USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 LYS NZ :NH3+ 171:sc= 0.829 (180deg=-0.215) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0.789 USER MOD Set 2.1: A 38 TYR OH : rot 24:sc= 1.57 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 178:sc= 0.529 (180deg=0) USER MOD Single : A 7 TYR OH : rot -162:sc= 1.17 USER MOD Single : A 8 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0241) USER MOD Single : A 9 SER OG : rot 86:sc= 0.817 USER MOD Single : A 10 CYS SG : rot 180:sc= -1.1 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.226 K(o=-0.23,f=-1) USER MOD Single : A 19 SER OG : rot 55:sc= 1.17 USER MOD Single : A 20 LYS NZ :NH3+ -121:sc= 0.302 (180deg=-0.377) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 0.708 (180deg=0.687) USER MOD Single : A 32 GLN : amide:sc= 1.15 K(o=1.1,f=-0.33) USER MOD Single : A 39 LYS NZ :NH3+ -139:sc= 0.229 (180deg=-0.963) USER MOD Single : A 40 LYS NZ :NH3+ -109:sc= 0.668 (180deg=-0.264) USER MOD Single : A 41 MET CE :methyl 144:sc= -1.23 (180deg=-4.03!) USER MOD Single : A 44 TYR OH : rot 102:sc= 1.51 USER MOD Single : A 48 SER OG : rot 61:sc= 0.969 USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= -0.578 (180deg=-1.35) USER MOD Single : A 56 MET CE :methyl 176:sc= -0.226 (180deg=-0.256) USER MOD Single : A 57 MET CE :methyl 165:sc= -2.31 (180deg=-4.17!) USER MOD Single : A 58 THR OG1 : rot 67:sc= 1.11 USER MOD Single : A 59 ASN : amide:sc= 0.079 X(o=0.079,f=-0.032) USER MOD Single : A 62 LYS NZ :NH3+ 175:sc= 0.215 (180deg=0.204) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -0.377 (180deg=-0.728) USER MOD Single : A 65 SER OG : rot 104:sc= 1.12 USER MOD Single : A 70 LYS NZ :NH3+ -132:sc= -0.0107 (180deg=-0.718) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 174:sc= -0.104 (180deg=-0.139) USER MOD Single : A 77 SER OG : rot -39:sc= 0.953 USER MOD Single : A 78 LYS NZ :NH3+ -139:sc= -0.134 (180deg=-1.05) USER MOD ----------------------------------------------------------------- ATOM 25 N GLY A 3 1.288 -10.189 -4.011 1.00 0.00 N ATOM 26 CA GLY A 3 1.936 -9.010 -3.451 1.00 0.00 C ATOM 27 C GLY A 3 2.908 -8.296 -4.387 1.00 0.00 C ATOM 28 O GLY A 3 2.702 -7.145 -4.770 1.00 0.00 O ATOM 0 HA2 GLY A 3 1.165 -8.302 -3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.474 -9.304 -2.550 1.00 0.00 H new ATOM 32 N ALA A 4 3.978 -9.000 -4.743 1.00 0.00 N ATOM 33 CA ALA A 4 5.101 -8.487 -5.518 1.00 0.00 C ATOM 34 C ALA A 4 4.655 -7.735 -6.771 1.00 0.00 C ATOM 35 O ALA A 4 4.970 -6.559 -6.951 1.00 0.00 O ATOM 36 CB ALA A 4 6.045 -9.642 -5.870 1.00 0.00 C ATOM 0 H ALA A 4 4.090 -9.982 -4.489 1.00 0.00 H new ATOM 0 HA ALA A 4 5.631 -7.759 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.886 -9.261 -6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.415 -10.102 -4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.507 -10.386 -6.457 1.00 0.00 H new ATOM 42 N ALA A 5 3.912 -8.429 -7.636 1.00 0.00 N ATOM 43 CA ALA A 5 3.436 -7.883 -8.898 1.00 0.00 C ATOM 44 C ALA A 5 2.695 -6.562 -8.709 1.00 0.00 C ATOM 45 O ALA A 5 2.858 -5.648 -9.510 1.00 0.00 O ATOM 46 CB ALA A 5 2.547 -8.906 -9.604 1.00 0.00 C ATOM 0 H ALA A 5 3.624 -9.394 -7.474 1.00 0.00 H new ATOM 0 HA ALA A 5 4.306 -7.672 -9.520 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.194 -8.491 -10.548 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.119 -9.813 -9.798 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.693 -9.144 -8.970 1.00 0.00 H new ATOM 52 N LEU A 6 1.866 -6.457 -7.668 1.00 0.00 N ATOM 53 CA LEU A 6 1.134 -5.262 -7.377 1.00 0.00 C ATOM 54 C LEU A 6 2.118 -4.176 -6.949 1.00 0.00 C ATOM 55 O LEU A 6 2.129 -3.086 -7.524 1.00 0.00 O ATOM 56 CB LEU A 6 0.162 -5.608 -6.256 1.00 0.00 C ATOM 57 CG LEU A 6 -0.888 -6.654 -6.668 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.711 -7.919 -5.826 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.311 -6.130 -6.471 1.00 0.00 C ATOM 0 H LEU A 6 1.695 -7.216 -7.009 1.00 0.00 H new ATOM 0 HA LEU A 6 0.584 -4.889 -8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.723 -5.983 -5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.346 -4.700 -5.931 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.740 -6.873 -7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.456 -8.659 -6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.287 -8.326 -5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.838 -7.675 -4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.026 -6.896 -6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.466 -5.883 -5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.458 -5.237 -7.079 1.00 0.00 H new ATOM 71 N TYR A 7 2.957 -4.504 -5.955 1.00 0.00 N ATOM 72 CA TYR A 7 3.930 -3.587 -5.379 1.00 0.00 C ATOM 73 C TYR A 7 4.736 -2.837 -6.437 1.00 0.00 C ATOM 74 O TYR A 7 4.954 -1.634 -6.290 1.00 0.00 O ATOM 75 CB TYR A 7 4.848 -4.270 -4.362 1.00 0.00 C ATOM 76 CG TYR A 7 5.621 -3.241 -3.556 1.00 0.00 C ATOM 77 CD1 TYR A 7 4.930 -2.445 -2.623 1.00 0.00 C ATOM 78 CD2 TYR A 7 6.927 -2.880 -3.940 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.529 -1.289 -2.095 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.540 -1.746 -3.379 1.00 0.00 C ATOM 81 CZ TYR A 7 6.827 -0.929 -2.486 1.00 0.00 C ATOM 82 OH TYR A 7 7.363 0.240 -2.040 1.00 0.00 O ATOM 0 H TYR A 7 2.972 -5.430 -5.528 1.00 0.00 H new ATOM 0 HA TYR A 7 3.345 -2.842 -4.839 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.256 -4.893 -3.692 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.544 -4.930 -4.880 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.934 -2.724 -2.311 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.459 -3.476 -4.667 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.989 -0.677 -1.387 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.561 -1.503 -3.635 1.00 0.00 H new ATOM 0 HH TYR A 7 8.124 0.487 -2.605 1.00 0.00 H new ATOM 92 N LYS A 8 5.155 -3.532 -7.502 1.00 0.00 N ATOM 93 CA LYS A 8 5.891 -2.930 -8.614 1.00 0.00 C ATOM 94 C LYS A 8 5.287 -1.586 -9.047 1.00 0.00 C ATOM 95 O LYS A 8 6.017 -0.662 -9.389 1.00 0.00 O ATOM 96 CB LYS A 8 5.935 -3.886 -9.812 1.00 0.00 C ATOM 97 CG LYS A 8 6.807 -5.117 -9.544 1.00 0.00 C ATOM 98 CD LYS A 8 6.744 -6.064 -10.750 1.00 0.00 C ATOM 99 CE LYS A 8 7.480 -7.381 -10.477 1.00 0.00 C ATOM 100 NZ LYS A 8 8.924 -7.171 -10.265 1.00 0.00 N ATOM 0 H LYS A 8 4.991 -4.532 -7.614 1.00 0.00 H new ATOM 0 HA LYS A 8 6.905 -2.743 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.922 -4.207 -10.055 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.318 -3.355 -10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.838 -4.813 -9.361 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.463 -5.631 -8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.703 -6.273 -10.994 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.183 -5.575 -11.620 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.050 -7.861 -9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.331 -8.060 -11.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.396 -8.091 -10.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.327 -6.675 -11.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.070 -6.599 -9.409 1.00 0.00 H new ATOM 114 N SER A 9 3.958 -1.470 -9.029 1.00 0.00 N ATOM 115 CA SER A 9 3.260 -0.247 -9.393 1.00 0.00 C ATOM 116 C SER A 9 3.481 0.844 -8.337 1.00 0.00 C ATOM 117 O SER A 9 3.773 2.000 -8.639 1.00 0.00 O ATOM 118 CB SER A 9 1.757 -0.549 -9.515 1.00 0.00 C ATOM 119 OG SER A 9 1.527 -1.872 -9.965 1.00 0.00 O ATOM 0 H SER A 9 3.336 -2.231 -8.758 1.00 0.00 H new ATOM 0 HA SER A 9 3.651 0.114 -10.344 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.276 -0.404 -8.548 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.298 0.157 -10.208 1.00 0.00 H new ATOM 0 HG SER A 9 1.533 -2.484 -9.199 1.00 0.00 H new ATOM 125 N CYS A 10 3.327 0.444 -7.074 1.00 0.00 N ATOM 126 CA CYS A 10 3.356 1.283 -5.886 1.00 0.00 C ATOM 127 C CYS A 10 4.711 1.969 -5.742 1.00 0.00 C ATOM 128 O CYS A 10 4.797 3.089 -5.225 1.00 0.00 O ATOM 129 CB CYS A 10 3.008 0.435 -4.656 1.00 0.00 C ATOM 130 SG CYS A 10 1.694 -0.810 -4.858 1.00 0.00 S ATOM 0 H CYS A 10 3.169 -0.537 -6.844 1.00 0.00 H new ATOM 0 HA CYS A 10 2.611 2.073 -5.978 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.913 -0.077 -4.330 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.716 1.109 -3.851 1.00 0.00 H new ATOM 0 HG CYS A 10 1.519 -1.443 -3.736 1.00 0.00 H new ATOM 135 N ILE A 11 5.764 1.301 -6.237 1.00 0.00 N ATOM 136 CA ILE A 11 7.113 1.850 -6.305 1.00 0.00 C ATOM 137 C ILE A 11 7.061 3.288 -6.825 1.00 0.00 C ATOM 138 O ILE A 11 7.807 4.130 -6.330 1.00 0.00 O ATOM 139 CB ILE A 11 8.022 0.982 -7.199 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.279 -0.369 -6.511 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.358 1.673 -7.526 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.166 -1.320 -7.320 1.00 0.00 C ATOM 0 H ILE A 11 5.694 0.352 -6.604 1.00 0.00 H new ATOM 0 HA ILE A 11 7.538 1.849 -5.301 1.00 0.00 H new ATOM 0 HB ILE A 11 7.504 0.827 -8.146 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.745 -0.189 -5.542 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.323 -0.855 -6.319 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.960 1.020 -8.157 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.165 2.608 -8.051 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.896 1.881 -6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.300 -2.250 -6.768 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.693 -1.532 -8.279 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.137 -0.855 -7.490 1.00 0.00 H new ATOM 154 N GLY A 12 6.171 3.566 -7.789 1.00 0.00 N ATOM 155 CA GLY A 12 5.977 4.882 -8.375 1.00 0.00 C ATOM 156 C GLY A 12 5.961 6.016 -7.346 1.00 0.00 C ATOM 157 O GLY A 12 6.471 7.096 -7.636 1.00 0.00 O ATOM 0 H GLY A 12 5.555 2.857 -8.187 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.772 5.069 -9.097 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.037 4.890 -8.926 1.00 0.00 H new ATOM 161 N CYS A 13 5.377 5.786 -6.162 1.00 0.00 N ATOM 162 CA CYS A 13 5.313 6.797 -5.107 1.00 0.00 C ATOM 163 C CYS A 13 6.171 6.414 -3.906 1.00 0.00 C ATOM 164 O CYS A 13 6.727 7.288 -3.248 1.00 0.00 O ATOM 165 CB CYS A 13 3.872 6.977 -4.631 1.00 0.00 C ATOM 166 SG CYS A 13 2.818 7.984 -5.706 1.00 0.00 S ATOM 0 H CYS A 13 4.939 4.899 -5.913 1.00 0.00 H new ATOM 0 HA CYS A 13 5.692 7.726 -5.533 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.417 5.992 -4.524 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.889 7.430 -3.640 1.00 0.00 H new ATOM 0 HG CYS A 13 1.624 8.059 -5.196 1.00 0.00 H new ATOM 171 N HIS A 14 6.244 5.121 -3.590 1.00 0.00 N ATOM 172 CA HIS A 14 6.892 4.625 -2.391 1.00 0.00 C ATOM 173 C HIS A 14 8.378 4.318 -2.532 1.00 0.00 C ATOM 174 O HIS A 14 9.126 4.382 -1.556 1.00 0.00 O ATOM 175 CB HIS A 14 6.117 3.376 -2.004 1.00 0.00 C ATOM 176 CG HIS A 14 4.784 3.731 -1.414 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.686 4.511 -0.276 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.492 3.545 -1.842 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.382 4.678 -0.024 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.594 4.070 -0.915 1.00 0.00 N ATOM 0 H HIS A 14 5.847 4.384 -4.173 1.00 0.00 H new ATOM 0 HA HIS A 14 6.871 5.405 -1.630 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.974 2.746 -2.882 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.694 2.794 -1.285 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.212 3.061 -2.766 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.006 5.246 0.814 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.576 4.005 -0.916 1.00 0.00 H new ATOM 188 N GLY A 15 8.812 3.976 -3.737 1.00 0.00 N ATOM 189 CA GLY A 15 10.188 3.604 -4.000 1.00 0.00 C ATOM 190 C GLY A 15 10.365 2.098 -3.842 1.00 0.00 C ATOM 191 O GLY A 15 9.526 1.419 -3.246 1.00 0.00 O ATOM 0 H GLY A 15 8.213 3.950 -4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.468 3.907 -5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.852 4.130 -3.314 1.00 0.00 H new ATOM 195 N ALA A 16 11.459 1.569 -4.399 1.00 0.00 N ATOM 196 CA ALA A 16 11.766 0.148 -4.341 1.00 0.00 C ATOM 197 C ALA A 16 11.717 -0.326 -2.892 1.00 0.00 C ATOM 198 O ALA A 16 10.926 -1.194 -2.543 1.00 0.00 O ATOM 199 CB ALA A 16 13.135 -0.117 -4.977 1.00 0.00 C ATOM 0 H ALA A 16 12.154 2.120 -4.902 1.00 0.00 H new ATOM 0 HA ALA A 16 11.023 -0.415 -4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.358 -1.183 -4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.121 0.205 -6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.901 0.438 -4.436 1.00 0.00 H new ATOM 205 N ASP A 17 12.510 0.312 -2.032 1.00 0.00 N ATOM 206 CA ASP A 17 12.602 -0.001 -0.612 1.00 0.00 C ATOM 207 C ASP A 17 11.538 0.719 0.227 1.00 0.00 C ATOM 208 O ASP A 17 11.818 1.107 1.355 1.00 0.00 O ATOM 209 CB ASP A 17 14.009 0.343 -0.113 1.00 0.00 C ATOM 210 CG ASP A 17 14.361 1.831 -0.176 1.00 0.00 C ATOM 211 OD1 ASP A 17 13.613 2.586 -0.839 1.00 0.00 O ATOM 212 OD2 ASP A 17 15.402 2.184 0.417 1.00 0.00 O ATOM 0 H ASP A 17 13.120 1.079 -2.313 1.00 0.00 H new ATOM 0 HA ASP A 17 12.412 -1.068 -0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.108 0.003 0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.736 -0.214 -0.704 1.00 0.00 H new ATOM 217 N GLY A 18 10.348 0.932 -0.338 1.00 0.00 N ATOM 218 CA GLY A 18 9.180 1.588 0.250 1.00 0.00 C ATOM 219 C GLY A 18 9.482 2.726 1.232 1.00 0.00 C ATOM 220 O GLY A 18 8.791 2.859 2.246 1.00 0.00 O ATOM 0 H GLY A 18 10.162 0.626 -1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.563 1.983 -0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.585 0.835 0.767 1.00 0.00 H new ATOM 224 N SER A 19 10.479 3.558 0.912 1.00 0.00 N ATOM 225 CA SER A 19 10.987 4.604 1.791 1.00 0.00 C ATOM 226 C SER A 19 10.464 6.009 1.498 1.00 0.00 C ATOM 227 O SER A 19 10.432 6.830 2.413 1.00 0.00 O ATOM 228 CB SER A 19 12.517 4.615 1.731 1.00 0.00 C ATOM 229 OG SER A 19 13.026 3.410 2.258 1.00 0.00 O ATOM 0 H SER A 19 10.962 3.518 0.015 1.00 0.00 H new ATOM 0 HA SER A 19 10.619 4.354 2.786 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.848 4.740 0.700 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.906 5.462 2.296 1.00 0.00 H new ATOM 0 HG SER A 19 12.623 2.651 1.787 1.00 0.00 H new ATOM 235 N LYS A 20 10.106 6.347 0.255 1.00 0.00 N ATOM 236 CA LYS A 20 9.702 7.682 -0.067 1.00 0.00 C ATOM 237 C LYS A 20 8.345 7.959 0.587 1.00 0.00 C ATOM 238 O LYS A 20 7.396 7.190 0.423 1.00 0.00 O ATOM 239 CB LYS A 20 9.706 7.724 -1.594 1.00 0.00 C ATOM 240 CG LYS A 20 9.015 8.936 -2.163 1.00 0.00 C ATOM 241 CD LYS A 20 9.826 10.224 -1.968 1.00 0.00 C ATOM 242 CE LYS A 20 9.036 11.458 -2.414 1.00 0.00 C ATOM 243 NZ LYS A 20 7.909 11.733 -1.507 1.00 0.00 N ATOM 0 H LYS A 20 10.094 5.699 -0.533 1.00 0.00 H new ATOM 0 HA LYS A 20 10.355 8.469 0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.737 7.704 -1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.220 6.826 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.836 8.781 -3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.040 9.050 -1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.101 10.327 -0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.754 10.160 -2.536 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.698 12.323 -2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.661 11.305 -3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.018 11.710 -2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.882 11.011 -0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.030 12.672 -1.078 1.00 0.00 H new ATOM 257 N ALA A 21 8.236 9.088 1.293 1.00 0.00 N ATOM 258 CA ALA A 21 7.041 9.499 2.023 1.00 0.00 C ATOM 259 C ALA A 21 5.950 10.074 1.104 1.00 0.00 C ATOM 260 O ALA A 21 5.326 11.079 1.450 1.00 0.00 O ATOM 261 CB ALA A 21 7.471 10.496 3.105 1.00 0.00 C ATOM 0 H ALA A 21 9.001 9.758 1.373 1.00 0.00 H new ATOM 0 HA ALA A 21 6.582 8.625 2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.596 10.821 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.180 10.017 3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.943 11.360 2.637 1.00 0.00 H new ATOM 267 N ALA A 22 5.718 9.397 -0.029 1.00 0.00 N ATOM 268 CA ALA A 22 4.758 9.653 -1.099 1.00 0.00 C ATOM 269 C ALA A 22 4.295 11.113 -1.249 1.00 0.00 C ATOM 270 O ALA A 22 5.126 12.020 -1.271 1.00 0.00 O ATOM 271 CB ALA A 22 3.615 8.644 -0.976 1.00 0.00 C ATOM 0 H ALA A 22 6.265 8.561 -0.236 1.00 0.00 H new ATOM 0 HA ALA A 22 5.275 9.502 -2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.887 8.820 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.011 7.633 -1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.131 8.759 -0.006 1.00 0.00 H new ATOM 277 N MET A 23 2.987 11.351 -1.421 1.00 0.00 N ATOM 278 CA MET A 23 2.437 12.686 -1.640 1.00 0.00 C ATOM 279 C MET A 23 2.500 13.585 -0.397 1.00 0.00 C ATOM 280 O MET A 23 1.469 13.934 0.176 1.00 0.00 O ATOM 281 CB MET A 23 1.001 12.604 -2.178 1.00 0.00 C ATOM 282 CG MET A 23 0.899 11.925 -3.545 1.00 0.00 C ATOM 283 SD MET A 23 -0.747 12.035 -4.293 1.00 0.00 S ATOM 284 CE MET A 23 -0.610 13.611 -5.166 1.00 0.00 C ATOM 0 H MET A 23 2.281 10.615 -1.411 1.00 0.00 H new ATOM 0 HA MET A 23 3.074 13.156 -2.390 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.384 12.059 -1.463 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.590 13.611 -2.250 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.626 12.377 -4.220 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.171 10.875 -3.440 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.547 13.824 -5.681 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.400 14.406 -4.451 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.199 13.555 -5.894 1.00 0.00 H new ATOM 294 N GLY A 24 3.708 13.989 -0.005 1.00 0.00 N ATOM 295 CA GLY A 24 3.930 14.955 1.057 1.00 0.00 C ATOM 296 C GLY A 24 3.658 14.415 2.458 1.00 0.00 C ATOM 297 O GLY A 24 2.657 14.767 3.077 1.00 0.00 O ATOM 0 H GLY A 24 4.571 13.645 -0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.962 15.303 1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.293 15.822 0.884 1.00 0.00 H new ATOM 301 N SER A 25 4.559 13.573 2.964 1.00 0.00 N ATOM 302 CA SER A 25 4.537 13.065 4.330 1.00 0.00 C ATOM 303 C SER A 25 3.537 11.928 4.531 1.00 0.00 C ATOM 304 O SER A 25 2.530 12.068 5.225 1.00 0.00 O ATOM 305 CB SER A 25 4.367 14.189 5.365 1.00 0.00 C ATOM 306 OG SER A 25 5.306 15.217 5.105 1.00 0.00 O ATOM 0 H SER A 25 5.344 13.218 2.418 1.00 0.00 H new ATOM 0 HA SER A 25 5.519 12.626 4.503 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.354 14.588 5.321 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.511 13.796 6.371 1.00 0.00 H new ATOM 0 HG SER A 25 5.197 15.934 5.764 1.00 0.00 H new ATOM 312 N ALA A 26 3.849 10.791 3.915 1.00 0.00 N ATOM 313 CA ALA A 26 3.176 9.521 4.118 1.00 0.00 C ATOM 314 C ALA A 26 4.084 8.669 5.003 1.00 0.00 C ATOM 315 O ALA A 26 5.299 8.703 4.808 1.00 0.00 O ATOM 316 CB ALA A 26 3.013 8.826 2.769 1.00 0.00 C ATOM 0 H ALA A 26 4.607 10.732 3.236 1.00 0.00 H new ATOM 0 HA ALA A 26 2.197 9.663 4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.508 7.870 2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.420 9.455 2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.994 8.656 2.326 1.00 0.00 H new ATOM 322 N LYS A 27 3.541 7.916 5.967 1.00 0.00 N ATOM 323 CA LYS A 27 4.373 7.005 6.748 1.00 0.00 C ATOM 324 C LYS A 27 5.046 6.051 5.760 1.00 0.00 C ATOM 325 O LYS A 27 4.330 5.420 4.979 1.00 0.00 O ATOM 326 CB LYS A 27 3.536 6.167 7.721 1.00 0.00 C ATOM 327 CG LYS A 27 2.876 7.021 8.801 1.00 0.00 C ATOM 328 CD LYS A 27 1.843 6.196 9.580 1.00 0.00 C ATOM 329 CE LYS A 27 0.932 7.098 10.420 1.00 0.00 C ATOM 330 NZ LYS A 27 0.013 7.883 9.574 1.00 0.00 N ATOM 0 H LYS A 27 2.552 7.920 6.218 1.00 0.00 H new ATOM 0 HA LYS A 27 5.091 7.585 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.767 5.629 7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.172 5.418 8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.634 7.404 9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.392 7.885 8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.240 5.613 8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.356 5.486 10.230 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.355 6.487 11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.542 7.774 11.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.687 8.364 10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.554 8.591 9.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.477 7.248 8.912 1.00 0.00 H new ATOM 344 N PRO A 28 6.383 5.939 5.739 1.00 0.00 N ATOM 345 CA PRO A 28 7.036 5.021 4.832 1.00 0.00 C ATOM 346 C PRO A 28 6.475 3.617 5.014 1.00 0.00 C ATOM 347 O PRO A 28 6.146 3.205 6.125 1.00 0.00 O ATOM 348 CB PRO A 28 8.528 5.088 5.156 1.00 0.00 C ATOM 349 CG PRO A 28 8.690 6.480 5.767 1.00 0.00 C ATOM 350 CD PRO A 28 7.362 6.704 6.494 1.00 0.00 C ATOM 0 HA PRO A 28 6.866 5.286 3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.824 4.305 5.854 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.140 4.967 4.262 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.536 6.522 6.453 1.00 0.00 H new ATOM 0 HG3 PRO A 28 8.862 7.237 5.002 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.416 6.363 7.528 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.101 7.762 6.520 1.00 0.00 H new ATOM 358 N VAL A 29 6.341 2.899 3.906 1.00 0.00 N ATOM 359 CA VAL A 29 5.767 1.568 3.877 1.00 0.00 C ATOM 360 C VAL A 29 6.766 0.572 4.447 1.00 0.00 C ATOM 361 O VAL A 29 6.370 -0.347 5.161 1.00 0.00 O ATOM 362 CB VAL A 29 5.499 1.229 2.404 1.00 0.00 C ATOM 363 CG1 VAL A 29 5.113 -0.232 2.164 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.370 2.108 1.863 1.00 0.00 C ATOM 0 H VAL A 29 6.635 3.235 2.989 1.00 0.00 H new ATOM 0 HA VAL A 29 4.851 1.524 4.466 1.00 0.00 H new ATOM 0 HB VAL A 29 6.440 1.413 1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.940 -0.393 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.920 -0.882 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.204 -0.464 2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.186 1.861 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.463 1.933 2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.655 3.157 1.944 1.00 0.00 H new ATOM 374 N LYS A 30 8.037 0.751 4.062 1.00 0.00 N ATOM 375 CA LYS A 30 9.177 -0.086 4.394 1.00 0.00 C ATOM 376 C LYS A 30 9.004 -0.770 5.756 1.00 0.00 C ATOM 377 O LYS A 30 9.302 -0.181 6.795 1.00 0.00 O ATOM 378 CB LYS A 30 10.436 0.783 4.376 1.00 0.00 C ATOM 379 CG LYS A 30 11.688 -0.081 4.576 1.00 0.00 C ATOM 380 CD LYS A 30 12.974 0.749 4.615 1.00 0.00 C ATOM 381 CE LYS A 30 14.190 -0.158 4.841 1.00 0.00 C ATOM 382 NZ LYS A 30 14.378 -1.120 3.738 1.00 0.00 N ATOM 0 H LYS A 30 8.304 1.539 3.472 1.00 0.00 H new ATOM 0 HA LYS A 30 9.262 -0.883 3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.503 1.317 3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.377 1.536 5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.593 -0.642 5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.755 -0.810 3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.090 1.296 3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.912 1.490 5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.085 0.455 4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.067 -0.701 5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.257 -1.655 3.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.573 -1.778 3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.437 -0.606 2.836 1.00 0.00 H new ATOM 396 N GLY A 31 8.486 -1.995 5.749 1.00 0.00 N ATOM 397 CA GLY A 31 8.300 -2.792 6.938 1.00 0.00 C ATOM 398 C GLY A 31 7.561 -2.117 8.098 1.00 0.00 C ATOM 399 O GLY A 31 8.021 -2.267 9.227 1.00 0.00 O ATOM 0 H GLY A 31 8.181 -2.462 4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.754 -3.694 6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.280 -3.109 7.295 1.00 0.00 H new ATOM 403 N GLN A 32 6.425 -1.420 7.882 1.00 0.00 N ATOM 404 CA GLN A 32 5.642 -0.935 9.045 1.00 0.00 C ATOM 405 C GLN A 32 5.355 -2.146 9.942 1.00 0.00 C ATOM 406 O GLN A 32 5.607 -2.174 11.143 1.00 0.00 O ATOM 407 CB GLN A 32 4.326 -0.215 8.676 1.00 0.00 C ATOM 408 CG GLN A 32 4.474 0.754 7.503 1.00 0.00 C ATOM 409 CD GLN A 32 3.256 1.653 7.271 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.139 1.203 7.498 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.451 2.878 6.764 1.00 0.00 N ATOM 0 H GLN A 32 6.042 -1.188 6.965 1.00 0.00 H new ATOM 0 HA GLN A 32 6.237 -0.178 9.555 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.569 -0.960 8.429 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.963 0.332 9.546 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.348 1.383 7.674 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.666 0.181 6.596 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.399 3.213 6.590 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.652 3.475 6.552 1.00 0.00 H new ATOM 420 N GLY A 33 4.833 -3.154 9.257 1.00 0.00 N ATOM 421 CA GLY A 33 4.602 -4.527 9.701 1.00 0.00 C ATOM 422 C GLY A 33 3.379 -5.106 9.023 1.00 0.00 C ATOM 423 O GLY A 33 2.397 -4.403 8.864 1.00 0.00 O ATOM 0 H GLY A 33 4.533 -3.023 8.291 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.475 -5.140 9.475 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.469 -4.548 10.783 1.00 0.00 H new ATOM 427 N ALA A 34 3.416 -6.374 8.628 1.00 0.00 N ATOM 428 CA ALA A 34 2.327 -7.061 7.948 1.00 0.00 C ATOM 429 C ALA A 34 0.946 -6.757 8.531 1.00 0.00 C ATOM 430 O ALA A 34 0.003 -6.536 7.779 1.00 0.00 O ATOM 431 CB ALA A 34 2.612 -8.556 7.990 1.00 0.00 C ATOM 0 H ALA A 34 4.231 -6.969 8.778 1.00 0.00 H new ATOM 0 HA ALA A 34 2.289 -6.696 6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.809 -9.094 7.486 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.557 -8.760 7.487 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.674 -8.886 9.027 1.00 0.00 H new ATOM 437 N GLU A 35 0.817 -6.739 9.858 1.00 0.00 N ATOM 438 CA GLU A 35 -0.418 -6.437 10.537 1.00 0.00 C ATOM 439 C GLU A 35 -0.866 -5.016 10.191 1.00 0.00 C ATOM 440 O GLU A 35 -2.000 -4.808 9.756 1.00 0.00 O ATOM 441 CB GLU A 35 -0.138 -6.596 12.031 1.00 0.00 C ATOM 442 CG GLU A 35 0.108 -8.060 12.417 1.00 0.00 C ATOM 443 CD GLU A 35 0.358 -8.195 13.915 1.00 0.00 C ATOM 444 OE1 GLU A 35 1.525 -7.989 14.312 1.00 0.00 O ATOM 445 OE2 GLU A 35 -0.622 -8.486 14.632 1.00 0.00 O ATOM 0 H GLU A 35 1.590 -6.939 10.492 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.226 -7.103 10.234 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.732 -5.998 12.302 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.982 -6.208 12.601 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.753 -8.665 12.132 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.965 -8.446 11.865 1.00 0.00 H new ATOM 452 N GLU A 36 0.045 -4.054 10.379 1.00 0.00 N ATOM 453 CA GLU A 36 -0.171 -2.651 10.077 1.00 0.00 C ATOM 454 C GLU A 36 -0.554 -2.541 8.609 1.00 0.00 C ATOM 455 O GLU A 36 -1.665 -2.159 8.269 1.00 0.00 O ATOM 456 CB GLU A 36 1.126 -1.859 10.345 1.00 0.00 C ATOM 457 CG GLU A 36 1.433 -1.697 11.835 1.00 0.00 C ATOM 458 CD GLU A 36 0.439 -0.762 12.519 1.00 0.00 C ATOM 459 OE1 GLU A 36 0.332 0.392 12.051 1.00 0.00 O ATOM 460 OE2 GLU A 36 -0.205 -1.222 13.487 1.00 0.00 O ATOM 0 H GLU A 36 0.974 -4.244 10.755 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.963 -2.242 10.704 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.961 -2.366 9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.044 -0.873 9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.407 -2.673 12.320 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.443 -1.307 11.958 1.00 0.00 H new ATOM 467 N LEU A 37 0.385 -2.920 7.750 1.00 0.00 N ATOM 468 CA LEU A 37 0.281 -2.877 6.312 1.00 0.00 C ATOM 469 C LEU A 37 -1.035 -3.479 5.833 1.00 0.00 C ATOM 470 O LEU A 37 -1.702 -2.869 5.010 1.00 0.00 O ATOM 471 CB LEU A 37 1.497 -3.589 5.718 1.00 0.00 C ATOM 472 CG LEU A 37 2.800 -2.789 5.909 1.00 0.00 C ATOM 473 CD1 LEU A 37 4.003 -3.710 5.711 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.892 -1.632 4.914 1.00 0.00 C ATOM 0 H LEU A 37 1.285 -3.284 8.064 1.00 0.00 H new ATOM 0 HA LEU A 37 0.276 -1.842 5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.604 -4.569 6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.331 -3.759 4.654 1.00 0.00 H new ATOM 0 HG LEU A 37 2.798 -2.381 6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.923 -3.141 5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.966 -4.519 6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.980 -4.128 4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.822 -1.087 5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.872 -2.024 3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.047 -0.959 5.060 1.00 0.00 H new ATOM 486 N TYR A 38 -1.435 -4.653 6.328 1.00 0.00 N ATOM 487 CA TYR A 38 -2.699 -5.249 5.917 1.00 0.00 C ATOM 488 C TYR A 38 -3.875 -4.366 6.303 1.00 0.00 C ATOM 489 O TYR A 38 -4.709 -4.048 5.461 1.00 0.00 O ATOM 490 CB TYR A 38 -2.883 -6.678 6.447 1.00 0.00 C ATOM 491 CG TYR A 38 -4.179 -7.335 5.984 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.491 -7.415 4.611 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.109 -7.808 6.929 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.721 -7.955 4.190 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.339 -8.346 6.507 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.643 -8.428 5.138 1.00 0.00 C ATOM 497 OH TYR A 38 -7.840 -8.955 4.746 1.00 0.00 O ATOM 0 H TYR A 38 -0.906 -5.201 7.006 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.667 -5.322 4.830 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.040 -7.288 6.124 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.864 -6.658 7.537 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.782 -7.060 3.878 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.877 -7.758 7.983 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.956 -8.006 3.137 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.052 -8.697 7.238 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.768 -9.280 3.824 1.00 0.00 H new ATOM 507 N LYS A 39 -3.947 -3.961 7.568 1.00 0.00 N ATOM 508 CA LYS A 39 -5.058 -3.160 8.044 1.00 0.00 C ATOM 509 C LYS A 39 -5.148 -1.840 7.279 1.00 0.00 C ATOM 510 O LYS A 39 -6.224 -1.427 6.857 1.00 0.00 O ATOM 511 CB LYS A 39 -4.883 -2.913 9.552 1.00 0.00 C ATOM 512 CG LYS A 39 -6.181 -3.108 10.340 1.00 0.00 C ATOM 513 CD LYS A 39 -6.619 -4.579 10.462 1.00 0.00 C ATOM 514 CE LYS A 39 -5.668 -5.456 11.296 1.00 0.00 C ATOM 515 NZ LYS A 39 -4.601 -6.087 10.493 1.00 0.00 N ATOM 0 H LYS A 39 -3.247 -4.177 8.277 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.991 -3.696 7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.122 -3.590 9.941 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.517 -1.898 9.709 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.054 -2.692 11.340 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.977 -2.541 9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.613 -4.614 10.909 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.704 -5.005 9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.213 -4.846 12.077 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.246 -6.234 11.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.462 -7.068 10.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.874 -6.083 9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.715 -5.555 10.613 1.00 0.00 H new ATOM 529 N LYS A 40 -4.010 -1.177 7.102 1.00 0.00 N ATOM 530 CA LYS A 40 -3.878 0.097 6.453 1.00 0.00 C ATOM 531 C LYS A 40 -4.155 -0.023 4.951 1.00 0.00 C ATOM 532 O LYS A 40 -4.857 0.817 4.392 1.00 0.00 O ATOM 533 CB LYS A 40 -2.462 0.575 6.765 1.00 0.00 C ATOM 534 CG LYS A 40 -2.185 0.783 8.268 1.00 0.00 C ATOM 535 CD LYS A 40 -2.850 2.045 8.818 1.00 0.00 C ATOM 536 CE LYS A 40 -2.492 2.311 10.285 1.00 0.00 C ATOM 537 NZ LYS A 40 -1.041 2.489 10.472 1.00 0.00 N ATOM 0 H LYS A 40 -3.116 -1.544 7.429 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.607 0.823 6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.750 -0.151 6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.283 1.513 6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.543 -0.084 8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.109 0.843 8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.550 2.901 8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.932 1.951 8.723 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.015 3.203 10.631 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.838 1.480 10.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.652 1.664 10.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.580 2.582 9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.866 3.347 11.033 1.00 0.00 H new ATOM 551 N MET A 41 -3.635 -1.061 4.286 1.00 0.00 N ATOM 552 CA MET A 41 -3.873 -1.270 2.863 1.00 0.00 C ATOM 553 C MET A 41 -5.351 -1.604 2.634 1.00 0.00 C ATOM 554 O MET A 41 -5.969 -1.111 1.692 1.00 0.00 O ATOM 555 CB MET A 41 -2.847 -2.235 2.239 1.00 0.00 C ATOM 556 CG MET A 41 -3.073 -3.749 2.331 1.00 0.00 C ATOM 557 SD MET A 41 -4.153 -4.369 1.048 1.00 0.00 S ATOM 558 CE MET A 41 -3.240 -3.806 -0.408 1.00 0.00 C ATOM 0 H MET A 41 -3.044 -1.771 4.719 1.00 0.00 H new ATOM 0 HA MET A 41 -3.695 -0.348 2.309 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.763 -1.982 1.182 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.880 -2.022 2.695 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.112 -4.259 2.268 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.499 -3.989 3.305 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.328 -4.548 -1.202 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.652 -2.857 -0.751 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.189 -3.673 -0.150 1.00 0.00 H new ATOM 568 N LYS A 42 -5.947 -2.388 3.537 1.00 0.00 N ATOM 569 CA LYS A 42 -7.385 -2.622 3.524 1.00 0.00 C ATOM 570 C LYS A 42 -8.084 -1.268 3.721 1.00 0.00 C ATOM 571 O LYS A 42 -9.026 -0.939 3.008 1.00 0.00 O ATOM 572 CB LYS A 42 -7.762 -3.650 4.601 1.00 0.00 C ATOM 573 CG LYS A 42 -9.091 -4.345 4.283 1.00 0.00 C ATOM 574 CD LYS A 42 -9.252 -5.565 5.198 1.00 0.00 C ATOM 575 CE LYS A 42 -10.446 -6.425 4.774 1.00 0.00 C ATOM 576 NZ LYS A 42 -10.478 -7.689 5.530 1.00 0.00 N ATOM 0 H LYS A 42 -5.450 -2.870 4.286 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.710 -3.044 2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.972 -4.396 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.834 -3.153 5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.921 -3.654 4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.113 -4.654 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.342 -6.164 5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.387 -5.235 6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.372 -5.875 4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.386 -6.636 3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.314 -8.240 5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.618 -8.237 5.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.524 -7.483 6.548 1.00 0.00 H new ATOM 590 N GLY A 43 -7.578 -0.462 4.660 1.00 0.00 N ATOM 591 CA GLY A 43 -8.013 0.901 4.932 1.00 0.00 C ATOM 592 C GLY A 43 -8.029 1.739 3.653 1.00 0.00 C ATOM 593 O GLY A 43 -8.932 2.556 3.456 1.00 0.00 O ATOM 0 H GLY A 43 -6.821 -0.760 5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.009 0.887 5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.347 1.360 5.663 1.00 0.00 H new ATOM 597 N TYR A 44 -7.006 1.560 2.809 1.00 0.00 N ATOM 598 CA TYR A 44 -6.915 2.183 1.496 1.00 0.00 C ATOM 599 C TYR A 44 -7.961 1.606 0.551 1.00 0.00 C ATOM 600 O TYR A 44 -8.621 2.374 -0.139 1.00 0.00 O ATOM 601 CB TYR A 44 -5.501 2.085 0.895 1.00 0.00 C ATOM 602 CG TYR A 44 -4.565 3.152 1.409 1.00 0.00 C ATOM 603 CD1 TYR A 44 -4.965 4.490 1.290 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.356 2.842 2.061 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.307 5.484 2.020 1.00 0.00 C ATOM 606 CE2 TYR A 44 -2.643 3.861 2.715 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.172 5.160 2.767 1.00 0.00 C ATOM 608 OH TYR A 44 -2.727 6.055 3.683 1.00 0.00 O ATOM 0 H TYR A 44 -6.207 0.966 3.030 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.122 3.245 1.629 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.084 1.104 1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.568 2.160 -0.190 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.782 4.753 0.634 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.980 1.830 2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.675 6.499 2.007 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.691 3.645 3.176 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.995 5.765 4.580 1.00 0.00 H new ATOM 618 N ALA A 45 -8.149 0.284 0.505 1.00 0.00 N ATOM 619 CA ALA A 45 -9.210 -0.300 -0.317 1.00 0.00 C ATOM 620 C ALA A 45 -10.567 0.294 0.081 1.00 0.00 C ATOM 621 O ALA A 45 -11.394 0.600 -0.774 1.00 0.00 O ATOM 622 CB ALA A 45 -9.194 -1.827 -0.218 1.00 0.00 C ATOM 0 H ALA A 45 -7.588 -0.394 1.021 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.034 -0.050 -1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.991 -2.240 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.232 -2.204 -0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.348 -2.126 0.819 1.00 0.00 H new ATOM 628 N ASP A 46 -10.766 0.513 1.384 1.00 0.00 N ATOM 629 CA ASP A 46 -11.963 1.129 1.943 1.00 0.00 C ATOM 630 C ASP A 46 -11.925 2.662 1.821 1.00 0.00 C ATOM 631 O ASP A 46 -12.789 3.334 2.381 1.00 0.00 O ATOM 632 CB ASP A 46 -12.106 0.723 3.420 1.00 0.00 C ATOM 633 CG ASP A 46 -12.166 -0.788 3.638 1.00 0.00 C ATOM 634 OD1 ASP A 46 -12.819 -1.465 2.814 1.00 0.00 O ATOM 635 OD2 ASP A 46 -11.566 -1.241 4.638 1.00 0.00 O ATOM 0 H ASP A 46 -10.079 0.259 2.094 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.823 0.775 1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.265 1.129 3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.010 1.176 3.826 1.00 0.00 H new ATOM 640 N GLY A 47 -10.917 3.230 1.146 1.00 0.00 N ATOM 641 CA GLY A 47 -10.713 4.659 0.938 1.00 0.00 C ATOM 642 C GLY A 47 -10.828 5.491 2.216 1.00 0.00 C ATOM 643 O GLY A 47 -11.144 6.676 2.148 1.00 0.00 O ATOM 0 H GLY A 47 -10.185 2.669 0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.727 4.816 0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.444 5.019 0.214 1.00 0.00 H new ATOM 647 N SER A 48 -10.525 4.898 3.373 1.00 0.00 N ATOM 648 CA SER A 48 -10.716 5.533 4.671 1.00 0.00 C ATOM 649 C SER A 48 -9.400 5.951 5.321 1.00 0.00 C ATOM 650 O SER A 48 -9.305 7.034 5.896 1.00 0.00 O ATOM 651 CB SER A 48 -11.478 4.561 5.577 1.00 0.00 C ATOM 652 OG SER A 48 -12.741 4.253 5.018 1.00 0.00 O ATOM 0 H SER A 48 -10.137 3.956 3.432 1.00 0.00 H new ATOM 0 HA SER A 48 -11.287 6.450 4.525 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.899 3.647 5.709 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.608 5.001 6.566 1.00 0.00 H new ATOM 0 HG SER A 48 -12.617 3.826 4.144 1.00 0.00 H new ATOM 658 N TYR A 49 -8.373 5.104 5.240 1.00 0.00 N ATOM 659 CA TYR A 49 -7.120 5.348 5.943 1.00 0.00 C ATOM 660 C TYR A 49 -6.276 6.492 5.342 1.00 0.00 C ATOM 661 O TYR A 49 -5.267 6.252 4.683 1.00 0.00 O ATOM 662 CB TYR A 49 -6.350 4.024 6.056 1.00 0.00 C ATOM 663 CG TYR A 49 -5.014 4.174 6.750 1.00 0.00 C ATOM 664 CD1 TYR A 49 -4.944 4.833 7.993 1.00 0.00 C ATOM 665 CD2 TYR A 49 -3.850 4.028 5.981 1.00 0.00 C ATOM 666 CE1 TYR A 49 -3.742 5.434 8.406 1.00 0.00 C ATOM 667 CE2 TYR A 49 -2.678 4.701 6.353 1.00 0.00 C ATOM 668 CZ TYR A 49 -2.618 5.405 7.565 1.00 0.00 C ATOM 669 OH TYR A 49 -1.434 5.918 8.000 1.00 0.00 O ATOM 0 H TYR A 49 -8.388 4.243 4.693 1.00 0.00 H new ATOM 0 HA TYR A 49 -7.356 5.710 6.944 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -6.958 3.302 6.602 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.191 3.616 5.058 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.815 4.877 8.630 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.857 3.398 5.104 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.683 5.918 9.370 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.816 4.677 5.703 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.757 5.819 7.298 1.00 0.00 H new ATOM 679 N GLY A 50 -6.662 7.749 5.575 1.00 0.00 N ATOM 680 CA GLY A 50 -5.923 8.918 5.104 1.00 0.00 C ATOM 681 C GLY A 50 -6.885 10.020 4.673 1.00 0.00 C ATOM 682 O GLY A 50 -7.893 10.247 5.336 1.00 0.00 O ATOM 0 H GLY A 50 -7.504 7.984 6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.270 9.286 5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.283 8.638 4.267 1.00 0.00 H new ATOM 686 N GLY A 51 -6.596 10.675 3.545 1.00 0.00 N ATOM 687 CA GLY A 51 -7.411 11.737 2.981 1.00 0.00 C ATOM 688 C GLY A 51 -7.157 11.814 1.477 1.00 0.00 C ATOM 689 O GLY A 51 -6.253 11.139 0.987 1.00 0.00 O ATOM 0 H GLY A 51 -5.765 10.470 2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.466 11.545 3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.168 12.689 3.453 1.00 0.00 H new ATOM 693 N GLU A 52 -7.961 12.627 0.780 1.00 0.00 N ATOM 694 CA GLU A 52 -8.003 12.896 -0.662 1.00 0.00 C ATOM 695 C GLU A 52 -6.825 12.374 -1.501 1.00 0.00 C ATOM 696 O GLU A 52 -7.046 11.650 -2.473 1.00 0.00 O ATOM 697 CB GLU A 52 -8.281 14.394 -0.904 1.00 0.00 C ATOM 698 CG GLU A 52 -7.152 15.374 -0.539 1.00 0.00 C ATOM 699 CD GLU A 52 -6.629 15.192 0.882 1.00 0.00 C ATOM 700 OE1 GLU A 52 -7.353 15.600 1.815 1.00 0.00 O ATOM 701 OE2 GLU A 52 -5.535 14.598 1.005 1.00 0.00 O ATOM 0 H GLU A 52 -8.674 13.171 1.266 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.829 12.293 -1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.522 14.529 -1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.169 14.671 -0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.328 15.245 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.515 16.395 -0.657 1.00 0.00 H new ATOM 708 N ARG A 53 -5.587 12.735 -1.142 1.00 0.00 N ATOM 709 CA ARG A 53 -4.368 12.317 -1.829 1.00 0.00 C ATOM 710 C ARG A 53 -4.345 10.815 -2.144 1.00 0.00 C ATOM 711 O ARG A 53 -3.753 10.399 -3.137 1.00 0.00 O ATOM 712 CB ARG A 53 -3.131 12.757 -1.024 1.00 0.00 C ATOM 713 CG ARG A 53 -3.002 12.133 0.378 1.00 0.00 C ATOM 714 CD ARG A 53 -1.743 12.681 1.066 1.00 0.00 C ATOM 715 NE ARG A 53 -1.490 12.055 2.375 1.00 0.00 N ATOM 716 CZ ARG A 53 -0.375 12.273 3.094 1.00 0.00 C ATOM 717 NH1 ARG A 53 0.550 13.124 2.645 1.00 0.00 N ATOM 718 NH2 ARG A 53 -0.169 11.644 4.257 1.00 0.00 N ATOM 0 H ARG A 53 -5.405 13.343 -0.343 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.348 12.817 -2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.238 12.509 -1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.152 13.842 -0.920 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.885 12.364 0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.944 11.047 0.301 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.881 12.520 0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.846 13.758 1.197 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.196 11.425 2.755 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.410 13.608 1.758 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.397 13.291 3.189 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.864 10.987 4.611 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.683 11.822 4.789 1.00 0.00 H new ATOM 732 N LYS A 54 -5.007 10.004 -1.315 1.00 0.00 N ATOM 733 CA LYS A 54 -5.061 8.565 -1.474 1.00 0.00 C ATOM 734 C LYS A 54 -5.818 8.079 -2.715 1.00 0.00 C ATOM 735 O LYS A 54 -5.767 6.887 -2.993 1.00 0.00 O ATOM 736 CB LYS A 54 -5.672 7.944 -0.210 1.00 0.00 C ATOM 737 CG LYS A 54 -7.188 8.165 -0.049 1.00 0.00 C ATOM 738 CD LYS A 54 -7.805 7.087 0.848 1.00 0.00 C ATOM 739 CE LYS A 54 -7.436 7.254 2.327 1.00 0.00 C ATOM 740 NZ LYS A 54 -8.518 7.978 3.022 1.00 0.00 N ATOM 0 H LYS A 54 -5.526 10.343 -0.505 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.032 8.238 -1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.474 6.872 -0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.164 8.356 0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.373 9.150 0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.668 8.148 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.890 7.114 0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.476 6.106 0.506 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.282 6.278 2.787 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.498 7.802 2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.401 7.874 4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.479 8.986 2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.438 7.585 2.737 1.00 0.00 H new ATOM 754 N ALA A 55 -6.571 8.929 -3.422 1.00 0.00 N ATOM 755 CA ALA A 55 -7.435 8.505 -4.527 1.00 0.00 C ATOM 756 C ALA A 55 -6.807 7.504 -5.511 1.00 0.00 C ATOM 757 O ALA A 55 -7.369 6.434 -5.755 1.00 0.00 O ATOM 758 CB ALA A 55 -7.964 9.740 -5.261 1.00 0.00 C ATOM 0 H ALA A 55 -6.598 9.933 -3.243 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.252 7.947 -4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.607 9.427 -6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.536 10.358 -4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.126 10.316 -5.654 1.00 0.00 H new ATOM 764 N MET A 56 -5.649 7.841 -6.080 1.00 0.00 N ATOM 765 CA MET A 56 -4.963 7.002 -7.052 1.00 0.00 C ATOM 766 C MET A 56 -4.723 5.611 -6.456 1.00 0.00 C ATOM 767 O MET A 56 -5.158 4.587 -6.987 1.00 0.00 O ATOM 768 CB MET A 56 -3.637 7.668 -7.453 1.00 0.00 C ATOM 769 CG MET A 56 -3.802 8.930 -8.317 1.00 0.00 C ATOM 770 SD MET A 56 -4.439 10.435 -7.525 1.00 0.00 S ATOM 771 CE MET A 56 -3.044 10.876 -6.468 1.00 0.00 C ATOM 0 H MET A 56 -5.160 8.712 -5.875 1.00 0.00 H new ATOM 0 HA MET A 56 -5.578 6.888 -7.945 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.087 7.929 -6.549 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.030 6.945 -7.998 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.830 9.167 -8.749 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.467 8.682 -9.145 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.252 11.821 -5.967 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.892 10.096 -5.722 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.145 10.977 -7.076 1.00 0.00 H new ATOM 781 N MET A 57 -4.036 5.604 -5.315 1.00 0.00 N ATOM 782 CA MET A 57 -3.711 4.419 -4.547 1.00 0.00 C ATOM 783 C MET A 57 -4.974 3.617 -4.237 1.00 0.00 C ATOM 784 O MET A 57 -4.966 2.403 -4.401 1.00 0.00 O ATOM 785 CB MET A 57 -2.988 4.878 -3.281 1.00 0.00 C ATOM 786 CG MET A 57 -2.752 3.767 -2.254 1.00 0.00 C ATOM 787 SD MET A 57 -1.763 4.306 -0.839 1.00 0.00 S ATOM 788 CE MET A 57 -2.446 5.943 -0.502 1.00 0.00 C ATOM 0 H MET A 57 -3.680 6.460 -4.890 1.00 0.00 H new ATOM 0 HA MET A 57 -3.060 3.751 -5.111 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.027 5.308 -3.561 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.569 5.673 -2.813 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.714 3.399 -1.898 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.252 2.930 -2.742 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.126 6.274 0.486 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.090 6.647 -1.254 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.535 5.897 -0.534 1.00 0.00 H new ATOM 798 N THR A 58 -6.048 4.285 -3.803 1.00 0.00 N ATOM 799 CA THR A 58 -7.323 3.658 -3.478 1.00 0.00 C ATOM 800 C THR A 58 -7.787 2.832 -4.673 1.00 0.00 C ATOM 801 O THR A 58 -8.023 1.630 -4.551 1.00 0.00 O ATOM 802 CB THR A 58 -8.352 4.731 -3.082 1.00 0.00 C ATOM 803 OG1 THR A 58 -7.882 5.429 -1.948 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.741 4.153 -2.792 1.00 0.00 C ATOM 0 H THR A 58 -6.050 5.296 -3.667 1.00 0.00 H new ATOM 0 HA THR A 58 -7.211 2.990 -2.624 1.00 0.00 H new ATOM 0 HB THR A 58 -8.462 5.403 -3.933 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.089 5.951 -2.191 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.421 4.960 -2.518 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.117 3.647 -3.681 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.674 3.440 -1.970 1.00 0.00 H new ATOM 812 N ASN A 59 -7.891 3.469 -5.844 1.00 0.00 N ATOM 813 CA ASN A 59 -8.320 2.752 -7.035 1.00 0.00 C ATOM 814 C ASN A 59 -7.348 1.616 -7.350 1.00 0.00 C ATOM 815 O ASN A 59 -7.789 0.540 -7.746 1.00 0.00 O ATOM 816 CB ASN A 59 -8.462 3.695 -8.233 1.00 0.00 C ATOM 817 CG ASN A 59 -9.335 3.134 -9.362 1.00 0.00 C ATOM 818 OD1 ASN A 59 -9.884 3.908 -10.138 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.517 1.818 -9.493 1.00 0.00 N ATOM 0 H ASN A 59 -7.688 4.458 -5.986 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.302 2.324 -6.836 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.887 4.639 -7.892 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.471 3.917 -8.629 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.112 1.457 -10.238 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.061 1.173 -8.848 1.00 0.00 H new ATOM 826 N ALA A 60 -6.041 1.844 -7.189 1.00 0.00 N ATOM 827 CA ALA A 60 -5.046 0.822 -7.479 1.00 0.00 C ATOM 828 C ALA A 60 -5.274 -0.415 -6.606 1.00 0.00 C ATOM 829 O ALA A 60 -5.527 -1.502 -7.124 1.00 0.00 O ATOM 830 CB ALA A 60 -3.634 1.394 -7.327 1.00 0.00 C ATOM 0 H ALA A 60 -5.653 2.728 -6.860 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.153 0.502 -8.516 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.901 0.618 -7.547 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.502 2.225 -8.020 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.493 1.747 -6.306 1.00 0.00 H new ATOM 836 N VAL A 61 -5.223 -0.260 -5.279 1.00 0.00 N ATOM 837 CA VAL A 61 -5.420 -1.384 -4.373 1.00 0.00 C ATOM 838 C VAL A 61 -6.804 -2.010 -4.566 1.00 0.00 C ATOM 839 O VAL A 61 -6.947 -3.219 -4.411 1.00 0.00 O ATOM 840 CB VAL A 61 -5.152 -1.012 -2.905 1.00 0.00 C ATOM 841 CG1 VAL A 61 -3.725 -0.488 -2.710 1.00 0.00 C ATOM 842 CG2 VAL A 61 -6.156 -0.006 -2.344 1.00 0.00 C ATOM 0 H VAL A 61 -5.047 0.631 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.678 -2.139 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.274 -1.938 -2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.571 -0.235 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.011 -1.257 -3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.577 0.401 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.910 0.213 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.115 0.913 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.160 -0.426 -2.398 1.00 0.00 H new ATOM 852 N LYS A 62 -7.819 -1.220 -4.937 1.00 0.00 N ATOM 853 CA LYS A 62 -9.157 -1.743 -5.172 1.00 0.00 C ATOM 854 C LYS A 62 -9.158 -2.817 -6.267 1.00 0.00 C ATOM 855 O LYS A 62 -10.066 -3.644 -6.298 1.00 0.00 O ATOM 856 CB LYS A 62 -10.120 -0.583 -5.465 1.00 0.00 C ATOM 857 CG LYS A 62 -11.563 -1.049 -5.699 1.00 0.00 C ATOM 858 CD LYS A 62 -12.573 0.111 -5.696 1.00 0.00 C ATOM 859 CE LYS A 62 -12.614 0.909 -4.383 1.00 0.00 C ATOM 860 NZ LYS A 62 -12.728 0.033 -3.203 1.00 0.00 N ATOM 0 H LYS A 62 -7.732 -0.214 -5.080 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.510 -2.245 -4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.101 0.118 -4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.771 -0.041 -6.344 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.621 -1.572 -6.654 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.838 -1.766 -4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.331 0.790 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.567 -0.288 -5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.711 1.514 -4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.458 1.598 -4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.667 0.607 -2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.642 -0.463 -3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.956 -0.663 -3.212 1.00 0.00 H new ATOM 874 N LYS A 63 -8.162 -2.832 -7.162 1.00 0.00 N ATOM 875 CA LYS A 63 -8.100 -3.861 -8.191 1.00 0.00 C ATOM 876 C LYS A 63 -7.632 -5.212 -7.622 1.00 0.00 C ATOM 877 O LYS A 63 -7.787 -6.239 -8.279 1.00 0.00 O ATOM 878 CB LYS A 63 -7.179 -3.433 -9.342 1.00 0.00 C ATOM 879 CG LYS A 63 -7.464 -2.032 -9.904 1.00 0.00 C ATOM 880 CD LYS A 63 -8.940 -1.675 -10.149 1.00 0.00 C ATOM 881 CE LYS A 63 -9.569 -2.364 -11.369 1.00 0.00 C ATOM 882 NZ LYS A 63 -9.867 -3.788 -11.139 1.00 0.00 N ATOM 0 H LYS A 63 -7.402 -2.152 -7.190 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.112 -3.987 -8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.146 -3.467 -8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.268 -4.159 -10.150 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.046 -1.297 -9.216 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.927 -1.928 -10.847 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.516 -1.938 -9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.023 -0.595 -10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.489 -1.845 -11.637 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.893 -2.273 -12.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.495 -4.137 -11.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.982 -4.334 -11.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.335 -3.900 -10.217 1.00 0.00 H new ATOM 896 N ALA A 64 -7.026 -5.216 -6.430 1.00 0.00 N ATOM 897 CA ALA A 64 -6.456 -6.387 -5.789 1.00 0.00 C ATOM 898 C ALA A 64 -7.526 -7.166 -5.019 1.00 0.00 C ATOM 899 O ALA A 64 -8.389 -6.572 -4.377 1.00 0.00 O ATOM 900 CB ALA A 64 -5.351 -5.902 -4.847 1.00 0.00 C ATOM 0 H ALA A 64 -6.920 -4.369 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.047 -7.067 -6.537 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.898 -6.758 -4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.590 -5.373 -5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.777 -5.229 -4.103 1.00 0.00 H new ATOM 906 N SER A 65 -7.464 -8.500 -5.069 1.00 0.00 N ATOM 907 CA SER A 65 -8.381 -9.367 -4.330 1.00 0.00 C ATOM 908 C SER A 65 -7.787 -9.625 -2.943 1.00 0.00 C ATOM 909 O SER A 65 -6.605 -9.363 -2.738 1.00 0.00 O ATOM 910 CB SER A 65 -8.617 -10.663 -5.111 1.00 0.00 C ATOM 911 OG SER A 65 -7.419 -11.405 -5.220 1.00 0.00 O ATOM 0 H SER A 65 -6.775 -9.008 -5.624 1.00 0.00 H new ATOM 0 HA SER A 65 -9.353 -8.890 -4.207 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.378 -11.262 -4.610 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.998 -10.430 -6.105 1.00 0.00 H new ATOM 0 HG SER A 65 -7.443 -12.159 -4.594 1.00 0.00 H new ATOM 917 N ASP A 66 -8.560 -10.159 -1.989 1.00 0.00 N ATOM 918 CA ASP A 66 -8.073 -10.355 -0.621 1.00 0.00 C ATOM 919 C ASP A 66 -6.723 -11.075 -0.545 1.00 0.00 C ATOM 920 O ASP A 66 -5.876 -10.712 0.267 1.00 0.00 O ATOM 921 CB ASP A 66 -9.120 -11.048 0.256 1.00 0.00 C ATOM 922 CG ASP A 66 -8.643 -11.127 1.707 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.356 -10.051 2.282 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.567 -12.265 2.216 1.00 0.00 O ATOM 0 H ASP A 66 -9.522 -10.462 -2.140 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.902 -9.354 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.062 -10.502 0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.313 -12.051 -0.124 1.00 0.00 H new ATOM 929 N GLU A 67 -6.513 -12.086 -1.390 1.00 0.00 N ATOM 930 CA GLU A 67 -5.287 -12.828 -1.476 1.00 0.00 C ATOM 931 C GLU A 67 -4.130 -11.866 -1.748 1.00 0.00 C ATOM 932 O GLU A 67 -3.132 -11.841 -1.029 1.00 0.00 O ATOM 933 CB GLU A 67 -5.460 -13.839 -2.613 1.00 0.00 C ATOM 934 CG GLU A 67 -6.574 -14.879 -2.390 1.00 0.00 C ATOM 935 CD GLU A 67 -7.982 -14.394 -2.736 1.00 0.00 C ATOM 936 OE1 GLU A 67 -8.083 -13.310 -3.356 1.00 0.00 O ATOM 937 OE2 GLU A 67 -8.936 -15.108 -2.362 1.00 0.00 O ATOM 0 H GLU A 67 -7.223 -12.409 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.060 -13.352 -0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.669 -13.296 -3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.516 -14.364 -2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.352 -15.763 -2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.558 -15.189 -1.345 1.00 0.00 H new ATOM 944 N GLU A 68 -4.306 -11.056 -2.790 1.00 0.00 N ATOM 945 CA GLU A 68 -3.359 -10.050 -3.210 1.00 0.00 C ATOM 946 C GLU A 68 -3.182 -9.026 -2.085 1.00 0.00 C ATOM 947 O GLU A 68 -2.048 -8.697 -1.775 1.00 0.00 O ATOM 948 CB GLU A 68 -3.851 -9.398 -4.508 1.00 0.00 C ATOM 949 CG GLU A 68 -4.182 -10.359 -5.661 1.00 0.00 C ATOM 950 CD GLU A 68 -2.975 -11.096 -6.233 1.00 0.00 C ATOM 951 OE1 GLU A 68 -2.415 -11.946 -5.509 1.00 0.00 O ATOM 952 OE2 GLU A 68 -2.640 -10.820 -7.408 1.00 0.00 O ATOM 0 H GLU A 68 -5.140 -11.090 -3.377 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.386 -10.499 -3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.742 -8.813 -4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.089 -8.699 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.907 -11.093 -5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.661 -9.795 -6.462 1.00 0.00 H new ATOM 959 N LEU A 69 -4.267 -8.536 -1.467 1.00 0.00 N ATOM 960 CA LEU A 69 -4.209 -7.568 -0.369 1.00 0.00 C ATOM 961 C LEU A 69 -3.283 -8.090 0.738 1.00 0.00 C ATOM 962 O LEU A 69 -2.284 -7.451 1.084 1.00 0.00 O ATOM 963 CB LEU A 69 -5.617 -7.281 0.212 1.00 0.00 C ATOM 964 CG LEU A 69 -6.673 -6.597 -0.686 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.973 -6.417 0.112 1.00 0.00 C ATOM 966 CD2 LEU A 69 -6.302 -5.206 -1.215 1.00 0.00 C ATOM 0 H LEU A 69 -5.218 -8.805 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.814 -6.633 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.035 -8.231 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.487 -6.660 1.098 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.763 -7.260 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.722 -5.935 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.341 -7.392 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.780 -5.797 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.115 -4.823 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.134 -4.531 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.394 -5.275 -1.813 1.00 0.00 H new ATOM 978 N LYS A 70 -3.601 -9.272 1.277 1.00 0.00 N ATOM 979 CA LYS A 70 -2.815 -9.905 2.329 1.00 0.00 C ATOM 980 C LYS A 70 -1.367 -10.058 1.868 1.00 0.00 C ATOM 981 O LYS A 70 -0.427 -9.715 2.586 1.00 0.00 O ATOM 982 CB LYS A 70 -3.422 -11.269 2.686 1.00 0.00 C ATOM 983 CG LYS A 70 -4.761 -11.112 3.416 1.00 0.00 C ATOM 984 CD LYS A 70 -5.374 -12.439 3.890 1.00 0.00 C ATOM 985 CE LYS A 70 -5.663 -13.427 2.751 1.00 0.00 C ATOM 986 NZ LYS A 70 -4.510 -14.296 2.455 1.00 0.00 N ATOM 0 H LYS A 70 -4.416 -9.815 0.991 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.830 -9.279 3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.568 -11.853 1.777 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.726 -11.825 3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.619 -10.461 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.468 -10.613 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.696 -12.908 4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.302 -12.231 4.423 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.521 -14.044 3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.937 -12.873 1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.341 -14.311 1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.666 -13.930 2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.709 -15.261 2.787 1.00 0.00 H new ATOM 1000 N ALA A 71 -1.188 -10.563 0.649 1.00 0.00 N ATOM 1001 CA ALA A 71 0.134 -10.746 0.091 1.00 0.00 C ATOM 1002 C ALA A 71 0.868 -9.419 -0.108 1.00 0.00 C ATOM 1003 O ALA A 71 2.093 -9.397 -0.028 1.00 0.00 O ATOM 1004 CB ALA A 71 0.032 -11.534 -1.212 1.00 0.00 C ATOM 0 H ALA A 71 -1.949 -10.851 0.034 1.00 0.00 H new ATOM 0 HA ALA A 71 0.731 -11.315 0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.028 -11.672 -1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.416 -12.508 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.589 -10.986 -1.921 1.00 0.00 H new ATOM 1010 N LEU A 72 0.163 -8.307 -0.352 1.00 0.00 N ATOM 1011 CA LEU A 72 0.785 -7.024 -0.555 1.00 0.00 C ATOM 1012 C LEU A 72 1.369 -6.630 0.790 1.00 0.00 C ATOM 1013 O LEU A 72 2.544 -6.280 0.876 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.273 -6.045 -1.090 1.00 0.00 C ATOM 1015 CG LEU A 72 0.096 -5.434 -2.451 1.00 0.00 C ATOM 1016 CD1 LEU A 72 -1.077 -4.594 -2.962 1.00 0.00 C ATOM 1017 CD2 LEU A 72 1.371 -4.587 -2.427 1.00 0.00 C ATOM 0 H LEU A 72 -0.855 -8.288 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 72 1.586 -7.030 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.227 -6.565 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.415 -5.243 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 72 0.301 -6.268 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.819 -4.159 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.957 -5.227 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.291 -3.797 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.564 -4.191 -3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.246 -3.761 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.212 -5.205 -2.113 1.00 0.00 H new ATOM 1029 N ALA A 73 0.556 -6.743 1.846 1.00 0.00 N ATOM 1030 CA ALA A 73 1.015 -6.491 3.199 1.00 0.00 C ATOM 1031 C ALA A 73 2.254 -7.330 3.502 1.00 0.00 C ATOM 1032 O ALA A 73 3.271 -6.789 3.931 1.00 0.00 O ATOM 1033 CB ALA A 73 -0.107 -6.774 4.191 1.00 0.00 C ATOM 0 H ALA A 73 -0.426 -7.009 1.780 1.00 0.00 H new ATOM 0 HA ALA A 73 1.293 -5.442 3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.246 -6.582 5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.956 -6.126 3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.414 -7.816 4.105 1.00 0.00 H new ATOM 1039 N ASP A 74 2.181 -8.645 3.268 1.00 0.00 N ATOM 1040 CA ASP A 74 3.323 -9.527 3.462 1.00 0.00 C ATOM 1041 C ASP A 74 4.554 -9.009 2.710 1.00 0.00 C ATOM 1042 O ASP A 74 5.621 -8.896 3.308 1.00 0.00 O ATOM 1043 CB ASP A 74 2.984 -10.954 3.024 1.00 0.00 C ATOM 1044 CG ASP A 74 4.193 -11.869 3.198 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.443 -12.267 4.356 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.854 -12.140 2.172 1.00 0.00 O ATOM 0 H ASP A 74 1.337 -9.117 2.943 1.00 0.00 H new ATOM 0 HA ASP A 74 3.560 -9.540 4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.147 -11.332 3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.667 -10.955 1.981 1.00 0.00 H new ATOM 1051 N TYR A 75 4.414 -8.688 1.418 1.00 0.00 N ATOM 1052 CA TYR A 75 5.525 -8.203 0.610 1.00 0.00 C ATOM 1053 C TYR A 75 6.148 -6.953 1.237 1.00 0.00 C ATOM 1054 O TYR A 75 7.329 -6.937 1.575 1.00 0.00 O ATOM 1055 CB TYR A 75 5.051 -7.948 -0.826 1.00 0.00 C ATOM 1056 CG TYR A 75 6.187 -7.832 -1.820 1.00 0.00 C ATOM 1057 CD1 TYR A 75 6.904 -8.984 -2.193 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.576 -6.575 -2.316 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.012 -8.879 -3.051 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.669 -6.476 -3.195 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.392 -7.624 -3.554 1.00 0.00 C ATOM 1062 OH TYR A 75 9.444 -7.517 -4.413 1.00 0.00 O ATOM 0 H TYR A 75 3.531 -8.759 0.912 1.00 0.00 H new ATOM 0 HA TYR A 75 6.304 -8.965 0.577 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.391 -8.759 -1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.462 -7.031 -0.849 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.602 -9.951 -1.819 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.036 -5.687 -2.022 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.571 -9.762 -3.323 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.953 -5.514 -3.595 1.00 0.00 H new ATOM 0 HH TYR A 75 9.568 -6.578 -4.663 1.00 0.00 H new ATOM 1072 N MET A 76 5.343 -5.902 1.405 1.00 0.00 N ATOM 1073 CA MET A 76 5.707 -4.659 2.034 1.00 0.00 C ATOM 1074 C MET A 76 6.336 -4.864 3.420 1.00 0.00 C ATOM 1075 O MET A 76 7.222 -4.113 3.826 1.00 0.00 O ATOM 1076 CB MET A 76 4.407 -3.863 2.078 1.00 0.00 C ATOM 1077 CG MET A 76 3.980 -3.450 0.663 1.00 0.00 C ATOM 1078 SD MET A 76 2.732 -2.142 0.555 1.00 0.00 S ATOM 1079 CE MET A 76 1.307 -3.000 1.255 1.00 0.00 C ATOM 0 H MET A 76 4.374 -5.909 1.085 1.00 0.00 H new ATOM 0 HA MET A 76 6.483 -4.129 1.482 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.623 -4.462 2.540 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.538 -2.976 2.698 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.866 -3.124 0.119 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.597 -4.332 0.149 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.477 -2.301 1.361 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.013 -3.815 0.594 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.569 -3.402 2.233 1.00 0.00 H new ATOM 1089 N SER A 77 5.892 -5.894 4.144 1.00 0.00 N ATOM 1090 CA SER A 77 6.422 -6.243 5.454 1.00 0.00 C ATOM 1091 C SER A 77 7.783 -6.941 5.385 1.00 0.00 C ATOM 1092 O SER A 77 8.284 -7.341 6.437 1.00 0.00 O ATOM 1093 CB SER A 77 5.436 -7.143 6.203 1.00 0.00 C ATOM 1094 OG SER A 77 5.805 -7.231 7.571 1.00 0.00 O ATOM 0 H SER A 77 5.145 -6.513 3.829 1.00 0.00 H new ATOM 0 HA SER A 77 6.562 -5.303 5.987 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.426 -6.743 6.115 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.425 -8.137 5.756 1.00 0.00 H new ATOM 0 HG SER A 77 6.781 -7.284 7.644 1.00 0.00 H new ATOM 1100 N LYS A 78 8.355 -7.152 4.197 1.00 0.00 N ATOM 1101 CA LYS A 78 9.632 -7.824 4.018 1.00 0.00 C ATOM 1102 C LYS A 78 10.428 -6.958 3.047 1.00 0.00 C ATOM 1103 O LYS A 78 11.102 -7.467 2.152 1.00 0.00 O ATOM 1104 CB LYS A 78 9.378 -9.228 3.444 1.00 0.00 C ATOM 1105 CG LYS A 78 8.608 -10.138 4.412 1.00 0.00 C ATOM 1106 CD LYS A 78 8.037 -11.396 3.741 1.00 0.00 C ATOM 1107 CE LYS A 78 9.091 -12.290 3.075 1.00 0.00 C ATOM 1108 NZ LYS A 78 9.425 -11.838 1.712 1.00 0.00 N ATOM 0 H LYS A 78 7.930 -6.852 3.319 1.00 0.00 H new ATOM 0 HA LYS A 78 10.181 -7.947 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.818 -9.139 2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.333 -9.693 3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.271 -10.437 5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.792 -9.572 4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.501 -11.981 4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.307 -11.094 2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.995 -12.299 3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.723 -13.315 3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.517 -12.663 1.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.670 -11.217 1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.324 -11.315 1.730 1.00 0.00 H new ATOM 1122 N LEU A 79 10.307 -5.641 3.220 1.00 0.00 N ATOM 1123 CA LEU A 79 10.814 -4.637 2.342 1.00 0.00 C ATOM 1124 C LEU A 79 11.386 -3.513 3.202 1.00 0.00 C ATOM 1125 O LEU A 79 12.468 -2.997 2.847 1.00 0.00 O ATOM 1126 CB LEU A 79 9.574 -4.166 1.571 1.00 0.00 C ATOM 1127 CG LEU A 79 9.761 -4.296 0.067 1.00 0.00 C ATOM 1128 CD1 LEU A 79 8.464 -3.964 -0.676 1.00 0.00 C ATOM 1129 CD2 LEU A 79 10.863 -3.358 -0.395 1.00 0.00 C ATOM 1130 OXT LEU A 79 10.712 -3.187 4.204 1.00 0.00 O ATOM 0 H LEU A 79 9.823 -5.246 4.026 1.00 0.00 H new ATOM 0 HA LEU A 79 11.601 -4.976 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.709 -4.752 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.363 -3.127 1.823 1.00 0.00 H new ATOM 0 HG LEU A 79 10.035 -5.327 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.624 -4.064 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.678 -4.650 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.166 -2.941 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.994 -3.454 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.592 -2.331 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.795 -3.616 0.108 1.00 0.00 H new