USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 852 hydrogens (5 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 NoAdj-H: A 10 CSP H2 : A 10 CSP N : A 9 PHE C :(H bumps) USER MOD NoAdj-H: A 10 CSP H : A 10 CSP N : A 9 PHE C :(H bumps) USER MOD Set 1.1: A 59 GLN : amide:sc= 1.74 K(o=2.3,f=-5.4!) USER MOD Set 1.2: A 84 TYR OH : rot 15:sc= 0.578 USER MOD Set 2.1: A 5 HIS : no HD1:sc= 0.0438 X(o=0.11,f=0) USER MOD Set 2.2: A 7 TYR OH : rot 74:sc= 0.0629 USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.0989) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.104 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.103) USER MOD Single : A 11 SER OG : rot 180:sc= 0.00299 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 92:sc= 0.0021 USER MOD Single : A 16 THR OG1 : rot -114:sc= 0.545 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0981) USER MOD Single : A 23 MET CE :methyl -127:sc=-0.00459 (180deg=-0.323) USER MOD Single : A 26 GLN : amide:sc= -1.25 X(o=-1.2,f=-1.3) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.083) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0769) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 167:sc= 0 (180deg=-0.0857) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -123:sc= 0.0805 (180deg=-0.0937) USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= -0.0109 (180deg=-0.193) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0.317 X(o=0.32,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.738 16.407 9.310 1.00 0.00 N ATOM 2 CA MET A 1 -8.828 15.688 10.213 1.00 0.00 C ATOM 3 C MET A 1 -7.503 15.526 9.465 1.00 0.00 C ATOM 4 O MET A 1 -7.556 15.281 8.261 1.00 0.00 O ATOM 5 CB MET A 1 -9.399 14.305 10.532 1.00 0.00 C ATOM 6 CG MET A 1 -8.720 13.666 11.746 1.00 0.00 C ATOM 7 SD MET A 1 -9.098 14.500 13.331 1.00 0.00 S ATOM 8 CE MET A 1 -10.779 13.970 13.580 1.00 0.00 C ATOM 0 H1 MET A 1 -10.650 15.909 9.267 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.888 17.373 9.665 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.321 16.449 8.358 1.00 0.00 H new ATOM 0 HA MET A 1 -8.696 16.232 11.148 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.469 14.390 10.719 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.278 13.655 9.666 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.026 12.622 11.814 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.641 13.672 11.592 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.101 14.243 14.585 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.425 14.454 12.848 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.841 12.888 13.460 1.00 0.00 H new ATOM 20 N GLU A 2 -6.388 15.760 10.151 1.00 0.00 N ATOM 21 CA GLU A 2 -5.039 15.678 9.572 1.00 0.00 C ATOM 22 C GLU A 2 -4.635 14.209 9.432 1.00 0.00 C ATOM 23 O GLU A 2 -4.443 13.513 10.427 1.00 0.00 O ATOM 24 CB GLU A 2 -4.128 16.437 10.539 1.00 0.00 C ATOM 25 CG GLU A 2 -2.711 16.662 10.008 1.00 0.00 C ATOM 26 CD GLU A 2 -1.928 17.497 11.024 1.00 0.00 C ATOM 27 OE1 GLU A 2 -2.055 18.737 10.935 1.00 0.00 O ATOM 28 OE2 GLU A 2 -1.275 16.866 11.882 1.00 0.00 O ATOM 0 H GLU A 2 -6.390 16.016 11.138 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.977 16.114 8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.579 17.403 10.764 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.071 15.885 11.477 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.214 15.706 9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.746 17.174 9.046 1.00 0.00 H new ATOM 35 N LYS A 3 -4.871 13.694 8.228 1.00 0.00 N ATOM 36 CA LYS A 3 -4.634 12.275 7.925 1.00 0.00 C ATOM 37 C LYS A 3 -3.967 12.091 6.561 1.00 0.00 C ATOM 38 O LYS A 3 -4.123 12.918 5.663 1.00 0.00 O ATOM 39 CB LYS A 3 -5.949 11.491 7.895 1.00 0.00 C ATOM 40 CG LYS A 3 -6.522 11.252 9.293 1.00 0.00 C ATOM 41 CD LYS A 3 -7.681 10.256 9.215 1.00 0.00 C ATOM 42 CE LYS A 3 -8.269 9.960 10.595 1.00 0.00 C ATOM 43 NZ LYS A 3 -9.409 9.042 10.459 1.00 0.00 N ATOM 0 H LYS A 3 -5.227 14.236 7.441 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.981 11.903 8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.679 12.035 7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.785 10.532 7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.745 10.868 9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.868 12.193 9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.460 10.655 8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.333 9.328 8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.508 9.518 11.238 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.590 10.887 11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.808 8.842 11.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -10.138 9.480 9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.089 8.154 10.022 1.00 0.00 H new ATOM 57 N LYS A 4 -3.279 10.957 6.467 1.00 0.00 N ATOM 58 CA LYS A 4 -2.606 10.520 5.236 1.00 0.00 C ATOM 59 C LYS A 4 -3.197 9.217 4.694 1.00 0.00 C ATOM 60 O LYS A 4 -3.717 8.387 5.439 1.00 0.00 O ATOM 61 CB LYS A 4 -1.107 10.384 5.516 1.00 0.00 C ATOM 62 CG LYS A 4 -0.495 11.762 5.778 1.00 0.00 C ATOM 63 CD LYS A 4 0.874 11.650 6.451 1.00 0.00 C ATOM 64 CE LYS A 4 1.404 13.026 6.863 1.00 0.00 C ATOM 65 NZ LYS A 4 1.635 13.876 5.686 1.00 0.00 N ATOM 0 H LYS A 4 -3.169 10.307 7.245 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.763 11.269 4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.947 9.736 6.378 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.612 9.913 4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.395 12.302 4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.165 12.345 6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.799 11.009 7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.579 11.175 5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.691 13.509 7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.334 12.910 7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.104 14.756 5.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.240 13.372 5.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.725 14.102 5.237 1.00 0.00 H new ATOM 79 N HIS A 5 -3.139 9.101 3.371 1.00 0.00 N ATOM 80 CA HIS A 5 -3.739 8.004 2.598 1.00 0.00 C ATOM 81 C HIS A 5 -2.695 7.027 2.054 1.00 0.00 C ATOM 82 O HIS A 5 -1.769 7.381 1.325 1.00 0.00 O ATOM 83 CB HIS A 5 -4.598 8.568 1.465 1.00 0.00 C ATOM 84 CG HIS A 5 -5.867 9.242 1.992 1.00 0.00 C ATOM 85 ND1 HIS A 5 -7.060 8.664 2.092 1.00 0.00 N ATOM 86 CD2 HIS A 5 -6.011 10.586 2.316 1.00 0.00 C ATOM 87 CE1 HIS A 5 -7.896 9.643 2.428 1.00 0.00 C ATOM 88 NE2 HIS A 5 -7.294 10.818 2.582 1.00 0.00 N ATOM 0 H HIS A 5 -2.661 9.785 2.784 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.371 7.435 3.280 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.015 9.289 0.892 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.871 7.764 0.782 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.217 11.317 2.347 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -8.958 9.497 2.562 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -7.722 11.705 2.847 1.00 0.00 H new ATOM 96 N ILE A 6 -2.847 5.793 2.524 1.00 0.00 N ATOM 97 CA ILE A 6 -2.002 4.643 2.172 1.00 0.00 C ATOM 98 C ILE A 6 -2.916 3.648 1.453 1.00 0.00 C ATOM 99 O ILE A 6 -3.708 2.931 2.061 1.00 0.00 O ATOM 100 CB ILE A 6 -1.362 4.035 3.421 1.00 0.00 C ATOM 101 CG1 ILE A 6 -0.553 5.077 4.194 1.00 0.00 C ATOM 102 CG2 ILE A 6 -0.486 2.839 3.040 1.00 0.00 C ATOM 103 CD1 ILE A 6 -0.154 4.660 5.611 1.00 0.00 C ATOM 0 H ILE A 6 -3.586 5.551 3.184 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.173 4.935 1.527 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.161 3.687 4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.351 5.306 3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.134 5.997 4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.037 2.416 3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.097 2.082 2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.301 3.166 2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.416 5.462 6.080 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.051 4.461 6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.458 3.759 5.566 1.00 0.00 H new ATOM 115 N TYR A 7 -2.793 3.645 0.128 1.00 0.00 N ATOM 116 CA TYR A 7 -3.601 2.765 -0.727 1.00 0.00 C ATOM 117 C TYR A 7 -2.767 1.644 -1.354 1.00 0.00 C ATOM 118 O TYR A 7 -1.696 1.851 -1.923 1.00 0.00 O ATOM 119 CB TYR A 7 -4.355 3.542 -1.807 1.00 0.00 C ATOM 120 CG TYR A 7 -5.373 4.578 -1.324 1.00 0.00 C ATOM 121 CD1 TYR A 7 -6.133 4.418 -0.172 1.00 0.00 C ATOM 122 CD2 TYR A 7 -5.595 5.647 -2.185 1.00 0.00 C ATOM 123 CE1 TYR A 7 -7.125 5.343 0.130 1.00 0.00 C ATOM 124 CE2 TYR A 7 -6.572 6.588 -1.882 1.00 0.00 C ATOM 125 CZ TYR A 7 -7.340 6.408 -0.737 1.00 0.00 C ATOM 126 OH TYR A 7 -8.425 7.212 -0.573 1.00 0.00 O ATOM 0 H TYR A 7 -2.142 4.242 -0.382 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.340 2.304 -0.071 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.623 4.051 -2.434 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.875 2.825 -2.442 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.954 3.580 0.485 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.010 5.746 -3.087 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.720 5.236 1.025 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.731 7.442 -2.523 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.287 7.793 0.204 1.00 0.00 H new ATOM 136 N LEU A 8 -3.290 0.440 -1.144 1.00 0.00 N ATOM 137 CA LEU A 8 -2.687 -0.825 -1.589 1.00 0.00 C ATOM 138 C LEU A 8 -3.413 -1.358 -2.826 1.00 0.00 C ATOM 139 O LEU A 8 -4.635 -1.274 -2.948 1.00 0.00 O ATOM 140 CB LEU A 8 -2.728 -1.896 -0.497 1.00 0.00 C ATOM 141 CG LEU A 8 -1.721 -1.679 0.634 1.00 0.00 C ATOM 142 CD1 LEU A 8 -2.254 -0.664 1.648 1.00 0.00 C ATOM 143 CD2 LEU A 8 -1.437 -3.004 1.344 1.00 0.00 C ATOM 0 H LEU A 8 -4.170 0.307 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.645 -0.610 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.732 -1.928 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.543 -2.869 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.799 -1.292 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.522 -0.525 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.433 0.289 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.187 -1.031 2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.719 -2.840 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.363 -3.400 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.026 -3.718 0.631 1.00 0.00 H new ATOM 155 N PHE A 9 -2.588 -1.839 -3.752 1.00 0.00 N ATOM 156 CA PHE A 9 -3.044 -2.364 -5.048 1.00 0.00 C ATOM 157 C PHE A 9 -2.456 -3.738 -5.373 1.00 0.00 C ATOM 158 O PHE A 9 -1.279 -4.017 -5.153 1.00 0.00 O ATOM 159 CB PHE A 9 -2.722 -1.364 -6.160 1.00 0.00 C ATOM 160 CG PHE A 9 -3.538 -0.075 -6.047 1.00 0.00 C ATOM 161 CD1 PHE A 9 -4.798 0.000 -6.629 1.00 0.00 C ATOM 162 CD2 PHE A 9 -3.009 1.015 -5.366 1.00 0.00 C ATOM 163 CE1 PHE A 9 -5.517 1.188 -6.567 1.00 0.00 C ATOM 164 CE2 PHE A 9 -3.719 2.209 -5.312 1.00 0.00 C ATOM 165 CZ PHE A 9 -4.973 2.283 -5.906 1.00 0.00 C ATOM 0 H PHE A 9 -1.576 -1.878 -3.629 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.124 -2.498 -4.979 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.660 -1.121 -6.129 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.914 -1.828 -7.127 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.217 -0.862 -7.128 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.048 0.935 -4.880 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.491 1.260 -7.029 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.300 3.071 -4.813 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.533 3.205 -5.853 1.00 0.00 H new HETATM 175 N CSP A 10 -3.403 -4.608 -5.717 1.00 0.00 N HETATM 176 CA CSP A 10 -3.190 -5.972 -6.221 1.00 0.00 C HETATM 177 CB CSP A 10 -2.997 -7.003 -5.106 1.00 0.00 C HETATM 178 SG CSP A 10 -4.469 -7.562 -4.173 1.00 0.00 S HETATM 179 C CSP A 10 -4.376 -6.339 -7.115 1.00 0.00 C HETATM 180 O CSP A 10 -5.435 -5.726 -6.997 1.00 0.00 O HETATM 181 P CSP A 10 -4.505 -9.652 -4.631 1.00 0.00 P HETATM 182 O1P CSP A 10 -3.424 -9.991 -5.583 1.00 0.00 O HETATM 183 O2P CSP A 10 -5.934 -9.957 -4.865 1.00 0.00 O HETATM 184 O3P CSP A 10 -4.079 -10.413 -3.278 1.00 0.00 O HETATM 0 HB3 CSP A 10 -2.528 -7.884 -5.546 1.00 0.00 H new HETATM 0 HB2 CSP A 10 -2.288 -6.588 -4.390 1.00 0.00 H new HETATM 0 HA CSP A 10 -2.261 -5.989 -6.791 1.00 0.00 H new ATOM 190 N SER A 11 -4.230 -7.429 -7.864 1.00 0.00 N ATOM 191 CA SER A 11 -5.141 -7.835 -8.944 1.00 0.00 C ATOM 192 C SER A 11 -6.632 -7.698 -8.627 1.00 0.00 C ATOM 193 O SER A 11 -7.367 -7.003 -9.327 1.00 0.00 O ATOM 194 CB SER A 11 -4.831 -9.281 -9.337 1.00 0.00 C ATOM 195 OG SER A 11 -3.445 -9.444 -9.648 1.00 0.00 O ATOM 0 H SER A 11 -3.453 -8.077 -7.737 1.00 0.00 H new ATOM 0 HA SER A 11 -4.959 -7.141 -9.765 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.105 -9.950 -8.521 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.436 -9.565 -10.198 1.00 0.00 H new ATOM 0 HG SER A 11 -3.272 -10.377 -9.894 1.00 0.00 H new ATOM 201 N ALA A 12 -7.068 -8.292 -7.520 1.00 0.00 N ATOM 202 CA ALA A 12 -8.478 -8.223 -7.112 1.00 0.00 C ATOM 203 C ALA A 12 -8.752 -7.430 -5.832 1.00 0.00 C ATOM 204 O ALA A 12 -9.881 -6.991 -5.617 1.00 0.00 O ATOM 205 CB ALA A 12 -9.000 -9.655 -6.979 1.00 0.00 C ATOM 0 H ALA A 12 -6.472 -8.826 -6.888 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.005 -7.666 -7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.047 -9.634 -6.676 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.910 -10.166 -7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.416 -10.187 -6.228 1.00 0.00 H new ATOM 211 N GLY A 13 -7.699 -7.132 -5.077 1.00 0.00 N ATOM 212 CA GLY A 13 -7.792 -6.528 -3.739 1.00 0.00 C ATOM 213 C GLY A 13 -8.265 -7.520 -2.673 1.00 0.00 C ATOM 214 O GLY A 13 -9.061 -7.169 -1.804 1.00 0.00 O ATOM 0 H GLY A 13 -6.739 -7.304 -5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.816 -6.134 -3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.480 -5.683 -3.774 1.00 0.00 H new ATOM 218 N MET A 14 -7.687 -8.717 -2.687 1.00 0.00 N ATOM 219 CA MET A 14 -8.114 -9.822 -1.815 1.00 0.00 C ATOM 220 C MET A 14 -7.176 -10.143 -0.650 1.00 0.00 C ATOM 221 O MET A 14 -7.496 -9.805 0.488 1.00 0.00 O ATOM 222 CB MET A 14 -8.422 -11.067 -2.649 1.00 0.00 C ATOM 223 CG MET A 14 -9.750 -10.945 -3.396 1.00 0.00 C ATOM 224 SD MET A 14 -11.193 -10.825 -2.277 1.00 0.00 S ATOM 225 CE MET A 14 -12.517 -10.938 -3.461 1.00 0.00 C ATOM 0 H MET A 14 -6.908 -8.955 -3.301 1.00 0.00 H new ATOM 0 HA MET A 14 -9.023 -9.469 -1.328 1.00 0.00 H new ATOM 0 HB2 MET A 14 -7.617 -11.231 -3.366 1.00 0.00 H new ATOM 0 HB3 MET A 14 -8.452 -11.941 -1.998 1.00 0.00 H new ATOM 0 HG2 MET A 14 -9.720 -10.064 -4.037 1.00 0.00 H new ATOM 0 HG3 MET A 14 -9.874 -11.809 -4.048 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.474 -10.881 -2.943 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.440 -10.116 -4.173 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.449 -11.886 -3.994 1.00 0.00 H new ATOM 235 N SER A 15 -6.014 -10.739 -0.908 1.00 0.00 N ATOM 236 CA SER A 15 -5.063 -11.147 0.136 1.00 0.00 C ATOM 237 C SER A 15 -4.530 -9.977 0.967 1.00 0.00 C ATOM 238 O SER A 15 -4.382 -10.074 2.184 1.00 0.00 O ATOM 239 CB SER A 15 -3.869 -11.882 -0.477 1.00 0.00 C ATOM 240 OG SER A 15 -4.338 -12.902 -1.363 1.00 0.00 O ATOM 0 H SER A 15 -5.699 -10.956 -1.853 1.00 0.00 H new ATOM 0 HA SER A 15 -5.626 -11.803 0.800 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.235 -11.179 -1.018 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.257 -12.323 0.310 1.00 0.00 H new ATOM 0 HG SER A 15 -4.405 -12.541 -2.271 1.00 0.00 H new ATOM 246 N THR A 16 -4.356 -8.840 0.300 1.00 0.00 N ATOM 247 CA THR A 16 -3.961 -7.555 0.895 1.00 0.00 C ATOM 248 C THR A 16 -4.880 -7.095 2.028 1.00 0.00 C ATOM 249 O THR A 16 -4.383 -6.561 3.019 1.00 0.00 O ATOM 250 CB THR A 16 -3.985 -6.463 -0.178 1.00 0.00 C ATOM 251 OG1 THR A 16 -5.163 -6.673 -0.962 1.00 0.00 O ATOM 252 CG2 THR A 16 -2.702 -6.460 -1.012 1.00 0.00 C ATOM 0 H THR A 16 -4.490 -8.780 -0.709 1.00 0.00 H new ATOM 0 HA THR A 16 -2.964 -7.713 1.306 1.00 0.00 H new ATOM 0 HB THR A 16 -4.020 -5.472 0.275 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.908 -6.924 -1.874 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.758 -5.671 -1.762 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.846 -6.282 -0.362 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.588 -7.424 -1.507 1.00 0.00 H new ATOM 260 N SER A 17 -6.166 -7.416 1.935 1.00 0.00 N ATOM 261 CA SER A 17 -7.184 -7.042 2.928 1.00 0.00 C ATOM 262 C SER A 17 -6.835 -7.466 4.357 1.00 0.00 C ATOM 263 O SER A 17 -6.967 -6.680 5.294 1.00 0.00 O ATOM 264 CB SER A 17 -8.538 -7.629 2.528 1.00 0.00 C ATOM 265 OG SER A 17 -9.539 -7.242 3.473 1.00 0.00 O ATOM 0 H SER A 17 -6.544 -7.954 1.155 1.00 0.00 H new ATOM 0 HA SER A 17 -7.225 -5.953 2.932 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.814 -7.282 1.532 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.472 -8.716 2.480 1.00 0.00 H new ATOM 0 HG SER A 17 -10.403 -7.621 3.208 1.00 0.00 H new ATOM 271 N LEU A 18 -6.213 -8.634 4.494 1.00 0.00 N ATOM 272 CA LEU A 18 -5.752 -9.138 5.795 1.00 0.00 C ATOM 273 C LEU A 18 -4.612 -8.300 6.376 1.00 0.00 C ATOM 274 O LEU A 18 -4.647 -7.918 7.544 1.00 0.00 O ATOM 275 CB LEU A 18 -5.361 -10.615 5.701 1.00 0.00 C ATOM 276 CG LEU A 18 -4.793 -11.173 7.008 1.00 0.00 C ATOM 277 CD1 LEU A 18 -5.851 -11.292 8.107 1.00 0.00 C ATOM 278 CD2 LEU A 18 -4.143 -12.536 6.760 1.00 0.00 C ATOM 0 H LEU A 18 -6.013 -9.259 3.713 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.590 -9.048 6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.236 -11.198 5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.622 -10.739 4.909 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.043 -10.463 7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.393 -11.693 9.011 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.269 -10.308 8.318 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.646 -11.960 7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.742 -12.924 7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.888 -13.229 6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.335 -12.427 6.037 1.00 0.00 H new ATOM 290 N LEU A 19 -3.616 -8.005 5.545 1.00 0.00 N ATOM 291 CA LEU A 19 -2.485 -7.153 5.942 1.00 0.00 C ATOM 292 C LEU A 19 -2.949 -5.734 6.276 1.00 0.00 C ATOM 293 O LEU A 19 -2.597 -5.217 7.335 1.00 0.00 O ATOM 294 CB LEU A 19 -1.436 -7.158 4.829 1.00 0.00 C ATOM 295 CG LEU A 19 -0.010 -7.023 5.369 1.00 0.00 C ATOM 296 CD1 LEU A 19 0.983 -7.508 4.311 1.00 0.00 C ATOM 297 CD2 LEU A 19 0.349 -5.582 5.734 1.00 0.00 C ATOM 0 H LEU A 19 -3.564 -8.344 4.584 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.035 -7.555 6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.519 -8.083 4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.639 -6.339 4.139 1.00 0.00 H new ATOM 0 HG LEU A 19 0.044 -7.627 6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.999 -7.412 4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.781 -8.553 4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.877 -6.905 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.371 -5.546 6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.266 -4.951 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.334 -5.220 6.502 1.00 0.00 H new ATOM 309 N VAL A 20 -3.901 -5.219 5.502 1.00 0.00 N ATOM 310 CA VAL A 20 -4.571 -3.932 5.738 1.00 0.00 C ATOM 311 C VAL A 20 -5.284 -3.954 7.091 1.00 0.00 C ATOM 312 O VAL A 20 -5.164 -3.003 7.861 1.00 0.00 O ATOM 313 CB VAL A 20 -5.558 -3.655 4.603 1.00 0.00 C ATOM 314 CG1 VAL A 20 -6.465 -2.443 4.826 1.00 0.00 C ATOM 315 CG2 VAL A 20 -4.809 -3.398 3.294 1.00 0.00 C ATOM 0 H VAL A 20 -4.241 -5.696 4.667 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.831 -3.132 5.758 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.180 -4.549 4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.130 -2.324 3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.057 -2.593 5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.854 -1.547 4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.526 -3.203 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.154 -2.535 3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.212 -4.273 3.038 1.00 0.00 H new ATOM 325 N SER A 21 -6.010 -5.034 7.364 1.00 0.00 N ATOM 326 CA SER A 21 -6.730 -5.237 8.629 1.00 0.00 C ATOM 327 C SER A 21 -5.813 -5.131 9.849 1.00 0.00 C ATOM 328 O SER A 21 -6.005 -4.281 10.717 1.00 0.00 O ATOM 329 CB SER A 21 -7.421 -6.603 8.609 1.00 0.00 C ATOM 330 OG SER A 21 -8.081 -6.863 9.850 1.00 0.00 O ATOM 0 H SER A 21 -6.120 -5.807 6.707 1.00 0.00 H new ATOM 0 HA SER A 21 -7.471 -4.442 8.718 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.145 -6.636 7.795 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.686 -7.383 8.414 1.00 0.00 H new ATOM 0 HG SER A 21 -8.516 -7.740 9.812 1.00 0.00 H new ATOM 336 N LYS A 22 -4.699 -5.854 9.787 1.00 0.00 N ATOM 337 CA LYS A 22 -3.656 -5.806 10.822 1.00 0.00 C ATOM 338 C LYS A 22 -3.002 -4.427 10.933 1.00 0.00 C ATOM 339 O LYS A 22 -2.776 -3.937 12.038 1.00 0.00 O ATOM 340 CB LYS A 22 -2.555 -6.838 10.566 1.00 0.00 C ATOM 341 CG LYS A 22 -3.019 -8.279 10.784 1.00 0.00 C ATOM 342 CD LYS A 22 -1.828 -9.228 10.634 1.00 0.00 C ATOM 343 CE LYS A 22 -2.172 -10.678 10.982 1.00 0.00 C ATOM 344 NZ LYS A 22 -2.427 -10.819 12.424 1.00 0.00 N ATOM 0 H LYS A 22 -4.488 -6.492 9.020 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.168 -6.033 11.757 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.195 -6.730 9.543 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.711 -6.631 11.224 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.459 -8.384 11.776 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.795 -8.535 10.063 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.462 -9.183 9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.016 -8.888 11.277 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.051 -10.994 10.419 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.352 -11.333 10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.491 -11.828 12.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.649 -10.382 12.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.321 -10.347 12.666 1.00 0.00 H new ATOM 358 N MET A 23 -2.779 -3.798 9.783 1.00 0.00 N ATOM 359 CA MET A 23 -2.129 -2.482 9.693 1.00 0.00 C ATOM 360 C MET A 23 -3.011 -1.348 10.219 1.00 0.00 C ATOM 361 O MET A 23 -2.506 -0.468 10.914 1.00 0.00 O ATOM 362 CB MET A 23 -1.706 -2.198 8.250 1.00 0.00 C ATOM 363 CG MET A 23 -0.232 -1.793 8.212 1.00 0.00 C ATOM 364 SD MET A 23 0.443 -1.703 6.514 1.00 0.00 S ATOM 365 CE MET A 23 0.184 0.000 6.068 1.00 0.00 C ATOM 0 H MET A 23 -3.044 -4.185 8.877 1.00 0.00 H new ATOM 0 HA MET A 23 -1.247 -2.520 10.332 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.865 -3.083 7.634 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.322 -1.403 7.831 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.115 -0.823 8.695 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.351 -2.510 8.791 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.352 0.050 5.120 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.402 0.494 6.843 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.147 0.500 5.967 1.00 0.00 H new ATOM 375 N ARG A 24 -4.313 -1.433 9.962 1.00 0.00 N ATOM 376 CA ARG A 24 -5.336 -0.548 10.538 1.00 0.00 C ATOM 377 C ARG A 24 -5.379 -0.655 12.063 1.00 0.00 C ATOM 378 O ARG A 24 -5.076 0.328 12.737 1.00 0.00 O ATOM 379 CB ARG A 24 -6.729 -0.842 9.976 1.00 0.00 C ATOM 380 CG ARG A 24 -7.047 -0.059 8.701 1.00 0.00 C ATOM 381 CD ARG A 24 -8.506 -0.266 8.286 1.00 0.00 C ATOM 382 NE ARG A 24 -8.915 0.698 7.255 1.00 0.00 N ATOM 383 CZ ARG A 24 -9.467 1.904 7.446 1.00 0.00 C ATOM 384 NH1 ARG A 24 -9.724 2.377 8.673 1.00 0.00 N ATOM 385 NH2 ARG A 24 -9.811 2.653 6.389 1.00 0.00 N ATOM 0 H ARG A 24 -4.702 -2.135 9.332 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.051 0.466 10.258 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.811 -1.909 9.768 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.476 -0.606 10.734 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.857 1.002 8.864 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.386 -0.381 7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.638 -1.280 7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.152 -0.163 9.158 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.762 0.418 6.286 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.499 1.815 9.494 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.145 3.299 8.786 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.652 2.304 5.444 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.231 3.572 6.530 1.00 0.00 H new ATOM 399 N ALA A 25 -5.357 -1.893 12.548 1.00 0.00 N ATOM 400 CA ALA A 25 -5.363 -2.168 13.993 1.00 0.00 C ATOM 401 C ALA A 25 -4.103 -1.673 14.706 1.00 0.00 C ATOM 402 O ALA A 25 -4.165 -1.155 15.819 1.00 0.00 O ATOM 403 CB ALA A 25 -5.540 -3.676 14.178 1.00 0.00 C ATOM 0 H ALA A 25 -5.335 -2.729 11.964 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.186 -1.618 14.450 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.549 -3.914 15.242 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.482 -3.990 13.729 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.715 -4.201 13.696 1.00 0.00 H new ATOM 409 N GLN A 26 -2.958 -1.826 14.048 1.00 0.00 N ATOM 410 CA GLN A 26 -1.673 -1.317 14.549 1.00 0.00 C ATOM 411 C GLN A 26 -1.585 0.209 14.469 1.00 0.00 C ATOM 412 O GLN A 26 -1.076 0.832 15.399 1.00 0.00 O ATOM 413 CB GLN A 26 -0.488 -1.939 13.807 1.00 0.00 C ATOM 414 CG GLN A 26 -0.288 -3.437 14.047 1.00 0.00 C ATOM 415 CD GLN A 26 0.293 -3.780 15.420 1.00 0.00 C ATOM 416 OE1 GLN A 26 -0.309 -3.587 16.476 1.00 0.00 O ATOM 417 NE2 GLN A 26 1.451 -4.430 15.483 1.00 0.00 N ATOM 0 H GLN A 26 -2.888 -2.306 13.151 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.623 -1.609 15.598 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.620 -1.772 12.738 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.421 -1.415 14.101 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.247 -3.943 13.934 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.374 -3.832 13.276 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.982 -4.611 14.631 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.809 -4.748 16.384 1.00 0.00 H new ATOM 426 N ALA A 27 -2.199 0.802 13.448 1.00 0.00 N ATOM 427 CA ALA A 27 -2.304 2.261 13.302 1.00 0.00 C ATOM 428 C ALA A 27 -3.110 2.876 14.447 1.00 0.00 C ATOM 429 O ALA A 27 -2.631 3.805 15.094 1.00 0.00 O ATOM 430 CB ALA A 27 -2.958 2.603 11.962 1.00 0.00 C ATOM 0 H ALA A 27 -2.643 0.284 12.690 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.298 2.679 13.334 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.033 3.686 11.860 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.352 2.203 11.149 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.955 2.165 11.921 1.00 0.00 H new ATOM 436 N GLU A 28 -4.204 2.212 14.812 1.00 0.00 N ATOM 437 CA GLU A 28 -5.077 2.608 15.925 1.00 0.00 C ATOM 438 C GLU A 28 -4.385 2.424 17.277 1.00 0.00 C ATOM 439 O GLU A 28 -4.387 3.330 18.109 1.00 0.00 O ATOM 440 CB GLU A 28 -6.347 1.756 15.865 1.00 0.00 C ATOM 441 CG GLU A 28 -7.236 2.122 14.675 1.00 0.00 C ATOM 442 CD GLU A 28 -8.417 1.167 14.486 1.00 0.00 C ATOM 443 OE1 GLU A 28 -9.489 1.472 15.052 1.00 0.00 O ATOM 444 OE2 GLU A 28 -8.267 0.247 13.653 1.00 0.00 O ATOM 0 H GLU A 28 -4.519 1.367 14.336 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.319 3.666 15.828 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.073 0.703 15.800 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.911 1.882 16.789 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.615 3.135 14.811 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.633 2.127 13.767 1.00 0.00 H new ATOM 451 N LYS A 29 -3.679 1.305 17.415 1.00 0.00 N ATOM 452 CA LYS A 29 -2.910 0.958 18.618 1.00 0.00 C ATOM 453 C LYS A 29 -1.790 1.958 18.910 1.00 0.00 C ATOM 454 O LYS A 29 -1.472 2.216 20.070 1.00 0.00 O ATOM 455 CB LYS A 29 -2.328 -0.443 18.429 1.00 0.00 C ATOM 456 CG LYS A 29 -1.672 -0.960 19.711 1.00 0.00 C ATOM 457 CD LYS A 29 -0.967 -2.299 19.489 1.00 0.00 C ATOM 458 CE LYS A 29 -0.289 -2.818 20.759 1.00 0.00 C ATOM 459 NZ LYS A 29 -1.306 -3.209 21.747 1.00 0.00 N ATOM 0 H LYS A 29 -3.621 0.597 16.683 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.583 0.988 19.475 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.119 -1.128 18.123 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.592 -0.426 17.625 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.952 -0.226 20.072 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.429 -1.072 20.487 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.692 -3.035 19.140 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.221 -2.188 18.702 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.345 -3.672 20.520 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.359 -2.047 21.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.848 -3.699 22.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.793 -2.360 22.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.998 -3.845 21.300 1.00 0.00 H new ATOM 473 N TYR A 30 -1.100 2.362 17.846 1.00 0.00 N ATOM 474 CA TYR A 30 0.067 3.251 17.920 1.00 0.00 C ATOM 475 C TYR A 30 -0.224 4.686 17.475 1.00 0.00 C ATOM 476 O TYR A 30 0.671 5.376 16.989 1.00 0.00 O ATOM 477 CB TYR A 30 1.205 2.642 17.098 1.00 0.00 C ATOM 478 CG TYR A 30 1.734 1.323 17.665 1.00 0.00 C ATOM 479 CD1 TYR A 30 2.277 1.259 18.943 1.00 0.00 C ATOM 480 CD2 TYR A 30 1.615 0.185 16.876 1.00 0.00 C ATOM 481 CE1 TYR A 30 2.689 0.033 19.451 1.00 0.00 C ATOM 482 CE2 TYR A 30 2.026 -1.045 17.377 1.00 0.00 C ATOM 483 CZ TYR A 30 2.557 -1.103 18.660 1.00 0.00 C ATOM 484 OH TYR A 30 2.844 -2.322 19.189 1.00 0.00 O ATOM 0 H TYR A 30 -1.335 2.080 16.894 1.00 0.00 H new ATOM 0 HA TYR A 30 0.355 3.329 18.968 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.857 2.476 16.079 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.025 3.358 17.042 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.378 2.156 19.537 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.205 0.256 15.879 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.105 -0.037 20.445 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.934 -1.940 16.779 1.00 0.00 H new ATOM 0 HH TYR A 30 2.701 -3.015 18.511 1.00 0.00 H new ATOM 494 N GLU A 31 -1.463 5.115 17.697 1.00 0.00 N ATOM 495 CA GLU A 31 -2.013 6.441 17.383 1.00 0.00 C ATOM 496 C GLU A 31 -1.433 7.118 16.140 1.00 0.00 C ATOM 497 O GLU A 31 -0.717 8.118 16.149 1.00 0.00 O ATOM 498 CB GLU A 31 -2.008 7.337 18.623 1.00 0.00 C ATOM 499 CG GLU A 31 -0.640 7.530 19.280 1.00 0.00 C ATOM 500 CD GLU A 31 -0.737 8.395 20.540 1.00 0.00 C ATOM 501 OE1 GLU A 31 -0.758 9.635 20.388 1.00 0.00 O ATOM 502 OE2 GLU A 31 -0.802 7.792 21.633 1.00 0.00 O ATOM 0 H GLU A 31 -2.160 4.509 18.130 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.050 6.269 17.093 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.402 8.315 18.347 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.691 6.915 19.360 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.219 6.558 19.537 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.043 7.996 18.570 1.00 0.00 H new ATOM 509 N VAL A 32 -1.716 6.464 15.017 1.00 0.00 N ATOM 510 CA VAL A 32 -1.282 6.897 13.680 1.00 0.00 C ATOM 511 C VAL A 32 -2.522 7.275 12.867 1.00 0.00 C ATOM 512 O VAL A 32 -3.235 6.390 12.395 1.00 0.00 O ATOM 513 CB VAL A 32 -0.483 5.794 12.986 1.00 0.00 C ATOM 514 CG1 VAL A 32 0.162 6.313 11.699 1.00 0.00 C ATOM 515 CG2 VAL A 32 0.626 5.188 13.848 1.00 0.00 C ATOM 0 H VAL A 32 -2.262 5.603 15.004 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.626 7.763 13.766 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.215 5.014 12.779 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.725 5.509 11.224 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.614 6.664 11.019 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.836 7.137 11.936 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.144 4.414 13.282 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.334 5.967 14.130 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.191 4.751 14.747 1.00 0.00 H new ATOM 525 N PRO A 33 -2.772 8.563 12.649 1.00 0.00 N ATOM 526 CA PRO A 33 -3.933 9.013 11.869 1.00 0.00 C ATOM 527 C PRO A 33 -3.747 8.847 10.358 1.00 0.00 C ATOM 528 O PRO A 33 -3.380 9.749 9.607 1.00 0.00 O ATOM 529 CB PRO A 33 -4.159 10.463 12.300 1.00 0.00 C ATOM 530 CG PRO A 33 -2.763 10.943 12.704 1.00 0.00 C ATOM 531 CD PRO A 33 -2.108 9.698 13.307 1.00 0.00 C ATOM 0 HA PRO A 33 -4.812 8.400 12.069 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.569 11.063 11.488 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.861 10.529 13.131 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.203 11.313 11.845 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.814 11.758 13.426 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.034 9.688 13.122 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.246 9.664 14.388 1.00 0.00 H new ATOM 539 N VAL A 34 -4.119 7.648 9.918 1.00 0.00 N ATOM 540 CA VAL A 34 -4.037 7.206 8.517 1.00 0.00 C ATOM 541 C VAL A 34 -5.253 6.385 8.083 1.00 0.00 C ATOM 542 O VAL A 34 -6.043 5.905 8.895 1.00 0.00 O ATOM 543 CB VAL A 34 -2.753 6.433 8.208 1.00 0.00 C ATOM 544 CG1 VAL A 34 -1.532 7.353 8.244 1.00 0.00 C ATOM 545 CG2 VAL A 34 -2.521 5.236 9.133 1.00 0.00 C ATOM 0 H VAL A 34 -4.497 6.932 10.539 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.023 8.128 7.936 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.888 6.039 7.201 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.635 6.776 8.021 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.649 8.143 7.502 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.440 7.797 9.235 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.593 4.736 8.855 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.452 5.581 10.165 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.352 4.537 9.039 1.00 0.00 H new ATOM 555 N ILE A 35 -5.475 6.441 6.774 1.00 0.00 N ATOM 556 CA ILE A 35 -6.523 5.694 6.063 1.00 0.00 C ATOM 557 C ILE A 35 -5.843 4.682 5.140 1.00 0.00 C ATOM 558 O ILE A 35 -5.120 5.041 4.211 1.00 0.00 O ATOM 559 CB ILE A 35 -7.453 6.660 5.326 1.00 0.00 C ATOM 560 CG1 ILE A 35 -8.174 7.552 6.338 1.00 0.00 C ATOM 561 CG2 ILE A 35 -8.473 5.903 4.472 1.00 0.00 C ATOM 562 CD1 ILE A 35 -8.915 8.756 5.754 1.00 0.00 C ATOM 0 H ILE A 35 -4.915 7.025 6.153 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.157 5.143 6.757 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.850 7.277 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.889 6.941 6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.443 7.915 7.060 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.120 6.616 3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.950 5.294 3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.077 5.259 5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.389 9.317 6.559 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.208 9.399 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.677 8.410 5.055 1.00 0.00 H new ATOM 574 N ILE A 36 -6.003 3.419 5.525 1.00 0.00 N ATOM 575 CA ILE A 36 -5.392 2.285 4.817 1.00 0.00 C ATOM 576 C ILE A 36 -6.501 1.443 4.182 1.00 0.00 C ATOM 577 O ILE A 36 -7.342 0.892 4.890 1.00 0.00 O ATOM 578 CB ILE A 36 -4.538 1.443 5.767 1.00 0.00 C ATOM 579 CG1 ILE A 36 -3.566 2.315 6.566 1.00 0.00 C ATOM 580 CG2 ILE A 36 -3.775 0.377 4.978 1.00 0.00 C ATOM 581 CD1 ILE A 36 -3.094 1.666 7.868 1.00 0.00 C ATOM 0 H ILE A 36 -6.559 3.147 6.336 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.730 2.659 4.036 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.204 0.953 6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.698 2.540 5.946 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.048 3.265 6.797 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.170 -0.218 5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.484 -0.271 4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.127 0.860 4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.408 2.339 8.382 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.954 1.466 8.507 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.583 0.730 7.643 1.00 0.00 H new ATOM 593 N GLU A 37 -6.458 1.377 2.854 1.00 0.00 N ATOM 594 CA GLU A 37 -7.468 0.708 2.021 1.00 0.00 C ATOM 595 C GLU A 37 -6.803 -0.075 0.887 1.00 0.00 C ATOM 596 O GLU A 37 -5.744 0.294 0.383 1.00 0.00 O ATOM 597 CB GLU A 37 -8.420 1.719 1.377 1.00 0.00 C ATOM 598 CG GLU A 37 -9.091 2.666 2.373 1.00 0.00 C ATOM 599 CD GLU A 37 -10.584 2.390 2.563 1.00 0.00 C ATOM 600 OE1 GLU A 37 -11.372 3.051 1.853 1.00 0.00 O ATOM 601 OE2 GLU A 37 -10.890 1.667 3.536 1.00 0.00 O ATOM 0 H GLU A 37 -5.704 1.795 2.309 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.021 0.039 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.866 2.309 0.647 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.192 1.178 0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.588 2.583 3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.959 3.693 2.032 1.00 0.00 H new ATOM 608 N ALA A 38 -7.479 -1.153 0.501 1.00 0.00 N ATOM 609 CA ALA A 38 -7.049 -2.023 -0.603 1.00 0.00 C ATOM 610 C ALA A 38 -8.043 -2.019 -1.767 1.00 0.00 C ATOM 611 O ALA A 38 -9.257 -2.030 -1.567 1.00 0.00 O ATOM 612 CB ALA A 38 -6.837 -3.452 -0.100 1.00 0.00 C ATOM 0 H ALA A 38 -8.347 -1.454 0.944 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.106 -1.624 -0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.519 -4.086 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.070 -3.455 0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.771 -3.835 0.312 1.00 0.00 H new ATOM 618 N PHE A 39 -7.475 -1.892 -2.962 1.00 0.00 N ATOM 619 CA PHE A 39 -8.200 -1.777 -4.235 1.00 0.00 C ATOM 620 C PHE A 39 -7.595 -2.642 -5.344 1.00 0.00 C ATOM 621 O PHE A 39 -6.401 -2.934 -5.287 1.00 0.00 O ATOM 622 CB PHE A 39 -8.178 -0.318 -4.695 1.00 0.00 C ATOM 623 CG PHE A 39 -9.085 0.633 -3.912 1.00 0.00 C ATOM 624 CD1 PHE A 39 -8.589 1.345 -2.826 1.00 0.00 C ATOM 625 CD2 PHE A 39 -10.351 0.906 -4.420 1.00 0.00 C ATOM 626 CE1 PHE A 39 -9.345 2.374 -2.277 1.00 0.00 C ATOM 627 CE2 PHE A 39 -11.114 1.928 -3.867 1.00 0.00 C ATOM 628 CZ PHE A 39 -10.608 2.648 -2.790 1.00 0.00 C ATOM 0 H PHE A 39 -6.462 -1.865 -3.081 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.217 -2.127 -4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -7.154 0.050 -4.631 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.464 -0.282 -5.746 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.622 1.100 -2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.740 0.325 -5.243 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.954 2.957 -1.457 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.089 2.160 -4.269 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.205 3.431 -2.346 1.00 0.00 H new ATOM 638 N PRO A 40 -8.377 -3.040 -6.343 1.00 0.00 N ATOM 639 CA PRO A 40 -7.842 -3.666 -7.560 1.00 0.00 C ATOM 640 C PRO A 40 -7.013 -2.696 -8.404 1.00 0.00 C ATOM 641 O PRO A 40 -7.267 -1.492 -8.437 1.00 0.00 O ATOM 642 CB PRO A 40 -9.043 -4.197 -8.345 1.00 0.00 C ATOM 643 CG PRO A 40 -10.243 -3.446 -7.762 1.00 0.00 C ATOM 644 CD PRO A 40 -9.842 -3.160 -6.313 1.00 0.00 C ATOM 0 HA PRO A 40 -7.157 -4.471 -7.293 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.935 -4.006 -9.413 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.152 -5.275 -8.223 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.440 -2.524 -8.310 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.151 -4.047 -7.812 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -10.306 -2.244 -5.948 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.159 -3.964 -5.649 1.00 0.00 H new ATOM 652 N GLU A 41 -6.073 -3.286 -9.136 1.00 0.00 N ATOM 653 CA GLU A 41 -5.052 -2.587 -9.931 1.00 0.00 C ATOM 654 C GLU A 41 -5.609 -1.661 -11.014 1.00 0.00 C ATOM 655 O GLU A 41 -5.009 -0.634 -11.329 1.00 0.00 O ATOM 656 CB GLU A 41 -4.066 -3.599 -10.518 1.00 0.00 C ATOM 657 CG GLU A 41 -4.462 -4.315 -11.811 1.00 0.00 C ATOM 658 CD GLU A 41 -5.596 -5.338 -11.717 1.00 0.00 C ATOM 659 OE1 GLU A 41 -6.759 -4.906 -11.567 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.275 -6.524 -11.947 1.00 0.00 O ATOM 0 H GLU A 41 -5.993 -4.301 -9.198 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.534 -1.921 -9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.123 -3.082 -10.697 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.875 -4.358 -9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.747 -3.560 -12.543 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.580 -4.822 -12.202 1.00 0.00 H new ATOM 667 N THR A 42 -6.828 -1.937 -11.467 1.00 0.00 N ATOM 668 CA THR A 42 -7.575 -1.149 -12.459 1.00 0.00 C ATOM 669 C THR A 42 -7.790 0.311 -12.056 1.00 0.00 C ATOM 670 O THR A 42 -7.707 1.214 -12.888 1.00 0.00 O ATOM 671 CB THR A 42 -8.949 -1.772 -12.715 1.00 0.00 C ATOM 672 OG1 THR A 42 -9.629 -1.946 -11.469 1.00 0.00 O ATOM 673 CG2 THR A 42 -8.846 -3.093 -13.481 1.00 0.00 C ATOM 0 H THR A 42 -7.351 -2.750 -11.142 1.00 0.00 H new ATOM 0 HA THR A 42 -6.957 -1.162 -13.357 1.00 0.00 H new ATOM 0 HB THR A 42 -9.524 -1.094 -13.346 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.510 -2.343 -11.630 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.845 -3.500 -13.641 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.367 -2.919 -14.444 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.253 -3.803 -12.904 1.00 0.00 H new ATOM 681 N LEU A 43 -7.884 0.533 -10.748 1.00 0.00 N ATOM 682 CA LEU A 43 -8.123 1.860 -10.162 1.00 0.00 C ATOM 683 C LEU A 43 -6.857 2.555 -9.656 1.00 0.00 C ATOM 684 O LEU A 43 -6.913 3.593 -8.999 1.00 0.00 O ATOM 685 CB LEU A 43 -9.133 1.717 -9.021 1.00 0.00 C ATOM 686 CG LEU A 43 -10.499 1.213 -9.493 1.00 0.00 C ATOM 687 CD1 LEU A 43 -11.343 0.800 -8.286 1.00 0.00 C ATOM 688 CD2 LEU A 43 -11.257 2.274 -10.293 1.00 0.00 C ATOM 0 H LEU A 43 -7.796 -0.208 -10.053 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.510 2.496 -10.958 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.736 1.029 -8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.258 2.682 -8.530 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.323 0.358 -10.146 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.314 0.442 -8.627 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.834 0.005 -7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.483 1.658 -7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.220 1.873 -10.608 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.416 3.154 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.675 2.552 -11.172 1.00 0.00 H new ATOM 700 N ALA A 44 -5.713 2.049 -10.110 1.00 0.00 N ATOM 701 CA ALA A 44 -4.387 2.553 -9.726 1.00 0.00 C ATOM 702 C ALA A 44 -4.114 3.990 -10.173 1.00 0.00 C ATOM 703 O ALA A 44 -3.643 4.786 -9.361 1.00 0.00 O ATOM 704 CB ALA A 44 -3.287 1.629 -10.253 1.00 0.00 C ATOM 0 H ALA A 44 -5.675 1.267 -10.764 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.381 2.562 -8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.313 2.019 -9.959 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.420 0.631 -9.836 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.344 1.579 -11.340 1.00 0.00 H new ATOM 710 N GLY A 45 -4.516 4.333 -11.394 1.00 0.00 N ATOM 711 CA GLY A 45 -4.425 5.708 -11.904 1.00 0.00 C ATOM 712 C GLY A 45 -5.339 6.642 -11.108 1.00 0.00 C ATOM 713 O GLY A 45 -4.882 7.353 -10.214 1.00 0.00 O ATOM 0 H GLY A 45 -4.914 3.671 -12.060 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.395 6.058 -11.839 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.704 5.730 -12.958 1.00 0.00 H new ATOM 717 N GLU A 46 -6.620 6.291 -11.178 1.00 0.00 N ATOM 718 CA GLU A 46 -7.737 7.109 -10.683 1.00 0.00 C ATOM 719 C GLU A 46 -7.639 7.430 -9.190 1.00 0.00 C ATOM 720 O GLU A 46 -7.540 8.584 -8.777 1.00 0.00 O ATOM 721 CB GLU A 46 -9.019 6.332 -10.990 1.00 0.00 C ATOM 722 CG GLU A 46 -10.289 7.177 -10.856 1.00 0.00 C ATOM 723 CD GLU A 46 -11.548 6.313 -10.952 1.00 0.00 C ATOM 724 OE1 GLU A 46 -11.673 5.587 -11.961 1.00 0.00 O ATOM 725 OE2 GLU A 46 -12.306 6.346 -9.959 1.00 0.00 O ATOM 0 H GLU A 46 -6.924 5.409 -11.590 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.721 8.079 -11.181 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.961 5.935 -12.004 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.087 5.478 -10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.279 7.703 -9.901 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.307 7.936 -11.638 1.00 0.00 H new ATOM 732 N LYS A 47 -7.526 6.376 -8.386 1.00 0.00 N ATOM 733 CA LYS A 47 -7.463 6.492 -6.922 1.00 0.00 C ATOM 734 C LYS A 47 -6.064 6.798 -6.383 1.00 0.00 C ATOM 735 O LYS A 47 -5.943 7.541 -5.410 1.00 0.00 O ATOM 736 CB LYS A 47 -8.015 5.244 -6.230 1.00 0.00 C ATOM 737 CG LYS A 47 -9.496 5.334 -5.859 1.00 0.00 C ATOM 738 CD LYS A 47 -10.438 5.409 -7.063 1.00 0.00 C ATOM 739 CE LYS A 47 -11.908 5.517 -6.649 1.00 0.00 C ATOM 740 NZ LYS A 47 -12.176 6.839 -6.066 1.00 0.00 N ATOM 0 H LYS A 47 -7.475 5.416 -8.726 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.093 7.349 -6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.868 4.385 -6.884 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.436 5.058 -5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.762 4.465 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.650 6.214 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.172 6.270 -7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.302 4.523 -7.683 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.550 5.357 -7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.148 4.737 -5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.200 6.957 -5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.693 6.918 -5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.824 7.579 -6.707 1.00 0.00 H new ATOM 754 N GLY A 48 -5.038 6.376 -7.116 1.00 0.00 N ATOM 755 CA GLY A 48 -3.628 6.648 -6.800 1.00 0.00 C ATOM 756 C GLY A 48 -3.276 8.137 -6.831 1.00 0.00 C ATOM 757 O GLY A 48 -2.405 8.601 -6.098 1.00 0.00 O ATOM 0 H GLY A 48 -5.160 5.824 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.401 6.249 -5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.995 6.117 -7.511 1.00 0.00 H new ATOM 761 N GLN A 49 -4.058 8.894 -7.596 1.00 0.00 N ATOM 762 CA GLN A 49 -4.003 10.361 -7.665 1.00 0.00 C ATOM 763 C GLN A 49 -4.220 11.043 -6.313 1.00 0.00 C ATOM 764 O GLN A 49 -3.576 12.046 -6.008 1.00 0.00 O ATOM 765 CB GLN A 49 -5.074 10.847 -8.643 1.00 0.00 C ATOM 766 CG GLN A 49 -4.680 10.546 -10.091 1.00 0.00 C ATOM 767 CD GLN A 49 -5.871 10.593 -11.050 1.00 0.00 C ATOM 768 OE1 GLN A 49 -6.922 11.182 -10.800 1.00 0.00 O ATOM 769 NE2 GLN A 49 -5.718 10.001 -12.231 1.00 0.00 N ATOM 0 H GLN A 49 -4.772 8.496 -8.206 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.000 10.629 -7.997 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.024 10.365 -8.414 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.223 11.920 -8.519 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.929 11.266 -10.416 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.218 9.560 -10.140 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.850 9.510 -12.447 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.468 10.038 -12.921 1.00 0.00 H new ATOM 778 N ASN A 50 -5.015 10.387 -5.473 1.00 0.00 N ATOM 779 CA ASN A 50 -5.347 10.855 -4.120 1.00 0.00 C ATOM 780 C ASN A 50 -4.752 9.958 -3.032 1.00 0.00 C ATOM 781 O ASN A 50 -5.321 9.771 -1.959 1.00 0.00 O ATOM 782 CB ASN A 50 -6.870 10.943 -3.995 1.00 0.00 C ATOM 783 CG ASN A 50 -7.457 11.975 -4.958 1.00 0.00 C ATOM 784 OD1 ASN A 50 -7.242 13.180 -4.833 1.00 0.00 O ATOM 785 ND2 ASN A 50 -8.167 11.547 -5.998 1.00 0.00 N ATOM 0 H ASN A 50 -5.457 9.499 -5.712 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.905 11.840 -3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.309 9.966 -4.197 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.137 11.207 -2.972 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.526 12.215 -6.680 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.352 10.551 -6.114 1.00 0.00 H new ATOM 792 N ALA A 51 -3.613 9.359 -3.371 1.00 0.00 N ATOM 793 CA ALA A 51 -2.764 8.636 -2.412 1.00 0.00 C ATOM 794 C ALA A 51 -1.467 9.405 -2.152 1.00 0.00 C ATOM 795 O ALA A 51 -0.916 10.053 -3.040 1.00 0.00 O ATOM 796 CB ALA A 51 -2.424 7.244 -2.948 1.00 0.00 C ATOM 0 H ALA A 51 -3.246 9.358 -4.323 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.317 8.541 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.795 6.720 -2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.343 6.680 -3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.891 7.339 -3.894 1.00 0.00 H new ATOM 802 N ASP A 52 -1.069 9.373 -0.882 1.00 0.00 N ATOM 803 CA ASP A 52 0.218 9.918 -0.426 1.00 0.00 C ATOM 804 C ASP A 52 1.345 8.909 -0.653 1.00 0.00 C ATOM 805 O ASP A 52 2.473 9.307 -0.940 1.00 0.00 O ATOM 806 CB ASP A 52 0.175 10.331 1.046 1.00 0.00 C ATOM 807 CG ASP A 52 -0.775 11.504 1.293 1.00 0.00 C ATOM 808 OD1 ASP A 52 -0.299 12.654 1.166 1.00 0.00 O ATOM 809 OD2 ASP A 52 -1.923 11.215 1.692 1.00 0.00 O ATOM 0 H ASP A 52 -1.630 8.967 -0.133 1.00 0.00 H new ATOM 0 HA ASP A 52 0.414 10.812 -1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.138 9.480 1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.178 10.604 1.374 1.00 0.00 H new ATOM 814 N VAL A 53 1.029 7.625 -0.506 1.00 0.00 N ATOM 815 CA VAL A 53 1.876 6.531 -1.004 1.00 0.00 C ATOM 816 C VAL A 53 0.986 5.428 -1.580 1.00 0.00 C ATOM 817 O VAL A 53 -0.116 5.153 -1.106 1.00 0.00 O ATOM 818 CB VAL A 53 2.840 6.020 0.070 1.00 0.00 C ATOM 819 CG1 VAL A 53 2.133 5.331 1.239 1.00 0.00 C ATOM 820 CG2 VAL A 53 3.892 5.101 -0.554 1.00 0.00 C ATOM 0 H VAL A 53 0.180 7.308 -0.039 1.00 0.00 H new ATOM 0 HA VAL A 53 2.513 6.906 -1.805 1.00 0.00 H new ATOM 0 HB VAL A 53 3.333 6.896 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.874 4.993 1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.452 6.034 1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.570 4.474 0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.570 4.745 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.399 4.250 -1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.457 5.652 -1.305 1.00 0.00 H new ATOM 830 N VAL A 54 1.484 4.902 -2.695 1.00 0.00 N ATOM 831 CA VAL A 54 0.913 3.736 -3.386 1.00 0.00 C ATOM 832 C VAL A 54 1.848 2.556 -3.113 1.00 0.00 C ATOM 833 O VAL A 54 3.056 2.617 -3.335 1.00 0.00 O ATOM 834 CB VAL A 54 0.815 4.020 -4.887 1.00 0.00 C ATOM 835 CG1 VAL A 54 0.263 2.824 -5.666 1.00 0.00 C ATOM 836 CG2 VAL A 54 -0.083 5.226 -5.170 1.00 0.00 C ATOM 0 H VAL A 54 2.312 5.277 -3.158 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.092 3.513 -3.029 1.00 0.00 H new ATOM 0 HB VAL A 54 1.833 4.226 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.212 3.073 -6.726 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.919 1.965 -5.526 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.735 2.582 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.131 5.400 -6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.085 5.031 -4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.326 6.108 -4.678 1.00 0.00 H new ATOM 846 N LEU A 55 1.238 1.531 -2.525 1.00 0.00 N ATOM 847 CA LEU A 55 1.924 0.261 -2.246 1.00 0.00 C ATOM 848 C LEU A 55 1.352 -0.892 -3.076 1.00 0.00 C ATOM 849 O LEU A 55 0.144 -1.060 -3.227 1.00 0.00 O ATOM 850 CB LEU A 55 1.855 -0.063 -0.754 1.00 0.00 C ATOM 851 CG LEU A 55 2.809 0.819 0.054 1.00 0.00 C ATOM 852 CD1 LEU A 55 2.391 0.801 1.526 1.00 0.00 C ATOM 853 CD2 LEU A 55 4.264 0.355 -0.053 1.00 0.00 C ATOM 0 H LEU A 55 0.262 1.550 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 55 2.968 0.380 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.835 0.079 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.105 -1.112 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 55 2.748 1.827 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.069 1.429 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.374 1.182 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.432 -0.221 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.900 1.014 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.349 -0.665 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.580 0.385 -1.096 1.00 0.00 H new ATOM 865 N LEU A 56 2.297 -1.619 -3.664 1.00 0.00 N ATOM 866 CA LEU A 56 2.019 -2.736 -4.579 1.00 0.00 C ATOM 867 C LEU A 56 2.366 -4.092 -3.960 1.00 0.00 C ATOM 868 O LEU A 56 3.363 -4.250 -3.257 1.00 0.00 O ATOM 869 CB LEU A 56 2.852 -2.614 -5.856 1.00 0.00 C ATOM 870 CG LEU A 56 2.740 -1.263 -6.567 1.00 0.00 C ATOM 871 CD1 LEU A 56 3.748 -1.200 -7.715 1.00 0.00 C ATOM 872 CD2 LEU A 56 1.338 -1.011 -7.127 1.00 0.00 C ATOM 0 H LEU A 56 3.293 -1.452 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 56 0.951 -2.684 -4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.898 -2.794 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.548 -3.400 -6.548 1.00 0.00 H new ATOM 0 HG LEU A 56 2.949 -0.493 -5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.666 -0.237 -8.219 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.757 -1.318 -7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.541 -2.000 -8.425 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.313 -0.040 -7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.088 -1.791 -7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.613 -1.023 -6.313 1.00 0.00 H new ATOM 884 N GLY A 57 1.496 -5.050 -4.266 1.00 0.00 N ATOM 885 CA GLY A 57 1.721 -6.481 -4.021 1.00 0.00 C ATOM 886 C GLY A 57 2.925 -6.974 -4.826 1.00 0.00 C ATOM 887 O GLY A 57 3.024 -6.617 -5.999 1.00 0.00 O ATOM 0 H GLY A 57 0.594 -4.855 -4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.891 -6.653 -2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.833 -7.049 -4.298 1.00 0.00 H new ATOM 891 N PRO A 58 3.793 -7.813 -4.266 1.00 0.00 N ATOM 892 CA PRO A 58 4.978 -8.307 -4.980 1.00 0.00 C ATOM 893 C PRO A 58 4.671 -9.032 -6.292 1.00 0.00 C ATOM 894 O PRO A 58 5.447 -8.966 -7.243 1.00 0.00 O ATOM 895 CB PRO A 58 5.737 -9.192 -3.990 1.00 0.00 C ATOM 896 CG PRO A 58 4.723 -9.511 -2.890 1.00 0.00 C ATOM 897 CD PRO A 58 3.789 -8.300 -2.878 1.00 0.00 C ATOM 0 HA PRO A 58 5.582 -7.460 -5.306 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.099 -10.101 -4.470 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.608 -8.676 -3.587 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.179 -10.431 -3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.212 -9.647 -1.925 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.785 -8.578 -2.558 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.143 -7.534 -2.188 1.00 0.00 H new ATOM 905 N GLN A 59 3.467 -9.585 -6.401 1.00 0.00 N ATOM 906 CA GLN A 59 2.930 -10.202 -7.623 1.00 0.00 C ATOM 907 C GLN A 59 2.727 -9.231 -8.789 1.00 0.00 C ATOM 908 O GLN A 59 3.006 -9.593 -9.931 1.00 0.00 O ATOM 909 CB GLN A 59 1.630 -10.966 -7.361 1.00 0.00 C ATOM 910 CG GLN A 59 0.521 -10.187 -6.650 1.00 0.00 C ATOM 911 CD GLN A 59 0.586 -10.310 -5.126 1.00 0.00 C ATOM 912 OE1 GLN A 59 1.637 -10.331 -4.487 1.00 0.00 O ATOM 913 NE2 GLN A 59 -0.575 -10.313 -4.475 1.00 0.00 N ATOM 0 H GLN A 59 2.812 -9.620 -5.620 1.00 0.00 H new ATOM 0 HA GLN A 59 3.708 -10.902 -7.927 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.242 -11.320 -8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.865 -11.848 -6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.589 -9.135 -6.927 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.448 -10.547 -6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.452 -10.296 -4.996 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.588 -10.333 -3.455 1.00 0.00 H new ATOM 922 N ILE A 60 2.431 -7.971 -8.483 1.00 0.00 N ATOM 923 CA ILE A 60 2.300 -6.933 -9.517 1.00 0.00 C ATOM 924 C ILE A 60 3.441 -5.918 -9.438 1.00 0.00 C ATOM 925 O ILE A 60 3.367 -4.803 -9.952 1.00 0.00 O ATOM 926 CB ILE A 60 0.935 -6.243 -9.516 1.00 0.00 C ATOM 927 CG1 ILE A 60 0.615 -5.538 -8.196 1.00 0.00 C ATOM 928 CG2 ILE A 60 -0.161 -7.235 -9.912 1.00 0.00 C ATOM 929 CD1 ILE A 60 -0.335 -4.358 -8.407 1.00 0.00 C ATOM 0 H ILE A 60 2.276 -7.638 -7.531 1.00 0.00 H new ATOM 0 HA ILE A 60 2.372 -7.451 -10.473 1.00 0.00 H new ATOM 0 HB ILE A 60 0.976 -5.451 -10.264 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.166 -6.249 -7.502 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.539 -5.185 -7.737 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.127 -6.731 -9.907 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.042 -7.621 -10.911 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.179 -8.060 -9.200 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.541 -3.881 -7.449 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.126 -3.636 -9.081 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.268 -4.716 -8.842 1.00 0.00 H new ATOM 941 N ALA A 61 4.581 -6.387 -8.939 1.00 0.00 N ATOM 942 CA ALA A 61 5.806 -5.582 -8.822 1.00 0.00 C ATOM 943 C ALA A 61 6.455 -5.277 -10.174 1.00 0.00 C ATOM 944 O ALA A 61 7.048 -4.215 -10.353 1.00 0.00 O ATOM 945 CB ALA A 61 6.820 -6.312 -7.940 1.00 0.00 C ATOM 0 H ALA A 61 4.688 -7.343 -8.600 1.00 0.00 H new ATOM 0 HA ALA A 61 5.513 -4.631 -8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.727 -5.713 -7.855 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.394 -6.468 -6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.063 -7.276 -8.386 1.00 0.00 H new ATOM 951 N TYR A 62 6.268 -6.179 -11.133 1.00 0.00 N ATOM 952 CA TYR A 62 6.695 -5.953 -12.521 1.00 0.00 C ATOM 953 C TYR A 62 5.994 -4.757 -13.168 1.00 0.00 C ATOM 954 O TYR A 62 6.547 -4.129 -14.069 1.00 0.00 O ATOM 955 CB TYR A 62 6.509 -7.222 -13.357 1.00 0.00 C ATOM 956 CG TYR A 62 5.062 -7.578 -13.701 1.00 0.00 C ATOM 957 CD1 TYR A 62 4.241 -8.173 -12.750 1.00 0.00 C ATOM 958 CD2 TYR A 62 4.608 -7.304 -14.986 1.00 0.00 C ATOM 959 CE1 TYR A 62 2.927 -8.478 -13.087 1.00 0.00 C ATOM 960 CE2 TYR A 62 3.302 -7.626 -15.335 1.00 0.00 C ATOM 961 CZ TYR A 62 2.479 -8.203 -14.373 1.00 0.00 C ATOM 962 OH TYR A 62 1.207 -8.550 -14.706 1.00 0.00 O ATOM 0 H TYR A 62 5.820 -7.082 -10.978 1.00 0.00 H new ATOM 0 HA TYR A 62 7.757 -5.708 -12.491 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.068 -7.109 -14.286 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.952 -8.059 -12.818 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.619 -8.395 -11.763 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.266 -6.844 -15.708 1.00 0.00 H new ATOM 0 HE1 TYR A 62 2.264 -8.922 -12.359 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.934 -7.432 -16.332 1.00 0.00 H new ATOM 0 HH TYR A 62 1.032 -8.296 -15.636 1.00 0.00 H new ATOM 972 N MET A 63 4.835 -4.387 -12.630 1.00 0.00 N ATOM 973 CA MET A 63 4.052 -3.222 -13.066 1.00 0.00 C ATOM 974 C MET A 63 4.457 -1.909 -12.392 1.00 0.00 C ATOM 975 O MET A 63 3.917 -0.860 -12.739 1.00 0.00 O ATOM 976 CB MET A 63 2.581 -3.535 -12.778 1.00 0.00 C ATOM 977 CG MET A 63 2.023 -4.583 -13.744 1.00 0.00 C ATOM 978 SD MET A 63 0.429 -5.306 -13.212 1.00 0.00 S ATOM 979 CE MET A 63 -0.702 -3.984 -13.589 1.00 0.00 C ATOM 0 H MET A 63 4.400 -4.897 -11.861 1.00 0.00 H new ATOM 0 HA MET A 63 4.239 -3.062 -14.128 1.00 0.00 H new ATOM 0 HB2 MET A 63 2.480 -3.894 -11.754 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.993 -2.620 -12.855 1.00 0.00 H new ATOM 0 HG2 MET A 63 1.894 -4.126 -14.725 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.754 -5.384 -13.858 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.726 -4.355 -13.538 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.572 -3.177 -12.868 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.502 -3.609 -14.593 1.00 0.00 H new ATOM 989 N LEU A 64 5.489 -1.927 -11.553 1.00 0.00 N ATOM 990 CA LEU A 64 6.056 -0.712 -10.953 1.00 0.00 C ATOM 991 C LEU A 64 6.439 0.347 -11.989 1.00 0.00 C ATOM 992 O LEU A 64 5.793 1.391 -11.917 1.00 0.00 O ATOM 993 CB LEU A 64 7.190 -1.081 -9.994 1.00 0.00 C ATOM 994 CG LEU A 64 7.843 0.176 -9.414 1.00 0.00 C ATOM 995 CD1 LEU A 64 7.009 0.774 -8.279 1.00 0.00 C ATOM 996 CD2 LEU A 64 9.278 -0.081 -8.954 1.00 0.00 C ATOM 0 H LEU A 64 5.961 -2.785 -11.266 1.00 0.00 H new ATOM 0 HA LEU A 64 5.278 -0.228 -10.363 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.801 -1.700 -9.186 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.938 -1.675 -10.519 1.00 0.00 H new ATOM 0 HG LEU A 64 7.883 0.905 -10.223 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.505 1.665 -7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.022 1.043 -8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.905 0.041 -7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.701 0.839 -8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.280 -0.851 -8.183 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.877 -0.414 -9.801 1.00 0.00 H new ATOM 1008 N PRO A 65 7.223 0.089 -13.032 1.00 0.00 N ATOM 1009 CA PRO A 65 7.544 1.113 -14.037 1.00 0.00 C ATOM 1010 C PRO A 65 6.320 1.691 -14.751 1.00 0.00 C ATOM 1011 O PRO A 65 6.257 2.904 -14.940 1.00 0.00 O ATOM 1012 CB PRO A 65 8.500 0.452 -15.032 1.00 0.00 C ATOM 1013 CG PRO A 65 8.264 -1.049 -14.845 1.00 0.00 C ATOM 1014 CD PRO A 65 7.899 -1.173 -13.365 1.00 0.00 C ATOM 0 HA PRO A 65 7.994 1.973 -13.541 1.00 0.00 H new ATOM 0 HB2 PRO A 65 8.287 0.764 -16.055 1.00 0.00 H new ATOM 0 HB3 PRO A 65 9.536 0.720 -14.826 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.462 -1.412 -15.488 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.155 -1.628 -15.088 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.246 -2.028 -13.190 1.00 0.00 H new ATOM 0 HD3 PRO A 65 8.787 -1.319 -12.750 1.00 0.00 H new ATOM 1022 N GLU A 66 5.272 0.882 -14.885 1.00 0.00 N ATOM 1023 CA GLU A 66 4.042 1.279 -15.585 1.00 0.00 C ATOM 1024 C GLU A 66 3.151 2.181 -14.727 1.00 0.00 C ATOM 1025 O GLU A 66 2.718 3.254 -15.144 1.00 0.00 O ATOM 1026 CB GLU A 66 3.274 0.018 -15.987 1.00 0.00 C ATOM 1027 CG GLU A 66 2.473 0.188 -17.279 1.00 0.00 C ATOM 1028 CD GLU A 66 3.377 0.088 -18.509 1.00 0.00 C ATOM 1029 OE1 GLU A 66 3.570 -1.059 -18.966 1.00 0.00 O ATOM 1030 OE2 GLU A 66 3.840 1.153 -18.971 1.00 0.00 O ATOM 0 H GLU A 66 5.246 -0.068 -14.514 1.00 0.00 H new ATOM 0 HA GLU A 66 4.324 1.854 -16.467 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.978 -0.805 -16.109 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.596 -0.259 -15.180 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.697 -0.576 -17.332 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.969 1.154 -17.273 1.00 0.00 H new ATOM 1037 N ILE A 67 2.983 1.790 -13.467 1.00 0.00 N ATOM 1038 CA ILE A 67 2.211 2.526 -12.456 1.00 0.00 C ATOM 1039 C ILE A 67 2.943 3.798 -12.024 1.00 0.00 C ATOM 1040 O ILE A 67 2.315 4.837 -11.829 1.00 0.00 O ATOM 1041 CB ILE A 67 1.854 1.570 -11.316 1.00 0.00 C ATOM 1042 CG1 ILE A 67 0.815 0.595 -11.872 1.00 0.00 C ATOM 1043 CG2 ILE A 67 1.327 2.304 -10.081 1.00 0.00 C ATOM 1044 CD1 ILE A 67 0.397 -0.564 -10.964 1.00 0.00 C ATOM 0 H ILE A 67 3.390 0.928 -13.105 1.00 0.00 H new ATOM 0 HA ILE A 67 1.269 2.886 -12.871 1.00 0.00 H new ATOM 0 HB ILE A 67 2.746 1.043 -10.976 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.079 1.163 -12.130 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.205 0.176 -12.799 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.089 1.580 -9.302 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.088 2.993 -9.715 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.429 2.862 -10.345 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.343 -1.179 -11.476 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.270 -1.171 -10.724 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.034 -0.168 -10.044 1.00 0.00 H new ATOM 1056 N GLN A 68 4.271 3.734 -11.974 1.00 0.00 N ATOM 1057 CA GLN A 68 5.131 4.903 -11.740 1.00 0.00 C ATOM 1058 C GLN A 68 5.012 5.902 -12.893 1.00 0.00 C ATOM 1059 O GLN A 68 4.978 7.110 -12.664 1.00 0.00 O ATOM 1060 CB GLN A 68 6.578 4.424 -11.614 1.00 0.00 C ATOM 1061 CG GLN A 68 7.503 5.531 -11.103 1.00 0.00 C ATOM 1062 CD GLN A 68 8.210 5.066 -9.829 1.00 0.00 C ATOM 1063 OE1 GLN A 68 9.137 4.259 -9.832 1.00 0.00 O ATOM 1064 NE2 GLN A 68 7.812 5.632 -8.692 1.00 0.00 N ATOM 0 H GLN A 68 4.790 2.864 -12.095 1.00 0.00 H new ATOM 0 HA GLN A 68 4.819 5.405 -10.824 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.621 3.573 -10.935 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.931 4.075 -12.585 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.238 5.785 -11.866 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.928 6.435 -10.902 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.042 6.301 -8.698 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.277 5.397 -7.815 1.00 0.00 H new ATOM 1073 N ARG A 69 4.890 5.398 -14.117 1.00 0.00 N ATOM 1074 CA ARG A 69 4.673 6.220 -15.317 1.00 0.00 C ATOM 1075 C ARG A 69 3.327 6.946 -15.248 1.00 0.00 C ATOM 1076 O ARG A 69 3.201 8.083 -15.698 1.00 0.00 O ATOM 1077 CB ARG A 69 4.783 5.277 -16.516 1.00 0.00 C ATOM 1078 CG ARG A 69 4.834 5.994 -17.867 1.00 0.00 C ATOM 1079 CD ARG A 69 3.451 6.161 -18.500 1.00 0.00 C ATOM 1080 NE ARG A 69 3.570 7.053 -19.662 1.00 0.00 N ATOM 1081 CZ ARG A 69 2.628 7.287 -20.585 1.00 0.00 C ATOM 1082 NH1 ARG A 69 1.438 6.670 -20.558 1.00 0.00 N ATOM 1083 NH2 ARG A 69 2.860 8.187 -21.550 1.00 0.00 N ATOM 0 H ARG A 69 4.939 4.398 -14.313 1.00 0.00 H new ATOM 0 HA ARG A 69 5.417 7.011 -15.404 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.680 4.668 -16.405 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.932 4.596 -16.509 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.290 6.975 -17.736 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.475 5.433 -18.547 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.056 5.192 -18.806 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.751 6.576 -17.775 1.00 0.00 H new ATOM 0 HE ARG A 69 4.458 7.542 -19.777 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.228 5.999 -19.819 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.743 6.871 -21.277 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.748 8.688 -21.578 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.148 8.372 -22.257 1.00 0.00 H new ATOM 1097 N LEU A 70 2.315 6.234 -14.761 1.00 0.00 N ATOM 1098 CA LEU A 70 0.968 6.758 -14.495 1.00 0.00 C ATOM 1099 C LEU A 70 0.953 7.805 -13.377 1.00 0.00 C ATOM 1100 O LEU A 70 0.214 8.786 -13.440 1.00 0.00 O ATOM 1101 CB LEU A 70 0.065 5.594 -14.083 1.00 0.00 C ATOM 1102 CG LEU A 70 -0.395 4.742 -15.267 1.00 0.00 C ATOM 1103 CD1 LEU A 70 -0.944 3.399 -14.783 1.00 0.00 C ATOM 1104 CD2 LEU A 70 -1.511 5.440 -16.046 1.00 0.00 C ATOM 0 H LEU A 70 2.407 5.244 -14.531 1.00 0.00 H new ATOM 0 HA LEU A 70 0.616 7.241 -15.406 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.599 4.961 -13.374 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.810 5.987 -13.564 1.00 0.00 H new ATOM 0 HG LEU A 70 0.474 4.593 -15.908 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.266 2.807 -15.640 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.165 2.861 -14.243 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.793 3.570 -14.121 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.819 4.812 -16.882 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.363 5.611 -15.387 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.148 6.396 -16.424 1.00 0.00 H new ATOM 1116 N LEU A 71 1.703 7.513 -12.318 1.00 0.00 N ATOM 1117 CA LEU A 71 1.797 8.329 -11.099 1.00 0.00 C ATOM 1118 C LEU A 71 3.247 8.719 -10.806 1.00 0.00 C ATOM 1119 O LEU A 71 3.826 8.281 -9.813 1.00 0.00 O ATOM 1120 CB LEU A 71 1.217 7.532 -9.929 1.00 0.00 C ATOM 1121 CG LEU A 71 -0.171 6.939 -10.180 1.00 0.00 C ATOM 1122 CD1 LEU A 71 -0.447 5.825 -9.169 1.00 0.00 C ATOM 1123 CD2 LEU A 71 -1.282 7.990 -10.112 1.00 0.00 C ATOM 0 H LEU A 71 2.283 6.675 -12.278 1.00 0.00 H new ATOM 0 HA LEU A 71 1.231 9.250 -11.241 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.904 6.722 -9.684 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.166 8.182 -9.055 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.172 6.536 -11.193 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.436 5.405 -9.351 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.304 5.043 -9.276 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.406 6.232 -8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.245 7.514 -10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.289 8.449 -9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.105 8.756 -10.867 1.00 0.00 H new ATOM 1135 N PRO A 72 3.832 9.633 -11.576 1.00 0.00 N ATOM 1136 CA PRO A 72 5.231 10.035 -11.368 1.00 0.00 C ATOM 1137 C PRO A 72 5.457 11.007 -10.209 1.00 0.00 C ATOM 1138 O PRO A 72 6.527 11.012 -9.600 1.00 0.00 O ATOM 1139 CB PRO A 72 5.668 10.631 -12.707 1.00 0.00 C ATOM 1140 CG PRO A 72 4.375 11.194 -13.299 1.00 0.00 C ATOM 1141 CD PRO A 72 3.300 10.219 -12.815 1.00 0.00 C ATOM 0 HA PRO A 72 5.826 9.172 -11.070 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.418 11.410 -12.572 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.108 9.874 -13.356 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.183 12.208 -12.949 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.418 11.235 -14.387 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.357 10.734 -12.632 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.104 9.449 -13.561 1.00 0.00 H new ATOM 1149 N ASN A 73 4.380 11.668 -9.796 1.00 0.00 N ATOM 1150 CA ASN A 73 4.427 12.615 -8.672 1.00 0.00 C ATOM 1151 C ASN A 73 4.122 11.979 -7.314 1.00 0.00 C ATOM 1152 O ASN A 73 3.878 12.671 -6.327 1.00 0.00 O ATOM 1153 CB ASN A 73 3.457 13.773 -8.916 1.00 0.00 C ATOM 1154 CG ASN A 73 3.852 14.575 -10.156 1.00 0.00 C ATOM 1155 OD1 ASN A 73 4.939 15.145 -10.240 1.00 0.00 O ATOM 1156 ND2 ASN A 73 2.977 14.679 -11.152 1.00 0.00 N ATOM 0 H ASN A 73 3.458 11.569 -10.221 1.00 0.00 H new ATOM 0 HA ASN A 73 5.455 12.975 -8.629 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.446 13.384 -9.038 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.443 14.428 -8.045 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.209 15.229 -11.979 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.074 14.209 -11.089 1.00 0.00 H new ATOM 1163 N LYS A 74 4.042 10.652 -7.295 1.00 0.00 N ATOM 1164 CA LYS A 74 3.685 9.894 -6.087 1.00 0.00 C ATOM 1165 C LYS A 74 4.761 8.847 -5.793 1.00 0.00 C ATOM 1166 O LYS A 74 5.303 8.273 -6.737 1.00 0.00 O ATOM 1167 CB LYS A 74 2.351 9.174 -6.294 1.00 0.00 C ATOM 1168 CG LYS A 74 1.145 10.055 -6.628 1.00 0.00 C ATOM 1169 CD LYS A 74 0.823 11.097 -5.554 1.00 0.00 C ATOM 1170 CE LYS A 74 -0.479 11.832 -5.875 1.00 0.00 C ATOM 1171 NZ LYS A 74 -0.713 12.857 -4.849 1.00 0.00 N ATOM 0 H LYS A 74 4.221 10.067 -8.111 1.00 0.00 H new ATOM 0 HA LYS A 74 3.604 10.591 -5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.476 8.448 -7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.123 8.612 -5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.331 10.566 -7.572 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.272 9.419 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.739 10.609 -4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.641 11.814 -5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.418 12.293 -6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.312 11.129 -5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.597 13.363 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.787 12.404 -3.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.079 13.531 -4.845 1.00 0.00 H new ATOM 1185 N PRO A 75 5.144 8.670 -4.531 1.00 0.00 N ATOM 1186 CA PRO A 75 6.016 7.558 -4.128 1.00 0.00 C ATOM 1187 C PRO A 75 5.247 6.238 -4.206 1.00 0.00 C ATOM 1188 O PRO A 75 4.134 6.095 -3.701 1.00 0.00 O ATOM 1189 CB PRO A 75 6.493 7.892 -2.713 1.00 0.00 C ATOM 1190 CG PRO A 75 5.422 8.846 -2.179 1.00 0.00 C ATOM 1191 CD PRO A 75 4.937 9.605 -3.416 1.00 0.00 C ATOM 0 HA PRO A 75 6.876 7.435 -4.786 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.573 6.997 -2.097 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.477 8.361 -2.723 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.607 8.301 -1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.832 9.525 -1.432 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.888 9.885 -3.323 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.501 10.526 -3.562 1.00 0.00 H new ATOM 1199 N VAL A 76 5.733 5.465 -5.173 1.00 0.00 N ATOM 1200 CA VAL A 76 5.140 4.164 -5.512 1.00 0.00 C ATOM 1201 C VAL A 76 6.195 3.096 -5.217 1.00 0.00 C ATOM 1202 O VAL A 76 7.145 2.923 -5.979 1.00 0.00 O ATOM 1203 CB VAL A 76 4.703 4.116 -6.977 1.00 0.00 C ATOM 1204 CG1 VAL A 76 3.990 2.798 -7.292 1.00 0.00 C ATOM 1205 CG2 VAL A 76 3.771 5.263 -7.371 1.00 0.00 C ATOM 0 H VAL A 76 6.542 5.715 -5.742 1.00 0.00 H new ATOM 0 HA VAL A 76 4.243 3.991 -4.918 1.00 0.00 H new ATOM 0 HB VAL A 76 5.623 4.209 -7.554 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.689 2.788 -8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.665 1.964 -7.101 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.107 2.702 -6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.500 5.167 -8.423 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.869 5.226 -6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.278 6.215 -7.212 1.00 0.00 H new ATOM 1215 N GLU A 77 5.864 2.317 -4.192 1.00 0.00 N ATOM 1216 CA GLU A 77 6.746 1.270 -3.656 1.00 0.00 C ATOM 1217 C GLU A 77 6.051 -0.093 -3.636 1.00 0.00 C ATOM 1218 O GLU A 77 4.828 -0.220 -3.670 1.00 0.00 O ATOM 1219 CB GLU A 77 7.182 1.629 -2.233 1.00 0.00 C ATOM 1220 CG GLU A 77 7.995 2.918 -2.095 1.00 0.00 C ATOM 1221 CD GLU A 77 9.301 2.924 -2.893 1.00 0.00 C ATOM 1222 OE1 GLU A 77 10.224 2.189 -2.480 1.00 0.00 O ATOM 1223 OE2 GLU A 77 9.367 3.731 -3.846 1.00 0.00 O ATOM 0 H GLU A 77 4.972 2.390 -3.703 1.00 0.00 H new ATOM 0 HA GLU A 77 7.616 1.207 -4.310 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.292 1.714 -1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.772 0.804 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.381 3.758 -2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.225 3.078 -1.042 1.00 0.00 H new ATOM 1230 N VAL A 78 6.898 -1.117 -3.619 1.00 0.00 N ATOM 1231 CA VAL A 78 6.484 -2.526 -3.540 1.00 0.00 C ATOM 1232 C VAL A 78 6.677 -3.029 -2.109 1.00 0.00 C ATOM 1233 O VAL A 78 7.686 -2.759 -1.459 1.00 0.00 O ATOM 1234 CB VAL A 78 7.304 -3.349 -4.536 1.00 0.00 C ATOM 1235 CG1 VAL A 78 6.963 -4.840 -4.503 1.00 0.00 C ATOM 1236 CG2 VAL A 78 7.124 -2.860 -5.974 1.00 0.00 C ATOM 0 H VAL A 78 7.910 -0.996 -3.660 1.00 0.00 H new ATOM 0 HA VAL A 78 5.430 -2.628 -3.798 1.00 0.00 H new ATOM 0 HB VAL A 78 8.338 -3.211 -4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.577 -5.370 -5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.159 -5.236 -3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.910 -4.978 -4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.725 -3.474 -6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.074 -2.936 -6.255 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.445 -1.821 -6.048 1.00 0.00 H new ATOM 1246 N ILE A 79 5.692 -3.784 -1.630 1.00 0.00 N ATOM 1247 CA ILE A 79 5.747 -4.482 -0.337 1.00 0.00 C ATOM 1248 C ILE A 79 6.723 -5.652 -0.479 1.00 0.00 C ATOM 1249 O ILE A 79 6.555 -6.517 -1.338 1.00 0.00 O ATOM 1250 CB ILE A 79 4.360 -4.975 0.078 1.00 0.00 C ATOM 1251 CG1 ILE A 79 3.380 -3.805 0.182 1.00 0.00 C ATOM 1252 CG2 ILE A 79 4.417 -5.716 1.417 1.00 0.00 C ATOM 1253 CD1 ILE A 79 1.930 -4.216 -0.083 1.00 0.00 C ATOM 0 H ILE A 79 4.817 -3.934 -2.133 1.00 0.00 H new ATOM 0 HA ILE A 79 6.088 -3.801 0.443 1.00 0.00 H new ATOM 0 HB ILE A 79 4.013 -5.666 -0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.451 -3.365 1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.669 -3.032 -0.530 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.417 -6.055 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.081 -6.576 1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.794 -5.045 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.283 -3.344 0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.847 -4.629 -1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.626 -4.968 0.645 1.00 0.00 H new ATOM 1265 N ASP A 80 7.713 -5.638 0.409 1.00 0.00 N ATOM 1266 CA ASP A 80 8.738 -6.686 0.511 1.00 0.00 C ATOM 1267 C ASP A 80 8.123 -8.078 0.675 1.00 0.00 C ATOM 1268 O ASP A 80 7.231 -8.311 1.489 1.00 0.00 O ATOM 1269 CB ASP A 80 9.679 -6.372 1.676 1.00 0.00 C ATOM 1270 CG ASP A 80 10.688 -7.497 1.912 1.00 0.00 C ATOM 1271 OD1 ASP A 80 11.576 -7.676 1.049 1.00 0.00 O ATOM 1272 OD2 ASP A 80 10.411 -8.305 2.825 1.00 0.00 O ATOM 0 H ASP A 80 7.832 -4.889 1.091 1.00 0.00 H new ATOM 0 HA ASP A 80 9.303 -6.696 -0.421 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.212 -5.443 1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.095 -6.212 2.582 1.00 0.00 H new ATOM 1277 N SER A 81 8.647 -8.979 -0.150 1.00 0.00 N ATOM 1278 CA SER A 81 8.187 -10.371 -0.261 1.00 0.00 C ATOM 1279 C SER A 81 8.130 -11.116 1.074 1.00 0.00 C ATOM 1280 O SER A 81 7.152 -11.797 1.377 1.00 0.00 O ATOM 1281 CB SER A 81 9.088 -11.145 -1.225 1.00 0.00 C ATOM 1282 OG SER A 81 9.092 -10.496 -2.499 1.00 0.00 O ATOM 0 H SER A 81 9.422 -8.763 -0.777 1.00 0.00 H new ATOM 0 HA SER A 81 7.165 -10.316 -0.637 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.102 -11.198 -0.829 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.732 -12.170 -1.328 1.00 0.00 H new ATOM 0 HG SER A 81 9.671 -10.991 -3.116 1.00 0.00 H new ATOM 1288 N LEU A 82 9.142 -10.902 1.911 1.00 0.00 N ATOM 1289 CA LEU A 82 9.263 -11.521 3.239 1.00 0.00 C ATOM 1290 C LEU A 82 8.270 -10.924 4.239 1.00 0.00 C ATOM 1291 O LEU A 82 7.584 -11.675 4.930 1.00 0.00 O ATOM 1292 CB LEU A 82 10.726 -11.362 3.663 1.00 0.00 C ATOM 1293 CG LEU A 82 11.000 -11.812 5.099 1.00 0.00 C ATOM 1294 CD1 LEU A 82 10.816 -13.319 5.282 1.00 0.00 C ATOM 1295 CD2 LEU A 82 12.410 -11.420 5.549 1.00 0.00 C ATOM 0 H LEU A 82 9.920 -10.282 1.685 1.00 0.00 H new ATOM 0 HA LEU A 82 9.004 -12.579 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.357 -11.937 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.014 -10.316 3.558 1.00 0.00 H new ATOM 0 HG LEU A 82 10.266 -11.298 5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.022 -13.588 6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.791 -13.593 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.504 -13.852 4.625 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.571 -11.755 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.144 -11.889 4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.520 -10.337 5.500 1.00 0.00 H new ATOM 1307 N LEU A 83 8.149 -9.601 4.291 1.00 0.00 N ATOM 1308 CA LEU A 83 7.158 -8.896 5.117 1.00 0.00 C ATOM 1309 C LEU A 83 5.718 -9.300 4.789 1.00 0.00 C ATOM 1310 O LEU A 83 4.876 -9.409 5.678 1.00 0.00 O ATOM 1311 CB LEU A 83 7.270 -7.379 4.958 1.00 0.00 C ATOM 1312 CG LEU A 83 8.548 -6.791 5.563 1.00 0.00 C ATOM 1313 CD1 LEU A 83 8.571 -5.276 5.351 1.00 0.00 C ATOM 1314 CD2 LEU A 83 8.663 -7.080 7.061 1.00 0.00 C ATOM 0 H LEU A 83 8.745 -8.972 3.753 1.00 0.00 H new ATOM 0 HA LEU A 83 7.383 -9.186 6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.232 -7.130 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.406 -6.908 5.427 1.00 0.00 H new ATOM 0 HG LEU A 83 9.391 -7.264 5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.482 -4.862 5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.544 -5.058 4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.703 -4.828 5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.585 -6.644 7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.810 -6.645 7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.676 -8.158 7.224 1.00 0.00 H new ATOM 1326 N TYR A 84 5.491 -9.532 3.499 1.00 0.00 N ATOM 1327 CA TYR A 84 4.233 -10.026 2.923 1.00 0.00 C ATOM 1328 C TYR A 84 3.931 -11.455 3.378 1.00 0.00 C ATOM 1329 O TYR A 84 2.817 -11.729 3.822 1.00 0.00 O ATOM 1330 CB TYR A 84 4.301 -9.948 1.396 1.00 0.00 C ATOM 1331 CG TYR A 84 2.954 -10.098 0.685 1.00 0.00 C ATOM 1332 CD1 TYR A 84 2.106 -9.000 0.609 1.00 0.00 C ATOM 1333 CD2 TYR A 84 2.636 -11.293 0.050 1.00 0.00 C ATOM 1334 CE1 TYR A 84 0.927 -9.087 -0.121 1.00 0.00 C ATOM 1335 CE2 TYR A 84 1.464 -11.384 -0.692 1.00 0.00 C ATOM 1336 CZ TYR A 84 0.619 -10.282 -0.761 1.00 0.00 C ATOM 1337 OH TYR A 84 -0.521 -10.367 -1.496 1.00 0.00 O ATOM 0 H TYR A 84 6.208 -9.375 2.791 1.00 0.00 H new ATOM 0 HA TYR A 84 3.420 -9.394 3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.740 -8.991 1.114 1.00 0.00 H new ATOM 0 HB3 TYR A 84 4.974 -10.726 1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.363 -8.082 1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.295 -12.145 0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.261 -8.240 -0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.213 -12.299 -1.208 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.869 -9.467 -1.665 1.00 0.00 H new ATOM 1347 N GLY A 85 4.954 -12.305 3.388 1.00 0.00 N ATOM 1348 CA GLY A 85 4.891 -13.690 3.878 1.00 0.00 C ATOM 1349 C GLY A 85 4.621 -13.771 5.382 1.00 0.00 C ATOM 1350 O GLY A 85 3.739 -14.502 5.829 1.00 0.00 O ATOM 0 H GLY A 85 5.880 -12.047 3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.107 -14.225 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.831 -14.194 3.654 1.00 0.00 H new ATOM 1354 N LYS A 86 5.369 -12.973 6.138 1.00 0.00 N ATOM 1355 CA LYS A 86 5.230 -12.820 7.594 1.00 0.00 C ATOM 1356 C LYS A 86 3.859 -12.273 7.997 1.00 0.00 C ATOM 1357 O LYS A 86 3.384 -12.513 9.105 1.00 0.00 O ATOM 1358 CB LYS A 86 6.269 -11.818 8.101 1.00 0.00 C ATOM 1359 CG LYS A 86 7.713 -12.325 8.131 1.00 0.00 C ATOM 1360 CD LYS A 86 8.703 -11.181 8.358 1.00 0.00 C ATOM 1361 CE LYS A 86 8.634 -10.554 9.752 1.00 0.00 C ATOM 1362 NZ LYS A 86 9.527 -9.389 9.840 1.00 0.00 N ATOM 0 H LYS A 86 6.113 -12.395 5.748 1.00 0.00 H new ATOM 0 HA LYS A 86 5.364 -13.812 8.026 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.228 -10.929 7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.990 -11.510 9.108 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.823 -13.066 8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.944 -12.826 7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.714 -11.552 8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.520 -10.405 7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.610 -10.251 9.970 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.915 -11.292 10.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.203 -9.528 10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.047 -9.281 8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.964 -8.533 10.019 1.00 0.00 H new ATOM 1376 N VAL A 87 3.302 -11.469 7.095 1.00 0.00 N ATOM 1377 CA VAL A 87 2.105 -10.631 7.260 1.00 0.00 C ATOM 1378 C VAL A 87 2.316 -9.716 8.469 1.00 0.00 C ATOM 1379 O VAL A 87 1.548 -9.664 9.428 1.00 0.00 O ATOM 1380 CB VAL A 87 0.814 -11.446 7.347 1.00 0.00 C ATOM 1381 CG1 VAL A 87 -0.420 -10.552 7.201 1.00 0.00 C ATOM 1382 CG2 VAL A 87 0.725 -12.543 6.284 1.00 0.00 C ATOM 0 H VAL A 87 3.700 -11.375 6.160 1.00 0.00 H new ATOM 0 HA VAL A 87 1.974 -10.018 6.368 1.00 0.00 H new ATOM 0 HB VAL A 87 0.837 -11.911 8.332 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.321 -11.162 7.267 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.426 -9.808 7.997 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.393 -10.049 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.213 -13.085 6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.765 -12.093 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.560 -13.233 6.403 1.00 0.00 H new ATOM 1392 N ASP A 88 3.388 -8.940 8.337 1.00 0.00 N ATOM 1393 CA ASP A 88 3.873 -8.022 9.378 1.00 0.00 C ATOM 1394 C ASP A 88 3.341 -6.609 9.124 1.00 0.00 C ATOM 1395 O ASP A 88 3.910 -5.793 8.401 1.00 0.00 O ATOM 1396 CB ASP A 88 5.401 -8.064 9.429 1.00 0.00 C ATOM 1397 CG ASP A 88 6.035 -7.193 10.514 1.00 0.00 C ATOM 1398 OD1 ASP A 88 5.292 -6.596 11.324 1.00 0.00 O ATOM 1399 OD2 ASP A 88 7.282 -7.122 10.479 1.00 0.00 O ATOM 0 H ASP A 88 3.958 -8.927 7.491 1.00 0.00 H new ATOM 0 HA ASP A 88 3.500 -8.336 10.353 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.716 -9.096 9.582 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.791 -7.752 8.460 1.00 0.00 H new ATOM 1404 N GLY A 89 2.175 -6.402 9.727 1.00 0.00 N ATOM 1405 CA GLY A 89 1.437 -5.131 9.676 1.00 0.00 C ATOM 1406 C GLY A 89 2.298 -3.937 10.093 1.00 0.00 C ATOM 1407 O GLY A 89 2.559 -3.050 9.282 1.00 0.00 O ATOM 0 H GLY A 89 1.703 -7.121 10.276 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.065 -4.971 8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.567 -5.193 10.329 1.00 0.00 H new ATOM 1411 N LEU A 90 2.993 -4.112 11.213 1.00 0.00 N ATOM 1412 CA LEU A 90 3.805 -3.051 11.827 1.00 0.00 C ATOM 1413 C LEU A 90 5.025 -2.682 10.981 1.00 0.00 C ATOM 1414 O LEU A 90 5.327 -1.504 10.801 1.00 0.00 O ATOM 1415 CB LEU A 90 4.208 -3.535 13.221 1.00 0.00 C ATOM 1416 CG LEU A 90 4.935 -2.462 14.032 1.00 0.00 C ATOM 1417 CD1 LEU A 90 4.063 -1.232 14.289 1.00 0.00 C ATOM 1418 CD2 LEU A 90 5.400 -3.042 15.369 1.00 0.00 C ATOM 0 H LEU A 90 3.013 -4.993 11.726 1.00 0.00 H new ATOM 0 HA LEU A 90 3.220 -2.134 11.895 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.317 -3.852 13.763 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.851 -4.410 13.125 1.00 0.00 H new ATOM 0 HG LEU A 90 5.793 -2.142 13.440 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.627 -0.501 14.869 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.767 -0.790 13.337 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.173 -1.527 14.845 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.917 -2.271 15.940 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.536 -3.394 15.933 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.079 -3.875 15.188 1.00 0.00 H new ATOM 1430 N GLY A 91 5.679 -3.702 10.432 1.00 0.00 N ATOM 1431 CA GLY A 91 6.837 -3.591 9.531 1.00 0.00 C ATOM 1432 C GLY A 91 6.517 -2.778 8.275 1.00 0.00 C ATOM 1433 O GLY A 91 7.120 -1.733 8.033 1.00 0.00 O ATOM 0 H GLY A 91 5.411 -4.671 10.606 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.665 -3.123 10.063 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.167 -4.589 9.242 1.00 0.00 H new ATOM 1437 N VAL A 92 5.414 -3.149 7.633 1.00 0.00 N ATOM 1438 CA VAL A 92 4.910 -2.484 6.422 1.00 0.00 C ATOM 1439 C VAL A 92 4.412 -1.074 6.749 1.00 0.00 C ATOM 1440 O VAL A 92 4.679 -0.148 5.985 1.00 0.00 O ATOM 1441 CB VAL A 92 3.820 -3.324 5.753 1.00 0.00 C ATOM 1442 CG1 VAL A 92 3.289 -2.703 4.460 1.00 0.00 C ATOM 1443 CG2 VAL A 92 4.331 -4.716 5.372 1.00 0.00 C ATOM 0 H VAL A 92 4.833 -3.930 7.938 1.00 0.00 H new ATOM 0 HA VAL A 92 5.732 -2.389 5.712 1.00 0.00 H new ATOM 0 HB VAL A 92 3.027 -3.376 6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.519 -3.348 4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.863 -1.723 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.106 -2.595 3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.528 -5.282 4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.165 -4.620 4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.665 -5.239 6.268 1.00 0.00 H new ATOM 1453 N LEU A 93 3.836 -0.876 7.931 1.00 0.00 N ATOM 1454 CA LEU A 93 3.389 0.440 8.409 1.00 0.00 C ATOM 1455 C LEU A 93 4.565 1.415 8.513 1.00 0.00 C ATOM 1456 O LEU A 93 4.527 2.517 7.966 1.00 0.00 O ATOM 1457 CB LEU A 93 2.711 0.285 9.772 1.00 0.00 C ATOM 1458 CG LEU A 93 2.047 1.566 10.282 1.00 0.00 C ATOM 1459 CD1 LEU A 93 0.783 1.927 9.499 1.00 0.00 C ATOM 1460 CD2 LEU A 93 1.713 1.442 11.770 1.00 0.00 C ATOM 0 H LEU A 93 3.662 -1.630 8.596 1.00 0.00 H new ATOM 0 HA LEU A 93 2.677 0.848 7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.959 -0.501 9.706 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.452 -0.044 10.501 1.00 0.00 H new ATOM 0 HG LEU A 93 2.767 2.370 10.132 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.354 2.844 9.904 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.036 2.077 8.449 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.058 1.118 9.586 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.242 2.362 12.115 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.030 0.606 11.921 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.629 1.270 12.335 1.00 0.00 H new ATOM 1472 N LYS A 94 5.660 0.933 9.093 1.00 0.00 N ATOM 1473 CA LYS A 94 6.897 1.707 9.264 1.00 0.00 C ATOM 1474 C LYS A 94 7.579 2.052 7.938 1.00 0.00 C ATOM 1475 O LYS A 94 8.038 3.180 7.760 1.00 0.00 O ATOM 1476 CB LYS A 94 7.868 0.961 10.181 1.00 0.00 C ATOM 1477 CG LYS A 94 7.388 1.118 11.625 1.00 0.00 C ATOM 1478 CD LYS A 94 8.278 0.388 12.633 1.00 0.00 C ATOM 1479 CE LYS A 94 7.869 0.647 14.084 1.00 0.00 C ATOM 1480 NZ LYS A 94 8.101 2.053 14.450 1.00 0.00 N ATOM 0 H LYS A 94 5.720 -0.016 9.463 1.00 0.00 H new ATOM 0 HA LYS A 94 6.611 2.653 9.724 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.912 -0.094 9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.876 1.361 10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.355 2.178 11.878 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.369 0.739 11.707 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.239 -0.683 12.435 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.312 0.701 12.491 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.816 0.401 14.219 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.437 -0.005 14.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.029 2.159 15.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.050 2.341 14.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.388 2.654 13.990 1.00 0.00 H new ATOM 1494 N ALA A 95 7.518 1.116 6.996 1.00 0.00 N ATOM 1495 CA ALA A 95 8.040 1.309 5.635 1.00 0.00 C ATOM 1496 C ALA A 95 7.186 2.275 4.812 1.00 0.00 C ATOM 1497 O ALA A 95 7.697 3.210 4.196 1.00 0.00 O ATOM 1498 CB ALA A 95 8.104 -0.060 4.954 1.00 0.00 C ATOM 0 H ALA A 95 7.105 0.196 7.150 1.00 0.00 H new ATOM 0 HA ALA A 95 9.031 1.758 5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.489 0.055 3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.764 -0.717 5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 95 7.105 -0.494 4.915 1.00 0.00 H new ATOM 1504 N ALA A 96 5.878 2.200 5.038 1.00 0.00 N ATOM 1505 CA ALA A 96 4.878 3.059 4.388 1.00 0.00 C ATOM 1506 C ALA A 96 4.994 4.516 4.844 1.00 0.00 C ATOM 1507 O ALA A 96 5.079 5.422 4.017 1.00 0.00 O ATOM 1508 CB ALA A 96 3.476 2.529 4.694 1.00 0.00 C ATOM 0 H ALA A 96 5.470 1.530 5.689 1.00 0.00 H new ATOM 0 HA ALA A 96 5.061 3.035 3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.733 3.165 4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.381 1.511 4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.313 2.533 5.772 1.00 0.00 H new ATOM 1514 N VAL A 97 5.177 4.725 6.144 1.00 0.00 N ATOM 1515 CA VAL A 97 5.309 6.077 6.707 1.00 0.00 C ATOM 1516 C VAL A 97 6.640 6.756 6.379 1.00 0.00 C ATOM 1517 O VAL A 97 6.773 7.976 6.465 1.00 0.00 O ATOM 1518 CB VAL A 97 5.062 6.145 8.216 1.00 0.00 C ATOM 1519 CG1 VAL A 97 3.622 5.722 8.517 1.00 0.00 C ATOM 1520 CG2 VAL A 97 6.023 5.314 9.068 1.00 0.00 C ATOM 0 H VAL A 97 5.238 3.977 6.835 1.00 0.00 H new ATOM 0 HA VAL A 97 4.514 6.631 6.208 1.00 0.00 H new ATOM 0 HB VAL A 97 5.244 7.183 8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.446 5.770 9.592 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.931 6.392 8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.462 4.702 8.169 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.767 5.428 10.121 1.00 0.00 H new ATOM 0 HG22 VAL A 97 5.944 4.264 8.787 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.044 5.657 8.904 1.00 0.00 H new ATOM 1530 N ALA A 98 7.616 5.892 6.114 1.00 0.00 N ATOM 1531 CA ALA A 98 8.960 6.254 5.640 1.00 0.00 C ATOM 1532 C ALA A 98 8.927 6.741 4.190 1.00 0.00 C ATOM 1533 O ALA A 98 9.587 7.721 3.847 1.00 0.00 O ATOM 1534 CB ALA A 98 9.862 5.023 5.749 1.00 0.00 C ATOM 0 H ALA A 98 7.495 4.885 6.225 1.00 0.00 H new ATOM 0 HA ALA A 98 9.344 7.067 6.255 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.864 5.274 5.401 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.910 4.698 6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.456 4.219 5.135 1.00 0.00 H new ATOM 1540 N ALA A 99 8.130 6.059 3.373 1.00 0.00 N ATOM 1541 CA ALA A 99 7.812 6.466 1.996 1.00 0.00 C ATOM 1542 C ALA A 99 6.969 7.742 1.958 1.00 0.00 C ATOM 1543 O ALA A 99 7.187 8.579 1.082 1.00 0.00 O ATOM 1544 CB ALA A 99 7.083 5.303 1.320 1.00 0.00 C ATOM 0 H ALA A 99 7.675 5.189 3.649 1.00 0.00 H new ATOM 0 HA ALA A 99 8.734 6.696 1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.834 5.576 0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.727 4.424 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.168 5.079 1.868 1.00 0.00 H new ATOM 1550 N ILE A 100 6.110 7.931 2.955 1.00 0.00 N ATOM 1551 CA ILE A 100 5.569 9.256 3.292 1.00 0.00 C ATOM 1552 C ILE A 100 6.682 9.975 4.056 1.00 0.00 C ATOM 1553 O ILE A 100 7.736 9.397 4.317 1.00 0.00 O ATOM 1554 CB ILE A 100 4.271 9.169 4.096 1.00 0.00 C ATOM 1555 CG1 ILE A 100 3.318 8.084 3.589 1.00 0.00 C ATOM 1556 CG2 ILE A 100 3.521 10.495 3.953 1.00 0.00 C ATOM 1557 CD1 ILE A 100 2.236 7.684 4.594 1.00 0.00 C ATOM 0 H ILE A 100 5.767 7.179 3.553 1.00 0.00 H new ATOM 0 HA ILE A 100 5.290 9.807 2.394 1.00 0.00 H new ATOM 0 HB ILE A 100 4.556 8.937 5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.838 8.435 2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.898 7.200 3.325 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.592 10.450 4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.141 11.307 4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.296 10.674 2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.603 6.911 4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.705 7.301 5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.628 8.555 4.840 1.00 0.00 H new ATOM 1569 N LYS A 101 6.488 11.221 4.483 1.00 0.00 N ATOM 1570 CA LYS A 101 7.567 12.213 4.587 1.00 0.00 C ATOM 1571 C LYS A 101 8.305 12.463 3.270 1.00 0.00 C ATOM 1572 O LYS A 101 8.967 13.495 3.168 1.00 0.00 O ATOM 1573 CB LYS A 101 8.593 11.777 5.636 1.00 0.00 C ATOM 1574 CG LYS A 101 8.042 11.807 7.063 1.00 0.00 C ATOM 1575 CD LYS A 101 8.542 10.677 7.967 1.00 0.00 C ATOM 1576 CE LYS A 101 10.049 10.628 8.224 1.00 0.00 C ATOM 1577 NZ LYS A 101 10.527 11.774 9.010 1.00 0.00 N ATOM 0 H LYS A 101 5.576 11.577 4.769 1.00 0.00 H new ATOM 0 HA LYS A 101 7.078 13.144 4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.933 10.767 5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.465 12.429 5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.304 12.762 7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.954 11.764 7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.034 10.758 8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.240 9.727 7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.294 9.705 8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.576 10.602 7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.553 11.691 9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.319 12.656 8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.047 11.787 9.932 1.00 0.00 H new ATOM 1591 N LYS A 102 8.551 11.367 2.558 1.00 0.00 N ATOM 1592 CA LYS A 102 8.915 11.198 1.143 1.00 0.00 C ATOM 1593 C LYS A 102 10.358 10.690 1.099 1.00 0.00 C ATOM 1594 O LYS A 102 11.325 11.449 1.051 1.00 0.00 O ATOM 1595 CB LYS A 102 8.724 12.436 0.264 1.00 0.00 C ATOM 1596 CG LYS A 102 8.450 12.085 -1.200 1.00 0.00 C ATOM 1597 CD LYS A 102 9.712 11.591 -1.911 1.00 0.00 C ATOM 1598 CE LYS A 102 9.435 10.990 -3.291 1.00 0.00 C ATOM 1599 NZ LYS A 102 10.704 10.509 -3.857 1.00 0.00 N ATOM 0 H LYS A 102 8.494 10.456 3.014 1.00 0.00 H new ATOM 0 HA LYS A 102 8.222 10.479 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.895 13.028 0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.616 13.059 0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.679 11.316 -1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.061 12.962 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.409 12.422 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.202 10.842 -1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.722 10.170 -3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.988 11.738 -3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.531 10.097 -4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.369 11.304 -3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.111 9.785 -3.231 1.00 0.00 H new ATOM 1613 N ALA A 103 10.418 9.369 1.243 1.00 0.00 N ATOM 1614 CA ALA A 103 11.653 8.608 1.484 1.00 0.00 C ATOM 1615 C ALA A 103 12.445 9.234 2.634 1.00 0.00 C ATOM 1616 O ALA A 103 13.675 9.216 2.673 1.00 0.00 O ATOM 1617 CB ALA A 103 12.462 8.515 0.188 1.00 0.00 C ATOM 0 H ALA A 103 9.589 8.777 1.195 1.00 0.00 H new ATOM 0 HA ALA A 103 11.410 7.590 1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 103 13.377 7.951 0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 103 11.870 8.010 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.717 9.518 -0.155 1.00 0.00 H new ATOM 1623 N ALA A 104 11.704 9.585 3.680 1.00 0.00 N ATOM 1624 CA ALA A 104 12.137 10.455 4.783 1.00 0.00 C ATOM 1625 C ALA A 104 12.804 11.740 4.288 1.00 0.00 C ATOM 1626 O ALA A 104 14.004 11.949 4.458 1.00 0.00 O ATOM 1627 CB ALA A 104 13.019 9.639 5.731 1.00 0.00 C ATOM 0 H ALA A 104 10.744 9.260 3.793 1.00 0.00 H new ATOM 0 HA ALA A 104 11.264 10.802 5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.349 10.271 6.556 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.449 8.797 6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.888 9.267 5.189 1.00 0.00 H new ATOM 1633 N ALA A 105 11.949 12.646 3.822 1.00 0.00 N ATOM 1634 CA ALA A 105 12.305 13.916 3.172 1.00 0.00 C ATOM 1635 C ALA A 105 13.646 13.915 2.435 1.00 0.00 C ATOM 1636 O ALA A 105 14.666 14.402 2.921 1.00 0.00 O ATOM 1637 CB ALA A 105 12.183 15.045 4.197 1.00 0.00 C ATOM 0 H ALA A 105 10.940 12.514 3.888 1.00 0.00 H new ATOM 0 HA ALA A 105 11.593 14.078 2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.445 15.993 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.158 15.093 4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 105 12.859 14.854 5.030 1.00 0.00 H new ATOM 1643 N ASN A 106 13.586 13.283 1.267 1.00 0.00 N ATOM 1644 CA ASN A 106 14.712 13.035 0.355 1.00 0.00 C ATOM 1645 C ASN A 106 14.300 13.469 -1.053 1.00 0.00 C ATOM 1646 O ASN A 106 13.092 13.693 -1.279 1.00 0.00 O ATOM 1647 CB ASN A 106 15.012 11.534 0.353 1.00 0.00 C ATOM 1648 CG ASN A 106 16.485 11.132 0.271 1.00 0.00 C ATOM 1649 OD1 ASN A 106 16.950 10.213 0.942 1.00 0.00 O ATOM 1650 ND2 ASN A 106 17.252 11.688 -0.663 1.00 0.00 N ATOM 1651 OXT ASN A 106 15.184 13.445 -1.938 1.00 0.00 O ATOM 0 H ASN A 106 12.708 12.908 0.907 1.00 0.00 H new ATOM 0 HA ASN A 106 15.595 13.591 0.672 1.00 0.00 H new ATOM 0 HB2 ASN A 106 14.590 11.101 1.260 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.488 11.083 -0.489 1.00 0.00 H new ATOM 0 HD21 ASN A 106 18.203 11.350 -0.809 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.889 12.452 -1.233 1.00 0.00 H new TER 1658 ASN A 106