1.00 0.00 C ATOM 1334 O PRO B 41 -9.865 0.268 14.012 1.00 0.00 O ATOM 1335 CB PRO B 41 -9.994 -1.164 11.600 1.00 0.00 C ATOM 1336 CG PRO B 41 -10.373 0.082 10.862 1.00 0.00 C ATOM 1337 CD PRO B 41 -11.870 0.224 10.965 1.00 0.00 C ATOM 0 HA PRO B 41 -11.280 -2.370 12.903 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -9.000 -1.076 12.038 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -9.973 -2.026 10.933 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -9.874 0.950 11.292 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -10.063 0.020 9.819 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -12.163 1.265 11.106 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -12.367 -0.127 10.061 1.00 0.00 H new ATOM 1345 N GLU B 42 -11.024 -1.245 15.105 1.00 0.00 N ATOM 1346 CA GLU B 42 -10.601 -0.680 16.421 1.00 0.00 C ATOM 1347 C GLU B 42 -9.079 -0.757 16.547 1.00 0.00 C ATOM 1348 O GLU B 42 -8.440 0.135 17.068 1.00 0.00 O ATOM 1349 CB GLU B 42 -11.275 -1.564 17.473 1.00 0.00 C ATOM 1350 CG GLU B 42 -12.779 -1.635 17.200 1.00 0.00 C ATOM 1351 CD GLU B 42 -13.538 -1.693 18.527 1.00 0.00 C ATOM 1352 OE1 GLU B 42 -13.412 -2.691 19.216 1.00 0.00 O ATOM 1353 OE2 GLU B 42 -14.232 -0.736 18.831 1.00 0.00 O ATOM 0 H GLU B 42 -11.642 -2.055 15.157 1.00 0.00 H new ATOM 0 HA GLU B 42 -10.884 0.366 16.537 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -10.844 -2.565 17.451 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -11.095 -1.161 18.470 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -13.096 -0.765 16.625 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -13.009 -2.515 16.599 1.00 0.00 H new ATOM 1360 N ARG B 43 -8.494 -1.821 16.065 1.00 0.00 N ATOM 1361 CA ARG B 43 -7.013 -1.960 16.145 1.00 0.00 C ATOM 1362 C ARG B 43 -6.418 -1.990 14.733 1.00 0.00 C ATOM 1363 O ARG B 43 -6.320 -3.039 14.127 1.00 0.00 O ATOM 1364 CB ARG B 43 -6.776 -3.292 16.857 1.00 0.00 C ATOM 1365 CG ARG B 43 -5.273 -3.505 17.052 1.00 0.00 C ATOM 1366 CD ARG B 43 -4.991 -4.996 17.259 1.00 0.00 C ATOM 1367 NE ARG B 43 -5.234 -5.234 18.708 1.00 0.00 N ATOM 1368 CZ ARG B 43 -4.715 -6.279 19.292 1.00 0.00 C ATOM 1369 NH1 ARG B 43 -5.234 -7.461 19.096 1.00 0.00 N ATOM 1370 NH2 ARG B 43 -3.678 -6.143 20.073 1.00 0.00 N ATOM 0 H ARG B 43 -8.979 -2.600 15.619 1.00 0.00 H new ATOM 0 HA ARG B 43 -6.544 -1.131 16.675 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -7.283 -3.296 17.822 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -7.197 -4.110 16.272 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -4.727 -3.138 16.183 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -4.923 -2.935 17.912 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -5.646 -5.611 16.642 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -3.966 -5.246 16.984 1.00 0.00 H new ATOM 0 HE ARG B 43 -5.806 -4.581 19.244 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -6.045 -7.567 18.486 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -4.828 -8.278 19.552 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -3.273 -5.220 20.227 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -3.273 -6.960 20.529 1.00 0.00 H new ATOM 1384 N PRO B 44 -6.042 -0.833 14.245 1.00 0.00 N ATOM 1385 CA PRO B 44 -5.459 -0.738 12.884 1.00 0.00 C ATOM 1386 C PRO B 44 -4.061 -1.366 12.847 1.00 0.00 C ATOM 1387 O PRO B 44 -3.521 -1.633 11.791 1.00 0.00 O ATOM 1388 CB PRO B 44 -5.395 0.764 12.625 1.00 0.00 C ATOM 1389 CG PRO B 44 -5.346 1.385 13.983 1.00 0.00 C ATOM 1390 CD PRO B 44 -6.119 0.480 14.903 1.00 0.00 C ATOM 0 HA PRO B 44 -6.042 -1.269 12.132 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -4.515 1.027 12.038 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -6.265 1.106 12.065 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -4.316 1.492 14.322 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -5.782 2.384 13.967 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -5.681 0.454 15.901 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -7.151 0.811 15.017 1.00 0.00 H new ATOM 1398 N MET B 45 -3.471 -1.607 13.986 1.00 0.00 N ATOM 1399 CA MET B 45 -2.111 -2.221 14.003 1.00 0.00 C ATOM 1400 C MET B 45 -2.132 -3.563 13.270 1.00 0.00 C ATOM 1401 O MET B 45 -1.323 -3.822 12.401 1.00 0.00 O ATOM 1402 CB MET B 45 -1.785 -2.419 15.484 1.00 0.00 C ATOM 1403 CG MET B 45 -0.927 -1.255 15.979 1.00 0.00 C ATOM 1404 SD MET B 45 -1.572 -0.657 17.563 1.00 0.00 S ATOM 1405 CE MET B 45 -0.501 0.795 17.712 1.00 0.00 C ATOM 0 H MET B 45 -3.870 -1.406 14.903 1.00 0.00 H new ATOM 0 HA MET B 45 -1.368 -1.599 13.504 1.00 0.00 H new ATOM 0 HB2 MET B 45 -2.705 -2.478 16.065 1.00 0.00 H new ATOM 0 HB3 MET B 45 -1.256 -3.361 15.628 1.00 0.00 H new ATOM 0 HG2 MET B 45 0.108 -1.576 16.094 1.00 0.00 H new ATOM 0 HG3 MET B 45 -0.931 -0.449 15.245 1.00 0.00 H new ATOM 0 HE1 MET B 45 -0.079 0.835 18.716 1.00 0.00 H new ATOM 0 HE2 MET B 45 0.306 0.729 16.982 1.00 0.00 H new ATOM 0 HE3 MET B 45 -1.084 1.697 17.527 1.00 0.00 H new ATOM 1415 N ALA B 46 -3.056 -4.420 13.610 1.00 0.00 N ATOM 1416 CA ALA B 46 -3.131 -5.747 12.931 1.00 0.00 C ATOM 1417 C ALA B 46 -4.034 -5.653 11.696 1.00 0.00 C ATOM 1418 O ALA B 46 -3.842 -6.350 10.716 1.00 0.00 O ATOM 1419 CB ALA B 46 -3.737 -6.691 13.970 1.00 0.00 C ATOM 0 H ALA B 46 -3.762 -4.260 14.328 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.156 -6.094 12.588 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -3.825 -7.691 13.545 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -3.094 -6.726 14.849 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -4.725 -6.330 14.257 1.00 0.00 H new ATOM 1425 N PHE B 47 -5.017 -4.796 11.735 1.00 0.00 N ATOM 1426 CA PHE B 47 -5.927 -4.657 10.563 1.00 0.00 C ATOM 1427 C PHE B 47 -5.108 -4.386 9.295 1.00 0.00 C ATOM 1428 O PHE B 47 -5.476 -4.787 8.210 1.00 0.00 O ATOM 1429 CB PHE B 47 -6.824 -3.461 10.891 1.00 0.00 C ATOM 1430 CG PHE B 47 -8.017 -3.458 9.966 1.00 0.00 C ATOM 1431 CD1 PHE B 47 -9.029 -4.431 10.114 1.00 0.00 C ATOM 1432 CD2 PHE B 47 -8.121 -2.479 8.953 1.00 0.00 C ATOM 1433 CE1 PHE B 47 -10.146 -4.428 9.248 1.00 0.00 C ATOM 1434 CE2 PHE B 47 -9.238 -2.475 8.088 1.00 0.00 C ATOM 1435 CZ PHE B 47 -10.250 -3.449 8.236 1.00 0.00 C ATOM 0 H PHE B 47 -5.229 -4.187 12.526 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.510 -5.560 10.381 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -7.155 -3.515 11.928 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -6.264 -2.532 10.783 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -8.950 -5.178 10.890 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -7.347 -1.734 8.840 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -10.919 -5.174 9.360 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -9.318 -1.727 7.313 1.00 0.00 H new ATOM 0 HZ PHE B 47 -11.104 -3.445 7.575 1.00 0.00 H new ATOM 1445 N LEU B 48 -3.996 -3.715 9.430 1.00 0.00 N ATOM 1446 CA LEU B 48 -3.150 -3.427 8.236 1.00 0.00 C ATOM 1447 C LEU B 48 -2.830 -4.736 7.504 1.00 0.00 C ATOM 1448 O LEU B 48 -2.945 -4.832 6.299 1.00 0.00 O ATOM 1449 CB LEU B 48 -1.875 -2.791 8.797 1.00 0.00 C ATOM 1450 CG LEU B 48 -0.837 -2.635 7.683 1.00 0.00 C ATOM 1451 CD1 LEU B 48 -0.028 -1.355 7.908 1.00 0.00 C ATOM 1452 CD2 LEU B 48 0.107 -3.841 7.691 1.00 0.00 C ATOM 0 H LEU B 48 -3.637 -3.354 10.314 1.00 0.00 H new ATOM 0 HA LEU B 48 -3.643 -2.771 7.519 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -2.104 -1.818 9.231 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -1.471 -3.410 9.598 1.00 0.00 H new ATOM 0 HG LEU B 48 -1.347 -2.577 6.721 1.00 0.00 H new ATOM 0 HD11 LEU B 48 0.710 -1.247 7.113 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -0.698 -0.495 7.901 1.00 0.00 H new ATOM 0 HD13 LEU B 48 0.481 -1.410 8.870 1.00 0.00 H new ATOM 0 HD21 LEU B 48 0.846 -3.730 6.898 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.614 -3.900 8.654 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -0.467 -4.753 7.527 1.00 0.00 H new ATOM 1464 N ARG B 49 -2.437 -5.747 8.230 1.00 0.00 N ATOM 1465 CA ARG B 49 -2.118 -7.049 7.582 1.00 0.00 C ATOM 1466 C ARG B 49 -3.348 -7.573 6.840 1.00 0.00 C ATOM 1467 O ARG B 49 -3.284 -7.915 5.676 1.00 0.00 O ATOM 1468 CB ARG B 49 -1.745 -7.982 8.735 1.00 0.00 C ATOM 1469 CG ARG B 49 -1.512 -9.396 8.197 1.00 0.00 C ATOM 1470 CD ARG B 49 -1.284 -10.356 9.367 1.00 0.00 C ATOM 1471 NE ARG B 49 -2.572 -11.089 9.518 1.00 0.00 N ATOM 1472 CZ ARG B 49 -2.572 -12.386 9.655 1.00 0.00 C ATOM 1473 NH1 ARG B 49 -2.481 -13.153 8.603 1.00 0.00 N ATOM 1474 NH2 ARG B 49 -2.659 -12.917 10.846 1.00 0.00 N ATOM 0 H ARG B 49 -2.323 -5.727 9.243 1.00 0.00 H new ATOM 0 HA ARG B 49 -1.313 -6.968 6.851 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -0.846 -7.619 9.234 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -2.541 -7.992 9.480 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -2.371 -9.719 7.610 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -0.649 -9.406 7.531 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -0.461 -11.041 9.161 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -1.028 -9.815 10.278 1.00 0.00 H new ATOM 0 HE ARG B 49 -3.454 -10.577 9.514 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -2.410 -12.738 7.674 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -2.481 -14.167 8.710 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -2.727 -12.317 11.668 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -2.659 -13.931 10.953 1.00 0.00 H new ATOM 1488 N GLU B 50 -4.472 -7.631 7.503 1.00 0.00 N ATOM 1489 CA GLU B 50 -5.709 -8.129 6.833 1.00 0.00 C ATOM 1490 C GLU B 50 -6.386 -7.007 6.032 1.00 0.00 C ATOM 1491 O GLU B 50 -7.482 -7.169 5.532 1.00 0.00 O ATOM 1492 CB GLU B 50 -6.617 -8.592 7.975 1.00 0.00 C ATOM 1493 CG GLU B 50 -6.524 -10.113 8.118 1.00 0.00 C ATOM 1494 CD GLU B 50 -7.280 -10.555 9.371 1.00 0.00 C ATOM 1495 OE1 GLU B 50 -6.816 -10.252 10.459 1.00 0.00 O ATOM 1496 OE2 GLU B 50 -8.313 -11.188 9.223 1.00 0.00 O ATOM 0 H GLU B 50 -4.587 -7.356 8.478 1.00 0.00 H new ATOM 0 HA GLU B 50 -5.493 -8.929 6.125 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -6.321 -8.110 8.907 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -7.647 -8.297 7.777 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -6.944 -10.598 7.237 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -5.480 -10.420 8.183 1.00 0.00 H new ATOM 1503 N TYR B 51 -5.745 -5.876 5.903 1.00 0.00 N ATOM 1504 CA TYR B 51 -6.359 -4.753 5.133 1.00 0.00 C ATOM 1505 C TYR B 51 -5.991 -4.875 3.648 1.00 0.00 C ATOM 1506 O TYR B 51 -6.844 -5.055 2.802 1.00 0.00 O ATOM 1507 CB TYR B 51 -5.756 -3.486 5.754 1.00 0.00 C ATOM 1508 CG TYR B 51 -6.049 -2.282 4.885 1.00 0.00 C ATOM 1509 CD1 TYR B 51 -7.322 -1.669 4.927 1.00 0.00 C ATOM 1510 CD2 TYR B 51 -5.047 -1.772 4.030 1.00 0.00 C ATOM 1511 CE1 TYR B 51 -7.592 -0.545 4.114 1.00 0.00 C ATOM 1512 CE2 TYR B 51 -5.314 -0.649 3.218 1.00 0.00 C ATOM 1513 CZ TYR B 51 -6.587 -0.035 3.258 1.00 0.00 C ATOM 1514 OH TYR B 51 -6.849 1.062 2.463 1.00 0.00 O ATOM 0 H TYR B 51 -4.824 -5.680 6.296 1.00 0.00 H new ATOM 0 HA TYR B 51 -7.448 -4.747 5.182 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -6.167 -3.331 6.752 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -4.679 -3.607 5.868 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -8.088 -2.060 5.580 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -4.075 -2.242 3.998 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -8.564 -0.076 4.146 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -4.546 -0.259 2.566 1.00 0.00 H new ATOM 0 HH TYR B 51 -6.032 1.594 2.360 1.00 0.00 H new ATOM 1524 N PHE B 52 -4.730 -4.772 3.326 1.00 0.00 N ATOM 1525 CA PHE B 52 -4.316 -4.874 1.898 1.00 0.00 C ATOM 1526 C PHE B 52 -4.120 -6.339 1.496 1.00 0.00 C ATOM 1527 O PHE B 52 -4.180 -6.684 0.332 1.00 0.00 O ATOM 1528 CB PHE B 52 -2.993 -4.112 1.817 1.00 0.00 C ATOM 1529 CG PHE B 52 -2.958 -3.285 0.553 1.00 0.00 C ATOM 1530 CD1 PHE B 52 -2.891 -3.921 -0.706 1.00 0.00 C ATOM 1531 CD2 PHE B 52 -2.990 -1.875 0.633 1.00 0.00 C ATOM 1532 CE1 PHE B 52 -2.855 -3.145 -1.888 1.00 0.00 C ATOM 1533 CE2 PHE B 52 -2.955 -1.099 -0.548 1.00 0.00 C ATOM 1534 CZ PHE B 52 -2.888 -1.735 -1.807 1.00 0.00 C ATOM 0 H PHE B 52 -3.970 -4.622 3.989 1.00 0.00 H new ATOM 0 HA PHE B 52 -5.068 -4.465 1.223 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.880 -3.467 2.688 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -2.158 -4.812 1.828 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.867 -4.999 -0.766 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -3.041 -1.390 1.597 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -2.802 -3.630 -2.852 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -2.979 -0.021 -0.487 1.00 0.00 H new ATOM 0 HZ PHE B 52 -2.862 -1.142 -2.710 1.00 0.00 H new ATOM 1544 N GLU B 53 -3.886 -7.208 2.443 1.00 0.00 N ATOM 1545 CA GLU B 53 -3.690 -8.646 2.099 1.00 0.00 C ATOM 1546 C GLU B 53 -4.963 -9.215 1.469 1.00 0.00 C ATOM 1547 O GLU B 53 -4.911 -10.059 0.594 1.00 0.00 O ATOM 1548 CB GLU B 53 -3.395 -9.340 3.428 1.00 0.00 C ATOM 1549 CG GLU B 53 -3.262 -10.847 3.199 1.00 0.00 C ATOM 1550 CD GLU B 53 -4.265 -11.589 4.083 1.00 0.00 C ATOM 1551 OE1 GLU B 53 -5.449 -11.324 3.954 1.00 0.00 O ATOM 1552 OE2 GLU B 53 -3.833 -12.411 4.876 1.00 0.00 O ATOM 0 H GLU B 53 -3.822 -6.985 3.436 1.00 0.00 H new ATOM 0 HA GLU B 53 -2.885 -8.790 1.379 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -2.476 -8.945 3.861 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -4.195 -9.139 4.141 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -3.442 -11.083 2.150 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -2.248 -11.172 3.430 1.00 0.00 H new ATOM 1559 N LYS B 54 -6.106 -8.762 1.905 1.00 0.00 N ATOM 1560 CA LYS B 54 -7.381 -9.278 1.329 1.00 0.00 C ATOM 1561 C LYS B 54 -7.776 -8.458 0.099 1.00 0.00 C ATOM 1562 O LYS B 54 -8.167 -8.997 -0.918 1.00 0.00 O ATOM 1563 CB LYS B 54 -8.414 -9.107 2.444 1.00 0.00 C ATOM 1564 CG LYS B 54 -8.093 -10.068 3.590 1.00 0.00 C ATOM 1565 CD LYS B 54 -9.140 -9.912 4.697 1.00 0.00 C ATOM 1566 CE LYS B 54 -9.278 -11.230 5.458 1.00 0.00 C ATOM 1567 NZ LYS B 54 -10.666 -11.692 5.178 1.00 0.00 N ATOM 0 H LYS B 54 -6.213 -8.057 2.635 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.299 -10.315 1.004 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -8.408 -8.079 2.805 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -9.415 -9.304 2.060 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -8.084 -11.095 3.225 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -7.098 -9.861 3.984 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -8.847 -9.115 5.380 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -10.100 -9.626 4.267 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -8.543 -11.960 5.120 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -9.117 -11.088 6.527 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -10.837 -12.594 5.667 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -11.344 -10.980 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -10.787 -11.825 4.154 1.00 0.00 H new ATOM 1581 N LEU B 55 -7.675 -7.161 0.181 1.00 0.00 N ATOM 1582 CA LEU B 55 -8.044 -6.311 -0.987 1.00 0.00 C ATOM 1583 C LEU B 55 -7.262 -6.751 -2.227 1.00 0.00 C ATOM 1584 O LEU B 55 -7.759 -6.710 -3.335 1.00 0.00 O ATOM 1585 CB LEU B 55 -7.657 -4.886 -0.585 1.00 0.00 C ATOM 1586 CG LEU B 55 -8.923 -4.048 -0.398 1.00 0.00 C ATOM 1587 CD1 LEU B 55 -8.547 -2.668 0.145 1.00 0.00 C ATOM 1588 CD2 LEU B 55 -9.631 -3.888 -1.745 1.00 0.00 C ATOM 0 H LEU B 55 -7.353 -6.652 1.005 1.00 0.00 H new ATOM 0 HA LEU B 55 -9.103 -6.388 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -7.078 -4.902 0.339 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -7.023 -4.440 -1.351 1.00 0.00 H new ATOM 0 HG LEU B 55 -9.588 -4.547 0.307 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -9.449 -2.071 0.278 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -8.041 -2.780 1.104 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -7.882 -2.168 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -10.533 -3.291 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -8.965 -3.389 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -9.899 -4.870 -2.134 1.00 0.00 H new ATOM 1600 N GLU B 56 -6.040 -7.173 -2.049 1.00 0.00 N ATOM 1601 CA GLU B 56 -5.226 -7.617 -3.217 1.00 0.00 C ATOM 1602 C GLU B 56 -5.554 -9.072 -3.566 1.00 0.00 C ATOM 1603 O GLU B 56 -5.440 -9.489 -4.702 1.00 0.00 O ATOM 1604 CB GLU B 56 -3.772 -7.490 -2.760 1.00 0.00 C ATOM 1605 CG GLU B 56 -2.839 -7.894 -3.904 1.00 0.00 C ATOM 1606 CD GLU B 56 -1.796 -8.884 -3.388 1.00 0.00 C ATOM 1607 OE1 GLU B 56 -0.768 -8.434 -2.907 1.00 0.00 O ATOM 1608 OE2 GLU B 56 -2.041 -10.076 -3.481 1.00 0.00 O ATOM 0 H GLU B 56 -5.570 -7.230 -1.146 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.425 -7.023 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.565 -6.465 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.596 -8.125 -1.892 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -3.413 -8.344 -4.714 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -2.347 -7.012 -4.314 1.00 0.00 H new ATOM 1615 N LYS B 57 -5.960 -9.846 -2.598 1.00 0.00 N ATOM 1616 CA LYS B 57 -6.296 -11.273 -2.877 1.00 0.00 C ATOM 1617 C LYS B 57 -7.543 -11.360 -3.759 1.00 0.00 C ATOM 1618 O LYS B 57 -7.646 -12.210 -4.621 1.00 0.00 O ATOM 1619 CB LYS B 57 -6.566 -11.892 -1.504 1.00 0.00 C ATOM 1620 CG LYS B 57 -6.788 -13.397 -1.659 1.00 0.00 C ATOM 1621 CD LYS B 57 -6.599 -14.083 -0.303 1.00 0.00 C ATOM 1622 CE LYS B 57 -6.395 -15.585 -0.514 1.00 0.00 C ATOM 1623 NZ LYS B 57 -7.367 -16.238 0.406 1.00 0.00 N ATOM 0 H LYS B 57 -6.074 -9.554 -1.627 1.00 0.00 H new ATOM 0 HA LYS B 57 -5.496 -11.790 -3.407 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -5.725 -11.704 -0.837 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -7.442 -11.429 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -7.791 -13.590 -2.040 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -6.087 -13.806 -2.386 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -5.739 -13.658 0.215 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -7.470 -13.909 0.329 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -6.581 -15.867 -1.550 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -5.372 -15.881 -0.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -7.287 -17.271 0.319 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -7.161 -15.956 1.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -8.333 -15.943 0.157 1.00 0.00 H new ATOM 1637 N GLU B 58 -8.489 -10.485 -3.554 1.00 0.00 N ATOM 1638 CA GLU B 58 -9.728 -10.517 -4.383 1.00 0.00 C ATOM 1639 C GLU B 58 -9.533 -9.690 -5.656 1.00 0.00 C ATOM 1640 O GLU B 58 -10.273 -8.764 -5.926 1.00 0.00 O ATOM 1641 CB GLU B 58 -10.812 -9.897 -3.502 1.00 0.00 C ATOM 1642 CG GLU B 58 -11.023 -10.769 -2.263 1.00 0.00 C ATOM 1643 CD GLU B 58 -11.870 -10.008 -1.241 1.00 0.00 C ATOM 1644 OE1 GLU B 58 -12.979 -9.632 -1.584 1.00 0.00 O ATOM 1645 OE2 GLU B 58 -11.397 -9.817 -0.133 1.00 0.00 O ATOM 0 H GLU B 58 -8.458 -9.749 -2.848 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.988 -11.528 -4.697 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.522 -8.889 -3.205 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -11.744 -9.809 -4.061 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -11.518 -11.700 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -10.061 -11.037 -1.826 1.00 0.00 H new