USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 509 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 5 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0203 K(o=-0.02,f=-1.4) USER MOD Single : A 45 SER OG : rot 180:sc= 0.00919 USER MOD Single : A 48 TYR OH : rot -51:sc= 0.398 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 1.18 (180deg=0.773) USER MOD Single : A 58 MET CE :methyl 150:sc= -0.24 (180deg=-0.563) USER MOD Single : A 59 GLN : amide:sc= -0.0921 X(o=-0.092,f=-0.54) USER MOD Single : A 61 SER OG : rot 92:sc= 0.65 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 51:sc= 0.0211 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.510 -11.582 19.764 1.00 0.00 N ATOM 2 CA GLY A 1 -0.296 -10.406 19.499 1.00 0.00 C ATOM 3 C GLY A 1 -1.677 -10.754 18.980 1.00 0.00 C ATOM 4 O GLY A 1 -2.545 -11.178 19.742 1.00 0.00 O ATOM 0 H1 GLY A 1 1.444 -11.290 20.117 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.039 -12.172 20.479 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.626 -12.128 18.887 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.392 -9.821 20.414 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.214 -9.776 18.770 1.00 0.00 H new ATOM 8 N SER A 2 -1.881 -10.574 17.679 1.00 0.00 N ATOM 9 CA SER A 2 -3.169 -10.866 17.059 1.00 0.00 C ATOM 10 C SER A 2 -2.978 -11.536 15.702 1.00 0.00 C ATOM 11 O SER A 2 -1.854 -11.675 15.218 1.00 0.00 O ATOM 12 CB SER A 2 -3.985 -9.583 16.898 1.00 0.00 C ATOM 13 OG SER A 2 -5.174 -9.635 17.668 1.00 0.00 O ATOM 0 H SER A 2 -1.171 -10.227 17.034 1.00 0.00 H new ATOM 0 HA SER A 2 -3.711 -11.552 17.710 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.386 -8.726 17.206 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.235 -9.436 15.847 1.00 0.00 H new ATOM 0 HG SER A 2 -5.677 -8.802 17.549 1.00 0.00 H new ATOM 19 N SER A 3 -4.085 -11.948 15.091 1.00 0.00 N ATOM 20 CA SER A 3 -4.041 -12.606 13.791 1.00 0.00 C ATOM 21 C SER A 3 -5.359 -12.424 13.044 1.00 0.00 C ATOM 22 O SER A 3 -6.428 -12.736 13.566 1.00 0.00 O ATOM 23 CB SER A 3 -3.739 -14.096 13.960 1.00 0.00 C ATOM 24 OG SER A 3 -2.517 -14.444 13.333 1.00 0.00 O ATOM 0 H SER A 3 -5.023 -11.837 15.476 1.00 0.00 H new ATOM 0 HA SER A 3 -3.245 -12.145 13.205 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.690 -14.342 15.021 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.551 -14.685 13.533 1.00 0.00 H new ATOM 0 HG SER A 3 -2.347 -15.401 13.457 1.00 0.00 H new ATOM 30 N GLY A 4 -5.273 -11.914 11.820 1.00 0.00 N ATOM 31 CA GLY A 4 -6.465 -11.698 11.020 1.00 0.00 C ATOM 32 C GLY A 4 -6.172 -11.692 9.533 1.00 0.00 C ATOM 33 O GLY A 4 -5.746 -10.678 8.981 1.00 0.00 O ATOM 0 H GLY A 4 -4.399 -11.646 11.367 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.193 -12.479 11.241 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.920 -10.749 11.301 1.00 0.00 H new ATOM 37 N SER A 5 -6.400 -12.829 8.882 1.00 0.00 N ATOM 38 CA SER A 5 -6.154 -12.953 7.451 1.00 0.00 C ATOM 39 C SER A 5 -7.379 -12.524 6.649 1.00 0.00 C ATOM 40 O SER A 5 -8.505 -12.914 6.961 1.00 0.00 O ATOM 41 CB SER A 5 -5.777 -14.393 7.099 1.00 0.00 C ATOM 42 OG SER A 5 -5.491 -14.523 5.717 1.00 0.00 O ATOM 0 H SER A 5 -6.755 -13.677 9.324 1.00 0.00 H new ATOM 0 HA SER A 5 -5.324 -12.295 7.192 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.909 -14.698 7.683 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.594 -15.062 7.369 1.00 0.00 H new ATOM 0 HG SER A 5 -5.251 -15.452 5.519 1.00 0.00 H new ATOM 48 N SER A 6 -7.152 -11.721 5.615 1.00 0.00 N ATOM 49 CA SER A 6 -8.236 -11.237 4.770 1.00 0.00 C ATOM 50 C SER A 6 -9.313 -10.554 5.608 1.00 0.00 C ATOM 51 O SER A 6 -9.243 -10.537 6.835 1.00 0.00 O ATOM 52 CB SER A 6 -8.848 -12.392 3.975 1.00 0.00 C ATOM 53 OG SER A 6 -7.840 -13.191 3.380 1.00 0.00 O ATOM 0 H SER A 6 -6.226 -11.392 5.342 1.00 0.00 H new ATOM 0 HA SER A 6 -7.823 -10.507 4.074 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.462 -13.006 4.634 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.507 -11.997 3.202 1.00 0.00 H new ATOM 0 HG SER A 6 -8.256 -13.923 2.879 1.00 0.00 H new ATOM 59 N GLY A 7 -10.311 -9.991 4.932 1.00 0.00 N ATOM 60 CA GLY A 7 -11.390 -9.314 5.628 1.00 0.00 C ATOM 61 C GLY A 7 -11.234 -7.807 5.613 1.00 0.00 C ATOM 62 O GLY A 7 -10.144 -7.290 5.365 1.00 0.00 O ATOM 0 H GLY A 7 -10.391 -9.992 3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.340 -9.582 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.427 -9.662 6.660 1.00 0.00 H new ATOM 66 N VAL A 8 -12.327 -7.097 5.875 1.00 0.00 N ATOM 67 CA VAL A 8 -12.307 -5.639 5.889 1.00 0.00 C ATOM 68 C VAL A 8 -11.513 -5.112 7.079 1.00 0.00 C ATOM 69 O VAL A 8 -11.221 -3.920 7.164 1.00 0.00 O ATOM 70 CB VAL A 8 -13.733 -5.059 5.940 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.443 -5.270 4.611 1.00 0.00 C ATOM 72 CG2 VAL A 8 -14.522 -5.685 7.080 1.00 0.00 C ATOM 0 H VAL A 8 -13.238 -7.508 6.080 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.826 -5.320 4.965 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.664 -3.986 6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.449 -4.854 4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.886 -4.771 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.503 -6.337 4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.527 -5.264 7.101 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.584 -6.763 6.931 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.022 -5.477 8.026 1.00 0.00 H new ATOM 82 N GLY A 9 -11.166 -6.009 7.996 1.00 0.00 N ATOM 83 CA GLY A 9 -10.408 -5.615 9.170 1.00 0.00 C ATOM 84 C GLY A 9 -9.004 -5.159 8.826 1.00 0.00 C ATOM 85 O GLY A 9 -8.446 -4.285 9.491 1.00 0.00 O ATOM 0 H GLY A 9 -11.396 -7.002 7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.933 -4.810 9.684 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.355 -6.455 9.863 1.00 0.00 H new ATOM 89 N THR A 10 -8.428 -5.752 7.786 1.00 0.00 N ATOM 90 CA THR A 10 -7.079 -5.404 7.357 1.00 0.00 C ATOM 91 C THR A 10 -7.063 -4.067 6.624 1.00 0.00 C ATOM 92 O THR A 10 -6.217 -3.214 6.891 1.00 0.00 O ATOM 93 CB THR A 10 -6.484 -6.488 6.437 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.407 -7.735 7.135 1.00 0.00 O ATOM 95 CG2 THR A 10 -5.100 -6.086 5.952 1.00 0.00 C ATOM 0 H THR A 10 -8.875 -6.477 7.224 1.00 0.00 H new ATOM 0 HA THR A 10 -6.471 -5.329 8.258 1.00 0.00 H new ATOM 0 HB THR A 10 -7.137 -6.597 5.571 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.030 -8.419 6.543 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.700 -6.866 5.304 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.167 -5.151 5.395 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.439 -5.952 6.808 1.00 0.00 H new ATOM 103 N ILE A 11 -8.003 -3.892 5.702 1.00 0.00 N ATOM 104 CA ILE A 11 -8.097 -2.658 4.933 1.00 0.00 C ATOM 105 C ILE A 11 -8.294 -1.453 5.847 1.00 0.00 C ATOM 106 O ILE A 11 -7.540 -0.482 5.785 1.00 0.00 O ATOM 107 CB ILE A 11 -9.254 -2.713 3.919 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.165 -3.989 3.079 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.235 -1.482 3.025 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.482 -4.722 2.951 1.00 0.00 C ATOM 0 H ILE A 11 -8.710 -4.589 5.469 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.156 -2.551 4.393 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.196 -2.726 4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.802 -3.734 2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.429 -4.657 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.059 -1.536 2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.342 -0.586 3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.290 -1.440 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.343 -5.616 2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.837 -5.008 3.941 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.216 -4.071 2.477 1.00 0.00 H new ATOM 122 N ASP A 12 -9.312 -1.525 6.698 1.00 0.00 N ATOM 123 CA ASP A 12 -9.607 -0.442 7.629 1.00 0.00 C ATOM 124 C ASP A 12 -8.325 0.112 8.242 1.00 0.00 C ATOM 125 O ASP A 12 -8.257 1.287 8.606 1.00 0.00 O ATOM 126 CB ASP A 12 -10.545 -0.932 8.734 1.00 0.00 C ATOM 127 CG ASP A 12 -11.406 0.181 9.298 1.00 0.00 C ATOM 128 OD1 ASP A 12 -10.934 0.891 10.210 1.00 0.00 O ATOM 129 OD2 ASP A 12 -12.552 0.341 8.828 1.00 0.00 O ATOM 0 H ASP A 12 -9.946 -2.321 6.762 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.098 0.357 7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.187 -1.719 8.339 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.956 -1.374 9.537 1.00 0.00 H new ATOM 134 N GLN A 13 -7.312 -0.740 8.353 1.00 0.00 N ATOM 135 CA GLN A 13 -6.033 -0.334 8.924 1.00 0.00 C ATOM 136 C GLN A 13 -5.077 0.145 7.835 1.00 0.00 C ATOM 137 O GLN A 13 -4.383 1.148 8.001 1.00 0.00 O ATOM 138 CB GLN A 13 -5.403 -1.496 9.695 1.00 0.00 C ATOM 139 CG GLN A 13 -6.106 -1.807 11.006 1.00 0.00 C ATOM 140 CD GLN A 13 -5.164 -2.365 12.055 1.00 0.00 C ATOM 141 OE1 GLN A 13 -4.999 -3.579 12.176 1.00 0.00 O ATOM 142 NE2 GLN A 13 -4.540 -1.478 12.821 1.00 0.00 N ATOM 0 H GLN A 13 -7.351 -1.715 8.056 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.217 0.492 9.610 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.413 -2.386 9.066 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.358 -1.262 9.899 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.572 -0.899 11.388 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.906 -2.524 10.824 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.707 -0.481 12.686 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.894 -1.794 13.544 1.00 0.00 H new ATOM 151 N LEU A 14 -5.049 -0.578 6.721 1.00 0.00 N ATOM 152 CA LEU A 14 -4.179 -0.227 5.604 1.00 0.00 C ATOM 153 C LEU A 14 -4.442 1.201 5.136 1.00 0.00 C ATOM 154 O LEU A 14 -3.542 2.041 5.137 1.00 0.00 O ATOM 155 CB LEU A 14 -4.387 -1.202 4.443 1.00 0.00 C ATOM 156 CG LEU A 14 -3.709 -0.830 3.124 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.201 -0.746 3.305 1.00 0.00 C ATOM 158 CD2 LEU A 14 -4.063 -1.837 2.041 1.00 0.00 C ATOM 0 H LEU A 14 -5.618 -1.410 6.567 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.146 -0.294 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.026 -2.183 4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.458 -1.299 4.263 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.072 0.150 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.735 -0.480 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.966 0.014 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.820 -1.711 3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.572 -1.557 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.728 -2.829 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.143 -1.848 1.893 1.00 0.00 H new ATOM 170 N VAL A 15 -5.682 1.470 4.739 1.00 0.00 N ATOM 171 CA VAL A 15 -6.065 2.796 4.273 1.00 0.00 C ATOM 172 C VAL A 15 -5.487 3.883 5.172 1.00 0.00 C ATOM 173 O VAL A 15 -4.796 4.789 4.705 1.00 0.00 O ATOM 174 CB VAL A 15 -7.597 2.952 4.219 1.00 0.00 C ATOM 175 CG1 VAL A 15 -7.982 4.422 4.152 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.167 2.188 3.033 1.00 0.00 C ATOM 0 H VAL A 15 -6.438 0.786 4.731 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.660 2.906 3.267 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.021 2.532 5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.068 4.512 4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.605 4.937 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.549 4.871 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.250 2.308 3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.738 2.577 2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.922 1.130 3.130 1.00 0.00 H new ATOM 186 N LYS A 16 -5.772 3.787 6.466 1.00 0.00 N ATOM 187 CA LYS A 16 -5.279 4.760 7.434 1.00 0.00 C ATOM 188 C LYS A 16 -3.810 5.084 7.179 1.00 0.00 C ATOM 189 O LYS A 16 -3.379 6.226 7.340 1.00 0.00 O ATOM 190 CB LYS A 16 -5.456 4.229 8.857 1.00 0.00 C ATOM 191 CG LYS A 16 -4.168 3.723 9.484 1.00 0.00 C ATOM 192 CD LYS A 16 -4.436 2.953 10.766 1.00 0.00 C ATOM 193 CE LYS A 16 -3.587 3.473 11.915 1.00 0.00 C ATOM 194 NZ LYS A 16 -3.575 2.529 13.067 1.00 0.00 N ATOM 0 H LYS A 16 -6.343 3.044 6.869 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.860 5.675 7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.868 5.021 9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.186 3.420 8.845 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.645 3.081 8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.510 4.566 9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.491 3.034 11.026 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.227 1.895 10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.567 3.636 11.568 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.970 4.440 12.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.986 2.919 13.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.546 2.393 13.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.185 1.614 12.762 1.00 0.00 H new ATOM 208 N ARG A 17 -3.047 4.072 6.782 1.00 0.00 N ATOM 209 CA ARG A 17 -1.626 4.249 6.505 1.00 0.00 C ATOM 210 C ARG A 17 -1.415 5.181 5.315 1.00 0.00 C ATOM 211 O ARG A 17 -0.953 6.311 5.471 1.00 0.00 O ATOM 212 CB ARG A 17 -0.965 2.897 6.230 1.00 0.00 C ATOM 213 CG ARG A 17 -1.215 1.865 7.318 1.00 0.00 C ATOM 214 CD ARG A 17 -0.202 0.734 7.255 1.00 0.00 C ATOM 215 NE ARG A 17 -0.219 -0.084 8.466 1.00 0.00 N ATOM 216 CZ ARG A 17 0.702 -1.000 8.747 1.00 0.00 C ATOM 217 NH1 ARG A 17 1.707 -1.213 7.910 1.00 0.00 N ATOM 218 NH2 ARG A 17 0.616 -1.705 9.868 1.00 0.00 N ATOM 0 H ARG A 17 -3.388 3.121 6.645 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.165 4.699 7.384 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.333 2.508 5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.109 3.043 6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.165 2.345 8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.221 1.460 7.213 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.414 0.106 6.390 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.796 1.149 7.111 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.979 0.056 9.132 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.775 -0.673 7.047 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.412 -1.917 8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.157 -1.544 10.514 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.323 -2.408 10.084 1.00 0.00 H new ATOM 232 N VAL A 18 -1.760 4.699 4.124 1.00 0.00 N ATOM 233 CA VAL A 18 -1.609 5.488 2.908 1.00 0.00 C ATOM 234 C VAL A 18 -2.058 6.928 3.127 1.00 0.00 C ATOM 235 O VAL A 18 -1.637 7.835 2.410 1.00 0.00 O ATOM 236 CB VAL A 18 -2.416 4.883 1.744 1.00 0.00 C ATOM 237 CG1 VAL A 18 -1.940 3.470 1.440 1.00 0.00 C ATOM 238 CG2 VAL A 18 -3.903 4.895 2.064 1.00 0.00 C ATOM 0 H VAL A 18 -2.146 3.766 3.977 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.549 5.476 2.653 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.253 5.494 0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.522 3.060 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.886 3.493 1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.071 2.844 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.458 4.464 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.086 4.308 2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.232 5.921 2.227 1.00 0.00 H new ATOM 248 N ILE A 19 -2.912 7.130 4.124 1.00 0.00 N ATOM 249 CA ILE A 19 -3.417 8.461 4.441 1.00 0.00 C ATOM 250 C ILE A 19 -2.396 9.259 5.245 1.00 0.00 C ATOM 251 O ILE A 19 -1.965 10.333 4.829 1.00 0.00 O ATOM 252 CB ILE A 19 -4.736 8.390 5.232 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.817 7.697 4.401 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.185 9.785 5.638 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.584 8.639 3.500 1.00 0.00 C ATOM 0 H ILE A 19 -3.269 6.389 4.727 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.600 8.963 3.491 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.570 7.805 6.137 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.354 6.921 3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.517 7.199 5.072 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.119 9.719 6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.420 10.246 6.263 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.338 10.392 4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.333 8.078 2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.077 9.400 4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.895 9.118 2.804 1.00 0.00 H new ATOM 267 N GLU A 20 -2.012 8.722 6.400 1.00 0.00 N ATOM 268 CA GLU A 20 -1.041 9.385 7.264 1.00 0.00 C ATOM 269 C GLU A 20 0.371 9.244 6.702 1.00 0.00 C ATOM 270 O GLU A 20 1.311 9.867 7.193 1.00 0.00 O ATOM 271 CB GLU A 20 -1.100 8.801 8.677 1.00 0.00 C ATOM 272 CG GLU A 20 -2.494 8.368 9.099 1.00 0.00 C ATOM 273 CD GLU A 20 -2.951 9.037 10.381 1.00 0.00 C ATOM 274 OE1 GLU A 20 -2.489 10.164 10.657 1.00 0.00 O ATOM 275 OE2 GLU A 20 -3.767 8.434 11.108 1.00 0.00 O ATOM 0 H GLU A 20 -2.358 7.832 6.758 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.293 10.445 7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.429 7.944 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.730 9.544 9.384 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.199 8.600 8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.509 7.286 9.233 1.00 0.00 H new ATOM 282 N GLY A 21 0.511 8.419 5.670 1.00 0.00 N ATOM 283 CA GLY A 21 1.811 8.209 5.058 1.00 0.00 C ATOM 284 C GLY A 21 2.712 7.328 5.899 1.00 0.00 C ATOM 285 O GLY A 21 3.825 6.996 5.491 1.00 0.00 O ATOM 0 H GLY A 21 -0.252 7.892 5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.678 7.755 4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.295 9.173 4.900 1.00 0.00 H new ATOM 289 N SER A 22 2.231 6.947 7.079 1.00 0.00 N ATOM 290 CA SER A 22 3.004 6.102 7.983 1.00 0.00 C ATOM 291 C SER A 22 3.754 5.022 7.209 1.00 0.00 C ATOM 292 O SER A 22 4.784 4.521 7.661 1.00 0.00 O ATOM 293 CB SER A 22 2.085 5.457 9.021 1.00 0.00 C ATOM 294 OG SER A 22 2.780 4.487 9.785 1.00 0.00 O ATOM 0 H SER A 22 1.310 7.210 7.431 1.00 0.00 H new ATOM 0 HA SER A 22 3.733 6.730 8.494 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.682 6.225 9.682 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.237 4.990 8.520 1.00 0.00 H new ATOM 0 HG SER A 22 2.171 4.091 10.442 1.00 0.00 H new ATOM 300 N LEU A 23 3.230 4.669 6.041 1.00 0.00 N ATOM 301 CA LEU A 23 3.848 3.648 5.202 1.00 0.00 C ATOM 302 C LEU A 23 4.549 4.279 4.003 1.00 0.00 C ATOM 303 O LEU A 23 4.011 5.181 3.361 1.00 0.00 O ATOM 304 CB LEU A 23 2.795 2.647 4.723 1.00 0.00 C ATOM 305 CG LEU A 23 2.206 2.905 3.335 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.606 1.630 2.765 1.00 0.00 C ATOM 307 CD2 LEU A 23 1.160 4.008 3.396 1.00 0.00 C ATOM 0 H LEU A 23 2.378 5.075 5.653 1.00 0.00 H new ATOM 0 HA LEU A 23 4.593 3.124 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.240 1.652 4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.979 2.635 5.446 1.00 0.00 H new ATOM 0 HG LEU A 23 3.010 3.231 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.192 1.833 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.381 0.868 2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.814 1.274 3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.752 4.178 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.357 3.711 4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.620 4.926 3.761 1.00 0.00 H new ATOM 319 N SER A 24 5.752 3.798 3.706 1.00 0.00 N ATOM 320 CA SER A 24 6.527 4.316 2.585 1.00 0.00 C ATOM 321 C SER A 24 5.720 4.258 1.293 1.00 0.00 C ATOM 322 O SER A 24 4.726 3.539 1.184 1.00 0.00 O ATOM 323 CB SER A 24 7.825 3.522 2.426 1.00 0.00 C ATOM 324 OG SER A 24 8.924 4.223 2.982 1.00 0.00 O ATOM 0 H SER A 24 6.211 3.050 4.226 1.00 0.00 H new ATOM 0 HA SER A 24 6.770 5.358 2.794 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.724 2.553 2.914 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.010 3.329 1.369 1.00 0.00 H new ATOM 0 HG SER A 24 9.741 3.693 2.869 1.00 0.00 H new ATOM 330 N PRO A 25 6.155 5.033 0.288 1.00 0.00 N ATOM 331 CA PRO A 25 5.488 5.088 -1.015 1.00 0.00 C ATOM 332 C PRO A 25 5.658 3.796 -1.808 1.00 0.00 C ATOM 333 O PRO A 25 4.800 3.431 -2.612 1.00 0.00 O ATOM 334 CB PRO A 25 6.192 6.247 -1.726 1.00 0.00 C ATOM 335 CG PRO A 25 7.534 6.325 -1.084 1.00 0.00 C ATOM 336 CD PRO A 25 7.332 5.915 0.349 1.00 0.00 C ATOM 0 HA PRO A 25 4.411 5.222 -0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.275 6.062 -2.797 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.640 7.179 -1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.244 5.665 -1.582 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.939 7.335 -1.148 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.204 5.395 0.745 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.156 6.777 0.993 1.00 0.00 H new ATOM 344 N LYS A 26 6.770 3.108 -1.576 1.00 0.00 N ATOM 345 CA LYS A 26 7.053 1.855 -2.267 1.00 0.00 C ATOM 346 C LYS A 26 6.202 0.720 -1.707 1.00 0.00 C ATOM 347 O LYS A 26 5.715 -0.129 -2.453 1.00 0.00 O ATOM 348 CB LYS A 26 8.537 1.503 -2.142 1.00 0.00 C ATOM 349 CG LYS A 26 9.013 0.497 -3.175 1.00 0.00 C ATOM 350 CD LYS A 26 9.068 1.108 -4.565 1.00 0.00 C ATOM 351 CE LYS A 26 9.285 0.048 -5.632 1.00 0.00 C ATOM 352 NZ LYS A 26 9.541 0.650 -6.970 1.00 0.00 N ATOM 0 H LYS A 26 7.491 3.397 -0.914 1.00 0.00 H new ATOM 0 HA LYS A 26 6.804 1.986 -3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.127 2.415 -2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.724 1.104 -1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.002 0.130 -2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.344 -0.364 -3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.139 1.643 -4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.874 1.841 -4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.128 -0.583 -5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.408 -0.597 -5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.684 -0.106 -7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.726 1.232 -7.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.392 1.246 -6.926 1.00 0.00 H new ATOM 366 N GLU A 27 6.024 0.714 -0.390 1.00 0.00 N ATOM 367 CA GLU A 27 5.231 -0.317 0.270 1.00 0.00 C ATOM 368 C GLU A 27 3.857 -0.447 -0.384 1.00 0.00 C ATOM 369 O GLU A 27 3.383 -1.553 -0.640 1.00 0.00 O ATOM 370 CB GLU A 27 5.071 0.004 1.757 1.00 0.00 C ATOM 371 CG GLU A 27 5.863 -0.921 2.668 1.00 0.00 C ATOM 372 CD GLU A 27 5.057 -2.125 3.117 1.00 0.00 C ATOM 373 OE1 GLU A 27 4.891 -3.063 2.310 1.00 0.00 O ATOM 374 OE2 GLU A 27 4.595 -2.129 4.276 1.00 0.00 O ATOM 0 H GLU A 27 6.418 1.411 0.241 1.00 0.00 H new ATOM 0 HA GLU A 27 5.757 -1.266 0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.386 1.032 1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.015 -0.056 2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.758 -1.261 2.146 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.197 -0.364 3.544 1.00 0.00 H new ATOM 381 N ARG A 28 3.225 0.691 -0.650 1.00 0.00 N ATOM 382 CA ARG A 28 1.907 0.706 -1.271 1.00 0.00 C ATOM 383 C ARG A 28 1.884 -0.175 -2.517 1.00 0.00 C ATOM 384 O ARG A 28 1.071 -1.094 -2.626 1.00 0.00 O ATOM 385 CB ARG A 28 1.507 2.137 -1.638 1.00 0.00 C ATOM 386 CG ARG A 28 1.366 3.056 -0.436 1.00 0.00 C ATOM 387 CD ARG A 28 0.958 4.461 -0.854 1.00 0.00 C ATOM 388 NE ARG A 28 1.847 5.477 -0.296 1.00 0.00 N ATOM 389 CZ ARG A 28 1.731 6.775 -0.553 1.00 0.00 C ATOM 390 NH1 ARG A 28 0.768 7.212 -1.352 1.00 0.00 N ATOM 391 NH2 ARG A 28 2.577 7.639 -0.007 1.00 0.00 N ATOM 0 H ARG A 28 3.605 1.615 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 28 1.190 0.309 -0.552 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.253 2.551 -2.316 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.562 2.114 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.623 2.649 0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.311 3.096 0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.964 4.532 -1.942 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.064 4.654 -0.527 1.00 0.00 H new ATOM 0 HE ARG A 28 2.597 5.173 0.325 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.114 6.551 -1.771 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.681 8.209 -1.548 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.317 7.307 0.611 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.487 8.636 -0.205 1.00 0.00 H new ATOM 405 N THR A 29 2.780 0.112 -3.456 1.00 0.00 N ATOM 406 CA THR A 29 2.861 -0.651 -4.695 1.00 0.00 C ATOM 407 C THR A 29 3.139 -2.124 -4.415 1.00 0.00 C ATOM 408 O THR A 29 2.732 -3.000 -5.179 1.00 0.00 O ATOM 409 CB THR A 29 3.960 -0.101 -5.624 1.00 0.00 C ATOM 410 OG1 THR A 29 3.499 1.088 -6.275 1.00 0.00 O ATOM 411 CG2 THR A 29 4.355 -1.136 -6.666 1.00 0.00 C ATOM 0 H THR A 29 3.460 0.868 -3.382 1.00 0.00 H new ATOM 0 HA THR A 29 1.895 -0.553 -5.190 1.00 0.00 H new ATOM 0 HB THR A 29 4.835 0.133 -5.018 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.203 1.433 -6.863 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.132 -0.725 -7.310 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.732 -2.029 -6.167 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.485 -1.397 -7.268 1.00 0.00 H new ATOM 419 N LEU A 30 3.835 -2.392 -3.315 1.00 0.00 N ATOM 420 CA LEU A 30 4.167 -3.760 -2.934 1.00 0.00 C ATOM 421 C LEU A 30 2.946 -4.479 -2.369 1.00 0.00 C ATOM 422 O LEU A 30 2.832 -5.702 -2.467 1.00 0.00 O ATOM 423 CB LEU A 30 5.297 -3.762 -1.903 1.00 0.00 C ATOM 424 CG LEU A 30 6.627 -3.164 -2.363 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.578 -3.008 -1.187 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.254 -4.029 -3.447 1.00 0.00 C ATOM 0 H LEU A 30 4.180 -1.680 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 30 4.497 -4.291 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.960 -3.214 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.473 -4.791 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 30 6.434 -2.176 -2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.519 -2.581 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.132 -2.347 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.766 -3.984 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.200 -3.588 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.433 -5.030 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.579 -4.089 -4.301 1.00 0.00 H new ATOM 438 N LEU A 31 2.036 -3.713 -1.778 1.00 0.00 N ATOM 439 CA LEU A 31 0.821 -4.277 -1.199 1.00 0.00 C ATOM 440 C LEU A 31 0.125 -5.204 -2.190 1.00 0.00 C ATOM 441 O LEU A 31 -0.405 -6.250 -1.812 1.00 0.00 O ATOM 442 CB LEU A 31 -0.132 -3.157 -0.775 1.00 0.00 C ATOM 443 CG LEU A 31 0.360 -2.249 0.353 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.600 -1.088 0.560 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.528 -3.041 1.642 1.00 0.00 C ATOM 0 H LEU A 31 2.116 -2.700 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 31 1.102 -4.859 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.344 -2.538 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.076 -3.607 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 31 1.332 -1.845 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.234 -0.453 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.669 -0.505 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.586 -1.473 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.879 -2.378 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.430 -3.475 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.255 -3.838 1.487 1.00 0.00 H new ATOM 457 N LYS A 32 0.130 -4.816 -3.460 1.00 0.00 N ATOM 458 CA LYS A 32 -0.498 -5.612 -4.508 1.00 0.00 C ATOM 459 C LYS A 32 0.199 -6.961 -4.656 1.00 0.00 C ATOM 460 O LYS A 32 -0.441 -7.971 -4.946 1.00 0.00 O ATOM 461 CB LYS A 32 -0.463 -4.860 -5.839 1.00 0.00 C ATOM 462 CG LYS A 32 -0.896 -3.407 -5.729 1.00 0.00 C ATOM 463 CD LYS A 32 -1.911 -3.045 -6.799 1.00 0.00 C ATOM 464 CE LYS A 32 -2.428 -1.626 -6.620 1.00 0.00 C ATOM 465 NZ LYS A 32 -2.274 -0.818 -7.862 1.00 0.00 N ATOM 0 H LYS A 32 0.563 -3.953 -3.789 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.536 -5.787 -4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.549 -4.899 -6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.110 -5.370 -6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.326 -3.228 -4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.024 -2.759 -5.819 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.455 -3.145 -7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.746 -3.745 -6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.480 -1.656 -6.334 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.890 -1.144 -5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.638 0.142 -7.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.268 -0.768 -8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.808 -1.264 -8.635 1.00 0.00 H new ATOM 479 N GLU A 33 1.513 -6.969 -4.453 1.00 0.00 N ATOM 480 CA GLU A 33 2.294 -8.195 -4.564 1.00 0.00 C ATOM 481 C GLU A 33 1.968 -9.153 -3.422 1.00 0.00 C ATOM 482 O GLU A 33 2.250 -10.349 -3.502 1.00 0.00 O ATOM 483 CB GLU A 33 3.791 -7.874 -4.564 1.00 0.00 C ATOM 484 CG GLU A 33 4.202 -6.889 -5.644 1.00 0.00 C ATOM 485 CD GLU A 33 5.672 -6.996 -6.003 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.517 -6.666 -5.145 1.00 0.00 O ATOM 487 OE2 GLU A 33 5.976 -7.410 -7.141 1.00 0.00 O ATOM 0 H GLU A 33 2.058 -6.141 -4.211 1.00 0.00 H new ATOM 0 HA GLU A 33 2.033 -8.678 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.067 -7.469 -3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.352 -8.799 -4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.600 -7.062 -6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.987 -5.875 -5.307 1.00 0.00 H new ATOM 494 N ASP A 34 1.374 -8.619 -2.361 1.00 0.00 N ATOM 495 CA ASP A 34 1.009 -9.427 -1.202 1.00 0.00 C ATOM 496 C ASP A 34 -0.329 -10.125 -1.427 1.00 0.00 C ATOM 497 O ASP A 34 -1.258 -9.566 -2.009 1.00 0.00 O ATOM 498 CB ASP A 34 0.939 -8.554 0.052 1.00 0.00 C ATOM 499 CG ASP A 34 1.625 -9.194 1.242 1.00 0.00 C ATOM 500 OD1 ASP A 34 2.717 -9.772 1.058 1.00 0.00 O ATOM 501 OD2 ASP A 34 1.070 -9.118 2.358 1.00 0.00 O ATOM 0 H ASP A 34 1.135 -7.631 -2.279 1.00 0.00 H new ATOM 0 HA ASP A 34 1.777 -10.188 -1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.402 -7.589 -0.155 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.105 -8.361 0.299 1.00 0.00 H new ATOM 506 N PRO A 35 -0.429 -11.376 -0.955 1.00 0.00 N ATOM 507 CA PRO A 35 -1.650 -12.178 -1.093 1.00 0.00 C ATOM 508 C PRO A 35 -2.788 -11.655 -0.225 1.00 0.00 C ATOM 509 O PRO A 35 -3.962 -11.845 -0.544 1.00 0.00 O ATOM 510 CB PRO A 35 -1.214 -13.569 -0.624 1.00 0.00 C ATOM 511 CG PRO A 35 -0.066 -13.317 0.291 1.00 0.00 C ATOM 512 CD PRO A 35 0.639 -12.105 -0.251 1.00 0.00 C ATOM 0 HA PRO A 35 -2.038 -12.158 -2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.024 -14.085 -0.110 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.920 -14.196 -1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.411 -13.144 1.311 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.604 -14.176 0.322 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.077 -11.505 0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.450 -12.380 -0.925 1.00 0.00 H new ATOM 520 N ALA A 36 -2.433 -10.995 0.873 1.00 0.00 N ATOM 521 CA ALA A 36 -3.427 -10.443 1.786 1.00 0.00 C ATOM 522 C ALA A 36 -4.219 -9.321 1.123 1.00 0.00 C ATOM 523 O ALA A 36 -5.368 -9.064 1.479 1.00 0.00 O ATOM 524 CB ALA A 36 -2.755 -9.940 3.055 1.00 0.00 C ATOM 0 H ALA A 36 -1.466 -10.830 1.152 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.125 -11.238 2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.508 -9.530 3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.240 -10.766 3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.034 -9.163 2.801 1.00 0.00 H new ATOM 530 N TYR A 37 -3.595 -8.654 0.158 1.00 0.00 N ATOM 531 CA TYR A 37 -4.240 -7.558 -0.554 1.00 0.00 C ATOM 532 C TYR A 37 -4.527 -7.941 -2.002 1.00 0.00 C ATOM 533 O TYR A 37 -4.115 -7.247 -2.933 1.00 0.00 O ATOM 534 CB TYR A 37 -3.361 -6.306 -0.511 1.00 0.00 C ATOM 535 CG TYR A 37 -2.930 -5.917 0.886 1.00 0.00 C ATOM 536 CD1 TYR A 37 -3.829 -5.340 1.775 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.626 -6.124 1.315 1.00 0.00 C ATOM 538 CE1 TYR A 37 -3.441 -4.982 3.051 1.00 0.00 C ATOM 539 CE2 TYR A 37 -1.229 -5.770 2.590 1.00 0.00 C ATOM 540 CZ TYR A 37 -2.140 -5.199 3.454 1.00 0.00 C ATOM 541 OH TYR A 37 -1.748 -4.844 4.725 1.00 0.00 O ATOM 0 H TYR A 37 -2.643 -8.854 -0.149 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.188 -7.346 -0.059 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.474 -6.473 -1.122 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.905 -5.475 -0.959 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.849 -5.169 1.463 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.910 -6.569 0.640 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.152 -4.535 3.729 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.211 -5.939 2.908 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.801 -5.065 4.849 1.00 0.00 H new ATOM 551 N TRP A 38 -5.236 -9.049 -2.184 1.00 0.00 N ATOM 552 CA TRP A 38 -5.579 -9.525 -3.519 1.00 0.00 C ATOM 553 C TRP A 38 -6.729 -8.715 -4.107 1.00 0.00 C ATOM 554 O TRP A 38 -6.700 -8.337 -5.279 1.00 0.00 O ATOM 555 CB TRP A 38 -5.955 -11.008 -3.473 1.00 0.00 C ATOM 556 CG TRP A 38 -7.113 -11.299 -2.567 1.00 0.00 C ATOM 557 CD1 TRP A 38 -7.055 -11.790 -1.294 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.502 -11.118 -2.867 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.324 -11.926 -0.785 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.229 -11.520 -1.729 1.00 0.00 C ATOM 561 CE3 TRP A 38 -9.201 -10.655 -3.984 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.620 -11.472 -1.680 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.582 -10.608 -3.933 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.279 -11.014 -2.787 1.00 0.00 C ATOM 0 H TRP A 38 -5.584 -9.634 -1.425 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.705 -9.398 -4.158 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.197 -11.345 -4.481 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.091 -11.585 -3.143 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.146 -12.035 -0.765 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.555 -12.273 0.146 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.673 -10.339 -4.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.159 -11.786 -0.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -11.133 -10.252 -4.791 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.358 -10.964 -2.778 1.00 0.00 H new ATOM 575 N PHE A 39 -7.742 -8.452 -3.287 1.00 0.00 N ATOM 576 CA PHE A 39 -8.903 -7.686 -3.727 1.00 0.00 C ATOM 577 C PHE A 39 -8.473 -6.444 -4.502 1.00 0.00 C ATOM 578 O PHE A 39 -9.163 -6.003 -5.422 1.00 0.00 O ATOM 579 CB PHE A 39 -9.758 -7.281 -2.526 1.00 0.00 C ATOM 580 CG PHE A 39 -8.977 -6.610 -1.432 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.353 -7.361 -0.448 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.866 -5.231 -1.387 1.00 0.00 C ATOM 583 CE1 PHE A 39 -7.633 -6.747 0.559 1.00 0.00 C ATOM 584 CE2 PHE A 39 -8.149 -4.610 -0.383 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.530 -5.369 0.591 1.00 0.00 C ATOM 0 H PHE A 39 -7.782 -8.758 -2.315 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.495 -8.318 -4.388 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.547 -6.609 -2.862 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.245 -8.168 -2.122 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.430 -8.438 -0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.346 -4.633 -2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.151 -7.343 1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.072 -3.533 -0.360 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.967 -4.887 1.376 1.00 0.00 H new ATOM 595 N LEU A 40 -7.330 -5.884 -4.123 1.00 0.00 N ATOM 596 CA LEU A 40 -6.806 -4.691 -4.780 1.00 0.00 C ATOM 597 C LEU A 40 -7.055 -4.746 -6.284 1.00 0.00 C ATOM 598 O LEU A 40 -7.580 -3.800 -6.872 1.00 0.00 O ATOM 599 CB LEU A 40 -5.309 -4.548 -4.505 1.00 0.00 C ATOM 600 CG LEU A 40 -4.920 -4.247 -3.057 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.406 -4.213 -2.908 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.532 -2.930 -2.602 1.00 0.00 C ATOM 0 H LEU A 40 -6.748 -6.237 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.327 -3.824 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.814 -5.470 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.918 -3.752 -5.139 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.310 -5.043 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.147 -3.998 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.991 -5.180 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.994 -3.437 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.244 -2.733 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.173 -2.122 -3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.618 -2.991 -2.671 1.00 0.00 H new ATOM 614 N SER A 41 -6.676 -5.860 -6.902 1.00 0.00 N ATOM 615 CA SER A 41 -6.856 -6.038 -8.338 1.00 0.00 C ATOM 616 C SER A 41 -8.338 -6.083 -8.698 1.00 0.00 C ATOM 617 O SER A 41 -8.750 -5.575 -9.742 1.00 0.00 O ATOM 618 CB SER A 41 -6.168 -7.322 -8.804 1.00 0.00 C ATOM 619 OG SER A 41 -4.876 -7.050 -9.318 1.00 0.00 O ATOM 0 H SER A 41 -6.242 -6.653 -6.430 1.00 0.00 H new ATOM 0 HA SER A 41 -6.402 -5.186 -8.845 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.092 -8.021 -7.971 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.774 -7.805 -9.571 1.00 0.00 H new ATOM 0 HG SER A 41 -4.456 -7.887 -9.608 1.00 0.00 H new ATOM 625 N ASP A 42 -9.134 -6.693 -7.827 1.00 0.00 N ATOM 626 CA ASP A 42 -10.570 -6.803 -8.051 1.00 0.00 C ATOM 627 C ASP A 42 -11.276 -5.492 -7.714 1.00 0.00 C ATOM 628 O ASP A 42 -10.778 -4.697 -6.917 1.00 0.00 O ATOM 629 CB ASP A 42 -11.154 -7.941 -7.212 1.00 0.00 C ATOM 630 CG ASP A 42 -12.451 -8.477 -7.784 1.00 0.00 C ATOM 631 OD1 ASP A 42 -13.494 -7.812 -7.614 1.00 0.00 O ATOM 632 OD2 ASP A 42 -12.424 -9.562 -8.402 1.00 0.00 O ATOM 0 H ASP A 42 -8.809 -7.119 -6.959 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.731 -7.021 -9.107 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.427 -8.751 -7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.328 -7.587 -6.196 1.00 0.00 H new ATOM 637 N GLU A 43 -12.435 -5.276 -8.326 1.00 0.00 N ATOM 638 CA GLU A 43 -13.207 -4.060 -8.092 1.00 0.00 C ATOM 639 C GLU A 43 -14.634 -4.396 -7.669 1.00 0.00 C ATOM 640 O GLU A 43 -15.252 -3.663 -6.897 1.00 0.00 O ATOM 641 CB GLU A 43 -13.227 -3.191 -9.351 1.00 0.00 C ATOM 642 CG GLU A 43 -11.983 -2.334 -9.519 1.00 0.00 C ATOM 643 CD GLU A 43 -12.243 -1.083 -10.333 1.00 0.00 C ATOM 644 OE1 GLU A 43 -12.543 -1.211 -11.539 1.00 0.00 O ATOM 645 OE2 GLU A 43 -12.148 0.026 -9.766 1.00 0.00 O ATOM 0 H GLU A 43 -12.861 -5.926 -8.987 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.728 -3.505 -7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.336 -3.834 -10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.103 -2.543 -9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.605 -2.052 -8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.204 -2.922 -10.003 1.00 0.00 H new ATOM 652 N ASN A 44 -15.151 -5.507 -8.181 1.00 0.00 N ATOM 653 CA ASN A 44 -16.507 -5.940 -7.859 1.00 0.00 C ATOM 654 C ASN A 44 -16.517 -6.799 -6.599 1.00 0.00 C ATOM 655 O ASN A 44 -17.109 -7.879 -6.576 1.00 0.00 O ATOM 656 CB ASN A 44 -17.106 -6.722 -9.028 1.00 0.00 C ATOM 657 CG ASN A 44 -17.494 -5.823 -10.187 1.00 0.00 C ATOM 658 OD1 ASN A 44 -17.422 -4.598 -10.088 1.00 0.00 O ATOM 659 ND2 ASN A 44 -17.907 -6.430 -11.293 1.00 0.00 N ATOM 0 H ASN A 44 -14.652 -6.125 -8.821 1.00 0.00 H new ATOM 0 HA ASN A 44 -17.113 -5.052 -7.677 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -16.385 -7.464 -9.373 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -17.985 -7.267 -8.684 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -18.181 -5.878 -12.106 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -17.951 -7.448 -11.330 1.00 0.00 H new ATOM 666 N SER A 45 -15.860 -6.311 -5.551 1.00 0.00 N ATOM 667 CA SER A 45 -15.791 -7.037 -4.288 1.00 0.00 C ATOM 668 C SER A 45 -16.091 -6.110 -3.112 1.00 0.00 C ATOM 669 O SER A 45 -16.484 -4.958 -3.300 1.00 0.00 O ATOM 670 CB SER A 45 -14.410 -7.669 -4.113 1.00 0.00 C ATOM 671 OG SER A 45 -13.441 -6.693 -3.771 1.00 0.00 O ATOM 0 H SER A 45 -15.369 -5.417 -5.552 1.00 0.00 H new ATOM 0 HA SER A 45 -16.543 -7.826 -4.309 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.452 -8.432 -3.336 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.116 -8.170 -5.036 1.00 0.00 H new ATOM 0 HG SER A 45 -12.567 -7.123 -3.663 1.00 0.00 H new ATOM 677 N LEU A 46 -15.902 -6.622 -1.901 1.00 0.00 N ATOM 678 CA LEU A 46 -16.153 -5.841 -0.695 1.00 0.00 C ATOM 679 C LEU A 46 -14.850 -5.291 -0.122 1.00 0.00 C ATOM 680 O LEU A 46 -14.773 -4.124 0.260 1.00 0.00 O ATOM 681 CB LEU A 46 -16.861 -6.700 0.355 1.00 0.00 C ATOM 682 CG LEU A 46 -16.556 -6.364 1.815 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.230 -6.977 2.238 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.540 -4.857 2.023 1.00 0.00 C ATOM 0 H LEU A 46 -15.576 -7.573 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.795 -5.002 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -17.937 -6.614 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.596 -7.743 0.180 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.344 -6.788 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -15.030 -6.727 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.278 -8.060 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.430 -6.583 1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.321 -4.636 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.773 -4.410 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.514 -4.443 1.761 1.00 0.00 H new ATOM 696 N GLU A 47 -13.828 -6.140 -0.068 1.00 0.00 N ATOM 697 CA GLU A 47 -12.528 -5.738 0.457 1.00 0.00 C ATOM 698 C GLU A 47 -11.980 -4.539 -0.311 1.00 0.00 C ATOM 699 O GLU A 47 -11.281 -3.695 0.251 1.00 0.00 O ATOM 700 CB GLU A 47 -11.540 -6.903 0.379 1.00 0.00 C ATOM 701 CG GLU A 47 -11.675 -7.893 1.524 1.00 0.00 C ATOM 702 CD GLU A 47 -10.334 -8.394 2.024 1.00 0.00 C ATOM 703 OE1 GLU A 47 -9.625 -7.616 2.699 1.00 0.00 O ATOM 704 OE2 GLU A 47 -9.992 -9.561 1.740 1.00 0.00 O ATOM 0 H GLU A 47 -13.875 -7.110 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.658 -5.451 1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.686 -7.429 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.524 -6.507 0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.212 -7.420 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.276 -8.741 1.197 1.00 0.00 H new ATOM 711 N TYR A 48 -12.300 -4.471 -1.599 1.00 0.00 N ATOM 712 CA TYR A 48 -11.837 -3.377 -2.445 1.00 0.00 C ATOM 713 C TYR A 48 -12.720 -2.145 -2.274 1.00 0.00 C ATOM 714 O TYR A 48 -12.273 -1.014 -2.468 1.00 0.00 O ATOM 715 CB TYR A 48 -11.825 -3.810 -3.912 1.00 0.00 C ATOM 716 CG TYR A 48 -11.388 -2.718 -4.862 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.303 -1.798 -5.360 1.00 0.00 C ATOM 718 CD2 TYR A 48 -10.063 -2.607 -5.262 1.00 0.00 C ATOM 719 CE1 TYR A 48 -11.909 -0.799 -6.229 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.659 -1.610 -6.130 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.587 -0.709 -6.610 1.00 0.00 C ATOM 722 OH TYR A 48 -10.189 0.285 -7.475 1.00 0.00 O ATOM 0 H TYR A 48 -12.878 -5.160 -2.080 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.823 -3.120 -2.140 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.159 -4.666 -4.024 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.824 -4.145 -4.191 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.339 -1.865 -5.063 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.335 -3.312 -4.888 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.633 -0.092 -6.608 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.624 -1.537 -6.430 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.770 0.284 -8.264 1.00 0.00 H new ATOM 732 N LYS A 49 -13.977 -2.372 -1.907 1.00 0.00 N ATOM 733 CA LYS A 49 -14.924 -1.283 -1.707 1.00 0.00 C ATOM 734 C LYS A 49 -14.480 -0.378 -0.561 1.00 0.00 C ATOM 735 O LYS A 49 -14.892 0.779 -0.475 1.00 0.00 O ATOM 736 CB LYS A 49 -16.320 -1.839 -1.418 1.00 0.00 C ATOM 737 CG LYS A 49 -17.300 -1.648 -2.564 1.00 0.00 C ATOM 738 CD LYS A 49 -18.293 -2.795 -2.644 1.00 0.00 C ATOM 739 CE LYS A 49 -18.535 -3.224 -4.083 1.00 0.00 C ATOM 740 NZ LYS A 49 -19.515 -2.337 -4.769 1.00 0.00 N ATOM 0 H LYS A 49 -14.363 -3.302 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.957 -0.692 -2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.239 -2.903 -1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.718 -1.354 -0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.837 -0.709 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.753 -1.573 -3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.919 -3.642 -2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.237 -2.493 -2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.591 -3.213 -4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.901 -4.251 -4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.653 -2.663 -5.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.423 -2.367 -4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.154 -1.362 -4.776 1.00 0.00 H new ATOM 754 N TYR A 50 -13.636 -0.913 0.313 1.00 0.00 N ATOM 755 CA TYR A 50 -13.135 -0.153 1.454 1.00 0.00 C ATOM 756 C TYR A 50 -11.892 0.645 1.075 1.00 0.00 C ATOM 757 O TYR A 50 -11.891 1.875 1.122 1.00 0.00 O ATOM 758 CB TYR A 50 -12.816 -1.093 2.618 1.00 0.00 C ATOM 759 CG TYR A 50 -14.038 -1.533 3.394 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.205 -1.906 2.736 1.00 0.00 C ATOM 761 CD2 TYR A 50 -14.027 -1.574 4.782 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.324 -2.308 3.440 1.00 0.00 C ATOM 763 CE2 TYR A 50 -15.140 -1.977 5.494 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.286 -2.342 4.818 1.00 0.00 C ATOM 765 OH TYR A 50 -17.398 -2.743 5.525 1.00 0.00 O ATOM 0 H TYR A 50 -13.284 -1.869 0.255 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.912 0.546 1.762 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.304 -1.975 2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.125 -0.595 3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.237 -1.881 1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.133 -1.286 5.314 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.223 -2.594 2.914 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -15.113 -2.006 6.573 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.204 -2.711 6.485 1.00 0.00 H new ATOM 775 N TYR A 51 -10.834 -0.066 0.696 1.00 0.00 N ATOM 776 CA TYR A 51 -9.583 0.574 0.310 1.00 0.00 C ATOM 777 C TYR A 51 -9.846 1.847 -0.491 1.00 0.00 C ATOM 778 O TYR A 51 -9.106 2.825 -0.386 1.00 0.00 O ATOM 779 CB TYR A 51 -8.725 -0.389 -0.511 1.00 0.00 C ATOM 780 CG TYR A 51 -7.507 0.260 -1.129 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.423 0.633 -0.346 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.442 0.500 -2.495 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.308 1.228 -0.905 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.331 1.092 -3.065 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.266 1.454 -2.266 1.00 0.00 C ATOM 786 OH TYR A 51 -4.159 2.045 -2.828 1.00 0.00 O ATOM 0 H TYR A 51 -10.819 -1.085 0.648 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.047 0.843 1.220 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.403 -1.211 0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.336 -0.822 -1.303 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.452 0.455 0.719 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.274 0.219 -3.123 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.475 1.514 -0.281 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.297 1.270 -4.130 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.290 2.131 -3.795 1.00 0.00 H new ATOM 796 N LYS A 52 -10.907 1.826 -1.289 1.00 0.00 N ATOM 797 CA LYS A 52 -11.272 2.977 -2.108 1.00 0.00 C ATOM 798 C LYS A 52 -12.201 3.914 -1.344 1.00 0.00 C ATOM 799 O LYS A 52 -12.125 5.135 -1.491 1.00 0.00 O ATOM 800 CB LYS A 52 -11.946 2.514 -3.402 1.00 0.00 C ATOM 801 CG LYS A 52 -10.979 1.924 -4.414 1.00 0.00 C ATOM 802 CD LYS A 52 -10.111 2.999 -5.047 1.00 0.00 C ATOM 803 CE LYS A 52 -10.826 3.687 -6.199 1.00 0.00 C ATOM 804 NZ LYS A 52 -10.826 5.169 -6.047 1.00 0.00 N ATOM 0 H LYS A 52 -11.530 1.025 -1.387 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.360 3.521 -2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.705 1.770 -3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.462 3.360 -3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.345 1.184 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.537 1.402 -5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.838 3.738 -4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.184 2.554 -5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.343 3.418 -7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.854 3.328 -6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.323 5.601 -6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.309 5.427 -5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.846 5.515 -6.019 1.00 0.00 H new ATOM 818 N LEU A 53 -13.076 3.337 -0.529 1.00 0.00 N ATOM 819 CA LEU A 53 -14.020 4.121 0.260 1.00 0.00 C ATOM 820 C LEU A 53 -13.329 4.757 1.461 1.00 0.00 C ATOM 821 O LEU A 53 -13.146 5.974 1.515 1.00 0.00 O ATOM 822 CB LEU A 53 -15.178 3.240 0.731 1.00 0.00 C ATOM 823 CG LEU A 53 -16.058 3.823 1.838 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.570 3.366 3.204 1.00 0.00 C ATOM 825 CD2 LEU A 53 -16.081 5.341 1.757 1.00 0.00 C ATOM 0 H LEU A 53 -13.152 2.328 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.412 4.916 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.810 3.016 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.768 2.293 1.081 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.075 3.457 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.208 3.791 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.608 2.278 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.544 3.701 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.712 5.738 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.068 5.727 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.480 5.648 0.790 1.00 0.00 H new ATOM 837 N LYS A 54 -12.945 3.927 2.425 1.00 0.00 N ATOM 838 CA LYS A 54 -12.270 4.406 3.625 1.00 0.00 C ATOM 839 C LYS A 54 -11.210 5.446 3.274 1.00 0.00 C ATOM 840 O LYS A 54 -10.986 6.396 4.027 1.00 0.00 O ATOM 841 CB LYS A 54 -11.624 3.238 4.373 1.00 0.00 C ATOM 842 CG LYS A 54 -11.624 3.408 5.882 1.00 0.00 C ATOM 843 CD LYS A 54 -12.962 3.016 6.487 1.00 0.00 C ATOM 844 CE LYS A 54 -13.018 3.339 7.973 1.00 0.00 C ATOM 845 NZ LYS A 54 -14.115 2.603 8.660 1.00 0.00 N ATOM 0 H LYS A 54 -13.090 2.918 2.398 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.015 4.874 4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.152 2.319 4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.596 3.121 4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.834 2.797 6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.400 4.445 6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.765 3.541 5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.131 1.949 6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.065 3.085 8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.161 4.411 8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.356 3.088 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.952 2.573 8.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.804 1.633 8.869 1.00 0.00 H new ATOM 859 N LEU A 55 -10.565 5.263 2.129 1.00 0.00 N ATOM 860 CA LEU A 55 -9.529 6.187 1.678 1.00 0.00 C ATOM 861 C LEU A 55 -10.125 7.553 1.350 1.00 0.00 C ATOM 862 O LEU A 55 -9.603 8.586 1.771 1.00 0.00 O ATOM 863 CB LEU A 55 -8.813 5.622 0.450 1.00 0.00 C ATOM 864 CG LEU A 55 -7.660 6.462 -0.100 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.546 6.579 0.929 1.00 0.00 C ATOM 866 CD2 LEU A 55 -7.131 5.860 -1.394 1.00 0.00 C ATOM 0 H LEU A 55 -10.740 4.484 1.495 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.808 6.309 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.428 4.634 0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.548 5.486 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.036 7.463 -0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.734 7.180 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.932 7.056 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.173 5.585 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.311 6.471 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.772 4.848 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.930 5.829 -2.134 1.00 0.00 H new ATOM 878 N ALA A 56 -11.219 7.550 0.596 1.00 0.00 N ATOM 879 CA ALA A 56 -11.887 8.788 0.216 1.00 0.00 C ATOM 880 C ALA A 56 -12.300 9.590 1.445 1.00 0.00 C ATOM 881 O ALA A 56 -11.886 10.735 1.617 1.00 0.00 O ATOM 882 CB ALA A 56 -13.100 8.487 -0.653 1.00 0.00 C ATOM 0 H ALA A 56 -11.661 6.704 0.236 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.183 9.391 -0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.590 9.421 -0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.781 7.963 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.799 7.861 -0.098 1.00 0.00 H new ATOM 888 N GLU A 57 -13.121 8.980 2.295 1.00 0.00 N ATOM 889 CA GLU A 57 -13.589 9.639 3.509 1.00 0.00 C ATOM 890 C GLU A 57 -12.416 10.054 4.392 1.00 0.00 C ATOM 891 O GLU A 57 -12.466 11.083 5.065 1.00 0.00 O ATOM 892 CB GLU A 57 -14.528 8.716 4.288 1.00 0.00 C ATOM 893 CG GLU A 57 -13.832 7.500 4.879 1.00 0.00 C ATOM 894 CD GLU A 57 -14.643 6.839 5.975 1.00 0.00 C ATOM 895 OE1 GLU A 57 -14.911 7.503 6.999 1.00 0.00 O ATOM 896 OE2 GLU A 57 -15.013 5.657 5.810 1.00 0.00 O ATOM 0 H GLU A 57 -13.475 8.032 2.165 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.134 10.536 3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.997 9.283 5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.327 8.381 3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.640 6.776 4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.863 7.799 5.279 1.00 0.00 H new ATOM 903 N MET A 58 -11.362 9.244 4.384 1.00 0.00 N ATOM 904 CA MET A 58 -10.177 9.526 5.185 1.00 0.00 C ATOM 905 C MET A 58 -9.351 10.645 4.556 1.00 0.00 C ATOM 906 O MET A 58 -8.699 11.415 5.259 1.00 0.00 O ATOM 907 CB MET A 58 -9.322 8.265 5.331 1.00 0.00 C ATOM 908 CG MET A 58 -9.866 7.277 6.349 1.00 0.00 C ATOM 909 SD MET A 58 -9.563 7.794 8.049 1.00 0.00 S ATOM 910 CE MET A 58 -7.841 7.337 8.240 1.00 0.00 C ATOM 0 H MET A 58 -11.305 8.388 3.832 1.00 0.00 H new ATOM 0 HA MET A 58 -10.504 9.850 6.173 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.248 7.772 4.362 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.311 8.553 5.620 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.938 7.157 6.196 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.409 6.302 6.183 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.362 8.013 8.949 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.775 6.315 8.612 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.337 7.405 7.276 1.00 0.00 H new ATOM 920 N GLN A 59 -9.384 10.724 3.230 1.00 0.00 N ATOM 921 CA GLN A 59 -8.637 11.749 2.508 1.00 0.00 C ATOM 922 C GLN A 59 -9.309 13.111 2.646 1.00 0.00 C ATOM 923 O GLN A 59 -8.662 14.101 2.987 1.00 0.00 O ATOM 924 CB GLN A 59 -8.515 11.374 1.030 1.00 0.00 C ATOM 925 CG GLN A 59 -7.239 10.615 0.699 1.00 0.00 C ATOM 926 CD GLN A 59 -6.653 11.018 -0.640 1.00 0.00 C ATOM 927 OE1 GLN A 59 -6.615 12.200 -0.985 1.00 0.00 O ATOM 928 NE2 GLN A 59 -6.189 10.036 -1.403 1.00 0.00 N ATOM 0 H GLN A 59 -9.919 10.092 2.634 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.640 11.811 2.943 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.374 10.766 0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.554 12.282 0.429 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.502 10.792 1.482 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.448 9.545 0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.240 9.070 -1.078 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.781 10.247 -2.314 1.00 0.00 H new ATOM 937 N ARG A 60 -10.610 13.153 2.377 1.00 0.00 N ATOM 938 CA ARG A 60 -11.368 14.395 2.469 1.00 0.00 C ATOM 939 C ARG A 60 -11.271 14.989 3.871 1.00 0.00 C ATOM 940 O ARG A 60 -11.337 16.205 4.046 1.00 0.00 O ATOM 941 CB ARG A 60 -12.835 14.149 2.109 1.00 0.00 C ATOM 942 CG ARG A 60 -13.614 13.420 3.191 1.00 0.00 C ATOM 943 CD ARG A 60 -15.102 13.382 2.877 1.00 0.00 C ATOM 944 NE ARG A 60 -15.847 14.384 3.634 1.00 0.00 N ATOM 945 CZ ARG A 60 -17.168 14.513 3.580 1.00 0.00 C ATOM 946 NH1 ARG A 60 -17.885 13.708 2.808 1.00 0.00 N ATOM 947 NH2 ARG A 60 -17.774 15.449 4.300 1.00 0.00 N ATOM 0 H ARG A 60 -11.160 12.342 2.094 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.940 15.106 1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.317 15.106 1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.882 13.570 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.236 12.402 3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.456 13.914 4.150 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -15.252 13.548 1.810 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.495 12.391 3.103 1.00 0.00 H new ATOM 0 HE ARG A 60 -15.325 15.019 4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -17.422 12.987 2.254 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -18.899 13.809 2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -17.225 16.070 4.895 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -18.788 15.548 4.258 1.00 0.00 H new ATOM 961 N SER A 61 -11.114 14.121 4.866 1.00 0.00 N ATOM 962 CA SER A 61 -11.013 14.559 6.253 1.00 0.00 C ATOM 963 C SER A 61 -9.558 14.806 6.639 1.00 0.00 C ATOM 964 O SER A 61 -8.644 14.211 6.071 1.00 0.00 O ATOM 965 CB SER A 61 -11.631 13.516 7.186 1.00 0.00 C ATOM 966 OG SER A 61 -12.991 13.284 6.863 1.00 0.00 O ATOM 0 H SER A 61 -11.054 13.111 4.737 1.00 0.00 H new ATOM 0 HA SER A 61 -11.562 15.495 6.354 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.073 12.583 7.114 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.552 13.855 8.219 1.00 0.00 H new ATOM 0 HG SER A 61 -13.054 12.539 6.229 1.00 0.00 H new ATOM 972 N GLY A 62 -9.351 15.690 7.612 1.00 0.00 N ATOM 973 CA GLY A 62 -8.006 16.001 8.058 1.00 0.00 C ATOM 974 C GLY A 62 -7.372 17.117 7.253 1.00 0.00 C ATOM 975 O GLY A 62 -8.056 17.947 6.654 1.00 0.00 O ATOM 0 H GLY A 62 -10.091 16.196 8.099 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.032 16.286 9.110 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.386 15.107 7.985 1.00 0.00 H new ATOM 979 N PRO A 63 -6.031 17.149 7.232 1.00 0.00 N ATOM 980 CA PRO A 63 -5.273 18.168 6.498 1.00 0.00 C ATOM 981 C PRO A 63 -5.391 18.002 4.988 1.00 0.00 C ATOM 982 O PRO A 63 -4.865 17.046 4.417 1.00 0.00 O ATOM 983 CB PRO A 63 -3.831 17.934 6.952 1.00 0.00 C ATOM 984 CG PRO A 63 -3.790 16.502 7.360 1.00 0.00 C ATOM 985 CD PRO A 63 -5.150 16.192 7.923 1.00 0.00 C ATOM 0 HA PRO A 63 -5.639 19.174 6.702 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.125 18.137 6.147 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.566 18.590 7.781 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.565 15.860 6.508 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.012 16.330 8.103 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.442 15.161 7.724 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.178 16.328 9.004 1.00 0.00 H new ATOM 993 N SER A 64 -6.083 18.937 4.345 1.00 0.00 N ATOM 994 CA SER A 64 -6.271 18.891 2.900 1.00 0.00 C ATOM 995 C SER A 64 -5.892 20.224 2.261 1.00 0.00 C ATOM 996 O SER A 64 -5.688 21.222 2.952 1.00 0.00 O ATOM 997 CB SER A 64 -7.724 18.548 2.565 1.00 0.00 C ATOM 998 OG SER A 64 -7.848 18.111 1.222 1.00 0.00 O ATOM 0 H SER A 64 -6.523 19.736 4.802 1.00 0.00 H new ATOM 0 HA SER A 64 -5.619 18.116 2.497 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.082 17.769 3.239 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.354 19.423 2.726 1.00 0.00 H new ATOM 0 HG SER A 64 -8.785 17.896 1.033 1.00 0.00 H new ATOM 1004 N SER A 65 -5.797 20.231 0.934 1.00 0.00 N ATOM 1005 CA SER A 65 -5.438 21.439 0.200 1.00 0.00 C ATOM 1006 C SER A 65 -5.744 21.281 -1.286 1.00 0.00 C ATOM 1007 O SER A 65 -4.957 20.705 -2.036 1.00 0.00 O ATOM 1008 CB SER A 65 -3.956 21.758 0.397 1.00 0.00 C ATOM 1009 OG SER A 65 -3.785 22.922 1.187 1.00 0.00 O ATOM 0 H SER A 65 -5.964 19.414 0.346 1.00 0.00 H new ATOM 0 HA SER A 65 -6.034 22.264 0.590 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.460 20.914 0.876 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.479 21.900 -0.573 1.00 0.00 H new ATOM 0 HG SER A 65 -4.315 22.841 2.007 1.00 0.00 H new ATOM 1015 N GLY A 66 -6.895 21.798 -1.705 1.00 0.00 N ATOM 1016 CA GLY A 66 -7.286 21.706 -3.100 1.00 0.00 C ATOM 1017 C GLY A 66 -8.725 22.122 -3.328 1.00 0.00 C ATOM 1018 O GLY A 66 -9.406 21.576 -4.197 1.00 0.00 O ATOM 0 H GLY A 66 -7.564 22.279 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.630 22.336 -3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.148 20.682 -3.446 1.00 0.00 H new TER 1022 GLY A 66