USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 488 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 38 GLN : amide:sc= -6.75! C(o=-8.5!,f=-15!) USER MOD Set 1.2: A 66 ASN : amide:sc= -1.78 K(o=-8.5,f=-10) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -171:sc= -1.94! (180deg=-2.11!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -3.16! C(o=-3.2!,f=-4.1!) USER MOD Single : A 16 LYS NZ :NH3+ -131:sc= -0.549 (180deg=-2.25!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0171 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS :FLIP no HD1:sc= -7.33! C(o=-9.1!,f=-7.3!) USER MOD Single : A 35 SER OG : rot -61:sc= -0.488 USER MOD Single : A 39 ASN : amide:sc= -2.14! C(o=-2.1!,f=-6.2!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 53:sc= 0.25 USER MOD Single : A 49 GLN :FLIP amide:sc= -5.61! C(o=-9.7!,f=-5.6!) USER MOD Single : A 50 LYS NZ :NH3+ 146:sc= -0.171 (180deg=-1.13) USER MOD Single : A 52 SER OG : rot -66:sc= 0.352 USER MOD Single : A 54 THR OG1 : rot -72:sc= 1.07 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N GLY A 3 -8.596 -1.122 12.978 1.00 0.00 N ATOM 13 CA GLY A 3 -9.330 -0.594 11.839 1.00 0.00 C ATOM 14 C GLY A 3 -8.409 -0.555 10.619 1.00 0.00 C ATOM 15 O GLY A 3 -7.184 -0.485 10.805 1.00 0.00 O ATOM 0 HA2 GLY A 3 -10.200 -1.217 11.632 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.700 0.407 12.062 1.00 0.00 H new ATOM 19 N LYS A 4 -9.004 -0.599 9.414 1.00 0.00 N ATOM 20 CA LYS A 4 -8.241 -0.569 8.176 1.00 0.00 C ATOM 21 C LYS A 4 -8.134 0.876 7.683 1.00 0.00 C ATOM 22 O LYS A 4 -8.945 1.708 8.115 1.00 0.00 O ATOM 23 CB LYS A 4 -8.850 -1.526 7.149 1.00 0.00 C ATOM 24 CG LYS A 4 -8.254 -2.928 7.285 1.00 0.00 C ATOM 25 CD LYS A 4 -9.303 -3.922 7.786 1.00 0.00 C ATOM 26 CE LYS A 4 -8.652 -5.241 8.209 1.00 0.00 C ATOM 27 NZ LYS A 4 -9.424 -6.385 7.697 1.00 0.00 N ATOM 0 H LYS A 4 -10.014 -0.656 9.282 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.225 -0.924 8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.931 -1.572 7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.671 -1.147 6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.866 -3.258 6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.411 -2.904 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.843 -3.492 8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.036 -4.109 7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.630 -5.286 7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.593 -5.292 9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.968 -7.272 7.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.391 -6.349 8.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.458 -6.344 6.658 1.00 0.00 H new ATOM 41 N MET A 5 -7.150 1.141 6.805 1.00 0.00 N ATOM 42 CA MET A 5 -6.941 2.471 6.262 1.00 0.00 C ATOM 43 C MET A 5 -6.618 2.363 4.770 1.00 0.00 C ATOM 44 O MET A 5 -6.128 1.306 4.347 1.00 0.00 O ATOM 45 CB MET A 5 -5.787 3.167 6.986 1.00 0.00 C ATOM 46 CG MET A 5 -4.829 2.143 7.600 1.00 0.00 C ATOM 47 SD MET A 5 -3.489 2.997 8.481 1.00 0.00 S ATOM 48 CE MET A 5 -3.656 4.662 7.773 1.00 0.00 C ATOM 0 H MET A 5 -6.492 0.441 6.463 1.00 0.00 H new ATOM 0 HA MET A 5 -7.848 3.058 6.403 1.00 0.00 H new ATOM 0 HB2 MET A 5 -5.245 3.804 6.287 1.00 0.00 H new ATOM 0 HB3 MET A 5 -6.182 3.816 7.768 1.00 0.00 H new ATOM 0 HG2 MET A 5 -5.370 1.492 8.287 1.00 0.00 H new ATOM 0 HG3 MET A 5 -4.414 1.507 6.818 1.00 0.00 H new ATOM 0 HE1 MET A 5 -2.810 5.276 8.083 1.00 0.00 H new ATOM 0 HE2 MET A 5 -3.676 4.595 6.685 1.00 0.00 H new ATOM 0 HE3 MET A 5 -4.582 5.116 8.125 1.00 0.00 H new ATOM 58 N THR A 6 -6.893 3.442 4.015 1.00 0.00 N ATOM 59 CA THR A 6 -6.633 3.468 2.586 1.00 0.00 C ATOM 60 C THR A 6 -5.215 3.984 2.339 1.00 0.00 C ATOM 61 O THR A 6 -4.611 4.523 3.279 1.00 0.00 O ATOM 62 CB THR A 6 -7.714 4.313 1.907 1.00 0.00 C ATOM 63 OG1 THR A 6 -7.436 5.642 2.338 1.00 0.00 O ATOM 64 CG2 THR A 6 -9.112 4.026 2.458 1.00 0.00 C ATOM 0 H THR A 6 -7.296 4.304 4.383 1.00 0.00 H new ATOM 0 HA THR A 6 -6.681 2.469 2.152 1.00 0.00 H new ATOM 0 HB THR A 6 -7.702 4.125 0.833 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.089 6.257 1.943 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.841 4.651 1.943 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.357 2.976 2.299 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.135 4.246 3.525 1.00 0.00 H new ATOM 72 N GLY A 7 -4.718 3.813 1.101 1.00 0.00 N ATOM 73 CA GLY A 7 -3.383 4.259 0.737 1.00 0.00 C ATOM 74 C GLY A 7 -2.957 3.573 -0.562 1.00 0.00 C ATOM 75 O GLY A 7 -3.173 2.358 -0.687 1.00 0.00 O ATOM 0 H GLY A 7 -5.231 3.366 0.341 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.371 5.342 0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.678 4.023 1.534 1.00 0.00 H new ATOM 79 N ILE A 8 -2.371 4.352 -1.489 1.00 0.00 N ATOM 80 CA ILE A 8 -1.920 3.822 -2.765 1.00 0.00 C ATOM 81 C ILE A 8 -0.457 3.391 -2.646 1.00 0.00 C ATOM 82 O ILE A 8 0.198 3.793 -1.673 1.00 0.00 O ATOM 83 CB ILE A 8 -2.174 4.834 -3.885 1.00 0.00 C ATOM 84 CG1 ILE A 8 -0.897 5.602 -4.230 1.00 0.00 C ATOM 85 CG2 ILE A 8 -3.328 5.772 -3.524 1.00 0.00 C ATOM 86 CD1 ILE A 8 -1.225 6.964 -4.842 1.00 0.00 C ATOM 0 H ILE A 8 -2.204 5.351 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.493 2.934 -3.032 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.471 4.287 -4.780 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.296 5.739 -3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.296 5.020 -4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.488 6.481 -4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.235 5.189 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.084 6.315 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.300 7.489 -5.078 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.805 6.823 -5.754 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.805 7.552 -4.131 1.00 0.00 H new ATOM 98 N VAL A 9 0.019 2.597 -3.623 1.00 0.00 N ATOM 99 CA VAL A 9 1.391 2.119 -3.626 1.00 0.00 C ATOM 100 C VAL A 9 2.199 2.908 -4.657 1.00 0.00 C ATOM 101 O VAL A 9 1.749 3.006 -5.809 1.00 0.00 O ATOM 102 CB VAL A 9 1.418 0.609 -3.873 1.00 0.00 C ATOM 103 CG1 VAL A 9 0.259 0.180 -4.774 1.00 0.00 C ATOM 104 CG2 VAL A 9 2.762 0.175 -4.464 1.00 0.00 C ATOM 0 H VAL A 9 -0.537 2.279 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 9 1.855 2.284 -2.654 1.00 0.00 H new ATOM 0 HB VAL A 9 1.297 0.110 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.302 -0.897 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.687 0.439 -4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.335 0.692 -5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.756 -0.902 -4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.925 0.687 -5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.564 0.430 -3.771 1.00 0.00 H new ATOM 114 N LYS A 10 3.355 3.447 -4.232 1.00 0.00 N ATOM 115 CA LYS A 10 4.214 4.220 -5.113 1.00 0.00 C ATOM 116 C LYS A 10 5.403 3.359 -5.543 1.00 0.00 C ATOM 117 O LYS A 10 5.807 3.454 -6.711 1.00 0.00 O ATOM 118 CB LYS A 10 4.619 5.538 -4.446 1.00 0.00 C ATOM 119 CG LYS A 10 3.474 6.552 -4.499 1.00 0.00 C ATOM 120 CD LYS A 10 4.011 7.978 -4.641 1.00 0.00 C ATOM 121 CE LYS A 10 3.451 8.653 -5.894 1.00 0.00 C ATOM 122 NZ LYS A 10 2.236 9.417 -5.568 1.00 0.00 N ATOM 0 H LYS A 10 3.707 3.355 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 10 3.677 4.499 -6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.899 5.354 -3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.497 5.948 -4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.818 6.321 -5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.873 6.475 -3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.743 8.561 -3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.100 7.957 -4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.201 9.317 -6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.223 7.900 -6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.869 9.869 -6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.516 8.775 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.464 10.148 -4.864 1.00 0.00 H new ATOM 136 N TRP A 11 5.930 2.549 -4.608 1.00 0.00 N ATOM 137 CA TRP A 11 7.061 1.681 -4.889 1.00 0.00 C ATOM 138 C TRP A 11 6.705 0.245 -4.500 1.00 0.00 C ATOM 139 O TRP A 11 6.129 0.054 -3.419 1.00 0.00 O ATOM 140 CB TRP A 11 8.315 2.200 -4.183 1.00 0.00 C ATOM 141 CG TRP A 11 8.436 3.725 -4.169 1.00 0.00 C ATOM 142 CD1 TRP A 11 7.873 4.589 -3.313 1.00 0.00 C ATOM 143 CD2 TRP A 11 9.192 4.537 -5.091 1.00 0.00 C ATOM 144 NE1 TRP A 11 8.210 5.892 -3.614 1.00 0.00 N ATOM 145 CE2 TRP A 11 9.037 5.860 -4.731 1.00 0.00 C ATOM 146 CE3 TRP A 11 9.981 4.166 -6.195 1.00 0.00 C ATOM 147 CZ2 TRP A 11 9.641 6.918 -5.420 1.00 0.00 C ATOM 148 CZ3 TRP A 11 10.577 5.235 -6.873 1.00 0.00 C ATOM 149 CH2 TRP A 11 10.432 6.573 -6.523 1.00 0.00 C ATOM 0 H TRP A 11 5.581 2.486 -3.652 1.00 0.00 H new ATOM 0 HA TRP A 11 7.285 1.683 -5.956 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.318 1.836 -3.155 1.00 0.00 H new ATOM 0 HB3 TRP A 11 9.194 1.781 -4.672 1.00 0.00 H new ATOM 0 HD1 TRP A 11 7.235 4.301 -2.490 1.00 0.00 H new ATOM 0 HE1 TRP A 11 7.908 6.726 -3.110 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.116 3.137 -6.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.504 7.946 -5.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 11.194 5.005 -7.729 1.00 0.00 H new ATOM 0 HH2 TRP A 11 10.926 7.342 -7.098 1.00 0.00 H new ATOM 160 N PHE A 12 7.051 -0.718 -5.372 1.00 0.00 N ATOM 161 CA PHE A 12 6.769 -2.122 -5.118 1.00 0.00 C ATOM 162 C PHE A 12 7.791 -2.984 -5.863 1.00 0.00 C ATOM 163 O PHE A 12 8.287 -2.538 -6.908 1.00 0.00 O ATOM 164 CB PHE A 12 5.337 -2.445 -5.586 1.00 0.00 C ATOM 165 CG PHE A 12 5.245 -3.528 -6.651 1.00 0.00 C ATOM 166 CD1 PHE A 12 5.201 -4.892 -6.282 1.00 0.00 C ATOM 167 CD2 PHE A 12 5.211 -3.175 -8.020 1.00 0.00 C ATOM 168 CE1 PHE A 12 5.121 -5.895 -7.273 1.00 0.00 C ATOM 169 CE2 PHE A 12 5.131 -4.178 -9.010 1.00 0.00 C ATOM 170 CZ PHE A 12 5.086 -5.537 -8.637 1.00 0.00 C ATOM 0 H PHE A 12 7.526 -0.539 -6.257 1.00 0.00 H new ATOM 0 HA PHE A 12 6.844 -2.335 -4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.748 -2.753 -4.722 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.882 -1.534 -5.974 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.229 -5.168 -5.238 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.246 -2.135 -8.309 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.087 -6.936 -6.987 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.104 -3.904 -10.054 1.00 0.00 H new ATOM 0 HZ PHE A 12 5.025 -6.304 -9.395 1.00 0.00 H new ATOM 180 N ASN A 13 8.078 -4.180 -5.321 1.00 0.00 N ATOM 181 CA ASN A 13 9.031 -5.093 -5.930 1.00 0.00 C ATOM 182 C ASN A 13 8.791 -6.506 -5.395 1.00 0.00 C ATOM 183 O ASN A 13 9.433 -6.878 -4.401 1.00 0.00 O ATOM 184 CB ASN A 13 10.469 -4.696 -5.591 1.00 0.00 C ATOM 185 CG ASN A 13 10.624 -3.175 -5.557 1.00 0.00 C ATOM 186 OD1 ASN A 13 11.122 -2.554 -6.481 1.00 0.00 O ATOM 187 ND2 ASN A 13 10.169 -2.610 -4.441 1.00 0.00 N ATOM 0 H ASN A 13 7.657 -4.528 -4.460 1.00 0.00 H new ATOM 0 HA ASN A 13 8.892 -5.054 -7.010 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.747 -5.115 -4.624 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.150 -5.118 -6.330 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.226 -1.599 -4.321 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.763 -3.188 -3.705 1.00 0.00 H new ATOM 194 N ALA A 14 7.886 -7.254 -6.050 1.00 0.00 N ATOM 195 CA ALA A 14 7.567 -8.612 -5.643 1.00 0.00 C ATOM 196 C ALA A 14 8.353 -9.597 -6.509 1.00 0.00 C ATOM 197 O ALA A 14 7.722 -10.420 -7.187 1.00 0.00 O ATOM 198 CB ALA A 14 6.087 -8.894 -5.906 1.00 0.00 C ATOM 0 H ALA A 14 7.367 -6.929 -6.866 1.00 0.00 H new ATOM 0 HA ALA A 14 7.810 -8.722 -4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.851 -9.913 -5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.476 -8.193 -5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.878 -8.777 -6.969 1.00 0.00 H new ATOM 204 N ASP A 15 9.695 -9.498 -6.469 1.00 0.00 N ATOM 205 CA ASP A 15 10.555 -10.375 -7.245 1.00 0.00 C ATOM 206 C ASP A 15 11.998 -10.221 -6.763 1.00 0.00 C ATOM 207 O ASP A 15 12.722 -11.228 -6.738 1.00 0.00 O ATOM 208 CB ASP A 15 10.513 -10.013 -8.731 1.00 0.00 C ATOM 209 CG ASP A 15 11.081 -8.637 -9.079 1.00 0.00 C ATOM 210 OD1 ASP A 15 10.418 -7.605 -8.892 1.00 0.00 O ATOM 211 OD2 ASP A 15 12.274 -8.647 -9.569 1.00 0.00 O ATOM 0 H ASP A 15 10.196 -8.814 -5.902 1.00 0.00 H new ATOM 0 HA ASP A 15 10.202 -11.398 -7.112 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.066 -10.769 -9.289 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.478 -10.059 -9.071 1.00 0.00 H new ATOM 216 N LYS A 16 12.384 -8.987 -6.394 1.00 0.00 N ATOM 217 CA LYS A 16 13.727 -8.709 -5.918 1.00 0.00 C ATOM 218 C LYS A 16 13.754 -8.810 -4.391 1.00 0.00 C ATOM 219 O LYS A 16 14.637 -9.501 -3.862 1.00 0.00 O ATOM 220 CB LYS A 16 14.217 -7.361 -6.453 1.00 0.00 C ATOM 221 CG LYS A 16 13.067 -6.358 -6.549 1.00 0.00 C ATOM 222 CD LYS A 16 13.584 -4.962 -6.903 1.00 0.00 C ATOM 223 CE LYS A 16 14.659 -5.035 -7.990 1.00 0.00 C ATOM 224 NZ LYS A 16 15.994 -5.167 -7.387 1.00 0.00 N ATOM 0 H LYS A 16 11.773 -8.171 -6.421 1.00 0.00 H new ATOM 0 HA LYS A 16 14.427 -9.452 -6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.994 -6.967 -5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.668 -7.498 -7.436 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.354 -6.688 -7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.532 -6.321 -5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.757 -4.340 -7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.994 -4.485 -6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.464 -5.884 -8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.620 -4.139 -8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.639 -4.472 -7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.931 -4.995 -6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.358 -6.127 -7.555 1.00 0.00 H new ATOM 238 N GLY A 17 12.802 -8.131 -3.726 1.00 0.00 N ATOM 239 CA GLY A 17 12.719 -8.146 -2.276 1.00 0.00 C ATOM 240 C GLY A 17 11.259 -7.975 -1.852 1.00 0.00 C ATOM 241 O GLY A 17 10.559 -8.990 -1.724 1.00 0.00 O ATOM 0 H GLY A 17 12.084 -7.568 -4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.115 -9.084 -1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 17 13.328 -7.345 -1.857 1.00 0.00 H new ATOM 245 N PHE A 18 10.836 -6.714 -1.646 1.00 0.00 N ATOM 246 CA PHE A 18 9.472 -6.417 -1.241 1.00 0.00 C ATOM 247 C PHE A 18 9.040 -5.088 -1.863 1.00 0.00 C ATOM 248 O PHE A 18 9.787 -4.555 -2.697 1.00 0.00 O ATOM 249 CB PHE A 18 9.403 -6.348 0.298 1.00 0.00 C ATOM 250 CG PHE A 18 10.697 -5.913 0.972 1.00 0.00 C ATOM 251 CD1 PHE A 18 11.507 -4.917 0.377 1.00 0.00 C ATOM 252 CD2 PHE A 18 11.095 -6.495 2.198 1.00 0.00 C ATOM 253 CE1 PHE A 18 12.704 -4.511 1.004 1.00 0.00 C ATOM 254 CE2 PHE A 18 12.293 -6.087 2.823 1.00 0.00 C ATOM 255 CZ PHE A 18 13.098 -5.095 2.226 1.00 0.00 C ATOM 0 H PHE A 18 11.429 -5.891 -1.757 1.00 0.00 H new ATOM 0 HA PHE A 18 8.797 -7.200 -1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 18 8.610 -5.656 0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.122 -7.329 0.680 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.209 -4.467 -0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.480 -7.254 2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 18 13.320 -3.751 0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 18 12.593 -6.535 3.759 1.00 0.00 H new ATOM 0 HZ PHE A 18 14.015 -4.783 2.704 1.00 0.00 H new ATOM 265 N GLY A 19 7.860 -4.587 -1.454 1.00 0.00 N ATOM 266 CA GLY A 19 7.335 -3.334 -1.968 1.00 0.00 C ATOM 267 C GLY A 19 7.100 -2.368 -0.805 1.00 0.00 C ATOM 268 O GLY A 19 7.055 -2.831 0.345 1.00 0.00 O ATOM 0 H GLY A 19 7.259 -5.042 -0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.035 -2.899 -2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.402 -3.510 -2.504 1.00 0.00 H new ATOM 272 N PHE A 20 6.957 -1.069 -1.119 1.00 0.00 N ATOM 273 CA PHE A 20 6.730 -0.052 -0.106 1.00 0.00 C ATOM 274 C PHE A 20 5.450 0.716 -0.441 1.00 0.00 C ATOM 275 O PHE A 20 5.448 1.454 -1.439 1.00 0.00 O ATOM 276 CB PHE A 20 7.943 0.898 -0.060 1.00 0.00 C ATOM 277 CG PHE A 20 9.282 0.234 -0.352 1.00 0.00 C ATOM 278 CD1 PHE A 20 9.618 -0.997 0.260 1.00 0.00 C ATOM 279 CD2 PHE A 20 10.200 0.849 -1.233 1.00 0.00 C ATOM 280 CE1 PHE A 20 10.861 -1.607 -0.010 1.00 0.00 C ATOM 281 CE2 PHE A 20 11.444 0.239 -1.501 1.00 0.00 C ATOM 282 CZ PHE A 20 11.774 -0.990 -0.891 1.00 0.00 C ATOM 0 H PHE A 20 6.997 -0.709 -2.072 1.00 0.00 H new ATOM 0 HA PHE A 20 6.612 -0.515 0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.786 1.701 -0.780 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.989 1.359 0.927 1.00 0.00 H new ATOM 0 HD1 PHE A 20 8.921 -1.471 0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 20 9.949 1.789 -1.703 1.00 0.00 H new ATOM 0 HE1 PHE A 20 11.114 -2.547 0.458 1.00 0.00 H new ATOM 0 HE2 PHE A 20 12.144 0.713 -2.173 1.00 0.00 H new ATOM 0 HZ PHE A 20 12.725 -1.458 -1.098 1.00 0.00 H new ATOM 292 N ILE A 21 4.404 0.534 0.383 1.00 0.00 N ATOM 293 CA ILE A 21 3.132 1.206 0.176 1.00 0.00 C ATOM 294 C ILE A 21 3.190 2.601 0.803 1.00 0.00 C ATOM 295 O ILE A 21 4.107 2.854 1.597 1.00 0.00 O ATOM 296 CB ILE A 21 1.980 0.344 0.696 1.00 0.00 C ATOM 297 CG1 ILE A 21 1.669 -0.798 -0.274 1.00 0.00 C ATOM 298 CG2 ILE A 21 0.745 1.200 0.989 1.00 0.00 C ATOM 299 CD1 ILE A 21 2.948 -1.322 -0.931 1.00 0.00 C ATOM 0 H ILE A 21 4.426 -0.078 1.199 1.00 0.00 H new ATOM 0 HA ILE A 21 2.941 1.342 -0.888 1.00 0.00 H new ATOM 0 HB ILE A 21 2.289 -0.109 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.172 -1.608 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.978 -0.450 -1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.060 0.564 1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.991 1.947 1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.423 1.699 0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.699 -2.133 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.430 -0.515 -1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.627 -1.691 -0.162 1.00 0.00 H new ATOM 311 N THR A 22 2.223 3.463 0.441 1.00 0.00 N ATOM 312 CA THR A 22 2.164 4.818 0.965 1.00 0.00 C ATOM 313 C THR A 22 0.718 5.155 1.331 1.00 0.00 C ATOM 314 O THR A 22 -0.184 4.812 0.552 1.00 0.00 O ATOM 315 CB THR A 22 2.767 5.769 -0.070 1.00 0.00 C ATOM 316 OG1 THR A 22 4.125 5.911 0.338 1.00 0.00 O ATOM 317 CG2 THR A 22 2.195 7.185 0.032 1.00 0.00 C ATOM 0 H THR A 22 1.475 3.234 -0.214 1.00 0.00 H new ATOM 0 HA THR A 22 2.749 4.921 1.879 1.00 0.00 H new ATOM 0 HB THR A 22 2.587 5.377 -1.071 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.591 6.511 -0.280 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.657 7.819 -0.725 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.117 7.154 -0.128 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.403 7.591 1.022 1.00 0.00 H new ATOM 325 N PRO A 23 0.527 5.810 2.491 1.00 0.00 N ATOM 326 CA PRO A 23 -0.782 6.205 2.983 1.00 0.00 C ATOM 327 C PRO A 23 -1.318 7.409 2.209 1.00 0.00 C ATOM 328 O PRO A 23 -0.838 7.655 1.092 1.00 0.00 O ATOM 329 CB PRO A 23 -0.574 6.492 4.461 1.00 0.00 C ATOM 330 CG PRO A 23 0.921 6.700 4.641 1.00 0.00 C ATOM 331 CD PRO A 23 1.614 6.198 3.385 1.00 0.00 C ATOM 0 HA PRO A 23 -1.537 5.431 2.843 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.131 7.377 4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.929 5.663 5.073 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.143 7.755 4.804 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.279 6.159 5.517 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.236 6.974 2.939 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.267 5.353 3.604 1.00 0.00 H new ATOM 339 N ASP A 24 -2.288 8.125 2.806 1.00 0.00 N ATOM 340 CA ASP A 24 -2.883 9.292 2.175 1.00 0.00 C ATOM 341 C ASP A 24 -1.778 10.148 1.551 1.00 0.00 C ATOM 342 O ASP A 24 -2.061 10.853 0.572 1.00 0.00 O ATOM 343 CB ASP A 24 -3.625 10.152 3.199 1.00 0.00 C ATOM 344 CG ASP A 24 -2.881 10.377 4.517 1.00 0.00 C ATOM 345 OD1 ASP A 24 -2.951 9.400 5.356 1.00 0.00 O ATOM 346 OD2 ASP A 24 -2.265 11.432 4.731 1.00 0.00 O ATOM 0 H ASP A 24 -2.669 7.906 3.726 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.586 8.945 1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.838 11.122 2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.585 9.684 3.417 1.00 0.00 H new ATOM 351 N ASP A 25 -0.562 10.070 2.120 1.00 0.00 N ATOM 352 CA ASP A 25 0.570 10.832 1.624 1.00 0.00 C ATOM 353 C ASP A 25 1.090 11.749 2.733 1.00 0.00 C ATOM 354 O ASP A 25 2.061 12.480 2.489 1.00 0.00 O ATOM 355 CB ASP A 25 0.167 11.708 0.436 1.00 0.00 C ATOM 356 CG ASP A 25 1.294 12.561 -0.151 1.00 0.00 C ATOM 357 OD1 ASP A 25 2.136 12.068 -0.916 1.00 0.00 O ATOM 358 OD2 ASP A 25 1.287 13.798 0.214 1.00 0.00 O ATOM 0 H ASP A 25 -0.350 9.482 2.926 1.00 0.00 H new ATOM 0 HA ASP A 25 1.338 10.126 1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.230 11.067 -0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.642 12.368 0.748 1.00 0.00 H new ATOM 363 N GLY A 26 0.445 11.692 3.913 1.00 0.00 N ATOM 364 CA GLY A 26 0.840 12.511 5.046 1.00 0.00 C ATOM 365 C GLY A 26 0.937 11.632 6.294 1.00 0.00 C ATOM 366 O GLY A 26 0.408 12.034 7.341 1.00 0.00 O ATOM 0 H GLY A 26 -0.352 11.082 4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.800 12.988 4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.114 13.308 5.204 1.00 0.00 H new ATOM 370 N SER A 27 1.601 10.471 6.163 1.00 0.00 N ATOM 371 CA SER A 27 1.765 9.547 7.273 1.00 0.00 C ATOM 372 C SER A 27 3.156 8.914 7.203 1.00 0.00 C ATOM 373 O SER A 27 4.051 9.379 7.923 1.00 0.00 O ATOM 374 CB SER A 27 0.687 8.460 7.261 1.00 0.00 C ATOM 375 OG SER A 27 -0.158 8.535 8.406 1.00 0.00 O ATOM 0 H SER A 27 2.030 10.159 5.292 1.00 0.00 H new ATOM 0 HA SER A 27 1.660 10.103 8.204 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.084 8.557 6.358 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.161 7.479 7.224 1.00 0.00 H new ATOM 0 HG SER A 27 -0.834 7.827 8.361 1.00 0.00 H new ATOM 381 N LYS A 28 3.308 7.884 6.353 1.00 0.00 N ATOM 382 CA LYS A 28 4.579 7.196 6.193 1.00 0.00 C ATOM 383 C LYS A 28 4.369 5.932 5.359 1.00 0.00 C ATOM 384 O LYS A 28 3.358 5.246 5.571 1.00 0.00 O ATOM 385 CB LYS A 28 5.221 6.934 7.558 1.00 0.00 C ATOM 386 CG LYS A 28 6.416 7.861 7.789 1.00 0.00 C ATOM 387 CD LYS A 28 7.601 7.091 8.375 1.00 0.00 C ATOM 388 CE LYS A 28 8.491 8.011 9.213 1.00 0.00 C ATOM 389 NZ LYS A 28 9.906 7.632 9.065 1.00 0.00 N ATOM 0 H LYS A 28 2.557 7.516 5.769 1.00 0.00 H new ATOM 0 HA LYS A 28 5.286 7.822 5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.483 7.083 8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.545 5.895 7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.709 8.325 6.847 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.131 8.667 8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.237 6.270 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.186 6.648 7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.351 9.046 8.901 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.200 7.952 10.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.497 8.266 9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.038 6.651 9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.184 7.711 8.066 1.00 0.00 H new ATOM 403 N ASP A 29 5.312 5.652 4.442 1.00 0.00 N ATOM 404 CA ASP A 29 5.230 4.481 3.586 1.00 0.00 C ATOM 405 C ASP A 29 5.453 3.222 4.428 1.00 0.00 C ATOM 406 O ASP A 29 6.383 3.220 5.249 1.00 0.00 O ATOM 407 CB ASP A 29 6.305 4.518 2.497 1.00 0.00 C ATOM 408 CG ASP A 29 7.737 4.678 3.009 1.00 0.00 C ATOM 409 OD1 ASP A 29 8.335 3.730 3.540 1.00 0.00 O ATOM 410 OD2 ASP A 29 8.249 5.851 2.841 1.00 0.00 O ATOM 0 H ASP A 29 6.138 6.230 4.283 1.00 0.00 H new ATOM 0 HA ASP A 29 4.245 4.472 3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.244 3.598 1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.084 5.341 1.817 1.00 0.00 H new ATOM 415 N VAL A 30 4.613 2.196 4.211 1.00 0.00 N ATOM 416 CA VAL A 30 4.719 0.946 4.944 1.00 0.00 C ATOM 417 C VAL A 30 5.303 -0.130 4.027 1.00 0.00 C ATOM 418 O VAL A 30 4.774 -0.314 2.921 1.00 0.00 O ATOM 419 CB VAL A 30 3.355 0.562 5.524 1.00 0.00 C ATOM 420 CG1 VAL A 30 3.087 1.306 6.833 1.00 0.00 C ATOM 421 CG2 VAL A 30 2.237 0.816 4.509 1.00 0.00 C ATOM 0 H VAL A 30 3.854 2.219 3.529 1.00 0.00 H new ATOM 0 HA VAL A 30 5.398 1.056 5.790 1.00 0.00 H new ATOM 0 HB VAL A 30 3.372 -0.506 5.744 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.112 1.015 7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.859 1.053 7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.099 2.380 6.650 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.279 0.535 4.946 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.219 1.873 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.416 0.221 3.614 1.00 0.00 H new ATOM 431 N PHE A 31 6.364 -0.810 4.497 1.00 0.00 N ATOM 432 CA PHE A 31 7.011 -1.857 3.724 1.00 0.00 C ATOM 433 C PHE A 31 6.322 -3.194 4.007 1.00 0.00 C ATOM 434 O PHE A 31 5.902 -3.408 5.153 1.00 0.00 O ATOM 435 CB PHE A 31 8.504 -1.920 4.105 1.00 0.00 C ATOM 436 CG PHE A 31 9.151 -0.564 4.359 1.00 0.00 C ATOM 437 CD1 PHE A 31 8.840 0.160 5.533 1.00 0.00 C ATOM 438 CD2 PHE A 31 10.073 -0.027 3.430 1.00 0.00 C ATOM 439 CE1 PHE A 31 9.442 1.413 5.773 1.00 0.00 C ATOM 440 CE2 PHE A 31 10.674 1.225 3.670 1.00 0.00 C ATOM 441 CZ PHE A 31 10.359 1.946 4.842 1.00 0.00 C ATOM 0 H PHE A 31 6.784 -0.644 5.412 1.00 0.00 H new ATOM 0 HA PHE A 31 6.931 -1.642 2.658 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.612 -2.533 5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.048 -2.424 3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.140 -0.247 6.248 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.317 -0.578 2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.201 1.965 6.670 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.376 1.633 2.957 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.820 2.905 5.026 1.00 0.00 H new ATOM 451 N VAL A 32 6.221 -4.049 2.974 1.00 0.00 N ATOM 452 CA VAL A 32 5.589 -5.350 3.111 1.00 0.00 C ATOM 453 C VAL A 32 6.050 -6.258 1.969 1.00 0.00 C ATOM 454 O VAL A 32 6.362 -5.735 0.889 1.00 0.00 O ATOM 455 CB VAL A 32 4.070 -5.189 3.172 1.00 0.00 C ATOM 456 CG1 VAL A 32 3.590 -4.124 2.183 1.00 0.00 C ATOM 457 CG2 VAL A 32 3.365 -6.525 2.922 1.00 0.00 C ATOM 0 H VAL A 32 6.573 -3.851 2.038 1.00 0.00 H new ATOM 0 HA VAL A 32 5.889 -5.825 4.045 1.00 0.00 H new ATOM 0 HB VAL A 32 3.810 -4.855 4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.506 -4.030 2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.052 -3.167 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.870 -4.415 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.286 -6.382 2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.637 -6.901 1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.670 -7.245 3.681 1.00 0.00 H new ATOM 467 N HIS A 33 6.080 -7.578 2.225 1.00 0.00 N ATOM 468 CA HIS A 33 6.498 -8.546 1.225 1.00 0.00 C ATOM 469 C HIS A 33 5.341 -8.807 0.259 1.00 0.00 C ATOM 470 O HIS A 33 4.345 -9.412 0.682 1.00 0.00 O ATOM 471 CB HIS A 33 7.019 -9.825 1.885 1.00 0.00 C ATOM 472 CG HIS A 33 7.948 -10.632 1.011 1.00 0.00 C ATOM 473 ND1 HIS A 33 8.566 -11.828 1.233 1.00 0.00 N flip ATOM 474 CD2 HIS A 33 8.332 -10.223 -0.255 1.00 0.00 C flip ATOM 475 CE1 HIS A 33 9.286 -12.134 0.160 1.00 0.00 C flip ATOM 476 NE2 HIS A 33 9.143 -11.139 -0.763 1.00 0.00 N flip ATOM 0 H HIS A 33 5.817 -7.988 3.121 1.00 0.00 H new ATOM 0 HA HIS A 33 7.331 -8.144 0.648 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.540 -9.561 2.805 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.170 -10.448 2.168 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.023 -9.312 -0.745 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.886 -13.024 0.038 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.583 -11.106 -1.683 1.00 0.00 H new ATOM 484 N PHE A 34 5.492 -8.355 -0.999 1.00 0.00 N ATOM 485 CA PHE A 34 4.467 -8.538 -2.012 1.00 0.00 C ATOM 486 C PHE A 34 3.302 -7.588 -1.730 1.00 0.00 C ATOM 487 O PHE A 34 2.569 -7.257 -2.675 1.00 0.00 O ATOM 488 CB PHE A 34 3.993 -10.005 -1.994 1.00 0.00 C ATOM 489 CG PHE A 34 5.112 -11.033 -1.907 1.00 0.00 C ATOM 490 CD1 PHE A 34 6.200 -10.983 -2.808 1.00 0.00 C ATOM 491 CD2 PHE A 34 5.065 -12.051 -0.926 1.00 0.00 C ATOM 492 CE1 PHE A 34 7.234 -11.940 -2.728 1.00 0.00 C ATOM 493 CE2 PHE A 34 6.099 -13.008 -0.846 1.00 0.00 C ATOM 494 CZ PHE A 34 7.184 -12.953 -1.746 1.00 0.00 C ATOM 0 H PHE A 34 6.321 -7.860 -1.327 1.00 0.00 H new ATOM 0 HA PHE A 34 4.869 -8.312 -3.000 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.322 -10.146 -1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.412 -10.196 -2.896 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.240 -10.209 -3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.235 -12.096 -0.236 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.064 -11.897 -3.418 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.060 -13.783 -0.095 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.976 -13.685 -1.684 1.00 0.00 H new ATOM 504 N SER A 35 3.155 -7.174 -0.458 1.00 0.00 N ATOM 505 CA SER A 35 2.089 -6.270 -0.060 1.00 0.00 C ATOM 506 C SER A 35 0.827 -7.080 0.244 1.00 0.00 C ATOM 507 O SER A 35 -0.276 -6.553 0.037 1.00 0.00 O ATOM 508 CB SER A 35 1.804 -5.230 -1.145 1.00 0.00 C ATOM 509 OG SER A 35 1.557 -3.938 -0.594 1.00 0.00 O ATOM 0 H SER A 35 3.769 -7.459 0.305 1.00 0.00 H new ATOM 0 HA SER A 35 2.405 -5.733 0.834 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.652 -5.177 -1.828 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.941 -5.545 -1.732 1.00 0.00 H new ATOM 0 HG SER A 35 0.767 -3.975 -0.015 1.00 0.00 H new ATOM 515 N ALA A 36 1.009 -8.325 0.721 1.00 0.00 N ATOM 516 CA ALA A 36 -0.106 -9.195 1.048 1.00 0.00 C ATOM 517 C ALA A 36 -1.227 -8.986 0.030 1.00 0.00 C ATOM 518 O ALA A 36 -2.359 -8.699 0.445 1.00 0.00 O ATOM 519 CB ALA A 36 -0.685 -8.798 2.409 1.00 0.00 C ATOM 0 H ALA A 36 1.926 -8.741 0.885 1.00 0.00 H new ATOM 0 HA ALA A 36 0.249 -10.225 1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.522 -9.452 2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.085 -8.894 3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.031 -7.765 2.370 1.00 0.00 H new ATOM 525 N ILE A 37 -0.897 -9.133 -1.267 1.00 0.00 N ATOM 526 CA ILE A 37 -1.869 -8.962 -2.333 1.00 0.00 C ATOM 527 C ILE A 37 -2.835 -10.148 -2.332 1.00 0.00 C ATOM 528 O ILE A 37 -2.888 -10.869 -3.339 1.00 0.00 O ATOM 529 CB ILE A 37 -1.162 -8.746 -3.673 1.00 0.00 C ATOM 530 CG1 ILE A 37 -0.262 -9.935 -4.015 1.00 0.00 C ATOM 531 CG2 ILE A 37 -0.394 -7.424 -3.681 1.00 0.00 C ATOM 532 CD1 ILE A 37 0.984 -9.477 -4.778 1.00 0.00 C ATOM 0 H ILE A 37 0.041 -9.370 -1.590 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.465 -8.065 -2.165 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.920 -8.681 -4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.035 -10.446 -3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.817 -10.655 -4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.099 -7.295 -4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.087 -6.599 -3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.355 -7.433 -2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.607 -10.341 -5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.684 -8.988 -5.705 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.549 -8.776 -4.164 1.00 0.00 H new ATOM 544 N GLN A 38 -3.569 -10.324 -1.218 1.00 0.00 N ATOM 545 CA GLN A 38 -4.523 -11.414 -1.091 1.00 0.00 C ATOM 546 C GLN A 38 -5.310 -11.552 -2.394 1.00 0.00 C ATOM 547 O GLN A 38 -6.298 -10.820 -2.568 1.00 0.00 O ATOM 548 CB GLN A 38 -5.464 -11.200 0.099 1.00 0.00 C ATOM 549 CG GLN A 38 -4.747 -11.480 1.421 1.00 0.00 C ATOM 550 CD GLN A 38 -4.716 -10.231 2.303 1.00 0.00 C ATOM 551 OE1 GLN A 38 -4.925 -10.282 3.504 1.00 0.00 O ATOM 552 NE2 GLN A 38 -4.446 -9.108 1.642 1.00 0.00 N ATOM 0 H GLN A 38 -3.511 -9.719 -0.399 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.976 -12.338 -0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.837 -10.176 0.093 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.330 -11.855 0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.252 -12.289 1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.729 -11.815 1.223 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.281 -9.136 0.636 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.404 -8.220 2.142 1.00 0.00 H new ATOM 561 N ASN A 39 -4.869 -12.472 -3.271 1.00 0.00 N ATOM 562 CA ASN A 39 -5.529 -12.700 -4.546 1.00 0.00 C ATOM 563 C ASN A 39 -5.021 -14.011 -5.149 1.00 0.00 C ATOM 564 O ASN A 39 -4.271 -14.723 -4.466 1.00 0.00 O ATOM 565 CB ASN A 39 -5.222 -11.574 -5.534 1.00 0.00 C ATOM 566 CG ASN A 39 -6.388 -11.361 -6.502 1.00 0.00 C ATOM 567 OD1 ASN A 39 -6.457 -11.948 -7.569 1.00 0.00 O ATOM 568 ND2 ASN A 39 -7.296 -10.490 -6.071 1.00 0.00 N ATOM 0 H ASN A 39 -4.055 -13.065 -3.109 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.604 -12.739 -4.368 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.024 -10.651 -4.989 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.318 -11.813 -6.095 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.112 -10.278 -6.645 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.176 -10.034 -5.167 1.00 0.00 H new ATOM 575 N ASP A 40 -5.434 -14.299 -6.396 1.00 0.00 N ATOM 576 CA ASP A 40 -5.024 -15.512 -7.083 1.00 0.00 C ATOM 577 C ASP A 40 -3.502 -15.513 -7.242 1.00 0.00 C ATOM 578 O ASP A 40 -2.804 -15.753 -6.245 1.00 0.00 O ATOM 579 CB ASP A 40 -5.644 -15.593 -8.478 1.00 0.00 C ATOM 580 CG ASP A 40 -7.142 -15.905 -8.503 1.00 0.00 C ATOM 581 OD1 ASP A 40 -7.871 -15.144 -7.758 1.00 0.00 O ATOM 582 OD2 ASP A 40 -7.591 -16.828 -9.198 1.00 0.00 O ATOM 0 H ASP A 40 -6.053 -13.699 -6.940 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.358 -16.363 -6.490 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.477 -14.645 -8.989 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.119 -16.359 -9.049 1.00 0.00 H new ATOM 587 N GLY A 41 -3.025 -15.249 -8.472 1.00 0.00 N ATOM 588 CA GLY A 41 -1.600 -15.220 -8.756 1.00 0.00 C ATOM 589 C GLY A 41 -0.970 -14.013 -8.058 1.00 0.00 C ATOM 590 O GLY A 41 -0.613 -13.050 -8.752 1.00 0.00 O ATOM 0 H GLY A 41 -3.617 -15.054 -9.279 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.130 -16.141 -8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.433 -15.161 -9.831 1.00 0.00 H new ATOM 594 N TYR A 42 -0.848 -14.087 -6.720 1.00 0.00 N ATOM 595 CA TYR A 42 -0.262 -12.970 -5.998 1.00 0.00 C ATOM 596 C TYR A 42 -0.588 -11.666 -6.730 1.00 0.00 C ATOM 597 O TYR A 42 0.339 -10.871 -6.943 1.00 0.00 O ATOM 598 CB TYR A 42 1.257 -13.178 -5.844 1.00 0.00 C ATOM 599 CG TYR A 42 1.916 -13.899 -7.011 1.00 0.00 C ATOM 600 CD1 TYR A 42 2.365 -13.173 -8.139 1.00 0.00 C ATOM 601 CD2 TYR A 42 2.077 -15.303 -6.975 1.00 0.00 C ATOM 602 CE1 TYR A 42 2.973 -13.847 -9.221 1.00 0.00 C ATOM 603 CE2 TYR A 42 2.686 -15.976 -8.056 1.00 0.00 C ATOM 604 CZ TYR A 42 3.135 -15.249 -9.179 1.00 0.00 C ATOM 605 OH TYR A 42 3.723 -15.905 -10.223 1.00 0.00 O ATOM 0 H TYR A 42 -1.137 -14.879 -6.146 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.685 -12.911 -4.995 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.733 -12.206 -5.718 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.443 -13.744 -4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.243 -12.101 -8.173 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.733 -15.862 -6.118 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.314 -13.290 -10.081 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.808 -17.049 -8.024 1.00 0.00 H new ATOM 0 HH TYR A 42 3.756 -16.865 -10.029 1.00 0.00 H new ATOM 615 N LYS A 43 -1.867 -11.478 -7.101 1.00 0.00 N ATOM 616 CA LYS A 43 -2.296 -10.284 -7.810 1.00 0.00 C ATOM 617 C LYS A 43 -1.098 -9.674 -8.542 1.00 0.00 C ATOM 618 O LYS A 43 -0.327 -10.434 -9.147 1.00 0.00 O ATOM 619 CB LYS A 43 -2.992 -9.315 -6.856 1.00 0.00 C ATOM 620 CG LYS A 43 -3.987 -8.426 -7.605 1.00 0.00 C ATOM 621 CD LYS A 43 -4.971 -9.270 -8.418 1.00 0.00 C ATOM 622 CE LYS A 43 -4.641 -9.209 -9.911 1.00 0.00 C ATOM 623 NZ LYS A 43 -5.611 -8.360 -10.619 1.00 0.00 N ATOM 0 H LYS A 43 -2.615 -12.146 -6.916 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.039 -10.536 -8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.513 -9.875 -6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.248 -8.694 -6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.534 -7.807 -6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.448 -7.749 -8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.937 -10.305 -8.076 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.987 -8.912 -8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.634 -8.816 -10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.652 -10.214 -10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.372 -8.330 -11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.567 -8.752 -10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.581 -7.397 -10.227 1.00 0.00 H new ATOM 637 N SER A 44 -0.967 -8.338 -8.473 1.00 0.00 N ATOM 638 CA SER A 44 0.125 -7.635 -9.122 1.00 0.00 C ATOM 639 C SER A 44 0.121 -6.172 -8.680 1.00 0.00 C ATOM 640 O SER A 44 -0.895 -5.725 -8.127 1.00 0.00 O ATOM 641 CB SER A 44 0.023 -7.729 -10.647 1.00 0.00 C ATOM 642 OG SER A 44 0.920 -8.695 -11.183 1.00 0.00 O ATOM 0 H SER A 44 -1.613 -7.731 -7.969 1.00 0.00 H new ATOM 0 HA SER A 44 1.063 -8.105 -8.826 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.998 -7.988 -10.927 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.236 -6.754 -11.085 1.00 0.00 H new ATOM 0 HG SER A 44 0.786 -9.553 -10.729 1.00 0.00 H new ATOM 648 N LEU A 45 1.239 -5.464 -8.924 1.00 0.00 N ATOM 649 CA LEU A 45 1.362 -4.065 -8.552 1.00 0.00 C ATOM 650 C LEU A 45 1.980 -3.286 -9.715 1.00 0.00 C ATOM 651 O LEU A 45 2.864 -3.832 -10.388 1.00 0.00 O ATOM 652 CB LEU A 45 2.135 -3.926 -7.239 1.00 0.00 C ATOM 653 CG LEU A 45 1.440 -4.471 -5.990 1.00 0.00 C ATOM 654 CD1 LEU A 45 2.325 -4.305 -4.754 1.00 0.00 C ATOM 655 CD2 LEU A 45 0.065 -3.825 -5.802 1.00 0.00 C ATOM 0 H LEU A 45 2.066 -5.850 -9.379 1.00 0.00 H new ATOM 0 HA LEU A 45 0.379 -3.632 -8.364 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.093 -4.435 -7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.352 -2.870 -7.078 1.00 0.00 H new ATOM 0 HG LEU A 45 1.277 -5.540 -6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.807 -4.700 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.259 -4.848 -4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.541 -3.248 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.408 -4.230 -4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.181 -2.747 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.559 -4.038 -6.670 1.00 0.00 H new ATOM 667 N ASP A 46 1.508 -2.043 -9.925 1.00 0.00 N ATOM 668 CA ASP A 46 2.011 -1.199 -10.995 1.00 0.00 C ATOM 669 C ASP A 46 2.674 0.041 -10.394 1.00 0.00 C ATOM 670 O ASP A 46 2.689 1.085 -11.062 1.00 0.00 O ATOM 671 CB ASP A 46 0.874 -0.732 -11.907 1.00 0.00 C ATOM 672 CG ASP A 46 -0.229 0.063 -11.210 1.00 0.00 C ATOM 673 OD1 ASP A 46 0.033 0.838 -10.277 1.00 0.00 O ATOM 674 OD2 ASP A 46 -1.419 -0.137 -11.667 1.00 0.00 O ATOM 0 H ASP A 46 0.777 -1.611 -9.360 1.00 0.00 H new ATOM 0 HA ASP A 46 2.725 -1.782 -11.577 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.296 -0.118 -12.703 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.427 -1.606 -12.381 1.00 0.00 H new ATOM 679 N GLU A 47 3.198 -0.094 -9.162 1.00 0.00 N ATOM 680 CA GLU A 47 3.855 1.009 -8.480 1.00 0.00 C ATOM 681 C GLU A 47 3.043 2.288 -8.687 1.00 0.00 C ATOM 682 O GLU A 47 3.621 3.287 -9.139 1.00 0.00 O ATOM 683 CB GLU A 47 5.296 1.189 -8.963 1.00 0.00 C ATOM 684 CG GLU A 47 5.351 1.335 -10.484 1.00 0.00 C ATOM 685 CD GLU A 47 6.775 1.633 -10.956 1.00 0.00 C ATOM 686 OE1 GLU A 47 7.739 1.077 -10.409 1.00 0.00 O ATOM 687 OE2 GLU A 47 6.862 2.475 -11.930 1.00 0.00 O ATOM 0 H GLU A 47 3.173 -0.962 -8.627 1.00 0.00 H new ATOM 0 HA GLU A 47 3.903 0.783 -7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.733 2.070 -8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.896 0.333 -8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.993 0.419 -10.954 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.684 2.137 -10.800 1.00 0.00 H new ATOM 694 N GLY A 48 1.739 2.234 -8.360 1.00 0.00 N ATOM 695 CA GLY A 48 0.859 3.380 -8.509 1.00 0.00 C ATOM 696 C GLY A 48 -0.592 2.898 -8.580 1.00 0.00 C ATOM 697 O GLY A 48 -1.187 2.980 -9.663 1.00 0.00 O ATOM 0 H GLY A 48 1.282 1.400 -7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.987 4.063 -7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.115 3.934 -9.412 1.00 0.00 H new ATOM 701 N GLN A 49 -1.121 2.412 -7.442 1.00 0.00 N ATOM 702 CA GLN A 49 -2.487 1.923 -7.376 1.00 0.00 C ATOM 703 C GLN A 49 -3.033 2.138 -5.963 1.00 0.00 C ATOM 704 O GLN A 49 -2.260 1.999 -5.005 1.00 0.00 O ATOM 705 CB GLN A 49 -2.577 0.451 -7.781 1.00 0.00 C ATOM 706 CG GLN A 49 -1.656 -0.413 -6.916 1.00 0.00 C ATOM 707 CD GLN A 49 -1.973 -1.899 -7.094 1.00 0.00 C ATOM 708 OE1 GLN A 49 -2.733 -2.408 -6.128 1.00 0.00 O flip ATOM 709 NE2 GLN A 49 -1.554 -2.541 -8.043 1.00 0.00 N flip ATOM 0 H GLN A 49 -0.612 2.353 -6.560 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.094 2.485 -8.086 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.606 0.105 -7.681 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.304 0.342 -8.831 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.617 -0.224 -7.184 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.770 -0.136 -5.868 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.975 -2.088 -8.750 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.783 -3.531 -8.130 1.00 0.00 H new ATOM 718 N LYS A 50 -4.334 2.468 -5.864 1.00 0.00 N ATOM 719 CA LYS A 50 -4.974 2.699 -4.580 1.00 0.00 C ATOM 720 C LYS A 50 -5.295 1.354 -3.925 1.00 0.00 C ATOM 721 O LYS A 50 -5.834 0.476 -4.615 1.00 0.00 O ATOM 722 CB LYS A 50 -6.193 3.609 -4.746 1.00 0.00 C ATOM 723 CG LYS A 50 -6.576 4.258 -3.414 1.00 0.00 C ATOM 724 CD LYS A 50 -6.809 5.762 -3.586 1.00 0.00 C ATOM 725 CE LYS A 50 -8.135 6.186 -2.952 1.00 0.00 C ATOM 726 NZ LYS A 50 -8.260 5.629 -1.595 1.00 0.00 N ATOM 0 H LYS A 50 -4.954 2.578 -6.667 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.299 3.228 -3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.977 4.382 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.034 3.031 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.478 3.789 -3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.786 4.090 -2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.989 6.316 -3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.811 6.015 -4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.194 7.274 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.966 5.844 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.775 6.301 -0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.781 4.730 -1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.313 5.463 -1.199 1.00 0.00 H new ATOM 740 N VAL A 51 -4.963 1.221 -2.629 1.00 0.00 N ATOM 741 CA VAL A 51 -5.213 -0.006 -1.892 1.00 0.00 C ATOM 742 C VAL A 51 -5.424 0.327 -0.413 1.00 0.00 C ATOM 743 O VAL A 51 -5.446 1.519 -0.075 1.00 0.00 O ATOM 744 CB VAL A 51 -4.073 -0.998 -2.124 1.00 0.00 C ATOM 745 CG1 VAL A 51 -3.601 -0.959 -3.579 1.00 0.00 C ATOM 746 CG2 VAL A 51 -2.912 -0.736 -1.163 1.00 0.00 C ATOM 0 H VAL A 51 -4.520 1.957 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.123 -0.488 -2.250 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.454 -1.999 -1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.790 -1.674 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.430 -1.219 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.247 0.043 -3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.115 -1.456 -1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.532 0.274 -1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.260 -0.839 -0.135 1.00 0.00 H new ATOM 756 N SER A 52 -5.574 -0.716 0.424 1.00 0.00 N ATOM 757 CA SER A 52 -5.780 -0.534 1.850 1.00 0.00 C ATOM 758 C SER A 52 -4.812 -1.436 2.619 1.00 0.00 C ATOM 759 O SER A 52 -4.118 -2.238 1.978 1.00 0.00 O ATOM 760 CB SER A 52 -7.224 -0.843 2.251 1.00 0.00 C ATOM 761 OG SER A 52 -7.937 0.333 2.623 1.00 0.00 O ATOM 0 H SER A 52 -5.554 -1.691 0.125 1.00 0.00 H new ATOM 0 HA SER A 52 -5.587 0.510 2.098 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.735 -1.329 1.420 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.227 -1.547 3.083 1.00 0.00 H new ATOM 0 HG SER A 52 -7.551 0.704 3.444 1.00 0.00 H new ATOM 767 N PHE A 53 -4.785 -1.289 3.956 1.00 0.00 N ATOM 768 CA PHE A 53 -3.911 -2.084 4.801 1.00 0.00 C ATOM 769 C PHE A 53 -4.534 -2.215 6.192 1.00 0.00 C ATOM 770 O PHE A 53 -5.579 -1.595 6.431 1.00 0.00 O ATOM 771 CB PHE A 53 -2.529 -1.406 4.881 1.00 0.00 C ATOM 772 CG PHE A 53 -2.519 0.065 4.485 1.00 0.00 C ATOM 773 CD1 PHE A 53 -2.563 0.437 3.121 1.00 0.00 C ATOM 774 CD2 PHE A 53 -2.458 1.066 5.482 1.00 0.00 C ATOM 775 CE1 PHE A 53 -2.549 1.801 2.758 1.00 0.00 C ATOM 776 CE2 PHE A 53 -2.445 2.429 5.118 1.00 0.00 C ATOM 777 CZ PHE A 53 -2.491 2.798 3.755 1.00 0.00 C ATOM 0 H PHE A 53 -5.365 -0.622 4.464 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.787 -3.082 4.381 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.153 -1.497 5.900 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.836 -1.947 4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.607 -0.324 2.356 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.421 0.786 6.525 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.583 2.082 1.716 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.400 3.191 5.882 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.482 3.841 3.477 1.00 0.00 H new ATOM 787 N THR A 54 -3.888 -3.005 7.069 1.00 0.00 N ATOM 788 CA THR A 54 -4.377 -3.212 8.421 1.00 0.00 C ATOM 789 C THR A 54 -3.301 -2.775 9.419 1.00 0.00 C ATOM 790 O THR A 54 -3.257 -3.337 10.523 1.00 0.00 O ATOM 791 CB THR A 54 -4.784 -4.679 8.575 1.00 0.00 C ATOM 792 OG1 THR A 54 -5.057 -4.821 9.967 1.00 0.00 O ATOM 793 CG2 THR A 54 -3.620 -5.641 8.323 1.00 0.00 C ATOM 0 H THR A 54 -3.026 -3.506 6.854 1.00 0.00 H new ATOM 0 HA THR A 54 -5.260 -2.606 8.625 1.00 0.00 H new ATOM 0 HB THR A 54 -5.596 -4.903 7.883 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.216 -4.796 10.469 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.964 -6.668 8.445 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.246 -5.502 7.309 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.820 -5.439 9.035 1.00 0.00 H new ATOM 801 N ILE A 55 -2.472 -1.796 9.018 1.00 0.00 N ATOM 802 CA ILE A 55 -1.409 -1.288 9.871 1.00 0.00 C ATOM 803 C ILE A 55 -0.441 -2.425 10.201 1.00 0.00 C ATOM 804 O ILE A 55 -0.833 -3.594 10.065 1.00 0.00 O ATOM 805 CB ILE A 55 -1.995 -0.602 11.105 1.00 0.00 C ATOM 806 CG1 ILE A 55 -2.722 0.687 10.723 1.00 0.00 C ATOM 807 CG2 ILE A 55 -0.916 -0.359 12.163 1.00 0.00 C ATOM 808 CD1 ILE A 55 -4.054 0.810 11.468 1.00 0.00 C ATOM 0 H ILE A 55 -2.526 -1.346 8.104 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.836 -0.521 9.351 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.734 -1.270 11.547 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.092 1.546 10.954 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.900 0.703 9.648 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.360 0.130 13.030 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.483 -1.312 12.466 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.136 0.278 11.747 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.550 1.736 11.177 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.692 -0.037 11.216 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.870 0.819 12.542 1.00 0.00 H new ATOM 820 N GLU A 56 0.787 -2.069 10.621 1.00 0.00 N ATOM 821 CA GLU A 56 1.799 -3.051 10.965 1.00 0.00 C ATOM 822 C GLU A 56 3.069 -2.331 11.422 1.00 0.00 C ATOM 823 O GLU A 56 3.128 -1.099 11.292 1.00 0.00 O ATOM 824 CB GLU A 56 2.093 -3.991 9.795 1.00 0.00 C ATOM 825 CG GLU A 56 1.539 -5.391 10.063 1.00 0.00 C ATOM 826 CD GLU A 56 2.671 -6.388 10.323 1.00 0.00 C ATOM 827 OE1 GLU A 56 3.709 -6.013 10.888 1.00 0.00 O ATOM 828 OE2 GLU A 56 2.442 -7.590 9.917 1.00 0.00 O ATOM 0 H GLU A 56 1.091 -1.101 10.726 1.00 0.00 H new ATOM 0 HA GLU A 56 1.422 -3.668 11.780 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.652 -3.590 8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.169 -4.047 9.631 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.870 -5.363 10.923 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.947 -5.722 9.209 1.00 0.00 H new ATOM 835 N SER A 57 4.045 -3.098 11.939 1.00 0.00 N ATOM 836 CA SER A 57 5.300 -2.537 12.409 1.00 0.00 C ATOM 837 C SER A 57 6.403 -3.589 12.282 1.00 0.00 C ATOM 838 O SER A 57 6.173 -4.736 12.689 1.00 0.00 O ATOM 839 CB SER A 57 5.190 -2.054 13.857 1.00 0.00 C ATOM 840 OG SER A 57 6.434 -2.148 14.547 1.00 0.00 O ATOM 0 H SER A 57 3.977 -4.111 12.037 1.00 0.00 H new ATOM 0 HA SER A 57 5.545 -1.672 11.793 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.846 -1.020 13.869 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.439 -2.646 14.381 1.00 0.00 H new ATOM 0 HG SER A 57 6.323 -1.829 15.467 1.00 0.00 H new ATOM 846 N GLY A 58 7.562 -3.183 11.731 1.00 0.00 N ATOM 847 CA GLY A 58 8.688 -4.085 11.555 1.00 0.00 C ATOM 848 C GLY A 58 9.807 -3.690 12.519 1.00 0.00 C ATOM 849 O GLY A 58 9.617 -3.840 13.735 1.00 0.00 O ATOM 0 H GLY A 58 7.732 -2.232 11.403 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.378 -5.113 11.741 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.046 -4.042 10.526 1.00 0.00 H new ATOM 853 N ALA A 59 10.932 -3.201 11.969 1.00 0.00 N ATOM 854 CA ALA A 59 12.069 -2.791 12.775 1.00 0.00 C ATOM 855 C ALA A 59 12.322 -1.295 12.569 1.00 0.00 C ATOM 856 O ALA A 59 11.988 -0.511 13.468 1.00 0.00 O ATOM 857 CB ALA A 59 13.331 -3.510 12.293 1.00 0.00 C ATOM 0 H ALA A 59 11.067 -3.084 10.965 1.00 0.00 H new ATOM 0 HA ALA A 59 11.854 -3.025 13.818 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.181 -3.199 12.900 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.194 -4.587 12.385 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.518 -3.256 11.250 1.00 0.00 H new ATOM 863 N LYS A 60 12.899 -0.938 11.407 1.00 0.00 N ATOM 864 CA LYS A 60 13.192 0.449 11.088 1.00 0.00 C ATOM 865 C LYS A 60 12.086 1.006 10.190 1.00 0.00 C ATOM 866 O LYS A 60 12.323 1.144 8.981 1.00 0.00 O ATOM 867 CB LYS A 60 14.594 0.576 10.488 1.00 0.00 C ATOM 868 CG LYS A 60 14.752 1.900 9.739 1.00 0.00 C ATOM 869 CD LYS A 60 16.159 2.472 9.926 1.00 0.00 C ATOM 870 CE LYS A 60 16.356 2.989 11.353 1.00 0.00 C ATOM 871 NZ LYS A 60 17.515 2.337 11.983 1.00 0.00 N ATOM 0 H LYS A 60 13.168 -1.601 10.680 1.00 0.00 H new ATOM 0 HA LYS A 60 13.202 1.054 11.994 1.00 0.00 H new ATOM 0 HB2 LYS A 60 15.340 0.511 11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.779 -0.255 9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.556 1.747 8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.014 2.616 10.100 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.900 1.703 9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 60 16.323 3.282 9.216 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.503 4.069 11.338 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.459 2.798 11.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.634 2.700 12.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.360 1.309 12.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 18.371 2.541 11.429 1.00 0.00 H new ATOM 885 N GLY A 61 10.920 1.312 10.788 1.00 0.00 N ATOM 886 CA GLY A 61 9.793 1.848 10.046 1.00 0.00 C ATOM 887 C GLY A 61 8.594 0.909 10.198 1.00 0.00 C ATOM 888 O GLY A 61 8.810 -0.290 10.431 1.00 0.00 O ATOM 0 H GLY A 61 10.746 1.192 11.786 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.540 2.842 10.415 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.054 1.955 8.993 1.00 0.00 H new ATOM 892 N PRO A 62 7.376 1.461 10.066 1.00 0.00 N ATOM 893 CA PRO A 62 6.136 0.710 10.180 1.00 0.00 C ATOM 894 C PRO A 62 5.893 -0.140 8.932 1.00 0.00 C ATOM 895 O PRO A 62 6.023 0.393 7.820 1.00 0.00 O ATOM 896 CB PRO A 62 5.060 1.758 10.404 1.00 0.00 C ATOM 897 CG PRO A 62 5.660 3.077 9.944 1.00 0.00 C ATOM 898 CD PRO A 62 7.159 2.879 9.791 1.00 0.00 C ATOM 0 HA PRO A 62 6.152 -0.006 11.002 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.159 1.520 9.838 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.773 1.805 11.455 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.218 3.388 8.998 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.451 3.865 10.668 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.493 3.143 8.788 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.714 3.507 10.488 1.00 0.00 H new ATOM 906 N ALA A 63 5.551 -1.425 9.137 1.00 0.00 N ATOM 907 CA ALA A 63 5.292 -2.337 8.035 1.00 0.00 C ATOM 908 C ALA A 63 3.788 -2.379 7.756 1.00 0.00 C ATOM 909 O ALA A 63 3.022 -1.846 8.571 1.00 0.00 O ATOM 910 CB ALA A 63 5.694 -3.757 8.437 1.00 0.00 C ATOM 0 H ALA A 63 5.450 -1.845 10.061 1.00 0.00 H new ATOM 0 HA ALA A 63 5.854 -1.996 7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.499 -4.439 7.609 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.756 -3.779 8.682 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.114 -4.067 9.306 1.00 0.00 H new ATOM 916 N ALA A 64 3.403 -3.003 6.627 1.00 0.00 N ATOM 917 CA ALA A 64 2.005 -3.112 6.248 1.00 0.00 C ATOM 918 C ALA A 64 1.555 -4.568 6.388 1.00 0.00 C ATOM 919 O ALA A 64 2.410 -5.427 6.646 1.00 0.00 O ATOM 920 CB ALA A 64 1.844 -2.754 4.768 1.00 0.00 C ATOM 0 H ALA A 64 4.051 -3.436 5.969 1.00 0.00 H new ATOM 0 HA ALA A 64 1.422 -2.446 6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.794 -2.836 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.185 -1.732 4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.438 -3.438 4.162 1.00 0.00 H new ATOM 926 N GLY A 65 0.243 -4.811 6.219 1.00 0.00 N ATOM 927 CA GLY A 65 -0.311 -6.150 6.327 1.00 0.00 C ATOM 928 C GLY A 65 -1.726 -6.159 5.746 1.00 0.00 C ATOM 929 O GLY A 65 -2.377 -5.104 5.759 1.00 0.00 O ATOM 0 H GLY A 65 -0.445 -4.088 6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.319 -6.861 5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.332 -6.465 7.370 1.00 0.00 H new ATOM 933 N ASN A 66 -2.168 -7.331 5.253 1.00 0.00 N ATOM 934 CA ASN A 66 -3.493 -7.473 4.674 1.00 0.00 C ATOM 935 C ASN A 66 -3.775 -6.278 3.761 1.00 0.00 C ATOM 936 O ASN A 66 -4.815 -5.627 3.945 1.00 0.00 O ATOM 937 CB ASN A 66 -4.569 -7.504 5.760 1.00 0.00 C ATOM 938 CG ASN A 66 -5.703 -8.457 5.381 1.00 0.00 C ATOM 939 OD1 ASN A 66 -6.327 -8.338 4.339 1.00 0.00 O ATOM 940 ND2 ASN A 66 -5.937 -9.407 6.282 1.00 0.00 N ATOM 0 H ASN A 66 -1.616 -8.189 5.250 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.519 -8.409 4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.127 -7.817 6.706 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.967 -6.501 5.911 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.676 -10.092 6.121 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.378 -9.451 7.134 1.00 0.00 H new ATOM 947 N VAL A 67 -2.862 -6.018 2.809 1.00 0.00 N ATOM 948 CA VAL A 67 -3.012 -4.912 1.878 1.00 0.00 C ATOM 949 C VAL A 67 -3.853 -5.367 0.684 1.00 0.00 C ATOM 950 O VAL A 67 -3.301 -6.024 -0.210 1.00 0.00 O ATOM 951 CB VAL A 67 -1.636 -4.377 1.474 1.00 0.00 C ATOM 952 CG1 VAL A 67 -1.649 -2.851 1.374 1.00 0.00 C ATOM 953 CG2 VAL A 67 -0.556 -4.856 2.443 1.00 0.00 C ATOM 0 H VAL A 67 -2.013 -6.567 2.673 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.541 -4.084 2.350 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.398 -4.774 0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.659 -2.497 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.378 -2.542 0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.919 -2.425 2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.412 -4.462 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.787 -4.503 3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.522 -5.945 2.440 1.00 0.00 H new ATOM 963 N THR A 68 -5.151 -5.015 0.692 1.00 0.00 N ATOM 964 CA THR A 68 -6.057 -5.384 -0.383 1.00 0.00 C ATOM 965 C THR A 68 -6.012 -4.311 -1.473 1.00 0.00 C ATOM 966 O THR A 68 -6.278 -3.142 -1.159 1.00 0.00 O ATOM 967 CB THR A 68 -7.453 -5.595 0.205 1.00 0.00 C ATOM 968 OG1 THR A 68 -8.334 -5.166 -0.828 1.00 0.00 O ATOM 969 CG2 THR A 68 -7.749 -4.645 1.367 1.00 0.00 C ATOM 0 H THR A 68 -5.586 -4.474 1.439 1.00 0.00 H new ATOM 0 HA THR A 68 -5.759 -6.320 -0.855 1.00 0.00 H new ATOM 0 HB THR A 68 -7.551 -6.626 0.546 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.262 -5.270 -0.531 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.752 -4.837 1.747 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.022 -4.806 2.163 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.684 -3.614 1.020 1.00 0.00 H new ATOM 977 N SER A 69 -5.681 -4.723 -2.710 1.00 0.00 N ATOM 978 CA SER A 69 -5.603 -3.804 -3.832 1.00 0.00 C ATOM 979 C SER A 69 -7.018 -3.421 -4.271 1.00 0.00 C ATOM 980 O SER A 69 -7.875 -4.314 -4.341 1.00 0.00 O ATOM 981 CB SER A 69 -4.831 -4.414 -5.003 1.00 0.00 C ATOM 982 OG SER A 69 -5.490 -5.558 -5.539 1.00 0.00 O ATOM 0 H SER A 69 -5.465 -5.691 -2.946 1.00 0.00 H new ATOM 0 HA SER A 69 -5.063 -2.913 -3.513 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.709 -3.666 -5.786 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.831 -4.694 -4.671 1.00 0.00 H new ATOM 0 HG SER A 69 -5.166 -5.726 -6.449 1.00 0.00 H new ATOM 988 N LEU A 70 -7.231 -2.123 -4.553 1.00 0.00 N ATOM 989 CA LEU A 70 -8.529 -1.631 -4.981 1.00 0.00 C ATOM 990 C LEU A 70 -8.413 -1.061 -6.395 1.00 0.00 C ATOM 991 O LEU A 70 -9.089 -1.526 -7.312 1.00 0.00 O ATOM 992 CB LEU A 70 -9.088 -0.637 -3.961 1.00 0.00 C ATOM 993 CG LEU A 70 -9.715 -1.246 -2.705 1.00 0.00 C ATOM 994 CD1 LEU A 70 -9.995 -0.168 -1.655 1.00 0.00 C ATOM 995 CD2 LEU A 70 -10.971 -2.048 -3.053 1.00 0.00 C ATOM 0 H LEU A 70 -6.511 -1.403 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.250 -2.447 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.282 0.030 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.839 -0.022 -4.457 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.999 -1.943 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.440 -0.627 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.061 0.321 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.683 0.571 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.397 -2.470 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.702 -1.392 -3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.710 -2.854 -3.739 1.00 0.00 H new