USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 652 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 88 SER OG : rot -173:sc= 0.641 USER MOD Set 1.2: A 89 LYS NZ :NH3+ 163:sc= 0.67 (180deg=0) USER MOD Set 2.1: A 17 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 65 LYS NZ :NH3+ -158:sc= 0.0482 (180deg=0.00476) USER MOD Single : A 1 ALA N :NH3+ 172:sc= 1.27 (180deg=1.23) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00357 USER MOD Single : A 9 SER OG : rot 75:sc= 0.813 USER MOD Single : A 10 ASN : amide:sc= 0.22 K(o=0.22,f=-2.3!) USER MOD Single : A 20 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.2!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0604 USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00377) USER MOD Single : A 36 ASN : amide:sc= -0.0166 X(o=-0.017,f=-0.46) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0235 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0448 K(o=-0.045,f=-1.2!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 73:sc= 0.467 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.0872 K(o=0.087,f=-7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 70:sc= 0.788 USER MOD Single : A 76 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.48) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -155:sc= 1.26 (180deg=0.771) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -19:sc= 0.685 USER MOD Single : A 85 THR OG1 : rot -83:sc= 0.0226 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.229 -14.893 -0.820 1.00 -0.26 N ATOM 2 CA ALA A 1 3.952 -14.386 -0.239 1.00 0.04 C ATOM 3 C ALA A 1 4.172 -13.510 0.989 1.00 0.62 C ATOM 4 O ALA A 1 3.647 -13.830 2.044 1.00 -0.50 O ATOM 5 CB ALA A 1 3.031 -15.602 0.069 1.00 -0.10 C ATOM 0 H1 ALA A 1 5.020 -15.588 -1.565 1.00 -0.26 H new ATOM 0 H2 ALA A 1 5.764 -14.100 -1.227 1.00 -0.26 H new ATOM 0 H3 ALA A 1 5.795 -15.345 -0.074 1.00 -0.26 H new ATOM 0 HA ALA A 1 3.467 -13.737 -0.968 1.00 0.04 H new ATOM 0 HB1 ALA A 1 2.092 -15.249 0.495 1.00 -0.10 H new ATOM 0 HB2 ALA A 1 2.829 -16.148 -0.853 1.00 -0.10 H new ATOM 0 HB3 ALA A 1 3.526 -16.263 0.781 1.00 -0.10 H new ATOM 13 N ILE A 2 4.936 -12.396 0.876 1.00 -0.46 N ATOM 14 CA ILE A 2 5.153 -11.478 2.007 1.00 0.04 C ATOM 15 C ILE A 2 3.917 -11.251 2.857 1.00 0.62 C ATOM 16 O ILE A 2 2.816 -11.329 2.334 1.00 -0.50 O ATOM 17 CB ILE A 2 5.686 -10.079 1.557 1.00 -0.01 C ATOM 18 CG1 ILE A 2 4.798 -9.482 0.419 1.00 -0.05 C ATOM 19 CG2 ILE A 2 7.181 -10.147 1.132 1.00 -0.09 C ATOM 20 CD1 ILE A 2 3.700 -8.514 0.915 1.00 -0.09 C ATOM 0 H ILE A 2 5.407 -12.118 0.015 1.00 -0.46 H new ATOM 0 HA ILE A 2 5.906 -11.989 2.608 1.00 0.04 H new ATOM 0 HB ILE A 2 5.624 -9.410 2.415 1.00 -0.01 H new ATOM 0 HG12 ILE A 2 5.439 -8.955 -0.288 1.00 -0.05 H new ATOM 0 HG13 ILE A 2 4.327 -10.300 -0.126 1.00 -0.05 H new ATOM 0 HG21 ILE A 2 7.518 -9.157 0.825 1.00 -0.09 H new ATOM 0 HG22 ILE A 2 7.783 -10.491 1.973 1.00 -0.09 H new ATOM 0 HG23 ILE A 2 7.291 -10.842 0.299 1.00 -0.09 H new ATOM 0 HD11 ILE A 2 3.129 -8.144 0.063 1.00 -0.09 H new ATOM 0 HD12 ILE A 2 3.033 -9.040 1.598 1.00 -0.09 H new ATOM 0 HD13 ILE A 2 4.162 -7.674 1.434 1.00 -0.09 H new ATOM 32 N THR A 3 4.091 -10.966 4.174 1.00 -0.46 N ATOM 33 CA THR A 3 2.948 -10.813 5.080 1.00 0.04 C ATOM 34 C THR A 3 2.637 -9.351 5.320 1.00 0.62 C ATOM 35 O THR A 3 3.434 -8.490 4.980 1.00 -0.50 O ATOM 36 CB THR A 3 3.158 -11.558 6.432 1.00 0.17 C ATOM 37 OG1 THR A 3 1.985 -11.437 7.260 1.00 -0.55 O ATOM 38 CG2 THR A 3 4.355 -11.021 7.263 1.00 -0.19 C ATOM 0 H THR A 3 5.002 -10.841 4.616 1.00 -0.46 H new ATOM 0 HA THR A 3 2.093 -11.275 4.587 1.00 0.04 H new ATOM 0 HB THR A 3 3.361 -12.593 6.156 1.00 0.17 H new ATOM 0 HG1 THR A 3 2.131 -11.911 8.105 1.00 -0.55 H new ATOM 0 HG21 THR A 3 4.438 -11.588 8.190 1.00 -0.19 H new ATOM 0 HG22 THR A 3 5.275 -11.129 6.688 1.00 -0.19 H new ATOM 0 HG23 THR A 3 4.194 -9.968 7.495 1.00 -0.19 H new ATOM 46 N CYS A 4 1.461 -9.049 5.917 1.00 -0.46 N ATOM 47 CA CYS A 4 1.082 -7.658 6.157 1.00 0.04 C ATOM 48 C CYS A 4 2.071 -6.928 7.040 1.00 0.62 C ATOM 49 O CYS A 4 2.331 -5.760 6.793 1.00 -0.50 O ATOM 50 CB CYS A 4 -0.325 -7.578 6.812 1.00 -0.10 C ATOM 51 SG CYS A 4 -1.608 -8.449 5.842 1.00 0.82 S ATOM 0 H CYS A 4 0.779 -9.740 6.231 1.00 -0.46 H new ATOM 0 HA CYS A 4 1.073 -7.173 5.181 1.00 0.04 H new ATOM 0 HB2 CYS A 4 -0.280 -8.006 7.813 1.00 -0.10 H new ATOM 0 HB3 CYS A 4 -0.609 -6.532 6.925 1.00 -0.10 H new ATOM 56 N GLY A 5 2.634 -7.584 8.077 1.00 -0.46 N ATOM 57 CA GLY A 5 3.559 -6.876 8.963 1.00 0.04 C ATOM 58 C GLY A 5 4.633 -6.120 8.208 1.00 0.62 C ATOM 59 O GLY A 5 4.878 -4.961 8.510 1.00 -0.50 O ATOM 0 H GLY A 5 2.469 -8.563 8.309 1.00 -0.46 H new ATOM 0 HA2 GLY A 5 2.998 -6.178 9.583 1.00 0.04 H new ATOM 0 HA3 GLY A 5 4.030 -7.592 9.636 1.00 0.04 H new ATOM 63 N GLN A 6 5.288 -6.768 7.217 1.00 -0.46 N ATOM 64 CA GLN A 6 6.325 -6.083 6.440 1.00 0.04 C ATOM 65 C GLN A 6 5.712 -4.939 5.664 1.00 0.62 C ATOM 66 O GLN A 6 6.284 -3.861 5.614 1.00 -0.50 O ATOM 67 CB GLN A 6 6.984 -7.029 5.393 1.00 -0.10 C ATOM 68 CG GLN A 6 7.801 -8.175 6.050 1.00 -0.10 C ATOM 69 CD GLN A 6 8.320 -9.125 4.993 1.00 0.68 C ATOM 70 OE1 GLN A 6 8.848 -8.659 3.991 1.00 -0.47 O ATOM 71 NE2 GLN A 6 8.198 -10.458 5.162 1.00 -0.87 N ATOM 0 H GLN A 6 5.118 -7.737 6.948 1.00 -0.46 H new ATOM 0 HA GLN A 6 7.074 -5.737 7.152 1.00 0.04 H new ATOM 0 HB2 GLN A 6 6.208 -7.459 4.759 1.00 -0.10 H new ATOM 0 HB3 GLN A 6 7.639 -6.447 4.745 1.00 -0.10 H new ATOM 0 HG2 GLN A 6 8.635 -7.758 6.615 1.00 -0.10 H new ATOM 0 HG3 GLN A 6 7.175 -8.717 6.759 1.00 -0.10 H new ATOM 0 HE21 GLN A 6 7.755 -10.827 6.004 1.00 -0.87 H new ATOM 0 HE22 GLN A 6 8.549 -11.097 4.448 1.00 -0.87 H new ATOM 80 N VAL A 7 4.536 -5.183 5.043 1.00 -0.46 N ATOM 81 CA VAL A 7 3.920 -4.162 4.196 1.00 0.04 C ATOM 82 C VAL A 7 3.716 -2.938 5.054 1.00 0.62 C ATOM 83 O VAL A 7 4.237 -1.880 4.735 1.00 -0.50 O ATOM 84 CB VAL A 7 2.578 -4.688 3.600 1.00 -0.01 C ATOM 85 CG1 VAL A 7 1.752 -3.600 2.869 1.00 -0.09 C ATOM 86 CG2 VAL A 7 2.838 -5.887 2.649 1.00 -0.09 C ATOM 0 H VAL A 7 4.014 -6.056 5.115 1.00 -0.46 H new ATOM 0 HA VAL A 7 4.557 -3.914 3.347 1.00 0.04 H new ATOM 0 HB VAL A 7 1.979 -5.012 4.451 1.00 -0.01 H new ATOM 0 HG11 VAL A 7 0.833 -4.040 2.481 1.00 -0.09 H new ATOM 0 HG12 VAL A 7 1.505 -2.800 3.567 1.00 -0.09 H new ATOM 0 HG13 VAL A 7 2.336 -3.193 2.043 1.00 -0.09 H new ATOM 0 HG21 VAL A 7 1.891 -6.241 2.242 1.00 -0.09 H new ATOM 0 HG22 VAL A 7 3.487 -5.570 1.833 1.00 -0.09 H new ATOM 0 HG23 VAL A 7 3.319 -6.693 3.203 1.00 -0.09 H new ATOM 96 N THR A 8 2.967 -3.099 6.167 1.00 -0.46 N ATOM 97 CA THR A 8 2.690 -1.969 7.047 1.00 0.04 C ATOM 98 C THR A 8 3.979 -1.354 7.555 1.00 0.62 C ATOM 99 O THR A 8 4.112 -0.139 7.524 1.00 -0.50 O ATOM 100 CB THR A 8 1.853 -2.483 8.252 1.00 0.17 C ATOM 101 OG1 THR A 8 0.772 -3.278 7.728 1.00 -0.55 O ATOM 102 CG2 THR A 8 1.295 -1.316 9.107 1.00 -0.19 C ATOM 0 H THR A 8 2.556 -3.984 6.463 1.00 -0.46 H new ATOM 0 HA THR A 8 2.143 -1.206 6.494 1.00 0.04 H new ATOM 0 HB THR A 8 2.491 -3.076 8.907 1.00 0.17 H new ATOM 0 HG1 THR A 8 0.227 -3.618 8.468 1.00 -0.55 H new ATOM 0 HG21 THR A 8 0.716 -1.718 9.938 1.00 -0.19 H new ATOM 0 HG22 THR A 8 2.122 -0.721 9.495 1.00 -0.19 H new ATOM 0 HG23 THR A 8 0.654 -0.687 8.490 1.00 -0.19 H new ATOM 110 N SER A 9 4.937 -2.182 8.035 1.00 -0.46 N ATOM 111 CA SER A 9 6.148 -1.628 8.645 1.00 0.04 C ATOM 112 C SER A 9 6.860 -0.745 7.647 1.00 0.62 C ATOM 113 O SER A 9 7.181 0.392 7.959 1.00 -0.50 O ATOM 114 CB SER A 9 7.135 -2.724 9.135 1.00 0.02 C ATOM 115 OG SER A 9 6.587 -3.502 10.213 1.00 -0.55 O ATOM 0 H SER A 9 4.891 -3.201 8.010 1.00 -0.46 H new ATOM 0 HA SER A 9 5.828 -1.057 9.517 1.00 0.04 H new ATOM 0 HB2 SER A 9 7.386 -3.383 8.304 1.00 0.02 H new ATOM 0 HB3 SER A 9 8.063 -2.255 9.462 1.00 0.02 H new ATOM 0 HG SER A 9 5.921 -4.128 9.859 1.00 -0.55 H new ATOM 121 N ASN A 10 7.103 -1.261 6.424 1.00 -0.46 N ATOM 122 CA ASN A 10 7.768 -0.442 5.413 1.00 0.04 C ATOM 123 C ASN A 10 7.080 0.894 5.238 1.00 0.62 C ATOM 124 O ASN A 10 7.764 1.904 5.181 1.00 -0.50 O ATOM 125 CB ASN A 10 7.764 -1.165 4.045 1.00 -0.09 C ATOM 126 CG ASN A 10 8.780 -2.280 4.030 1.00 0.68 C ATOM 127 OD1 ASN A 10 8.962 -2.946 5.039 1.00 -0.47 O ATOM 128 ND2 ASN A 10 9.468 -2.512 2.897 1.00 -0.87 N ATOM 0 H ASN A 10 6.856 -2.205 6.128 1.00 -0.46 H new ATOM 0 HA ASN A 10 8.789 -0.280 5.758 1.00 0.04 H new ATOM 0 HB2 ASN A 10 6.771 -1.568 3.843 1.00 -0.09 H new ATOM 0 HB3 ASN A 10 7.986 -0.453 3.251 1.00 -0.09 H new ATOM 0 HD21 ASN A 10 10.162 -3.259 2.865 1.00 -0.87 H new ATOM 0 HD22 ASN A 10 9.296 -1.941 2.070 1.00 -0.87 H new ATOM 135 N LEU A 11 5.730 0.908 5.145 1.00 -0.46 N ATOM 136 CA LEU A 11 5.002 2.159 4.911 1.00 0.04 C ATOM 137 C LEU A 11 4.530 2.806 6.191 1.00 0.62 C ATOM 138 O LEU A 11 3.553 3.536 6.165 1.00 -0.50 O ATOM 139 CB LEU A 11 3.984 1.998 3.739 1.00 -0.06 C ATOM 140 CG LEU A 11 2.776 1.035 3.942 1.00 -0.01 C ATOM 141 CD1 LEU A 11 1.555 1.625 4.697 1.00 -0.11 C ATOM 142 CD2 LEU A 11 2.294 0.465 2.573 1.00 -0.11 C ATOM 0 H LEU A 11 5.140 0.080 5.228 1.00 -0.46 H new ATOM 0 HA LEU A 11 5.682 2.925 4.539 1.00 0.04 H new ATOM 0 HB2 LEU A 11 3.587 2.986 3.504 1.00 -0.06 H new ATOM 0 HB3 LEU A 11 4.536 1.660 2.862 1.00 -0.06 H new ATOM 0 HG LEU A 11 3.173 0.252 4.588 1.00 -0.01 H new ATOM 0 HD11 LEU A 11 0.777 0.866 4.779 1.00 -0.11 H new ATOM 0 HD12 LEU A 11 1.861 1.940 5.694 1.00 -0.11 H new ATOM 0 HD13 LEU A 11 1.168 2.484 4.148 1.00 -0.11 H new ATOM 0 HD21 LEU A 11 1.450 -0.205 2.735 1.00 -0.11 H new ATOM 0 HD22 LEU A 11 1.986 1.286 1.925 1.00 -0.11 H new ATOM 0 HD23 LEU A 11 3.108 -0.084 2.101 1.00 -0.11 H new ATOM 154 N ALA A 12 5.235 2.599 7.327 1.00 -0.46 N ATOM 155 CA ALA A 12 4.791 3.201 8.578 1.00 0.04 C ATOM 156 C ALA A 12 4.613 4.703 8.465 1.00 0.62 C ATOM 157 O ALA A 12 3.574 5.162 8.912 1.00 -0.50 O ATOM 158 CB ALA A 12 5.703 2.867 9.791 1.00 -0.10 C ATOM 0 H ALA A 12 6.084 2.037 7.392 1.00 -0.46 H new ATOM 0 HA ALA A 12 3.819 2.746 8.769 1.00 0.04 H new ATOM 0 HB1 ALA A 12 5.310 3.349 10.686 1.00 -0.10 H new ATOM 0 HB2 ALA A 12 5.727 1.788 9.942 1.00 -0.10 H new ATOM 0 HB3 ALA A 12 6.713 3.229 9.598 1.00 -0.10 H new ATOM 164 N PRO A 13 5.527 5.535 7.899 1.00 -0.23 N ATOM 165 CA PRO A 13 5.260 6.969 7.890 1.00 0.04 C ATOM 166 C PRO A 13 4.066 7.278 7.014 1.00 0.53 C ATOM 167 O PRO A 13 3.379 8.255 7.272 1.00 -0.50 O ATOM 168 CB PRO A 13 6.584 7.541 7.319 1.00 -0.12 C ATOM 169 CG PRO A 13 7.596 6.367 7.371 1.00 -0.12 C ATOM 170 CD PRO A 13 6.743 5.083 7.229 1.00 -0.01 C ATOM 0 HA PRO A 13 5.005 7.392 8.861 1.00 0.04 H new ATOM 0 HB2 PRO A 13 6.449 7.899 6.298 1.00 -0.12 H new ATOM 0 HB3 PRO A 13 6.934 8.388 7.910 1.00 -0.12 H new ATOM 0 HG2 PRO A 13 8.328 6.443 6.567 1.00 -0.12 H new ATOM 0 HG3 PRO A 13 8.151 6.368 8.309 1.00 -0.12 H new ATOM 0 HD2 PRO A 13 6.571 4.806 6.189 1.00 -0.01 H new ATOM 0 HD3 PRO A 13 7.197 4.221 7.718 1.00 -0.01 H new ATOM 178 N CYS A 14 3.772 6.461 5.973 1.00 -0.46 N ATOM 179 CA CYS A 14 2.590 6.741 5.172 1.00 0.04 C ATOM 180 C CYS A 14 1.355 6.681 6.044 1.00 0.62 C ATOM 181 O CYS A 14 0.440 7.447 5.793 1.00 -0.50 O ATOM 182 CB CYS A 14 2.344 5.753 4.010 1.00 -0.10 C ATOM 183 SG CYS A 14 3.425 5.993 2.566 1.00 0.82 S ATOM 0 H CYS A 14 4.316 5.646 5.690 1.00 -0.46 H new ATOM 0 HA CYS A 14 2.775 7.728 4.748 1.00 0.04 H new ATOM 0 HB2 CYS A 14 2.477 4.737 4.381 1.00 -0.10 H new ATOM 0 HB3 CYS A 14 1.306 5.842 3.689 1.00 -0.10 H new ATOM 188 N LEU A 15 1.275 5.794 7.060 1.00 -0.46 N ATOM 189 CA LEU A 15 0.047 5.722 7.860 1.00 0.04 C ATOM 190 C LEU A 15 -0.258 7.121 8.374 1.00 0.62 C ATOM 191 O LEU A 15 -1.377 7.594 8.236 1.00 -0.50 O ATOM 192 CB LEU A 15 0.151 4.740 9.067 1.00 -0.06 C ATOM 193 CG LEU A 15 0.486 3.248 8.725 1.00 -0.01 C ATOM 194 CD1 LEU A 15 0.857 2.522 10.052 1.00 -0.11 C ATOM 195 CD2 LEU A 15 -0.651 2.460 8.002 1.00 -0.11 C ATOM 0 H LEU A 15 2.015 5.147 7.333 1.00 -0.46 H new ATOM 0 HA LEU A 15 -0.748 5.339 7.220 1.00 0.04 H new ATOM 0 HB2 LEU A 15 0.916 5.115 9.747 1.00 -0.06 H new ATOM 0 HB3 LEU A 15 -0.795 4.762 9.608 1.00 -0.06 H new ATOM 0 HG LEU A 15 1.311 3.270 8.013 1.00 -0.01 H new ATOM 0 HD11 LEU A 15 1.095 1.479 9.842 1.00 -0.11 H new ATOM 0 HD12 LEU A 15 1.722 3.008 10.503 1.00 -0.11 H new ATOM 0 HD13 LEU A 15 0.014 2.570 10.741 1.00 -0.11 H new ATOM 0 HD21 LEU A 15 -0.321 1.439 7.810 1.00 -0.11 H new ATOM 0 HD22 LEU A 15 -1.539 2.441 8.634 1.00 -0.11 H new ATOM 0 HD23 LEU A 15 -0.888 2.949 7.057 1.00 -0.11 H new ATOM 207 N ALA A 16 0.757 7.804 8.952 1.00 -0.46 N ATOM 208 CA ALA A 16 0.562 9.180 9.416 1.00 0.04 C ATOM 209 C ALA A 16 0.128 10.082 8.268 1.00 0.62 C ATOM 210 O ALA A 16 -0.748 10.915 8.455 1.00 -0.50 O ATOM 211 CB ALA A 16 1.868 9.685 10.091 1.00 -0.10 C ATOM 0 H ALA A 16 1.694 7.429 9.102 1.00 -0.46 H new ATOM 0 HA ALA A 16 -0.238 9.206 10.156 1.00 0.04 H new ATOM 0 HB1 ALA A 16 1.726 10.709 10.437 1.00 -0.10 H new ATOM 0 HB2 ALA A 16 2.110 9.045 10.940 1.00 -0.10 H new ATOM 0 HB3 ALA A 16 2.685 9.656 9.370 1.00 -0.10 H new ATOM 217 N TYR A 17 0.711 9.931 7.056 1.00 -0.46 N ATOM 218 CA TYR A 17 0.232 10.701 5.897 1.00 0.04 C ATOM 219 C TYR A 17 -1.220 10.397 5.584 1.00 0.62 C ATOM 220 O TYR A 17 -1.948 11.330 5.279 1.00 -0.50 O ATOM 221 CB TYR A 17 1.115 10.430 4.647 1.00 -0.10 C ATOM 222 CG TYR A 17 0.643 11.141 3.364 1.00 -0.03 C ATOM 223 CD1 TYR A 17 0.720 12.532 3.245 1.00 0.00 C ATOM 224 CD2 TYR A 17 0.156 10.402 2.277 1.00 0.00 C ATOM 225 CE1 TYR A 17 0.380 13.152 2.037 1.00 -0.26 C ATOM 226 CE2 TYR A 17 -0.256 11.022 1.096 1.00 -0.26 C ATOM 227 CZ TYR A 17 -0.165 12.411 0.984 1.00 0.46 C ATOM 228 OH TYR A 17 -0.622 13.058 -0.159 1.00 -0.53 O ATOM 0 H TYR A 17 1.490 9.302 6.863 1.00 -0.46 H new ATOM 0 HA TYR A 17 0.307 11.756 6.159 1.00 0.04 H new ATOM 0 HB2 TYR A 17 2.136 10.742 4.865 1.00 -0.10 H new ATOM 0 HB3 TYR A 17 1.142 9.356 4.463 1.00 -0.10 H new ATOM 0 HD1 TYR A 17 1.042 13.128 4.086 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.098 9.326 2.355 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.540 14.213 1.917 1.00 -0.26 H new ATOM 0 HE2 TYR A 17 -0.641 10.433 0.277 1.00 -0.26 H new ATOM 0 HH TYR A 17 -0.969 12.396 -0.793 1.00 -0.53 H new ATOM 238 N LEU A 18 -1.690 9.131 5.659 1.00 -0.46 N ATOM 239 CA LEU A 18 -3.101 8.865 5.363 1.00 0.04 C ATOM 240 C LEU A 18 -3.991 9.514 6.403 1.00 0.62 C ATOM 241 O LEU A 18 -5.012 10.084 6.048 1.00 -0.50 O ATOM 242 CB LEU A 18 -3.465 7.354 5.272 1.00 -0.06 C ATOM 243 CG LEU A 18 -2.539 6.488 4.371 1.00 -0.01 C ATOM 244 CD1 LEU A 18 -3.134 5.065 4.150 1.00 -0.11 C ATOM 245 CD2 LEU A 18 -2.324 7.204 3.013 1.00 -0.11 C ATOM 0 H LEU A 18 -1.134 8.314 5.912 1.00 -0.46 H new ATOM 0 HA LEU A 18 -3.269 9.294 4.375 1.00 0.04 H new ATOM 0 HB2 LEU A 18 -3.455 6.936 6.279 1.00 -0.06 H new ATOM 0 HB3 LEU A 18 -4.486 7.267 4.901 1.00 -0.06 H new ATOM 0 HG LEU A 18 -1.579 6.367 4.873 1.00 -0.01 H new ATOM 0 HD11 LEU A 18 -2.463 4.485 3.516 1.00 -0.11 H new ATOM 0 HD12 LEU A 18 -3.248 4.565 5.112 1.00 -0.11 H new ATOM 0 HD13 LEU A 18 -4.108 5.149 3.667 1.00 -0.11 H new ATOM 0 HD21 LEU A 18 -1.675 6.598 2.381 1.00 -0.11 H new ATOM 0 HD22 LEU A 18 -3.285 7.343 2.519 1.00 -0.11 H new ATOM 0 HD23 LEU A 18 -1.860 8.175 3.183 1.00 -0.11 H new ATOM 257 N ARG A 19 -3.594 9.447 7.695 1.00 -0.46 N ATOM 258 CA ARG A 19 -4.323 10.180 8.736 1.00 0.04 C ATOM 259 C ARG A 19 -4.383 11.669 8.414 1.00 0.62 C ATOM 260 O ARG A 19 -5.314 12.316 8.869 1.00 -0.50 O ATOM 261 CB ARG A 19 -3.648 9.893 10.114 1.00 -0.08 C ATOM 262 CG ARG A 19 -4.174 10.734 11.312 1.00 -0.10 C ATOM 263 CD ARG A 19 -5.577 10.320 11.842 1.00 -0.23 C ATOM 264 NE ARG A 19 -6.096 11.352 12.763 1.00 -0.32 N ATOM 265 CZ ARG A 19 -7.164 11.211 13.520 1.00 0.76 C ATOM 266 NH1 ARG A 19 -7.870 10.110 13.568 1.00 -0.62 N ATOM 267 NH2 ARG A 19 -7.550 12.217 14.268 1.00 -0.62 N ATOM 0 H ARG A 19 -2.795 8.907 8.028 1.00 -0.46 H new ATOM 0 HA ARG A 19 -5.357 9.839 8.780 1.00 0.04 H new ATOM 0 HB2 ARG A 19 -3.780 8.837 10.350 1.00 -0.08 H new ATOM 0 HB3 ARG A 19 -2.576 10.066 10.016 1.00 -0.08 H new ATOM 0 HG2 ARG A 19 -3.457 10.661 12.130 1.00 -0.10 H new ATOM 0 HG3 ARG A 19 -4.210 11.781 11.013 1.00 -0.10 H new ATOM 0 HD2 ARG A 19 -6.265 10.187 11.007 1.00 -0.23 H new ATOM 0 HD3 ARG A 19 -5.512 9.361 12.357 1.00 -0.23 H new ATOM 0 HE ARG A 19 -5.591 12.237 12.816 1.00 -0.32 H new ATOM 0 HH11 ARG A 19 -7.601 9.306 13.000 1.00 -0.62 H new ATOM 0 HH12 ARG A 19 -8.689 10.056 14.173 1.00 -0.62 H new ATOM 0 HH21 ARG A 19 -7.025 13.091 14.257 1.00 -0.62 H new ATOM 0 HH22 ARG A 19 -8.375 12.125 14.860 1.00 -0.62 H new ATOM 281 N ASN A 20 -3.420 12.229 7.642 1.00 -0.46 N ATOM 282 CA ASN A 20 -3.403 13.662 7.313 1.00 0.04 C ATOM 283 C ASN A 20 -2.754 14.411 8.459 1.00 0.62 C ATOM 284 O ASN A 20 -3.366 15.284 9.054 1.00 -0.50 O ATOM 285 CB ASN A 20 -4.765 14.243 6.830 1.00 -0.09 C ATOM 286 CG ASN A 20 -4.598 15.549 6.081 1.00 0.68 C ATOM 287 OD1 ASN A 20 -3.740 16.342 6.444 1.00 -0.47 O ATOM 288 ND2 ASN A 20 -5.389 15.825 5.024 1.00 -0.87 N ATOM 0 H ASN A 20 -2.646 11.702 7.238 1.00 -0.46 H new ATOM 0 HA ASN A 20 -2.793 13.805 6.421 1.00 0.04 H new ATOM 0 HB2 ASN A 20 -5.259 13.517 6.185 1.00 -0.09 H new ATOM 0 HB3 ASN A 20 -5.416 14.400 7.690 1.00 -0.09 H new ATOM 0 HD21 ASN A 20 -5.275 16.703 4.518 1.00 -0.87 H new ATOM 0 HD22 ASN A 20 -6.101 15.156 4.731 1.00 -0.87 H new ATOM 295 N THR A 21 -1.483 14.055 8.764 1.00 -0.46 N ATOM 296 CA THR A 21 -0.729 14.732 9.824 1.00 0.04 C ATOM 297 C THR A 21 0.747 14.743 9.475 1.00 0.62 C ATOM 298 O THR A 21 1.300 15.804 9.228 1.00 -0.50 O ATOM 299 CB THR A 21 -0.862 14.043 11.216 1.00 0.17 C ATOM 300 OG1 THR A 21 -0.646 12.625 11.093 1.00 -0.55 O ATOM 301 CG2 THR A 21 -2.191 14.356 11.964 1.00 -0.19 C ATOM 0 H THR A 21 -0.971 13.310 8.292 1.00 -0.46 H new ATOM 0 HA THR A 21 -1.148 15.736 9.891 1.00 0.04 H new ATOM 0 HB THR A 21 -0.082 14.474 11.844 1.00 0.17 H new ATOM 0 HG1 THR A 21 -0.731 12.204 11.974 1.00 -0.55 H new ATOM 0 HG21 THR A 21 -2.200 13.837 12.922 1.00 -0.19 H new ATOM 0 HG22 THR A 21 -2.269 15.430 12.132 1.00 -0.19 H new ATOM 0 HG23 THR A 21 -3.035 14.021 11.362 1.00 -0.19 H new ATOM 309 N GLY A 22 1.410 13.561 9.470 1.00 -0.46 N ATOM 310 CA GLY A 22 2.851 13.512 9.222 1.00 0.04 C ATOM 311 C GLY A 22 3.118 13.333 7.741 1.00 0.62 C ATOM 312 O GLY A 22 2.362 12.589 7.140 1.00 -0.50 O ATOM 0 H GLY A 22 0.972 12.654 9.632 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 3.320 14.430 9.576 1.00 0.04 H new ATOM 0 HA3 GLY A 22 3.297 12.690 9.782 1.00 0.04 H new ATOM 316 N PRO A 23 4.143 13.950 7.103 1.00 -0.23 N ATOM 317 CA PRO A 23 4.306 13.788 5.658 1.00 0.04 C ATOM 318 C PRO A 23 4.785 12.404 5.272 1.00 0.53 C ATOM 319 O PRO A 23 4.779 11.503 6.096 1.00 -0.50 O ATOM 320 CB PRO A 23 5.320 14.936 5.403 1.00 -0.12 C ATOM 321 CG PRO A 23 6.152 14.988 6.702 1.00 -0.12 C ATOM 322 CD PRO A 23 5.077 14.828 7.797 1.00 -0.01 C ATOM 0 HA PRO A 23 3.399 13.855 5.057 1.00 0.04 H new ATOM 0 HB2 PRO A 23 5.946 14.731 4.535 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 4.813 15.883 5.214 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 6.893 14.189 6.741 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 6.693 15.929 6.799 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 5.473 14.380 8.708 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 4.625 15.779 8.080 1.00 -0.01 H new ATOM 330 N LEU A 24 5.193 12.223 3.993 1.00 -0.46 N ATOM 331 CA LEU A 24 5.631 10.911 3.521 1.00 0.04 C ATOM 332 C LEU A 24 6.977 10.602 4.136 1.00 0.62 C ATOM 333 O LEU A 24 7.227 9.448 4.449 1.00 -0.50 O ATOM 334 CB LEU A 24 5.773 10.863 1.963 1.00 -0.06 C ATOM 335 CG LEU A 24 4.443 10.785 1.132 1.00 -0.01 C ATOM 336 CD1 LEU A 24 3.586 9.526 1.482 1.00 -0.11 C ATOM 337 CD2 LEU A 24 3.566 12.086 1.125 1.00 -0.11 C ATOM 0 H LEU A 24 5.224 12.961 3.290 1.00 -0.46 H new ATOM 0 HA LEU A 24 4.878 10.179 3.814 1.00 0.04 H new ATOM 0 HB2 LEU A 24 6.321 11.750 1.645 1.00 -0.06 H new ATOM 0 HB3 LEU A 24 6.386 10.000 1.704 1.00 -0.06 H new ATOM 0 HG LEU A 24 4.799 10.685 0.107 1.00 -0.01 H new ATOM 0 HD11 LEU A 24 2.679 9.524 0.878 1.00 -0.11 H new ATOM 0 HD12 LEU A 24 4.162 8.624 1.274 1.00 -0.11 H new ATOM 0 HD13 LEU A 24 3.318 9.550 2.538 1.00 -0.11 H new ATOM 0 HD21 LEU A 24 2.673 11.920 0.522 1.00 -0.11 H new ATOM 0 HD22 LEU A 24 3.273 12.333 2.146 1.00 -0.11 H new ATOM 0 HD23 LEU A 24 4.141 12.910 0.703 1.00 -0.11 H new ATOM 349 N GLY A 25 7.866 11.606 4.301 1.00 -0.46 N ATOM 350 CA GLY A 25 9.159 11.336 4.920 1.00 0.04 C ATOM 351 C GLY A 25 9.888 10.262 4.152 1.00 0.62 C ATOM 352 O GLY A 25 10.052 10.435 2.954 1.00 -0.50 O ATOM 0 H GLY A 25 7.711 12.575 4.022 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 9.757 12.247 4.943 1.00 0.04 H new ATOM 0 HA3 GLY A 25 9.017 11.022 5.954 1.00 0.04 H new ATOM 356 N ARG A 26 10.322 9.152 4.798 1.00 -0.46 N ATOM 357 CA ARG A 26 11.013 8.088 4.069 1.00 0.04 C ATOM 358 C ARG A 26 10.051 6.958 3.744 1.00 0.62 C ATOM 359 O ARG A 26 10.498 5.837 3.554 1.00 -0.50 O ATOM 360 CB ARG A 26 12.287 7.630 4.845 1.00 -0.08 C ATOM 361 CG ARG A 26 13.389 8.735 4.957 1.00 -0.10 C ATOM 362 CD ARG A 26 13.151 9.805 6.068 1.00 -0.23 C ATOM 363 NE ARG A 26 14.227 10.812 6.076 1.00 -0.32 N ATOM 364 CZ ARG A 26 14.360 11.742 7.000 1.00 0.76 C ATOM 365 NH1 ARG A 26 13.541 11.865 8.016 1.00 -0.62 N ATOM 366 NH2 ARG A 26 15.354 12.592 6.907 1.00 -0.62 N ATOM 0 H ARG A 26 10.205 8.982 5.797 1.00 -0.46 H new ATOM 0 HA ARG A 26 11.367 8.468 3.111 1.00 0.04 H new ATOM 0 HB2 ARG A 26 11.997 7.316 5.848 1.00 -0.08 H new ATOM 0 HB3 ARG A 26 12.710 6.757 4.348 1.00 -0.08 H new ATOM 0 HG2 ARG A 26 14.348 8.251 5.142 1.00 -0.10 H new ATOM 0 HG3 ARG A 26 13.468 9.244 3.996 1.00 -0.10 H new ATOM 0 HD2 ARG A 26 12.191 10.295 5.905 1.00 -0.23 H new ATOM 0 HD3 ARG A 26 13.098 9.317 7.041 1.00 -0.23 H new ATOM 0 HE ARG A 26 14.911 10.788 5.320 1.00 -0.32 H new ATOM 0 HH11 ARG A 26 12.756 11.222 8.119 1.00 -0.62 H new ATOM 0 HH12 ARG A 26 13.689 12.603 8.704 1.00 -0.62 H new ATOM 0 HH21 ARG A 26 16.009 12.527 6.128 1.00 -0.62 H new ATOM 0 HH22 ARG A 26 15.472 13.318 7.613 1.00 -0.62 H new ATOM 380 N CYS A 27 8.722 7.216 3.642 1.00 -0.46 N ATOM 381 CA CYS A 27 7.807 6.148 3.247 1.00 0.04 C ATOM 382 C CYS A 27 8.193 5.655 1.869 1.00 0.62 C ATOM 383 O CYS A 27 8.284 4.453 1.682 1.00 -0.50 O ATOM 384 CB CYS A 27 6.325 6.621 3.222 1.00 -0.10 C ATOM 385 SG CYS A 27 5.219 5.189 3.067 1.00 0.82 S ATOM 0 H CYS A 27 8.286 8.120 3.822 1.00 -0.46 H new ATOM 0 HA CYS A 27 7.887 5.350 3.985 1.00 0.04 H new ATOM 0 HB2 CYS A 27 6.095 7.172 4.134 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 6.167 7.305 2.388 1.00 -0.10 H new ATOM 390 N CYS A 28 8.415 6.559 0.883 1.00 -0.46 N ATOM 391 CA CYS A 28 8.700 6.094 -0.476 1.00 0.04 C ATOM 392 C CYS A 28 9.814 5.067 -0.526 1.00 0.62 C ATOM 393 O CYS A 28 9.672 4.106 -1.265 1.00 -0.50 O ATOM 394 CB CYS A 28 9.036 7.242 -1.466 1.00 -0.10 C ATOM 395 SG CYS A 28 7.709 8.485 -1.701 1.00 0.82 S ATOM 0 H CYS A 28 8.401 7.572 1.004 1.00 -0.46 H new ATOM 0 HA CYS A 28 7.768 5.627 -0.793 1.00 0.04 H new ATOM 0 HB2 CYS A 28 9.932 7.753 -1.114 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 9.278 6.805 -2.435 1.00 -0.10 H new ATOM 400 N GLY A 29 10.923 5.220 0.231 1.00 -0.46 N ATOM 401 CA GLY A 29 11.960 4.187 0.192 1.00 0.04 C ATOM 402 C GLY A 29 11.379 2.852 0.605 1.00 0.62 C ATOM 403 O GLY A 29 11.535 1.874 -0.112 1.00 -0.50 O ATOM 0 H GLY A 29 11.112 6.012 0.846 1.00 -0.46 H new ATOM 0 HA2 GLY A 29 12.376 4.116 -0.813 1.00 0.04 H new ATOM 0 HA3 GLY A 29 12.779 4.458 0.858 1.00 0.04 H new ATOM 407 N GLY A 30 10.693 2.797 1.769 1.00 -0.46 N ATOM 408 CA GLY A 30 10.080 1.539 2.195 1.00 0.04 C ATOM 409 C GLY A 30 9.066 1.037 1.190 1.00 0.62 C ATOM 410 O GLY A 30 9.007 -0.164 0.956 1.00 -0.50 O ATOM 0 H GLY A 30 10.558 3.584 2.404 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 10.856 0.786 2.335 1.00 0.04 H new ATOM 0 HA3 GLY A 30 9.595 1.680 3.161 1.00 0.04 H new ATOM 414 N VAL A 31 8.249 1.932 0.585 1.00 -0.46 N ATOM 415 CA VAL A 31 7.276 1.480 -0.412 1.00 0.04 C ATOM 416 C VAL A 31 8.087 0.890 -1.545 1.00 0.62 C ATOM 417 O VAL A 31 7.966 -0.290 -1.845 1.00 -0.50 O ATOM 418 CB VAL A 31 6.297 2.591 -0.907 1.00 -0.01 C ATOM 419 CG1 VAL A 31 5.342 2.101 -2.043 1.00 -0.09 C ATOM 420 CG2 VAL A 31 5.452 3.183 0.256 1.00 -0.09 C ATOM 0 H VAL A 31 8.249 2.936 0.768 1.00 -0.46 H new ATOM 0 HA VAL A 31 6.608 0.745 0.037 1.00 0.04 H new ATOM 0 HB VAL A 31 6.937 3.372 -1.317 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 4.686 2.918 -2.345 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 5.932 1.775 -2.899 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 4.740 1.268 -1.679 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 4.785 3.952 -0.134 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 4.862 2.391 0.717 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 6.116 3.622 1.001 1.00 -0.09 H new ATOM 430 N LYS A 32 8.970 1.659 -2.201 1.00 -0.46 N ATOM 431 CA LYS A 32 9.765 1.074 -3.280 1.00 0.04 C ATOM 432 C LYS A 32 10.355 -0.266 -2.875 1.00 0.62 C ATOM 433 O LYS A 32 10.388 -1.168 -3.701 1.00 -0.50 O ATOM 434 CB LYS A 32 10.888 2.069 -3.672 1.00 -0.10 C ATOM 435 CG LYS A 32 11.697 1.572 -4.903 1.00 -0.16 C ATOM 436 CD LYS A 32 12.682 2.661 -5.430 1.00 -0.18 C ATOM 437 CE LYS A 32 13.776 3.095 -4.407 1.00 -0.04 C ATOM 438 NZ LYS A 32 14.570 1.938 -3.901 1.00 -0.14 N ATOM 0 H LYS A 32 9.145 2.646 -2.011 1.00 -0.46 H new ATOM 0 HA LYS A 32 9.116 0.892 -4.137 1.00 0.04 H new ATOM 0 HB2 LYS A 32 10.450 3.042 -3.894 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 11.562 2.208 -2.826 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 12.257 0.677 -4.632 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 11.009 1.289 -5.699 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 13.172 2.285 -6.328 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 12.108 3.540 -5.724 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 14.446 3.814 -4.878 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 13.303 3.603 -3.567 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 15.295 2.278 -3.237 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 13.939 1.271 -3.412 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 15.030 1.457 -4.700 1.00 -0.14 H new ATOM 452 N ALA A 33 10.815 -0.436 -1.615 1.00 -0.46 N ATOM 453 CA ALA A 33 11.355 -1.734 -1.213 1.00 0.04 C ATOM 454 C ALA A 33 10.294 -2.821 -1.208 1.00 0.62 C ATOM 455 O ALA A 33 10.538 -3.872 -1.781 1.00 -0.50 O ATOM 456 CB ALA A 33 12.078 -1.660 0.155 1.00 -0.10 C ATOM 0 H ALA A 33 10.821 0.283 -0.892 1.00 -0.46 H new ATOM 0 HA ALA A 33 12.095 -2.005 -1.966 1.00 0.04 H new ATOM 0 HB1 ALA A 33 12.464 -2.645 0.416 1.00 -0.10 H new ATOM 0 HB2 ALA A 33 12.904 -0.952 0.092 1.00 -0.10 H new ATOM 0 HB3 ALA A 33 11.375 -1.331 0.921 1.00 -0.10 H new ATOM 462 N LEU A 34 9.103 -2.621 -0.592 1.00 -0.46 N ATOM 463 CA LEU A 34 8.098 -3.693 -0.607 1.00 0.04 C ATOM 464 C LEU A 34 7.730 -3.999 -2.040 1.00 0.62 C ATOM 465 O LEU A 34 7.426 -5.143 -2.330 1.00 -0.50 O ATOM 466 CB LEU A 34 6.821 -3.451 0.263 1.00 -0.06 C ATOM 467 CG LEU A 34 5.869 -2.310 -0.221 1.00 -0.01 C ATOM 468 CD1 LEU A 34 4.770 -2.771 -1.224 1.00 -0.11 C ATOM 469 CD2 LEU A 34 5.216 -1.551 0.969 1.00 -0.11 C ATOM 0 H LEU A 34 8.830 -1.769 -0.103 1.00 -0.46 H new ATOM 0 HA LEU A 34 8.571 -4.550 -0.127 1.00 0.04 H new ATOM 0 HB2 LEU A 34 6.252 -4.380 0.303 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 7.137 -3.226 1.282 1.00 -0.06 H new ATOM 0 HG LEU A 34 6.522 -1.629 -0.766 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 4.155 -1.917 -1.508 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 5.241 -3.190 -2.113 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 4.144 -3.529 -0.754 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 4.563 -0.767 0.586 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 4.632 -2.249 1.569 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 5.995 -1.104 1.587 1.00 -0.11 H new ATOM 481 N VAL A 35 7.758 -3.008 -2.958 1.00 -0.46 N ATOM 482 CA VAL A 35 7.308 -3.262 -4.329 1.00 0.04 C ATOM 483 C VAL A 35 8.137 -4.343 -4.982 1.00 0.62 C ATOM 484 O VAL A 35 7.582 -5.231 -5.612 1.00 -0.50 O ATOM 485 CB VAL A 35 7.295 -1.956 -5.165 1.00 -0.01 C ATOM 486 CG1 VAL A 35 6.989 -2.232 -6.665 1.00 -0.09 C ATOM 487 CG2 VAL A 35 6.226 -1.005 -4.562 1.00 -0.09 C ATOM 0 H VAL A 35 8.078 -2.057 -2.776 1.00 -0.46 H new ATOM 0 HA VAL A 35 6.281 -3.625 -4.286 1.00 0.04 H new ATOM 0 HB VAL A 35 8.283 -1.497 -5.124 1.00 -0.01 H new ATOM 0 HG11 VAL A 35 6.989 -1.291 -7.215 1.00 -0.09 H new ATOM 0 HG12 VAL A 35 7.752 -2.893 -7.076 1.00 -0.09 H new ATOM 0 HG13 VAL A 35 6.011 -2.705 -6.756 1.00 -0.09 H new ATOM 0 HG21 VAL A 35 6.199 -0.078 -5.135 1.00 -0.09 H new ATOM 0 HG22 VAL A 35 5.248 -1.485 -4.602 1.00 -0.09 H new ATOM 0 HG23 VAL A 35 6.479 -0.783 -3.525 1.00 -0.09 H new ATOM 497 N ASN A 36 9.477 -4.281 -4.830 1.00 -0.46 N ATOM 498 CA ASN A 36 10.315 -5.356 -5.361 1.00 0.04 C ATOM 499 C ASN A 36 9.807 -6.670 -4.809 1.00 0.62 C ATOM 500 O ASN A 36 9.643 -7.610 -5.571 1.00 -0.50 O ATOM 501 CB ASN A 36 11.799 -5.151 -4.961 1.00 -0.09 C ATOM 502 CG ASN A 36 12.278 -3.798 -5.434 1.00 0.68 C ATOM 503 OD1 ASN A 36 11.992 -3.431 -6.565 1.00 -0.47 O ATOM 504 ND2 ASN A 36 13.005 -3.019 -4.610 1.00 -0.87 N ATOM 0 H ASN A 36 9.979 -3.526 -4.362 1.00 -0.46 H new ATOM 0 HA ASN A 36 10.261 -5.355 -6.450 1.00 0.04 H new ATOM 0 HB2 ASN A 36 11.907 -5.226 -3.879 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 12.414 -5.937 -5.398 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 13.328 -2.104 -4.926 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 13.233 -3.344 -3.670 1.00 -0.87 H new ATOM 511 N SER A 37 9.515 -6.735 -3.488 1.00 -0.46 N ATOM 512 CA SER A 37 8.867 -7.917 -2.919 1.00 0.04 C ATOM 513 C SER A 37 7.364 -7.736 -2.995 1.00 0.62 C ATOM 514 O SER A 37 6.693 -7.743 -1.978 1.00 -0.50 O ATOM 515 CB SER A 37 9.380 -8.137 -1.473 1.00 0.02 C ATOM 516 OG SER A 37 10.811 -8.015 -1.433 1.00 -0.55 O ATOM 0 H SER A 37 9.717 -5.994 -2.817 1.00 -0.46 H new ATOM 0 HA SER A 37 9.116 -8.815 -3.484 1.00 0.04 H new ATOM 0 HB2 SER A 37 8.926 -7.407 -0.803 1.00 0.02 H new ATOM 0 HB3 SER A 37 9.081 -9.124 -1.119 1.00 0.02 H new ATOM 0 HG SER A 37 11.126 -8.154 -0.515 1.00 -0.55 H new ATOM 522 N ALA A 38 6.836 -7.567 -4.225 1.00 -0.46 N ATOM 523 CA ALA A 38 5.391 -7.432 -4.442 1.00 0.04 C ATOM 524 C ALA A 38 5.120 -7.882 -5.859 1.00 0.62 C ATOM 525 O ALA A 38 4.348 -8.809 -6.046 1.00 -0.50 O ATOM 526 CB ALA A 38 4.791 -6.022 -4.199 1.00 -0.10 C ATOM 0 H ALA A 38 7.393 -7.522 -5.078 1.00 -0.46 H new ATOM 0 HA ALA A 38 4.895 -8.047 -3.691 1.00 0.04 H new ATOM 0 HB1 ALA A 38 3.718 -6.045 -4.390 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 4.969 -5.724 -3.166 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 5.264 -5.305 -4.870 1.00 -0.10 H new ATOM 532 N ARG A 39 5.758 -7.264 -6.882 1.00 -0.46 N ATOM 533 CA ARG A 39 5.554 -7.705 -8.262 1.00 0.04 C ATOM 534 C ARG A 39 6.109 -9.091 -8.529 1.00 0.62 C ATOM 535 O ARG A 39 7.029 -9.237 -9.318 1.00 -0.50 O ATOM 536 CB ARG A 39 6.123 -6.681 -9.290 1.00 -0.08 C ATOM 537 CG ARG A 39 5.524 -5.252 -9.172 1.00 -0.10 C ATOM 538 CD ARG A 39 3.980 -5.233 -9.282 1.00 -0.23 C ATOM 539 NE ARG A 39 3.536 -5.995 -10.461 1.00 -0.32 N ATOM 540 CZ ARG A 39 3.328 -5.504 -11.666 1.00 0.76 C ATOM 541 NH1 ARG A 39 3.471 -4.242 -11.989 1.00 -0.62 N ATOM 542 NH2 ARG A 39 2.955 -6.329 -12.618 1.00 -0.62 N ATOM 0 H ARG A 39 6.400 -6.479 -6.772 1.00 -0.46 H new ATOM 0 HA ARG A 39 4.474 -7.760 -8.396 1.00 0.04 H new ATOM 0 HB2 ARG A 39 7.204 -6.620 -9.163 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 5.941 -7.056 -10.297 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 5.820 -4.817 -8.217 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 5.946 -4.621 -9.954 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 3.540 -5.659 -8.380 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 3.628 -4.204 -9.353 1.00 -0.23 H new ATOM 0 HE ARG A 39 3.375 -6.994 -10.333 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 3.762 -3.565 -11.284 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 3.291 -3.937 -12.945 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 2.834 -7.321 -12.415 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 2.787 -5.977 -13.561 1.00 -0.62 H new ATOM 556 N THR A 40 5.520 -10.136 -7.907 1.00 -0.46 N ATOM 557 CA THR A 40 5.823 -11.517 -8.277 1.00 0.04 C ATOM 558 C THR A 40 4.508 -12.271 -8.230 1.00 0.62 C ATOM 559 O THR A 40 4.459 -13.385 -7.737 1.00 -0.50 O ATOM 560 CB THR A 40 6.900 -12.066 -7.299 1.00 0.17 C ATOM 561 OG1 THR A 40 7.903 -11.064 -7.056 1.00 -0.55 O ATOM 562 CG2 THR A 40 7.579 -13.363 -7.818 1.00 -0.19 C ATOM 0 H THR A 40 4.839 -10.041 -7.154 1.00 -0.46 H new ATOM 0 HA THR A 40 6.242 -11.621 -9.278 1.00 0.04 H new ATOM 0 HB THR A 40 6.384 -12.317 -6.372 1.00 0.17 H new ATOM 0 HG1 THR A 40 8.576 -11.418 -6.438 1.00 -0.55 H new ATOM 0 HG21 THR A 40 8.321 -13.700 -7.094 1.00 -0.19 H new ATOM 0 HG22 THR A 40 6.826 -14.139 -7.953 1.00 -0.19 H new ATOM 0 HG23 THR A 40 8.067 -13.162 -8.771 1.00 -0.19 H new ATOM 570 N THR A 41 3.415 -11.639 -8.723 1.00 -0.46 N ATOM 571 CA THR A 41 2.074 -12.229 -8.635 1.00 0.04 C ATOM 572 C THR A 41 1.584 -12.424 -7.211 1.00 0.62 C ATOM 573 O THR A 41 0.620 -11.784 -6.821 1.00 -0.50 O ATOM 574 CB THR A 41 1.945 -13.550 -9.447 1.00 0.17 C ATOM 575 OG1 THR A 41 2.517 -13.389 -10.757 1.00 -0.55 O ATOM 576 CG2 THR A 41 0.457 -13.947 -9.638 1.00 -0.19 C ATOM 0 H THR A 41 3.444 -10.728 -9.181 1.00 -0.46 H new ATOM 0 HA THR A 41 1.419 -11.488 -9.094 1.00 0.04 H new ATOM 0 HB THR A 41 2.470 -14.323 -8.886 1.00 0.17 H new ATOM 0 HG1 THR A 41 2.431 -14.228 -11.257 1.00 -0.55 H new ATOM 0 HG21 THR A 41 0.398 -14.874 -10.209 1.00 -0.19 H new ATOM 0 HG22 THR A 41 -0.009 -14.091 -8.663 1.00 -0.19 H new ATOM 0 HG23 THR A 41 -0.065 -13.156 -10.176 1.00 -0.19 H new ATOM 584 N GLU A 42 2.206 -13.312 -6.405 1.00 -0.46 N ATOM 585 CA GLU A 42 1.638 -13.660 -5.102 1.00 0.04 C ATOM 586 C GLU A 42 1.928 -12.569 -4.097 1.00 0.62 C ATOM 587 O GLU A 42 1.020 -12.113 -3.419 1.00 -0.50 O ATOM 588 CB GLU A 42 2.233 -14.995 -4.576 1.00 -0.18 C ATOM 589 CG GLU A 42 1.923 -16.179 -5.537 1.00 -0.40 C ATOM 590 CD GLU A 42 2.678 -17.406 -5.092 1.00 0.71 C ATOM 591 OE1 GLU A 42 2.411 -17.878 -3.953 1.00 -0.72 O ATOM 592 OE2 GLU A 42 3.546 -17.892 -5.868 1.00 -0.72 O ATOM 0 H GLU A 42 3.080 -13.786 -6.633 1.00 -0.46 H new ATOM 0 HA GLU A 42 0.561 -13.772 -5.229 1.00 0.04 H new ATOM 0 HB2 GLU A 42 3.312 -14.892 -4.460 1.00 -0.18 H new ATOM 0 HB3 GLU A 42 1.826 -15.211 -3.588 1.00 -0.18 H new ATOM 0 HG2 GLU A 42 0.852 -16.382 -5.545 1.00 -0.40 H new ATOM 0 HG3 GLU A 42 2.206 -15.916 -6.556 1.00 -0.40 H new ATOM 599 N ASP A 43 3.198 -12.127 -3.989 1.00 -0.46 N ATOM 600 CA ASP A 43 3.517 -11.095 -3.005 1.00 0.04 C ATOM 601 C ASP A 43 2.576 -9.911 -3.173 1.00 0.62 C ATOM 602 O ASP A 43 1.964 -9.496 -2.199 1.00 -0.50 O ATOM 603 CB ASP A 43 5.030 -10.764 -3.121 1.00 -0.40 C ATOM 604 CG ASP A 43 5.864 -11.979 -2.816 1.00 0.71 C ATOM 605 OD1 ASP A 43 5.836 -12.448 -1.644 1.00 -0.72 O ATOM 606 OD2 ASP A 43 6.546 -12.492 -3.740 1.00 -0.72 O ATOM 0 H ASP A 43 3.984 -12.457 -4.549 1.00 -0.46 H new ATOM 0 HA ASP A 43 3.353 -11.434 -1.982 1.00 0.04 H new ATOM 0 HB2 ASP A 43 5.253 -10.406 -4.126 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 5.285 -9.959 -2.432 1.00 -0.40 H new ATOM 611 N ARG A 44 2.409 -9.368 -4.404 1.00 -0.46 N ATOM 612 CA ARG A 44 1.448 -8.278 -4.605 1.00 0.04 C ATOM 613 C ARG A 44 0.030 -8.704 -4.266 1.00 0.62 C ATOM 614 O ARG A 44 -0.716 -7.877 -3.763 1.00 -0.50 O ATOM 615 CB ARG A 44 1.581 -7.524 -5.967 1.00 -0.08 C ATOM 616 CG ARG A 44 1.330 -8.319 -7.283 1.00 -0.10 C ATOM 617 CD ARG A 44 -0.132 -8.760 -7.599 1.00 -0.23 C ATOM 618 NE ARG A 44 -1.151 -7.701 -7.511 1.00 -0.32 N ATOM 619 CZ ARG A 44 -2.064 -7.410 -8.426 1.00 0.76 C ATOM 620 NH1 ARG A 44 -2.192 -7.998 -9.585 1.00 -0.62 N ATOM 621 NH2 ARG A 44 -2.926 -6.455 -8.165 1.00 -0.62 N ATOM 0 H ARG A 44 2.913 -9.661 -5.241 1.00 -0.46 H new ATOM 0 HA ARG A 44 1.722 -7.511 -3.880 1.00 0.04 H new ATOM 0 HB2 ARG A 44 0.887 -6.683 -5.950 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 2.587 -7.107 -6.018 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 1.683 -7.710 -8.115 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 1.952 -9.214 -7.257 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 -0.156 -9.179 -8.605 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 -0.407 -9.561 -6.913 1.00 -0.23 H new ATOM 0 HE ARG A 44 -1.154 -7.136 -6.662 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 -1.556 -8.750 -9.848 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 -2.928 -7.705 -10.227 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 -2.882 -5.958 -7.276 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 -3.640 -6.210 -8.852 1.00 -0.62 H new ATOM 635 N GLN A 45 -0.400 -9.967 -4.489 1.00 -0.46 N ATOM 636 CA GLN A 45 -1.760 -10.346 -4.087 1.00 0.04 C ATOM 637 C GLN A 45 -1.893 -10.190 -2.587 1.00 0.62 C ATOM 638 O GLN A 45 -2.913 -9.692 -2.134 1.00 -0.50 O ATOM 639 CB GLN A 45 -2.137 -11.812 -4.446 1.00 -0.10 C ATOM 640 CG GLN A 45 -2.547 -11.999 -5.933 1.00 -0.10 C ATOM 641 CD GLN A 45 -2.504 -13.418 -6.458 1.00 0.68 C ATOM 642 OE1 GLN A 45 -2.571 -13.568 -7.672 1.00 -0.47 O ATOM 643 NE2 GLN A 45 -2.399 -14.494 -5.654 1.00 -0.87 N ATOM 0 H GLN A 45 0.151 -10.706 -4.925 1.00 -0.46 H new ATOM 0 HA GLN A 45 -2.434 -9.689 -4.637 1.00 0.04 H new ATOM 0 HB2 GLN A 45 -1.289 -12.461 -4.227 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 -2.959 -12.134 -3.807 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 -3.559 -11.615 -6.062 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 -1.892 -11.384 -6.550 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 -2.343 -14.372 -4.643 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 -2.375 -15.431 -6.056 1.00 -0.87 H new ATOM 652 N ILE A 46 -0.887 -10.610 -1.788 1.00 -0.46 N ATOM 653 CA ILE A 46 -1.027 -10.481 -0.335 1.00 0.04 C ATOM 654 C ILE A 46 -0.926 -9.010 0.022 1.00 0.62 C ATOM 655 O ILE A 46 -1.745 -8.534 0.797 1.00 -0.50 O ATOM 656 CB ILE A 46 -0.009 -11.311 0.511 1.00 -0.01 C ATOM 657 CG1 ILE A 46 0.221 -12.778 0.026 1.00 -0.05 C ATOM 658 CG2 ILE A 46 -0.433 -11.319 2.010 1.00 -0.09 C ATOM 659 CD1 ILE A 46 -1.026 -13.712 0.084 1.00 -0.09 C ATOM 0 H ILE A 46 -0.011 -11.021 -2.111 1.00 -0.46 H new ATOM 0 HA ILE A 46 -2.000 -10.900 -0.078 1.00 0.04 H new ATOM 0 HB ILE A 46 0.946 -10.803 0.375 1.00 -0.01 H new ATOM 0 HG12 ILE A 46 0.583 -12.749 -1.002 1.00 -0.05 H new ATOM 0 HG13 ILE A 46 1.013 -13.221 0.630 1.00 -0.05 H new ATOM 0 HG21 ILE A 46 0.285 -11.901 2.588 1.00 -0.09 H new ATOM 0 HG22 ILE A 46 -0.458 -10.296 2.386 1.00 -0.09 H new ATOM 0 HG23 ILE A 46 -1.423 -11.765 2.106 1.00 -0.09 H new ATOM 0 HD11 ILE A 46 -0.754 -14.705 -0.275 1.00 -0.09 H new ATOM 0 HD12 ILE A 46 -1.380 -13.782 1.112 1.00 -0.09 H new ATOM 0 HD13 ILE A 46 -1.817 -13.303 -0.545 1.00 -0.09 H new ATOM 671 N ALA A 47 0.064 -8.265 -0.529 1.00 -0.46 N ATOM 672 CA ALA A 47 0.178 -6.841 -0.205 1.00 0.04 C ATOM 673 C ALA A 47 -1.163 -6.175 -0.418 1.00 0.62 C ATOM 674 O ALA A 47 -1.665 -5.514 0.472 1.00 -0.50 O ATOM 675 CB ALA A 47 1.217 -6.074 -1.070 1.00 -0.10 C ATOM 0 H ALA A 47 0.767 -8.620 -1.177 1.00 -0.46 H new ATOM 0 HA ALA A 47 0.512 -6.798 0.832 1.00 0.04 H new ATOM 0 HB1 ALA A 47 1.240 -5.027 -0.767 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 2.204 -6.515 -0.929 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 0.936 -6.142 -2.121 1.00 -0.10 H new ATOM 681 N CYS A 48 -1.767 -6.360 -1.607 1.00 -0.46 N ATOM 682 CA CYS A 48 -3.053 -5.728 -1.900 1.00 0.04 C ATOM 683 C CYS A 48 -4.063 -5.907 -0.787 1.00 0.62 C ATOM 684 O CYS A 48 -4.713 -4.948 -0.402 1.00 -0.50 O ATOM 685 CB CYS A 48 -3.621 -6.449 -3.139 1.00 -0.10 C ATOM 686 SG CYS A 48 -5.308 -5.953 -3.589 1.00 0.82 S ATOM 0 H CYS A 48 -1.389 -6.932 -2.362 1.00 -0.46 H new ATOM 0 HA CYS A 48 -2.889 -4.659 -2.039 1.00 0.04 H new ATOM 0 HB2 CYS A 48 -2.962 -6.262 -3.987 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 -3.608 -7.524 -2.957 1.00 -0.10 H new ATOM 691 N THR A 49 -4.228 -7.149 -0.279 1.00 -0.46 N ATOM 692 CA THR A 49 -5.233 -7.387 0.757 1.00 0.04 C ATOM 693 C THR A 49 -4.779 -6.706 2.027 1.00 0.62 C ATOM 694 O THR A 49 -5.560 -6.004 2.650 1.00 -0.50 O ATOM 695 CB THR A 49 -5.415 -8.907 1.008 1.00 0.17 C ATOM 696 OG1 THR A 49 -5.573 -9.532 -0.287 1.00 -0.55 O ATOM 697 CG2 THR A 49 -6.680 -9.206 1.854 1.00 -0.19 C ATOM 0 H THR A 49 -3.694 -7.970 -0.563 1.00 -0.46 H new ATOM 0 HA THR A 49 -6.192 -6.983 0.433 1.00 0.04 H new ATOM 0 HB THR A 49 -4.552 -9.286 1.555 1.00 0.17 H new ATOM 0 HG1 THR A 49 -5.690 -10.498 -0.172 1.00 -0.55 H new ATOM 0 HG21 THR A 49 -6.770 -10.282 2.006 1.00 -0.19 H new ATOM 0 HG22 THR A 49 -6.598 -8.708 2.820 1.00 -0.19 H new ATOM 0 HG23 THR A 49 -7.563 -8.839 1.331 1.00 -0.19 H new ATOM 705 N CYS A 50 -3.496 -6.901 2.413 1.00 -0.46 N ATOM 706 CA CYS A 50 -2.979 -6.212 3.595 1.00 0.04 C ATOM 707 C CYS A 50 -3.230 -4.728 3.497 1.00 0.62 C ATOM 708 O CYS A 50 -3.590 -4.112 4.486 1.00 -0.50 O ATOM 709 CB CYS A 50 -1.444 -6.371 3.693 1.00 -0.10 C ATOM 710 SG CYS A 50 -1.046 -8.123 3.921 1.00 0.82 S ATOM 0 H CYS A 50 -2.829 -7.509 1.937 1.00 -0.46 H new ATOM 0 HA CYS A 50 -3.483 -6.649 4.457 1.00 0.04 H new ATOM 0 HB2 CYS A 50 -0.968 -5.991 2.789 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 -1.057 -5.785 4.527 1.00 -0.10 H new ATOM 715 N LEU A 51 -3.026 -4.152 2.298 1.00 -0.46 N ATOM 716 CA LEU A 51 -3.244 -2.723 2.124 1.00 0.04 C ATOM 717 C LEU A 51 -4.713 -2.407 2.253 1.00 0.62 C ATOM 718 O LEU A 51 -5.059 -1.472 2.957 1.00 -0.50 O ATOM 719 CB LEU A 51 -2.735 -2.285 0.729 1.00 -0.06 C ATOM 720 CG LEU A 51 -1.179 -2.330 0.601 1.00 -0.01 C ATOM 721 CD1 LEU A 51 -0.736 -2.267 -0.890 1.00 -0.11 C ATOM 722 CD2 LEU A 51 -0.422 -1.259 1.437 1.00 -0.11 C ATOM 0 H LEU A 51 -2.718 -4.647 1.461 1.00 -0.46 H new ATOM 0 HA LEU A 51 -2.695 -2.182 2.895 1.00 0.04 H new ATOM 0 HB2 LEU A 51 -3.175 -2.931 -0.031 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 -3.081 -1.272 0.525 1.00 -0.06 H new ATOM 0 HG LEU A 51 -0.894 -3.291 1.030 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 0.352 -2.300 -0.948 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 -1.154 -3.116 -1.430 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 -1.095 -1.340 -1.337 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 0.651 -1.369 1.283 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 -0.733 -0.264 1.120 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 -0.653 -1.392 2.494 1.00 -0.11 H new ATOM 734 N LYS A 52 -5.597 -3.179 1.588 1.00 -0.46 N ATOM 735 CA LYS A 52 -7.028 -2.955 1.783 1.00 0.04 C ATOM 736 C LYS A 52 -7.318 -2.960 3.270 1.00 0.62 C ATOM 737 O LYS A 52 -8.055 -2.102 3.730 1.00 -0.50 O ATOM 738 CB LYS A 52 -7.843 -4.042 1.029 1.00 -0.10 C ATOM 739 CG LYS A 52 -9.382 -3.869 1.179 1.00 -0.16 C ATOM 740 CD LYS A 52 -10.173 -4.694 0.120 1.00 -0.18 C ATOM 741 CE LYS A 52 -9.908 -6.228 0.164 1.00 -0.04 C ATOM 742 NZ LYS A 52 -10.312 -6.836 1.461 1.00 -0.14 N ATOM 0 H LYS A 52 -5.353 -3.929 0.941 1.00 -0.46 H new ATOM 0 HA LYS A 52 -7.325 -1.989 1.374 1.00 0.04 H new ATOM 0 HB2 LYS A 52 -7.582 -4.014 -0.029 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 -7.556 -5.025 1.402 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 -9.685 -4.179 2.179 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 -9.639 -2.814 1.081 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 -11.239 -4.518 0.264 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 -9.920 -4.323 -0.873 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 -10.453 -6.712 -0.646 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 -8.848 -6.416 -0.008 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 -10.116 -7.857 1.442 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 -9.774 -6.395 2.234 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 -11.329 -6.681 1.615 1.00 -0.14 H new ATOM 756 N SER A 53 -6.725 -3.906 4.034 1.00 -0.46 N ATOM 757 CA SER A 53 -6.910 -3.903 5.486 1.00 0.04 C ATOM 758 C SER A 53 -6.281 -2.676 6.125 1.00 0.62 C ATOM 759 O SER A 53 -6.914 -2.063 6.969 1.00 -0.50 O ATOM 760 CB SER A 53 -6.305 -5.191 6.110 1.00 0.02 C ATOM 761 OG SER A 53 -6.690 -6.319 5.301 1.00 -0.55 O ATOM 0 H SER A 53 -6.134 -4.656 3.675 1.00 -0.46 H new ATOM 0 HA SER A 53 -7.982 -3.876 5.682 1.00 0.04 H new ATOM 0 HB2 SER A 53 -5.219 -5.114 6.158 1.00 0.02 H new ATOM 0 HB3 SER A 53 -6.661 -5.319 7.132 1.00 0.02 H new ATOM 0 HG SER A 53 -6.189 -6.304 4.459 1.00 -0.55 H new ATOM 767 N ALA A 54 -5.037 -2.294 5.747 1.00 -0.46 N ATOM 768 CA ALA A 54 -4.380 -1.149 6.388 1.00 0.04 C ATOM 769 C ALA A 54 -5.203 0.103 6.167 1.00 0.62 C ATOM 770 O ALA A 54 -5.431 0.861 7.097 1.00 -0.50 O ATOM 771 CB ALA A 54 -2.946 -0.901 5.835 1.00 -0.10 C ATOM 0 H ALA A 54 -4.488 -2.753 5.021 1.00 -0.46 H new ATOM 0 HA ALA A 54 -4.301 -1.382 7.450 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -2.504 -0.043 6.342 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -2.331 -1.783 6.011 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -2.998 -0.702 4.764 1.00 -0.10 H new ATOM 777 N ALA A 55 -5.661 0.325 4.915 1.00 -0.46 N ATOM 778 CA ALA A 55 -6.503 1.484 4.633 1.00 0.04 C ATOM 779 C ALA A 55 -7.836 1.309 5.333 1.00 0.62 C ATOM 780 O ALA A 55 -8.310 2.243 5.961 1.00 -0.50 O ATOM 781 CB ALA A 55 -6.684 1.665 3.102 1.00 -0.10 C ATOM 0 H ALA A 55 -5.463 -0.271 4.111 1.00 -0.46 H new ATOM 0 HA ALA A 55 -6.025 2.388 5.011 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -7.314 2.533 2.910 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -5.710 1.813 2.636 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 -7.155 0.775 2.684 1.00 -0.10 H new ATOM 787 N GLY A 56 -8.467 0.114 5.272 1.00 -0.46 N ATOM 788 CA GLY A 56 -9.703 -0.105 6.028 1.00 0.04 C ATOM 789 C GLY A 56 -9.386 -0.287 7.498 1.00 0.62 C ATOM 790 O GLY A 56 -9.546 -1.386 8.005 1.00 -0.50 O ATOM 0 H GLY A 56 -8.147 -0.685 4.724 1.00 -0.46 H new ATOM 0 HA2 GLY A 56 -10.375 0.742 5.895 1.00 0.04 H new ATOM 0 HA3 GLY A 56 -10.221 -0.986 5.647 1.00 0.04 H new ATOM 794 N ALA A 57 -8.937 0.788 8.188 1.00 -0.46 N ATOM 795 CA ALA A 57 -8.572 0.688 9.605 1.00 0.04 C ATOM 796 C ALA A 57 -8.279 2.064 10.180 1.00 0.62 C ATOM 797 O ALA A 57 -8.874 2.440 11.178 1.00 -0.50 O ATOM 798 CB ALA A 57 -7.338 -0.230 9.824 1.00 -0.10 C ATOM 0 H ALA A 57 -8.823 1.718 7.786 1.00 -0.46 H new ATOM 0 HA ALA A 57 -9.424 0.246 10.121 1.00 0.04 H new ATOM 0 HB1 ALA A 57 -7.103 -0.276 10.887 1.00 -0.10 H new ATOM 0 HB2 ALA A 57 -7.561 -1.232 9.458 1.00 -0.10 H new ATOM 0 HB3 ALA A 57 -6.484 0.173 9.280 1.00 -0.10 H new ATOM 804 N ILE A 58 -7.364 2.835 9.546 1.00 -0.46 N ATOM 805 CA ILE A 58 -7.070 4.194 10.007 1.00 0.04 C ATOM 806 C ILE A 58 -8.382 4.931 10.248 1.00 0.62 C ATOM 807 O ILE A 58 -9.201 4.955 9.341 1.00 -0.50 O ATOM 808 CB ILE A 58 -6.224 5.023 8.987 1.00 -0.01 C ATOM 809 CG1 ILE A 58 -4.942 4.338 8.413 1.00 -0.05 C ATOM 810 CG2 ILE A 58 -5.897 6.453 9.534 1.00 -0.09 C ATOM 811 CD1 ILE A 58 -4.022 3.761 9.518 1.00 -0.09 C ATOM 0 H ILE A 58 -6.830 2.538 8.729 1.00 -0.46 H new ATOM 0 HA ILE A 58 -6.483 4.097 10.920 1.00 0.04 H new ATOM 0 HB ILE A 58 -6.887 5.098 8.125 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -5.237 3.536 7.737 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 -4.382 5.063 7.823 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -5.308 6.999 8.797 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -6.826 6.990 9.726 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -5.329 6.367 10.461 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -3.148 3.298 9.059 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -3.701 4.565 10.180 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -4.569 3.014 10.093 1.00 -0.09 H new ATOM 823 N SER A 59 -8.639 5.531 11.435 1.00 -0.46 N ATOM 824 CA SER A 59 -9.947 6.155 11.678 1.00 0.04 C ATOM 825 C SER A 59 -10.190 7.425 10.886 1.00 0.62 C ATOM 826 O SER A 59 -11.277 7.592 10.356 1.00 -0.50 O ATOM 827 CB SER A 59 -10.120 6.545 13.172 1.00 0.02 C ATOM 828 OG SER A 59 -11.351 7.258 13.385 1.00 -0.55 O ATOM 0 H SER A 59 -7.979 5.592 12.210 1.00 -0.46 H new ATOM 0 HA SER A 59 -10.658 5.391 11.363 1.00 0.04 H new ATOM 0 HB2 SER A 59 -10.106 5.647 13.789 1.00 0.02 H new ATOM 0 HB3 SER A 59 -9.280 7.163 13.489 1.00 0.02 H new ATOM 0 HG SER A 59 -11.435 7.490 14.334 1.00 -0.55 H new ATOM 834 N GLY A 60 -9.198 8.341 10.814 1.00 -0.46 N ATOM 835 CA GLY A 60 -9.402 9.639 10.164 1.00 0.04 C ATOM 836 C GLY A 60 -8.748 9.575 8.814 1.00 0.62 C ATOM 837 O GLY A 60 -7.912 10.408 8.507 1.00 -0.50 O ATOM 0 H GLY A 60 -8.262 8.201 11.195 1.00 -0.46 H new ATOM 0 HA2 GLY A 60 -10.466 9.855 10.065 1.00 0.04 H new ATOM 0 HA3 GLY A 60 -8.968 10.440 10.763 1.00 0.04 H new ATOM 841 N ILE A 61 -9.109 8.552 8.012 1.00 -0.46 N ATOM 842 CA ILE A 61 -8.369 8.304 6.780 1.00 0.04 C ATOM 843 C ILE A 61 -8.738 9.277 5.685 1.00 0.62 C ATOM 844 O ILE A 61 -9.907 9.618 5.598 1.00 -0.50 O ATOM 845 CB ILE A 61 -8.500 6.815 6.312 1.00 -0.01 C ATOM 846 CG1 ILE A 61 -7.422 6.512 5.226 1.00 -0.05 C ATOM 847 CG2 ILE A 61 -9.940 6.418 5.864 1.00 -0.09 C ATOM 848 CD1 ILE A 61 -7.253 5.013 4.864 1.00 -0.09 C ATOM 0 H ILE A 61 -9.881 7.911 8.194 1.00 -0.46 H new ATOM 0 HA ILE A 61 -7.317 8.476 7.005 1.00 0.04 H new ATOM 0 HB ILE A 61 -8.312 6.180 7.178 1.00 -0.01 H new ATOM 0 HG12 ILE A 61 -7.677 7.062 4.320 1.00 -0.05 H new ATOM 0 HG13 ILE A 61 -6.462 6.896 5.572 1.00 -0.05 H new ATOM 0 HG21 ILE A 61 -9.950 5.373 5.554 1.00 -0.09 H new ATOM 0 HG22 ILE A 61 -10.631 6.557 6.696 1.00 -0.09 H new ATOM 0 HG23 ILE A 61 -10.247 7.047 5.028 1.00 -0.09 H new ATOM 0 HD11 ILE A 61 -6.481 4.908 4.101 1.00 -0.09 H new ATOM 0 HD12 ILE A 61 -6.963 4.454 5.754 1.00 -0.09 H new ATOM 0 HD13 ILE A 61 -8.196 4.622 4.482 1.00 -0.09 H new ATOM 860 N ASN A 62 -7.781 9.725 4.832 1.00 -0.46 N ATOM 861 CA ASN A 62 -8.138 10.543 3.672 1.00 0.04 C ATOM 862 C ASN A 62 -8.148 9.637 2.453 1.00 0.62 C ATOM 863 O ASN A 62 -7.103 9.105 2.108 1.00 -0.50 O ATOM 864 CB ASN A 62 -7.151 11.725 3.510 1.00 -0.09 C ATOM 865 CG ASN A 62 -7.525 12.552 2.299 1.00 0.68 C ATOM 866 OD1 ASN A 62 -7.415 12.045 1.191 1.00 -0.47 O ATOM 867 ND2 ASN A 62 -7.976 13.813 2.451 1.00 -0.87 N ATOM 0 H ASN A 62 -6.784 9.533 4.931 1.00 -0.46 H new ATOM 0 HA ASN A 62 -9.126 10.986 3.801 1.00 0.04 H new ATOM 0 HB2 ASN A 62 -7.167 12.348 4.404 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 -6.134 11.348 3.403 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -8.234 14.365 1.633 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -8.060 14.216 3.384 1.00 -0.87 H new ATOM 874 N LEU A 63 -9.312 9.438 1.794 1.00 -0.46 N ATOM 875 CA LEU A 63 -9.388 8.500 0.668 1.00 0.04 C ATOM 876 C LEU A 63 -8.401 8.856 -0.424 1.00 0.62 C ATOM 877 O LEU A 63 -7.701 7.980 -0.911 1.00 -0.50 O ATOM 878 CB LEU A 63 -10.839 8.515 0.095 1.00 -0.06 C ATOM 879 CG LEU A 63 -11.115 7.554 -1.105 1.00 -0.01 C ATOM 880 CD1 LEU A 63 -10.936 6.057 -0.709 1.00 -0.11 C ATOM 881 CD2 LEU A 63 -12.568 7.793 -1.624 1.00 -0.11 C ATOM 0 H LEU A 63 -10.189 9.906 2.021 1.00 -0.46 H new ATOM 0 HA LEU A 63 -9.133 7.504 1.030 1.00 0.04 H new ATOM 0 HB2 LEU A 63 -11.529 8.264 0.901 1.00 -0.06 H new ATOM 0 HB3 LEU A 63 -11.073 9.532 -0.219 1.00 -0.06 H new ATOM 0 HG LEU A 63 -10.389 7.772 -1.888 1.00 -0.01 H new ATOM 0 HD11 LEU A 63 -11.138 5.425 -1.574 1.00 -0.11 H new ATOM 0 HD12 LEU A 63 -9.914 5.890 -0.369 1.00 -0.11 H new ATOM 0 HD13 LEU A 63 -11.631 5.807 0.093 1.00 -0.11 H new ATOM 0 HD21 LEU A 63 -12.769 7.126 -2.462 1.00 -0.11 H new ATOM 0 HD22 LEU A 63 -13.278 7.593 -0.822 1.00 -0.11 H new ATOM 0 HD23 LEU A 63 -12.672 8.828 -1.951 1.00 -0.11 H new ATOM 893 N GLY A 64 -8.334 10.146 -0.826 1.00 -0.46 N ATOM 894 CA GLY A 64 -7.400 10.524 -1.883 1.00 0.04 C ATOM 895 C GLY A 64 -5.977 10.194 -1.502 1.00 0.62 C ATOM 896 O GLY A 64 -5.230 9.764 -2.365 1.00 -0.50 O ATOM 0 H GLY A 64 -8.896 10.908 -0.446 1.00 -0.46 H new ATOM 0 HA2 GLY A 64 -7.662 10.005 -2.805 1.00 0.04 H new ATOM 0 HA3 GLY A 64 -7.487 11.592 -2.083 1.00 0.04 H new ATOM 900 N LYS A 65 -5.568 10.392 -0.227 1.00 -0.46 N ATOM 901 CA LYS A 65 -4.187 10.072 0.141 1.00 0.04 C ATOM 902 C LYS A 65 -3.989 8.575 0.105 1.00 0.62 C ATOM 903 O LYS A 65 -2.980 8.149 -0.437 1.00 -0.50 O ATOM 904 CB LYS A 65 -3.773 10.671 1.513 1.00 -0.10 C ATOM 905 CG LYS A 65 -3.832 12.227 1.458 1.00 -0.16 C ATOM 906 CD LYS A 65 -3.246 12.910 2.729 1.00 -0.18 C ATOM 907 CE LYS A 65 -3.426 14.458 2.706 1.00 -0.04 C ATOM 908 NZ LYS A 65 -2.622 15.169 1.671 1.00 -0.14 N ATOM 0 H LYS A 65 -6.151 10.755 0.527 1.00 -0.46 H new ATOM 0 HA LYS A 65 -3.529 10.539 -0.592 1.00 0.04 H new ATOM 0 HB2 LYS A 65 -4.437 10.302 2.295 1.00 -0.10 H new ATOM 0 HB3 LYS A 65 -2.765 10.346 1.771 1.00 -0.10 H new ATOM 0 HG2 LYS A 65 -3.284 12.574 0.582 1.00 -0.16 H new ATOM 0 HG3 LYS A 65 -4.868 12.540 1.330 1.00 -0.16 H new ATOM 0 HD2 LYS A 65 -3.734 12.503 3.615 1.00 -0.18 H new ATOM 0 HD3 LYS A 65 -2.186 12.671 2.811 1.00 -0.18 H new ATOM 0 HE2 LYS A 65 -4.480 14.684 2.545 1.00 -0.04 H new ATOM 0 HE3 LYS A 65 -3.161 14.854 3.686 1.00 -0.04 H new ATOM 0 HZ1 LYS A 65 -2.502 16.164 1.948 1.00 -0.14 H new ATOM 0 HZ2 LYS A 65 -1.689 14.718 1.586 1.00 -0.14 H new ATOM 0 HZ3 LYS A 65 -3.114 15.121 0.756 1.00 -0.14 H new ATOM 922 N ALA A 66 -4.933 7.760 0.628 1.00 -0.46 N ATOM 923 CA ALA A 66 -4.809 6.311 0.456 1.00 0.04 C ATOM 924 C ALA A 66 -4.569 6.003 -1.007 1.00 0.62 C ATOM 925 O ALA A 66 -3.565 5.384 -1.330 1.00 -0.50 O ATOM 926 CB ALA A 66 -6.048 5.559 1.012 1.00 -0.10 C ATOM 0 H ALA A 66 -5.752 8.071 1.150 1.00 -0.46 H new ATOM 0 HA ALA A 66 -3.956 5.956 1.034 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -5.919 4.487 0.866 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 -6.155 5.770 2.076 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 -6.942 5.892 0.485 1.00 -0.10 H new ATOM 932 N ALA A 67 -5.466 6.456 -1.914 1.00 -0.46 N ATOM 933 CA ALA A 67 -5.268 6.177 -3.337 1.00 0.04 C ATOM 934 C ALA A 67 -4.203 7.020 -4.012 1.00 0.62 C ATOM 935 O ALA A 67 -3.884 6.717 -5.151 1.00 -0.50 O ATOM 936 CB ALA A 67 -6.614 6.174 -4.108 1.00 -0.10 C ATOM 0 H ALA A 67 -6.301 6.996 -1.688 1.00 -0.46 H new ATOM 0 HA ALA A 67 -4.860 5.167 -3.378 1.00 0.04 H new ATOM 0 HB1 ALA A 67 -6.429 5.964 -5.161 1.00 -0.10 H new ATOM 0 HB2 ALA A 67 -7.269 5.407 -3.694 1.00 -0.10 H new ATOM 0 HB3 ALA A 67 -7.091 7.149 -4.011 1.00 -0.10 H new ATOM 942 N GLY A 68 -3.621 8.050 -3.356 1.00 -0.46 N ATOM 943 CA GLY A 68 -2.502 8.798 -3.931 1.00 0.04 C ATOM 944 C GLY A 68 -1.149 8.232 -3.564 1.00 0.62 C ATOM 945 O GLY A 68 -0.164 8.763 -4.055 1.00 -0.50 O ATOM 0 H GLY A 68 -3.913 8.373 -2.434 1.00 -0.46 H new ATOM 0 HA2 GLY A 68 -2.601 8.808 -5.016 1.00 0.04 H new ATOM 0 HA3 GLY A 68 -2.557 9.834 -3.596 1.00 0.04 H new ATOM 949 N LEU A 69 -1.024 7.178 -2.724 1.00 -0.46 N ATOM 950 CA LEU A 69 0.308 6.654 -2.417 1.00 0.04 C ATOM 951 C LEU A 69 1.058 6.164 -3.645 1.00 0.62 C ATOM 952 O LEU A 69 2.242 6.463 -3.711 1.00 -0.50 O ATOM 953 CB LEU A 69 0.305 5.520 -1.353 1.00 -0.06 C ATOM 954 CG LEU A 69 -0.182 5.925 0.069 1.00 -0.01 C ATOM 955 CD1 LEU A 69 -0.223 4.669 0.998 1.00 -0.11 C ATOM 956 CD2 LEU A 69 0.703 7.043 0.675 1.00 -0.11 C ATOM 0 H LEU A 69 -1.799 6.697 -2.268 1.00 -0.46 H new ATOM 0 HA LEU A 69 0.829 7.517 -2.002 1.00 0.04 H new ATOM 0 HB2 LEU A 69 -0.327 4.709 -1.716 1.00 -0.06 H new ATOM 0 HB3 LEU A 69 1.317 5.123 -1.270 1.00 -0.06 H new ATOM 0 HG LEU A 69 -1.191 6.328 -0.016 1.00 -0.01 H new ATOM 0 HD11 LEU A 69 -0.565 4.962 1.991 1.00 -0.11 H new ATOM 0 HD12 LEU A 69 -0.908 3.931 0.581 1.00 -0.11 H new ATOM 0 HD13 LEU A 69 0.775 4.237 1.071 1.00 -0.11 H new ATOM 0 HD21 LEU A 69 0.334 7.301 1.668 1.00 -0.11 H new ATOM 0 HD22 LEU A 69 1.732 6.692 0.750 1.00 -0.11 H new ATOM 0 HD23 LEU A 69 0.666 7.924 0.034 1.00 -0.11 H new ATOM 968 N PRO A 70 0.484 5.435 -4.635 1.00 -0.23 N ATOM 969 CA PRO A 70 1.275 5.037 -5.795 1.00 0.04 C ATOM 970 C PRO A 70 1.849 6.253 -6.477 1.00 0.53 C ATOM 971 O PRO A 70 3.037 6.293 -6.752 1.00 -0.50 O ATOM 972 CB PRO A 70 0.217 4.381 -6.725 1.00 -0.12 C ATOM 973 CG PRO A 70 -0.957 4.041 -5.777 1.00 -0.12 C ATOM 974 CD PRO A 70 -0.930 5.100 -4.652 1.00 -0.01 C ATOM 0 HA PRO A 70 2.111 4.385 -5.541 1.00 0.04 H new ATOM 0 HB2 PRO A 70 -0.094 5.062 -7.517 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 0.611 3.487 -7.209 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 -1.907 4.066 -6.311 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 -0.847 3.037 -5.368 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 -1.557 5.962 -4.879 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -1.272 4.700 -3.698 1.00 -0.01 H new ATOM 982 N SER A 71 0.978 7.253 -6.746 1.00 -0.46 N ATOM 983 CA SER A 71 1.401 8.430 -7.493 1.00 0.04 C ATOM 984 C SER A 71 2.430 9.191 -6.700 1.00 0.62 C ATOM 985 O SER A 71 3.421 9.640 -7.253 1.00 -0.50 O ATOM 986 CB SER A 71 0.173 9.350 -7.723 1.00 0.02 C ATOM 987 OG SER A 71 -0.852 8.579 -8.374 1.00 -0.55 O ATOM 0 H SER A 71 -0.000 7.258 -6.458 1.00 -0.46 H new ATOM 0 HA SER A 71 1.827 8.119 -8.447 1.00 0.04 H new ATOM 0 HB2 SER A 71 -0.192 9.741 -6.773 1.00 0.02 H new ATOM 0 HB3 SER A 71 0.450 10.208 -8.336 1.00 0.02 H new ATOM 0 HG SER A 71 -1.639 9.143 -8.527 1.00 -0.55 H new ATOM 993 N THR A 72 2.186 9.354 -5.383 1.00 -0.46 N ATOM 994 CA THR A 72 3.096 10.153 -4.573 1.00 0.04 C ATOM 995 C THR A 72 4.455 9.490 -4.590 1.00 0.62 C ATOM 996 O THR A 72 5.442 10.142 -4.894 1.00 -0.50 O ATOM 997 CB THR A 72 2.625 10.280 -3.096 1.00 0.17 C ATOM 998 OG1 THR A 72 1.340 10.920 -2.962 1.00 -0.55 O ATOM 999 CG2 THR A 72 3.624 11.158 -2.300 1.00 -0.19 C ATOM 0 H THR A 72 1.393 8.954 -4.882 1.00 -0.46 H new ATOM 0 HA THR A 72 3.128 11.157 -4.997 1.00 0.04 H new ATOM 0 HB THR A 72 2.563 9.259 -2.719 1.00 0.17 H new ATOM 0 HG1 THR A 72 0.640 10.322 -3.298 1.00 -0.55 H new ATOM 0 HG21 THR A 72 3.289 11.244 -1.266 1.00 -0.19 H new ATOM 0 HG22 THR A 72 4.612 10.698 -2.325 1.00 -0.19 H new ATOM 0 HG23 THR A 72 3.674 12.150 -2.749 1.00 -0.19 H new ATOM 1007 N CYS A 73 4.513 8.178 -4.264 1.00 -0.46 N ATOM 1008 CA CYS A 73 5.777 7.449 -4.339 1.00 0.04 C ATOM 1009 C CYS A 73 5.764 6.700 -5.650 1.00 0.62 C ATOM 1010 O CYS A 73 5.668 5.490 -5.597 1.00 -0.50 O ATOM 1011 CB CYS A 73 5.897 6.493 -3.122 1.00 -0.10 C ATOM 1012 SG CYS A 73 5.969 7.441 -1.568 1.00 0.82 S ATOM 0 H CYS A 73 3.715 7.623 -3.955 1.00 -0.46 H new ATOM 0 HA CYS A 73 6.640 8.113 -4.303 1.00 0.04 H new ATOM 0 HB2 CYS A 73 5.045 5.814 -3.101 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 6.792 5.879 -3.222 1.00 -0.10 H new ATOM 1017 N GLY A 74 5.858 7.394 -6.807 1.00 -0.46 N ATOM 1018 CA GLY A 74 5.828 6.718 -8.108 1.00 0.04 C ATOM 1019 C GLY A 74 6.320 5.283 -8.111 1.00 0.62 C ATOM 1020 O GLY A 74 7.527 5.098 -8.104 1.00 -0.50 O ATOM 0 H GLY A 74 5.954 8.408 -6.859 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 4.804 6.733 -8.482 1.00 0.04 H new ATOM 0 HA3 GLY A 74 6.433 7.292 -8.810 1.00 0.04 H new ATOM 1024 N VAL A 75 5.424 4.263 -8.123 1.00 -0.46 N ATOM 1025 CA VAL A 75 5.865 2.864 -8.189 1.00 0.04 C ATOM 1026 C VAL A 75 4.961 2.067 -9.115 1.00 0.62 C ATOM 1027 O VAL A 75 3.818 2.455 -9.296 1.00 -0.50 O ATOM 1028 CB VAL A 75 5.915 2.194 -6.785 1.00 -0.01 C ATOM 1029 CG1 VAL A 75 7.157 2.642 -5.959 1.00 -0.09 C ATOM 1030 CG2 VAL A 75 4.599 2.419 -5.986 1.00 -0.09 C ATOM 0 H VAL A 75 4.412 4.389 -8.088 1.00 -0.46 H new ATOM 0 HA VAL A 75 6.880 2.866 -8.586 1.00 0.04 H new ATOM 0 HB VAL A 75 6.015 1.123 -6.961 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 7.146 2.147 -4.988 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 8.067 2.371 -6.494 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 7.128 3.722 -5.816 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 4.677 1.935 -5.013 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 4.436 3.488 -5.848 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 3.761 1.992 -6.537 1.00 -0.09 H new ATOM 1040 N ASN A 76 5.445 0.951 -9.717 1.00 -0.46 N ATOM 1041 CA ASN A 76 4.657 0.228 -10.726 1.00 0.04 C ATOM 1042 C ASN A 76 3.766 -0.819 -10.085 1.00 0.62 C ATOM 1043 O ASN A 76 3.968 -1.999 -10.328 1.00 -0.50 O ATOM 1044 CB ASN A 76 5.630 -0.397 -11.767 1.00 -0.09 C ATOM 1045 CG ASN A 76 4.910 -0.931 -12.983 1.00 0.68 C ATOM 1046 OD1 ASN A 76 4.065 -0.229 -13.523 1.00 -0.47 O ATOM 1047 ND2 ASN A 76 5.206 -2.153 -13.471 1.00 -0.87 N ATOM 0 H ASN A 76 6.360 0.545 -9.521 1.00 -0.46 H new ATOM 0 HA ASN A 76 3.991 0.924 -11.236 1.00 0.04 H new ATOM 0 HB2 ASN A 76 6.355 0.355 -12.079 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 6.191 -1.205 -11.297 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 4.724 -2.502 -14.299 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 5.912 -2.728 -13.012 1.00 -0.87 H new ATOM 1054 N ILE A 77 2.771 -0.389 -9.272 1.00 -0.46 N ATOM 1055 CA ILE A 77 1.876 -1.319 -8.565 1.00 0.04 C ATOM 1056 C ILE A 77 0.534 -1.418 -9.275 1.00 0.62 C ATOM 1057 O ILE A 77 0.047 -0.354 -9.621 1.00 -0.50 O ATOM 1058 CB ILE A 77 1.702 -0.991 -7.046 1.00 -0.01 C ATOM 1059 CG1 ILE A 77 1.168 0.457 -6.792 1.00 -0.05 C ATOM 1060 CG2 ILE A 77 3.045 -1.226 -6.293 1.00 -0.09 C ATOM 1061 CD1 ILE A 77 1.090 0.875 -5.296 1.00 -0.09 C ATOM 0 H ILE A 77 2.573 0.596 -9.094 1.00 -0.46 H new ATOM 0 HA ILE A 77 2.360 -2.295 -8.596 1.00 0.04 H new ATOM 0 HB ILE A 77 0.943 -1.669 -6.655 1.00 -0.01 H new ATOM 0 HG12 ILE A 77 1.811 1.163 -7.318 1.00 -0.05 H new ATOM 0 HG13 ILE A 77 0.174 0.544 -7.230 1.00 -0.05 H new ATOM 0 HG21 ILE A 77 2.915 -0.995 -5.236 1.00 -0.09 H new ATOM 0 HG22 ILE A 77 3.346 -2.268 -6.402 1.00 -0.09 H new ATOM 0 HG23 ILE A 77 3.816 -0.580 -6.713 1.00 -0.09 H new ATOM 0 HD11 ILE A 77 0.709 1.894 -5.222 1.00 -0.09 H new ATOM 0 HD12 ILE A 77 0.422 0.198 -4.763 1.00 -0.09 H new ATOM 0 HD13 ILE A 77 2.084 0.827 -4.852 1.00 -0.09 H new ATOM 1073 N PRO A 78 -0.126 -2.580 -9.543 1.00 -0.23 N ATOM 1074 CA PRO A 78 -1.435 -2.518 -10.185 1.00 0.04 C ATOM 1075 C PRO A 78 -2.451 -1.884 -9.261 1.00 0.53 C ATOM 1076 O PRO A 78 -3.176 -0.990 -9.668 1.00 -0.50 O ATOM 1077 CB PRO A 78 -1.764 -4.020 -10.398 1.00 -0.12 C ATOM 1078 CG PRO A 78 -0.417 -4.758 -10.240 1.00 -0.12 C ATOM 1079 CD PRO A 78 0.379 -3.913 -9.219 1.00 -0.01 C ATOM 0 HA PRO A 78 -1.448 -1.926 -11.100 1.00 0.04 H new ATOM 0 HB2 PRO A 78 -2.493 -4.371 -9.667 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 -2.194 -4.193 -11.385 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 -0.564 -5.777 -9.881 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 0.110 -4.828 -11.192 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 0.169 -4.199 -8.188 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 1.457 -3.996 -9.360 1.00 -0.01 H new ATOM 1087 N TYR A 79 -2.513 -2.369 -7.999 1.00 -0.46 N ATOM 1088 CA TYR A 79 -3.498 -1.864 -7.048 1.00 0.04 C ATOM 1089 C TYR A 79 -3.241 -0.405 -6.772 1.00 0.62 C ATOM 1090 O TYR A 79 -2.098 -0.007 -6.909 1.00 -0.50 O ATOM 1091 CB TYR A 79 -3.491 -2.671 -5.717 1.00 -0.10 C ATOM 1092 CG TYR A 79 -2.097 -2.994 -5.149 1.00 -0.03 C ATOM 1093 CD1 TYR A 79 -1.266 -2.015 -4.586 1.00 0.00 C ATOM 1094 CD2 TYR A 79 -1.617 -4.302 -5.179 1.00 0.00 C ATOM 1095 CE1 TYR A 79 -0.027 -2.335 -4.033 1.00 -0.26 C ATOM 1096 CE2 TYR A 79 -0.386 -4.636 -4.613 1.00 -0.26 C ATOM 1097 CZ TYR A 79 0.444 -3.659 -4.091 1.00 0.46 C ATOM 1098 OH TYR A 79 1.714 -4.006 -3.632 1.00 -0.53 O ATOM 0 H TYR A 79 -1.899 -3.096 -7.632 1.00 -0.46 H new ATOM 0 HA TYR A 79 -4.484 -1.984 -7.496 1.00 0.04 H new ATOM 0 HB2 TYR A 79 -4.049 -2.109 -4.968 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 -4.026 -3.607 -5.877 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 -1.594 -0.986 -4.581 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.210 -5.073 -5.650 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.570 -1.568 -3.561 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 -0.077 -5.670 -4.582 1.00 -0.26 H new ATOM 0 HH TYR A 79 1.855 -4.968 -3.756 1.00 -0.53 H new ATOM 1108 N LYS A 80 -4.260 0.396 -6.377 1.00 -0.46 N ATOM 1109 CA LYS A 80 -3.995 1.777 -5.974 1.00 0.04 C ATOM 1110 C LYS A 80 -4.137 1.936 -4.482 1.00 0.62 C ATOM 1111 O LYS A 80 -4.449 3.027 -4.048 1.00 -0.50 O ATOM 1112 CB LYS A 80 -4.883 2.803 -6.737 1.00 -0.10 C ATOM 1113 CG LYS A 80 -4.833 2.619 -8.280 1.00 -0.16 C ATOM 1114 CD LYS A 80 -3.415 2.865 -8.878 1.00 -0.18 C ATOM 1115 CE LYS A 80 -3.384 2.752 -10.430 1.00 -0.04 C ATOM 1116 NZ LYS A 80 -3.753 1.390 -10.910 1.00 -0.14 N ATOM 0 H LYS A 80 -5.239 0.112 -6.333 1.00 -0.46 H new ATOM 0 HA LYS A 80 -2.963 1.996 -6.248 1.00 0.04 H new ATOM 0 HB2 LYS A 80 -5.914 2.706 -6.398 1.00 -0.10 H new ATOM 0 HB3 LYS A 80 -4.559 3.813 -6.486 1.00 -0.10 H new ATOM 0 HG2 LYS A 80 -5.156 1.609 -8.530 1.00 -0.16 H new ATOM 0 HG3 LYS A 80 -5.541 3.305 -8.745 1.00 -0.16 H new ATOM 0 HD2 LYS A 80 -3.069 3.856 -8.584 1.00 -0.18 H new ATOM 0 HD3 LYS A 80 -2.717 2.144 -8.452 1.00 -0.18 H new ATOM 0 HE2 LYS A 80 -4.070 3.483 -10.858 1.00 -0.04 H new ATOM 0 HE3 LYS A 80 -2.386 3.003 -10.790 1.00 -0.04 H new ATOM 0 HZ1 LYS A 80 -3.331 1.225 -11.846 1.00 -0.14 H new ATOM 0 HZ2 LYS A 80 -3.398 0.678 -10.240 1.00 -0.14 H new ATOM 0 HZ3 LYS A 80 -4.788 1.315 -10.979 1.00 -0.14 H new ATOM 1130 N ILE A 81 -3.915 0.890 -3.663 1.00 -0.46 N ATOM 1131 CA ILE A 81 -3.984 1.065 -2.215 1.00 0.04 C ATOM 1132 C ILE A 81 -5.291 1.723 -1.829 1.00 0.62 C ATOM 1133 O ILE A 81 -5.303 2.616 -0.997 1.00 -0.50 O ATOM 1134 CB ILE A 81 -2.703 1.808 -1.716 1.00 -0.01 C ATOM 1135 CG1 ILE A 81 -1.447 1.249 -2.463 1.00 -0.05 C ATOM 1136 CG2 ILE A 81 -2.561 1.627 -0.189 1.00 -0.09 C ATOM 1137 CD1 ILE A 81 -0.061 1.514 -1.809 1.00 -0.09 C ATOM 0 H ILE A 81 -3.693 -0.055 -3.975 1.00 -0.46 H new ATOM 0 HA ILE A 81 -3.988 0.101 -1.706 1.00 0.04 H new ATOM 0 HB ILE A 81 -2.787 2.873 -1.931 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 -1.570 0.171 -2.572 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 -1.434 1.672 -3.468 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 -1.667 2.146 0.157 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 -3.437 2.041 0.310 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 -2.478 0.566 0.045 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 0.723 1.075 -2.426 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 0.102 2.588 -1.725 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 -0.035 1.065 -0.816 1.00 -0.09 H new ATOM 1149 N SER A 82 -6.415 1.288 -2.447 1.00 -0.46 N ATOM 1150 CA SER A 82 -7.718 1.882 -2.149 1.00 0.04 C ATOM 1151 C SER A 82 -8.506 0.907 -1.295 1.00 0.62 C ATOM 1152 O SER A 82 -8.403 -0.266 -1.614 1.00 -0.50 O ATOM 1153 CB SER A 82 -8.476 2.152 -3.472 1.00 0.02 C ATOM 1154 OG SER A 82 -9.669 2.905 -3.193 1.00 -0.55 O ATOM 0 H SER A 82 -6.436 0.541 -3.141 1.00 -0.46 H new ATOM 0 HA SER A 82 -7.591 2.824 -1.616 1.00 0.04 H new ATOM 0 HB2 SER A 82 -7.838 2.703 -4.164 1.00 0.02 H new ATOM 0 HB3 SER A 82 -8.732 1.210 -3.956 1.00 0.02 H new ATOM 0 HG SER A 82 -10.149 3.078 -4.029 1.00 -0.55 H new ATOM 1160 N PRO A 83 -9.273 1.261 -0.236 1.00 -0.23 N ATOM 1161 CA PRO A 83 -9.955 0.235 0.551 1.00 0.04 C ATOM 1162 C PRO A 83 -11.093 -0.388 -0.237 1.00 0.53 C ATOM 1163 O PRO A 83 -12.250 -0.157 0.076 1.00 -0.50 O ATOM 1164 CB PRO A 83 -10.400 1.070 1.781 1.00 -0.12 C ATOM 1165 CG PRO A 83 -10.567 2.498 1.207 1.00 -0.12 C ATOM 1166 CD PRO A 83 -9.402 2.640 0.202 1.00 -0.01 C ATOM 0 HA PRO A 83 -9.358 -0.634 0.828 1.00 0.04 H new ATOM 0 HB2 PRO A 83 -11.332 0.696 2.204 1.00 -0.12 H new ATOM 0 HB3 PRO A 83 -9.655 1.042 2.576 1.00 -0.12 H new ATOM 0 HG2 PRO A 83 -11.533 2.620 0.717 1.00 -0.12 H new ATOM 0 HG3 PRO A 83 -10.510 3.252 1.992 1.00 -0.12 H new ATOM 0 HD2 PRO A 83 -9.640 3.317 -0.619 1.00 -0.01 H new ATOM 0 HD3 PRO A 83 -8.492 3.015 0.670 1.00 -0.01 H new ATOM 1174 N SER A 84 -10.769 -1.198 -1.274 1.00 -0.46 N ATOM 1175 CA SER A 84 -11.794 -1.766 -2.156 1.00 0.04 C ATOM 1176 C SER A 84 -11.184 -2.803 -3.079 1.00 0.62 C ATOM 1177 O SER A 84 -11.674 -3.920 -3.113 1.00 -0.50 O ATOM 1178 CB SER A 84 -12.490 -0.691 -3.042 1.00 0.02 C ATOM 1179 OG SER A 84 -13.020 0.411 -2.289 1.00 -0.55 O ATOM 0 H SER A 84 -9.814 -1.465 -1.511 1.00 -0.46 H new ATOM 0 HA SER A 84 -12.539 -2.215 -1.499 1.00 0.04 H new ATOM 0 HB2 SER A 84 -11.774 -0.312 -3.771 1.00 0.02 H new ATOM 0 HB3 SER A 84 -13.298 -1.161 -3.603 1.00 0.02 H new ATOM 0 HG SER A 84 -13.120 0.148 -1.350 1.00 -0.55 H new ATOM 1185 N THR A 85 -10.112 -2.445 -3.828 1.00 -0.46 N ATOM 1186 CA THR A 85 -9.450 -3.409 -4.708 1.00 0.04 C ATOM 1187 C THR A 85 -9.408 -4.792 -4.090 1.00 0.62 C ATOM 1188 O THR A 85 -8.763 -4.948 -3.064 1.00 -0.50 O ATOM 1189 CB THR A 85 -8.001 -2.955 -5.070 1.00 0.17 C ATOM 1190 OG1 THR A 85 -7.371 -3.885 -5.965 1.00 -0.55 O ATOM 1191 CG2 THR A 85 -7.087 -2.692 -3.839 1.00 -0.19 C ATOM 0 H THR A 85 -9.702 -1.511 -3.834 1.00 -0.46 H new ATOM 0 HA THR A 85 -10.042 -3.452 -5.622 1.00 0.04 H new ATOM 0 HB THR A 85 -8.123 -1.994 -5.570 1.00 0.17 H new ATOM 0 HG1 THR A 85 -6.993 -4.629 -5.451 1.00 -0.55 H new ATOM 0 HG21 THR A 85 -6.099 -2.381 -4.179 1.00 -0.19 H new ATOM 0 HG22 THR A 85 -7.523 -1.905 -3.223 1.00 -0.19 H new ATOM 0 HG23 THR A 85 -6.997 -3.605 -3.251 1.00 -0.19 H new ATOM 1199 N ASP A 86 -10.051 -5.829 -4.671 1.00 -0.46 N ATOM 1200 CA ASP A 86 -9.855 -7.180 -4.147 1.00 0.04 C ATOM 1201 C ASP A 86 -8.686 -7.787 -4.885 1.00 0.62 C ATOM 1202 O ASP A 86 -8.507 -7.488 -6.056 1.00 -0.50 O ATOM 1203 CB ASP A 86 -11.104 -8.091 -4.297 1.00 -0.40 C ATOM 1204 CG ASP A 86 -12.049 -7.888 -3.142 1.00 0.71 C ATOM 1205 OD1 ASP A 86 -11.758 -8.458 -2.054 1.00 -0.72 O ATOM 1206 OD2 ASP A 86 -13.069 -7.172 -3.309 1.00 -0.72 O ATOM 0 H ASP A 86 -10.682 -5.755 -5.469 1.00 -0.46 H new ATOM 0 HA ASP A 86 -9.669 -7.107 -3.076 1.00 0.04 H new ATOM 0 HB2 ASP A 86 -11.613 -7.868 -5.234 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 -10.796 -9.136 -4.343 1.00 -0.40 H new ATOM 1211 N CYS A 87 -7.874 -8.644 -4.224 1.00 -0.46 N ATOM 1212 CA CYS A 87 -6.853 -9.394 -4.952 1.00 0.04 C ATOM 1213 C CYS A 87 -6.706 -10.789 -4.385 1.00 0.62 C ATOM 1214 O CYS A 87 -5.598 -11.289 -4.267 1.00 -0.50 O ATOM 1215 CB CYS A 87 -5.494 -8.680 -4.827 1.00 -0.10 C ATOM 1216 SG CYS A 87 -5.561 -6.942 -5.342 1.00 0.82 S ATOM 0 H CYS A 87 -7.910 -8.823 -3.220 1.00 -0.46 H new ATOM 0 HA CYS A 87 -7.160 -9.454 -5.996 1.00 0.04 H new ATOM 0 HB2 CYS A 87 -5.154 -8.735 -3.793 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 -4.756 -9.205 -5.433 1.00 -0.10 H new ATOM 1221 N SER A 88 -7.833 -11.429 -4.019 1.00 -0.46 N ATOM 1222 CA SER A 88 -7.761 -12.771 -3.446 1.00 0.04 C ATOM 1223 C SER A 88 -7.633 -13.793 -4.560 1.00 0.62 C ATOM 1224 O SER A 88 -7.272 -14.920 -4.261 1.00 -0.50 O ATOM 1225 CB SER A 88 -8.972 -13.048 -2.499 1.00 0.02 C ATOM 1226 OG SER A 88 -10.087 -12.154 -2.706 1.00 -0.55 O ATOM 0 H SER A 88 -8.774 -11.046 -4.109 1.00 -0.46 H new ATOM 0 HA SER A 88 -6.872 -12.852 -2.821 1.00 0.04 H new ATOM 0 HB2 SER A 88 -9.309 -14.074 -2.645 1.00 0.02 H new ATOM 0 HB3 SER A 88 -8.639 -12.966 -1.464 1.00 0.02 H new ATOM 0 HG SER A 88 -10.763 -12.308 -2.013 1.00 -0.55 H new ATOM 1232 N LYS A 89 -7.914 -13.440 -5.839 1.00 -0.46 N ATOM 1233 CA LYS A 89 -7.850 -14.422 -6.920 1.00 0.04 C ATOM 1234 C LYS A 89 -7.520 -13.698 -8.212 1.00 0.62 C ATOM 1235 O LYS A 89 -8.258 -13.798 -9.179 1.00 -0.50 O ATOM 1236 CB LYS A 89 -9.179 -15.238 -6.979 1.00 -0.10 C ATOM 1237 CG LYS A 89 -10.470 -14.357 -7.023 1.00 -0.16 C ATOM 1238 CD LYS A 89 -10.996 -13.969 -5.605 1.00 -0.18 C ATOM 1239 CE LYS A 89 -12.156 -12.937 -5.672 1.00 -0.04 C ATOM 1240 NZ LYS A 89 -12.583 -12.536 -4.302 1.00 -0.14 N ATOM 0 H LYS A 89 -8.181 -12.500 -6.131 1.00 -0.46 H new ATOM 0 HA LYS A 89 -7.060 -15.152 -6.745 1.00 0.04 H new ATOM 0 HB2 LYS A 89 -9.160 -15.879 -7.860 1.00 -0.10 H new ATOM 0 HB3 LYS A 89 -9.229 -15.893 -6.109 1.00 -0.10 H new ATOM 0 HG2 LYS A 89 -10.263 -13.448 -7.588 1.00 -0.16 H new ATOM 0 HG3 LYS A 89 -11.252 -14.895 -7.559 1.00 -0.16 H new ATOM 0 HD2 LYS A 89 -11.339 -14.866 -5.089 1.00 -0.18 H new ATOM 0 HD3 LYS A 89 -10.177 -13.555 -5.016 1.00 -0.18 H new ATOM 0 HE2 LYS A 89 -11.835 -12.058 -6.230 1.00 -0.04 H new ATOM 0 HE3 LYS A 89 -13.001 -13.366 -6.211 1.00 -0.04 H new ATOM 0 HZ1 LYS A 89 -13.138 -11.658 -4.354 1.00 -0.14 H new ATOM 0 HZ2 LYS A 89 -13.166 -13.290 -3.885 1.00 -0.14 H new ATOM 0 HZ3 LYS A 89 -11.743 -12.379 -3.709 1.00 -0.14 H new ATOM 1254 N VAL A 90 -6.402 -12.934 -8.233 1.00 -0.46 N ATOM 1255 CA VAL A 90 -6.078 -12.158 -9.435 1.00 0.04 C ATOM 1256 C VAL A 90 -5.886 -13.095 -10.607 1.00 0.62 C ATOM 1257 O VAL A 90 -5.218 -14.104 -10.436 1.00 -0.50 O ATOM 1258 CB VAL A 90 -4.832 -11.232 -9.285 1.00 -0.01 C ATOM 1259 CG1 VAL A 90 -4.302 -10.740 -10.662 1.00 -0.09 C ATOM 1260 CG2 VAL A 90 -5.165 -10.021 -8.373 1.00 -0.09 C ATOM 0 H VAL A 90 -5.740 -12.844 -7.463 1.00 -0.46 H new ATOM 0 HA VAL A 90 -6.924 -11.492 -9.604 1.00 0.04 H new ATOM 0 HB VAL A 90 -4.042 -11.823 -8.822 1.00 -0.01 H new ATOM 0 HG11 VAL A 90 -3.434 -10.098 -10.510 1.00 -0.09 H new ATOM 0 HG12 VAL A 90 -4.016 -11.599 -11.270 1.00 -0.09 H new ATOM 0 HG13 VAL A 90 -5.084 -10.178 -11.173 1.00 -0.09 H new ATOM 0 HG21 VAL A 90 -4.285 -9.384 -8.278 1.00 -0.09 H new ATOM 0 HG22 VAL A 90 -5.982 -9.448 -8.812 1.00 -0.09 H new ATOM 0 HG23 VAL A 90 -5.462 -10.379 -7.387 1.00 -0.09 H new ATOM 1270 N GLN A 91 -6.456 -12.762 -11.791 1.00 -0.46 N ATOM 1271 CA GLN A 91 -6.227 -13.569 -12.990 1.00 0.04 C ATOM 1272 C GLN A 91 -5.082 -12.949 -13.763 1.00 0.52 C ATOM 1273 O GLN A 91 -3.968 -12.843 -13.178 1.00 -0.71 O ATOM 1274 CB GLN A 91 -7.548 -13.625 -13.812 1.00 -0.10 C ATOM 1275 CG GLN A 91 -8.718 -14.179 -12.946 1.00 -0.10 C ATOM 1276 CD GLN A 91 -10.008 -14.183 -13.734 1.00 0.68 C ATOM 1277 OE1 GLN A 91 -10.492 -13.108 -14.066 1.00 -0.47 O ATOM 1278 NE2 GLN A 91 -10.603 -15.350 -14.057 1.00 -0.87 N ATOM 1279 OXT GLN A 91 -5.275 -12.558 -14.949 1.00 -0.71 O ATOM 0 H GLN A 91 -7.064 -11.955 -11.929 1.00 -0.46 H new ATOM 0 HA GLN A 91 -5.951 -14.595 -12.747 1.00 0.04 H new ATOM 0 HB2 GLN A 91 -7.799 -12.628 -14.174 1.00 -0.10 H new ATOM 0 HB3 GLN A 91 -7.409 -14.257 -14.689 1.00 -0.10 H new ATOM 0 HG2 GLN A 91 -8.485 -15.191 -12.615 1.00 -0.10 H new ATOM 0 HG3 GLN A 91 -8.835 -13.569 -12.050 1.00 -0.10 H new ATOM 0 HE21 GLN A 91 -10.182 -16.234 -13.770 1.00 -0.87 H new ATOM 0 HE22 GLN A 91 -11.474 -15.349 -14.588 1.00 -0.87 H new TER 1288 GLN A 91