USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 0 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 9 SER OG : rot -174:sc= 0.697 USER MOD Set 1.2: A 10 CYS SG : rot 161:sc= -0.859 USER MOD Set 1.3: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.4: A 64 TYR OH : rot -140:sc= 1.7 USER MOD Set 2.1: A 41 MET CE :methyl -159:sc= -0.817 (180deg=-1.47) USER MOD Set 2.2: A 76 MET CE :methyl -123:sc= -0.531 (180deg=-5.61!) USER MOD Set 3.1: A 27 LYS NZ :NH3+ -150:sc= -0.0219 (180deg=-0.227) USER MOD Set 3.2: A 40 LYS NZ :NH3+ -124:sc= 0.22 (180deg=-0.102) USER MOD Set 4.1: A 7 TYR OH : rot 30:sc= -0.552 USER MOD Set 4.2: A 14 HIS : no HD1:sc= -0.0815 X(o=-0.63,f=-0.86) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -134:sc= 1.41 USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= 0.87 (180deg=-0.0499) USER MOD Single : A 23 MET CE :methyl -174:sc=-0.000946 (180deg=-0.0644) USER MOD Single : A 25 SER OG : rot -63:sc= 0.548 USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 0.377 (180deg=0.352) USER MOD Single : A 32 GLN : amide:sc= -0.235 K(o=-0.23,f=-1.3) USER MOD Single : A 38 TYR OH : rot 13:sc= 0.969 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0446) USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0568) USER MOD Single : A 44 TYR OH : rot 95:sc= 0.709 USER MOD Single : A 48 SER OG : rot -102:sc= 0.858 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -146:sc= 1.33 (180deg=-0.725) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 174:sc= -0.653 (180deg=-0.812) USER MOD Single : A 58 THR OG1 : rot -65:sc= 1.17 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0573) USER MOD Single : A 65 SER OG : rot -81:sc= 1.07 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot -32:sc= 1.21 USER MOD Single : A 77 SER OG : rot -33:sc= 0.289 USER MOD Single : A 78 LYS NZ :NH3+ 151:sc= 0.635 (180deg=-0.529) USER MOD ----------------------------------------------------------------- ATOM 6 N ASP A 2 0.835 -13.697 -3.772 1.00 0.00 N ATOM 7 CA ASP A 2 2.188 -13.168 -3.832 1.00 0.00 C ATOM 8 C ASP A 2 2.142 -11.658 -3.607 1.00 0.00 C ATOM 9 O ASP A 2 2.081 -10.889 -4.562 1.00 0.00 O ATOM 10 CB ASP A 2 2.811 -13.519 -5.189 1.00 0.00 C ATOM 11 CG ASP A 2 2.906 -15.026 -5.386 1.00 0.00 C ATOM 12 OD1 ASP A 2 1.853 -15.614 -5.719 1.00 0.00 O ATOM 13 OD2 ASP A 2 4.015 -15.561 -5.177 1.00 0.00 O ATOM 0 HA ASP A 2 2.808 -13.611 -3.053 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.212 -13.083 -5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.806 -13.078 -5.259 1.00 0.00 H new ATOM 14 N GLY A 3 2.177 -11.233 -2.341 1.00 0.00 N ATOM 15 CA GLY A 3 2.134 -9.828 -1.952 1.00 0.00 C ATOM 16 C GLY A 3 3.073 -8.970 -2.798 1.00 0.00 C ATOM 17 O GLY A 3 2.655 -7.992 -3.416 1.00 0.00 O ATOM 0 H GLY A 3 2.237 -11.870 -1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.114 -9.456 -2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.406 -9.735 -0.901 1.00 0.00 H new ATOM 18 N ALA A 4 4.341 -9.376 -2.868 1.00 0.00 N ATOM 19 CA ALA A 4 5.368 -8.685 -3.640 1.00 0.00 C ATOM 20 C ALA A 4 4.963 -8.463 -5.100 1.00 0.00 C ATOM 21 O ALA A 4 5.362 -7.470 -5.703 1.00 0.00 O ATOM 22 CB ALA A 4 6.665 -9.497 -3.584 1.00 0.00 C ATOM 0 H ALA A 4 4.686 -10.205 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 4 5.507 -7.700 -3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.438 -8.987 -4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.988 -9.595 -2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.493 -10.487 -4.006 1.00 0.00 H new ATOM 23 N ALA A 5 4.167 -9.370 -5.673 1.00 0.00 N ATOM 24 CA ALA A 5 3.749 -9.265 -7.057 1.00 0.00 C ATOM 25 C ALA A 5 2.551 -8.333 -7.179 1.00 0.00 C ATOM 26 O ALA A 5 2.327 -7.784 -8.255 1.00 0.00 O ATOM 27 CB ALA A 5 3.403 -10.653 -7.602 1.00 0.00 C ATOM 0 H ALA A 5 3.801 -10.189 -5.187 1.00 0.00 H new ATOM 0 HA ALA A 5 4.568 -8.850 -7.644 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.090 -10.568 -8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.280 -11.298 -7.539 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.593 -11.084 -7.013 1.00 0.00 H new ATOM 28 N LEU A 6 1.777 -8.131 -6.105 1.00 0.00 N ATOM 29 CA LEU A 6 0.630 -7.267 -6.158 1.00 0.00 C ATOM 30 C LEU A 6 1.164 -5.857 -5.895 1.00 0.00 C ATOM 31 O LEU A 6 0.604 -4.883 -6.393 1.00 0.00 O ATOM 32 CB LEU A 6 -0.384 -7.822 -5.152 1.00 0.00 C ATOM 33 CG LEU A 6 -1.180 -9.004 -5.727 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.661 -9.908 -4.586 1.00 0.00 C ATOM 35 CD2 LEU A 6 -2.384 -8.516 -6.538 1.00 0.00 C ATOM 0 H LEU A 6 1.939 -8.563 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 6 0.097 -7.221 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.138 -8.141 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.073 -7.030 -4.858 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.524 -9.566 -6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.225 -10.745 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.801 -10.287 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.300 -9.336 -3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.929 -9.374 -6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.043 -7.932 -5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.038 -7.894 -7.364 1.00 0.00 H new ATOM 36 N TYR A 7 2.281 -5.744 -5.157 1.00 0.00 N ATOM 37 CA TYR A 7 2.904 -4.461 -4.876 1.00 0.00 C ATOM 38 C TYR A 7 3.645 -3.860 -6.081 1.00 0.00 C ATOM 39 O TYR A 7 3.992 -2.678 -6.069 1.00 0.00 O ATOM 40 CB TYR A 7 3.848 -4.627 -3.672 1.00 0.00 C ATOM 41 CG TYR A 7 3.931 -3.401 -2.785 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.767 -2.679 -2.467 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.163 -2.966 -2.267 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.874 -1.370 -1.987 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.247 -1.708 -1.648 1.00 0.00 C ATOM 46 CZ TYR A 7 4.139 -0.846 -1.690 1.00 0.00 C ATOM 47 OH TYR A 7 4.274 0.475 -1.408 1.00 0.00 O ATOM 0 H TYR A 7 2.767 -6.541 -4.745 1.00 0.00 H new ATOM 0 HA TYR A 7 2.112 -3.749 -4.644 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.513 -5.474 -3.074 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.847 -4.869 -4.036 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.795 -3.133 -2.593 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.038 -3.594 -2.344 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.989 -0.768 -1.846 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.154 -1.407 -1.145 1.00 0.00 H new ATOM 0 HH TYR A 7 3.451 0.807 -0.993 1.00 0.00 H new ATOM 48 N LYS A 8 3.875 -4.644 -7.137 1.00 0.00 N ATOM 49 CA LYS A 8 4.603 -4.210 -8.323 1.00 0.00 C ATOM 50 C LYS A 8 4.078 -2.884 -8.898 1.00 0.00 C ATOM 51 O LYS A 8 4.860 -2.005 -9.254 1.00 0.00 O ATOM 52 CB LYS A 8 4.538 -5.337 -9.368 1.00 0.00 C ATOM 53 CG LYS A 8 5.669 -5.259 -10.401 1.00 0.00 C ATOM 54 CD LYS A 8 7.005 -5.714 -9.795 1.00 0.00 C ATOM 55 CE LYS A 8 8.101 -5.726 -10.866 1.00 0.00 C ATOM 56 NZ LYS A 8 9.395 -6.150 -10.303 1.00 0.00 N ATOM 0 H LYS A 8 3.555 -5.611 -7.189 1.00 0.00 H new ATOM 0 HA LYS A 8 5.638 -4.013 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.583 -6.300 -8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.578 -5.293 -9.883 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.425 -5.884 -11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.762 -4.236 -10.767 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.289 -5.046 -8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.896 -6.710 -9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.815 -6.399 -11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.199 -4.731 -11.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.117 -6.148 -11.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.677 -5.493 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.305 -7.109 -9.911 1.00 0.00 H new ATOM 57 N SER A 9 2.757 -2.725 -8.978 1.00 0.00 N ATOM 58 CA SER A 9 2.095 -1.535 -9.498 1.00 0.00 C ATOM 59 C SER A 9 2.264 -0.312 -8.588 1.00 0.00 C ATOM 60 O SER A 9 2.082 0.821 -9.024 1.00 0.00 O ATOM 61 CB SER A 9 0.605 -1.882 -9.632 1.00 0.00 C ATOM 62 OG SER A 9 0.239 -2.775 -8.589 1.00 0.00 O ATOM 0 H SER A 9 2.101 -3.444 -8.673 1.00 0.00 H new ATOM 0 HA SER A 9 2.544 -1.264 -10.453 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.002 -0.976 -9.580 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.411 -2.338 -10.603 1.00 0.00 H new ATOM 0 HG SER A 9 -0.684 -3.076 -8.725 1.00 0.00 H new ATOM 63 N CYS A 10 2.596 -0.545 -7.321 1.00 0.00 N ATOM 64 CA CYS A 10 2.739 0.439 -6.263 1.00 0.00 C ATOM 65 C CYS A 10 4.174 0.933 -6.213 1.00 0.00 C ATOM 66 O CYS A 10 4.438 2.123 -6.014 1.00 0.00 O ATOM 67 CB CYS A 10 2.348 -0.253 -4.954 1.00 0.00 C ATOM 68 SG CYS A 10 0.943 -1.410 -5.091 1.00 0.00 S ATOM 0 H CYS A 10 2.784 -1.491 -6.989 1.00 0.00 H new ATOM 0 HA CYS A 10 2.101 1.306 -6.434 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.213 -0.797 -4.574 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.102 0.510 -4.215 1.00 0.00 H new ATOM 0 HG CYS A 10 0.949 -2.222 -4.076 1.00 0.00 H new ATOM 69 N ILE A 11 5.092 -0.014 -6.426 1.00 0.00 N ATOM 70 CA ILE A 11 6.530 0.185 -6.461 1.00 0.00 C ATOM 71 C ILE A 11 6.890 1.406 -7.323 1.00 0.00 C ATOM 72 O ILE A 11 7.874 2.084 -7.042 1.00 0.00 O ATOM 73 CB ILE A 11 7.191 -1.144 -6.909 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.046 -1.747 -5.784 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.081 -0.995 -8.152 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.274 -2.082 -4.501 1.00 0.00 C ATOM 0 H ILE A 11 4.831 -0.987 -6.586 1.00 0.00 H new ATOM 0 HA ILE A 11 6.924 0.424 -5.473 1.00 0.00 H new ATOM 0 HB ILE A 11 6.359 -1.803 -7.158 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.520 -2.656 -6.154 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.845 -1.047 -5.539 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.511 -1.963 -8.410 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.482 -0.630 -8.987 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.882 -0.286 -7.943 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.958 -2.502 -3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.822 -1.174 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.492 -2.808 -4.726 1.00 0.00 H new ATOM 77 N GLY A 12 6.100 1.715 -8.356 1.00 0.00 N ATOM 78 CA GLY A 12 6.333 2.879 -9.197 1.00 0.00 C ATOM 79 C GLY A 12 6.380 4.175 -8.375 1.00 0.00 C ATOM 80 O GLY A 12 7.297 4.978 -8.541 1.00 0.00 O ATOM 0 H GLY A 12 5.286 1.164 -8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.272 2.756 -9.736 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.543 2.951 -9.945 1.00 0.00 H new ATOM 81 N CYS A 13 5.405 4.386 -7.481 1.00 0.00 N ATOM 82 CA CYS A 13 5.348 5.592 -6.653 1.00 0.00 C ATOM 83 C CYS A 13 6.185 5.414 -5.390 1.00 0.00 C ATOM 84 O CYS A 13 6.896 6.328 -4.983 1.00 0.00 O ATOM 85 CB CYS A 13 3.909 5.926 -6.225 1.00 0.00 C ATOM 86 SG CYS A 13 2.931 6.969 -7.343 1.00 0.00 S ATOM 0 H CYS A 13 4.641 3.731 -7.314 1.00 0.00 H new ATOM 0 HA CYS A 13 5.740 6.407 -7.262 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.373 4.988 -6.083 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.951 6.419 -5.254 1.00 0.00 H new ATOM 0 HG CYS A 13 1.747 7.153 -6.839 1.00 0.00 H new ATOM 87 N HIS A 14 6.095 4.246 -4.755 1.00 0.00 N ATOM 88 CA HIS A 14 6.737 3.934 -3.515 1.00 0.00 C ATOM 89 C HIS A 14 8.217 3.553 -3.618 1.00 0.00 C ATOM 90 O HIS A 14 8.909 3.517 -2.603 1.00 0.00 O ATOM 91 CB HIS A 14 5.852 2.819 -2.978 1.00 0.00 C ATOM 92 CG HIS A 14 4.590 3.355 -2.359 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.627 4.223 -1.281 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.258 3.209 -2.667 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.360 4.544 -0.987 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.474 3.953 -1.791 1.00 0.00 N ATOM 0 H HIS A 14 5.545 3.469 -5.121 1.00 0.00 H new ATOM 0 HA HIS A 14 6.810 4.800 -2.856 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.597 2.135 -3.788 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.404 2.242 -2.236 1.00 0.00 H new ATOM 0 HD2 HIS A 14 2.875 2.603 -3.474 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.085 5.211 -0.184 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.457 4.029 -1.769 1.00 0.00 H new ATOM 97 N GLY A 15 8.739 3.306 -4.817 1.00 0.00 N ATOM 98 CA GLY A 15 10.128 2.923 -4.999 1.00 0.00 C ATOM 99 C GLY A 15 10.293 1.418 -4.801 1.00 0.00 C ATOM 100 O GLY A 15 9.504 0.793 -4.092 1.00 0.00 O ATOM 0 H GLY A 15 8.208 3.367 -5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.462 3.204 -5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.757 3.461 -4.290 1.00 0.00 H new ATOM 101 N ALA A 16 11.333 0.855 -5.429 1.00 0.00 N ATOM 102 CA ALA A 16 11.695 -0.561 -5.431 1.00 0.00 C ATOM 103 C ALA A 16 11.353 -1.281 -4.123 1.00 0.00 C ATOM 104 O ALA A 16 10.623 -2.269 -4.135 1.00 0.00 O ATOM 105 CB ALA A 16 13.194 -0.686 -5.727 1.00 0.00 C ATOM 0 H ALA A 16 11.982 1.414 -5.983 1.00 0.00 H new ATOM 0 HA ALA A 16 11.103 -1.049 -6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.477 -1.738 -5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.410 -0.248 -6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.762 -0.161 -4.959 1.00 0.00 H new ATOM 106 N ASP A 17 11.891 -0.798 -3.002 1.00 0.00 N ATOM 107 CA ASP A 17 11.714 -1.329 -1.680 1.00 0.00 C ATOM 108 C ASP A 17 10.860 -0.409 -0.807 1.00 0.00 C ATOM 109 O ASP A 17 11.152 -0.246 0.371 1.00 0.00 O ATOM 110 CB ASP A 17 13.101 -1.582 -1.071 1.00 0.00 C ATOM 111 CG ASP A 17 13.907 -0.303 -0.857 1.00 0.00 C ATOM 112 OD1 ASP A 17 13.978 0.495 -1.820 1.00 0.00 O ATOM 113 OD2 ASP A 17 14.445 -0.137 0.258 1.00 0.00 O ATOM 0 H ASP A 17 12.495 0.024 -3.010 1.00 0.00 H new ATOM 0 HA ASP A 17 11.168 -2.271 -1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.983 -2.094 -0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.661 -2.251 -1.724 1.00 0.00 H new ATOM 114 N GLY A 18 9.818 0.210 -1.373 1.00 0.00 N ATOM 115 CA GLY A 18 8.892 1.086 -0.656 1.00 0.00 C ATOM 116 C GLY A 18 9.564 2.211 0.135 1.00 0.00 C ATOM 117 O GLY A 18 9.032 2.665 1.152 1.00 0.00 O ATOM 0 H GLY A 18 9.592 0.112 -2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.200 1.527 -1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.298 0.482 0.030 1.00 0.00 H new ATOM 118 N SER A 19 10.721 2.661 -0.351 1.00 0.00 N ATOM 119 CA SER A 19 11.571 3.674 0.238 1.00 0.00 C ATOM 120 C SER A 19 11.240 5.090 -0.236 1.00 0.00 C ATOM 121 O SER A 19 11.457 6.046 0.506 1.00 0.00 O ATOM 122 CB SER A 19 12.998 3.303 -0.174 1.00 0.00 C ATOM 123 OG SER A 19 12.993 2.948 -1.549 1.00 0.00 O ATOM 0 H SER A 19 11.107 2.299 -1.223 1.00 0.00 H new ATOM 0 HA SER A 19 11.430 3.692 1.319 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.672 4.142 -0.002 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.363 2.472 0.430 1.00 0.00 H new ATOM 0 HG SER A 19 13.512 2.126 -1.677 1.00 0.00 H new ATOM 124 N LYS A 20 10.751 5.248 -1.469 1.00 0.00 N ATOM 125 CA LYS A 20 10.447 6.561 -2.007 1.00 0.00 C ATOM 126 C LYS A 20 9.189 7.100 -1.335 1.00 0.00 C ATOM 127 O LYS A 20 8.145 6.445 -1.325 1.00 0.00 O ATOM 128 CB LYS A 20 10.306 6.494 -3.538 1.00 0.00 C ATOM 129 CG LYS A 20 10.185 7.893 -4.165 1.00 0.00 C ATOM 130 CD LYS A 20 10.566 7.946 -5.656 1.00 0.00 C ATOM 131 CE LYS A 20 9.486 7.453 -6.630 1.00 0.00 C ATOM 132 NZ LYS A 20 9.263 6.001 -6.555 1.00 0.00 N ATOM 0 H LYS A 20 10.560 4.477 -2.108 1.00 0.00 H new ATOM 0 HA LYS A 20 11.265 7.249 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.170 5.981 -3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.427 5.903 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.160 8.244 -4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.822 8.584 -3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.820 8.975 -5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.466 7.349 -5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.550 7.970 -6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.774 7.719 -7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.755 5.684 -7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.179 5.512 -6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.698 5.780 -5.711 1.00 0.00 H new ATOM 133 N ALA A 21 9.295 8.301 -0.761 1.00 0.00 N ATOM 134 CA ALA A 21 8.177 8.961 -0.112 1.00 0.00 C ATOM 135 C ALA A 21 7.217 9.405 -1.214 1.00 0.00 C ATOM 136 O ALA A 21 7.278 10.532 -1.696 1.00 0.00 O ATOM 137 CB ALA A 21 8.681 10.130 0.741 1.00 0.00 C ATOM 0 H ALA A 21 10.162 8.837 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 21 7.652 8.293 0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.835 10.619 1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.367 9.756 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.200 10.847 0.105 1.00 0.00 H new ATOM 138 N ALA A 22 6.361 8.474 -1.632 1.00 0.00 N ATOM 139 CA ALA A 22 5.411 8.626 -2.716 1.00 0.00 C ATOM 140 C ALA A 22 4.739 9.996 -2.798 1.00 0.00 C ATOM 141 O ALA A 22 4.134 10.439 -1.825 1.00 0.00 O ATOM 142 CB ALA A 22 4.365 7.516 -2.643 1.00 0.00 C ATOM 0 H ALA A 22 6.314 7.552 -1.199 1.00 0.00 H new ATOM 0 HA ALA A 22 5.992 8.546 -3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.652 7.633 -3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.857 6.547 -2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.838 7.574 -1.690 1.00 0.00 H new ATOM 143 N MET A 23 4.844 10.595 -3.994 1.00 0.00 N ATOM 144 CA MET A 23 4.329 11.867 -4.495 1.00 0.00 C ATOM 145 C MET A 23 4.032 12.915 -3.421 1.00 0.00 C ATOM 146 O MET A 23 4.780 13.879 -3.292 1.00 0.00 O ATOM 147 CB MET A 23 3.095 11.587 -5.364 1.00 0.00 C ATOM 148 CG MET A 23 3.408 10.652 -6.540 1.00 0.00 C ATOM 149 SD MET A 23 4.709 11.166 -7.694 1.00 0.00 S ATOM 150 CE MET A 23 4.048 12.749 -8.261 1.00 0.00 C ATOM 0 H MET A 23 5.368 10.125 -4.732 1.00 0.00 H new ATOM 0 HA MET A 23 5.125 12.321 -5.086 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.313 11.142 -4.748 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.702 12.529 -5.747 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.685 9.680 -6.132 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.490 10.509 -7.110 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.680 13.143 -9.056 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.036 12.606 -8.639 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.029 13.454 -7.430 1.00 0.00 H new ATOM 151 N GLY A 24 2.917 12.770 -2.699 1.00 0.00 N ATOM 152 CA GLY A 24 2.536 13.687 -1.634 1.00 0.00 C ATOM 153 C GLY A 24 3.691 13.884 -0.655 1.00 0.00 C ATOM 154 O GLY A 24 3.943 15.001 -0.210 1.00 0.00 O ATOM 0 H GLY A 24 2.254 12.008 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.246 14.647 -2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.666 13.297 -1.105 1.00 0.00 H new ATOM 155 N SER A 25 4.377 12.773 -0.366 1.00 0.00 N ATOM 156 CA SER A 25 5.525 12.560 0.500 1.00 0.00 C ATOM 157 C SER A 25 5.152 11.443 1.475 1.00 0.00 C ATOM 158 O SER A 25 5.250 11.649 2.686 1.00 0.00 O ATOM 159 CB SER A 25 5.963 13.838 1.241 1.00 0.00 C ATOM 160 OG SER A 25 7.055 13.561 2.096 1.00 0.00 O ATOM 0 H SER A 25 4.096 11.891 -0.795 1.00 0.00 H new ATOM 0 HA SER A 25 6.388 12.277 -0.102 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.243 14.606 0.520 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.129 14.234 1.821 1.00 0.00 H new ATOM 0 HG SER A 25 6.779 12.917 2.781 1.00 0.00 H new ATOM 161 N ALA A 26 4.743 10.256 0.991 1.00 0.00 N ATOM 162 CA ALA A 26 4.366 9.203 1.911 1.00 0.00 C ATOM 163 C ALA A 26 5.447 8.865 2.925 1.00 0.00 C ATOM 164 O ALA A 26 6.604 8.707 2.551 1.00 0.00 O ATOM 165 CB ALA A 26 4.082 7.927 1.119 1.00 0.00 C ATOM 0 H ALA A 26 4.671 10.020 0.001 1.00 0.00 H new ATOM 0 HA ALA A 26 3.493 9.570 2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.797 7.129 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.269 8.109 0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.977 7.632 0.571 1.00 0.00 H new ATOM 166 N LYS A 27 5.082 8.745 4.204 1.00 0.00 N ATOM 167 CA LYS A 27 6.026 8.268 5.202 1.00 0.00 C ATOM 168 C LYS A 27 6.347 6.853 4.685 1.00 0.00 C ATOM 169 O LYS A 27 5.410 6.055 4.587 1.00 0.00 O ATOM 170 CB LYS A 27 5.396 8.304 6.607 1.00 0.00 C ATOM 171 CG LYS A 27 4.119 7.461 6.765 1.00 0.00 C ATOM 172 CD LYS A 27 3.347 7.853 8.030 1.00 0.00 C ATOM 173 CE LYS A 27 2.052 7.040 8.159 1.00 0.00 C ATOM 174 NZ LYS A 27 1.117 7.320 7.054 1.00 0.00 N ATOM 0 H LYS A 27 4.154 8.969 4.563 1.00 0.00 H new ATOM 0 HA LYS A 27 6.927 8.870 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.135 7.957 7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.165 9.339 6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.482 7.595 5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.381 6.404 6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.972 7.689 8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.111 8.917 8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.290 5.976 8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.571 7.271 9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.139 7.199 7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.252 8.297 6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.299 6.662 6.270 1.00 0.00 H new ATOM 175 N PRO A 28 7.595 6.569 4.258 1.00 0.00 N ATOM 176 CA PRO A 28 7.993 5.307 3.649 1.00 0.00 C ATOM 177 C PRO A 28 7.183 4.114 4.139 1.00 0.00 C ATOM 178 O PRO A 28 7.244 3.780 5.322 1.00 0.00 O ATOM 179 CB PRO A 28 9.484 5.167 3.950 1.00 0.00 C ATOM 180 CG PRO A 28 9.948 6.619 3.853 1.00 0.00 C ATOM 181 CD PRO A 28 8.777 7.398 4.458 1.00 0.00 C ATOM 0 HA PRO A 28 7.797 5.317 2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.666 4.743 4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.990 4.525 3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.872 6.785 4.407 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.138 6.914 2.821 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.943 7.591 5.518 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.661 8.367 3.972 1.00 0.00 H new ATOM 182 N VAL A 29 6.401 3.480 3.249 1.00 0.00 N ATOM 183 CA VAL A 29 5.624 2.325 3.680 1.00 0.00 C ATOM 184 C VAL A 29 6.622 1.233 4.118 1.00 0.00 C ATOM 185 O VAL A 29 6.248 0.306 4.832 1.00 0.00 O ATOM 186 CB VAL A 29 4.591 1.840 2.645 1.00 0.00 C ATOM 187 CG1 VAL A 29 3.860 2.973 1.921 1.00 0.00 C ATOM 188 CG2 VAL A 29 5.131 0.869 1.605 1.00 0.00 C ATOM 0 H VAL A 29 6.297 3.740 2.268 1.00 0.00 H new ATOM 0 HA VAL A 29 4.995 2.609 4.524 1.00 0.00 H new ATOM 0 HB VAL A 29 3.882 1.300 3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.150 2.552 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.325 3.584 2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.583 3.591 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.330 0.585 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.935 1.346 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.515 -0.021 2.103 1.00 0.00 H new ATOM 189 N LYS A 30 7.889 1.321 3.675 1.00 0.00 N ATOM 190 CA LYS A 30 8.957 0.423 4.076 1.00 0.00 C ATOM 191 C LYS A 30 9.163 0.488 5.574 1.00 0.00 C ATOM 192 O LYS A 30 9.850 1.359 6.106 1.00 0.00 O ATOM 193 CB LYS A 30 10.249 0.783 3.365 1.00 0.00 C ATOM 194 CG LYS A 30 11.437 -0.118 3.742 1.00 0.00 C ATOM 195 CD LYS A 30 12.750 0.457 3.200 1.00 0.00 C ATOM 196 CE LYS A 30 13.917 -0.505 3.457 1.00 0.00 C ATOM 197 NZ LYS A 30 13.823 -1.711 2.615 1.00 0.00 N ATOM 0 H LYS A 30 8.193 2.037 3.015 1.00 0.00 H new ATOM 0 HA LYS A 30 8.673 -0.592 3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.089 0.725 2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.503 1.818 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.497 -0.214 4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.281 -1.120 3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.656 0.643 2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.954 1.417 3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.860 0.005 3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.926 -0.794 4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.536 -2.404 2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.874 -2.127 2.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.992 -1.455 1.621 1.00 0.00 H new ATOM 198 N GLY A 31 8.568 -0.496 6.220 1.00 0.00 N ATOM 199 CA GLY A 31 8.649 -0.686 7.655 1.00 0.00 C ATOM 200 C GLY A 31 7.315 -0.446 8.337 1.00 0.00 C ATOM 201 O GLY A 31 7.214 -0.676 9.541 1.00 0.00 O ATOM 0 H GLY A 31 8.001 -1.202 5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.988 -1.700 7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.395 -0.007 8.069 1.00 0.00 H new ATOM 202 N GLN A 32 6.297 0.042 7.613 1.00 0.00 N ATOM 203 CA GLN A 32 5.002 0.207 8.225 1.00 0.00 C ATOM 204 C GLN A 32 4.546 -1.220 8.607 1.00 0.00 C ATOM 205 O GLN A 32 4.888 -2.183 7.923 1.00 0.00 O ATOM 206 CB GLN A 32 4.029 0.984 7.317 1.00 0.00 C ATOM 207 CG GLN A 32 4.265 2.514 7.182 1.00 0.00 C ATOM 208 CD GLN A 32 3.149 3.215 6.369 1.00 0.00 C ATOM 209 OE1 GLN A 32 1.998 2.804 6.482 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.419 4.247 5.549 1.00 0.00 N ATOM 0 H GLN A 32 6.356 0.318 6.633 1.00 0.00 H new ATOM 0 HA GLN A 32 5.035 0.829 9.119 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.071 0.545 6.320 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.017 0.828 7.692 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.321 2.959 8.175 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.227 2.689 6.700 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.376 4.588 5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.667 4.689 5.020 1.00 0.00 H new ATOM 211 N GLY A 33 3.827 -1.391 9.716 1.00 0.00 N ATOM 212 CA GLY A 33 3.455 -2.730 10.188 1.00 0.00 C ATOM 213 C GLY A 33 2.334 -3.375 9.376 1.00 0.00 C ATOM 214 O GLY A 33 1.434 -2.669 8.954 1.00 0.00 O ATOM 0 H GLY A 33 3.491 -0.627 10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.333 -3.375 10.155 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.146 -2.665 11.231 1.00 0.00 H new ATOM 215 N ALA A 34 2.331 -4.699 9.172 1.00 0.00 N ATOM 216 CA ALA A 34 1.300 -5.416 8.424 1.00 0.00 C ATOM 217 C ALA A 34 -0.095 -4.991 8.863 1.00 0.00 C ATOM 218 O ALA A 34 -0.944 -4.688 8.031 1.00 0.00 O ATOM 219 CB ALA A 34 1.446 -6.930 8.638 1.00 0.00 C ATOM 0 H ALA A 34 3.063 -5.311 9.532 1.00 0.00 H new ATOM 0 HA ALA A 34 1.430 -5.173 7.369 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.672 -7.453 8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.428 -7.253 8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.342 -7.159 9.698 1.00 0.00 H new ATOM 220 N GLU A 35 -0.328 -4.979 10.177 1.00 0.00 N ATOM 221 CA GLU A 35 -1.611 -4.577 10.737 1.00 0.00 C ATOM 222 C GLU A 35 -1.945 -3.162 10.254 1.00 0.00 C ATOM 223 O GLU A 35 -3.046 -2.906 9.772 1.00 0.00 O ATOM 224 CB GLU A 35 -1.547 -4.657 12.269 1.00 0.00 C ATOM 225 CG GLU A 35 -2.915 -4.380 12.906 1.00 0.00 C ATOM 226 CD GLU A 35 -2.847 -4.502 14.424 1.00 0.00 C ATOM 227 OE1 GLU A 35 -2.425 -3.507 15.053 1.00 0.00 O ATOM 228 OE2 GLU A 35 -3.201 -5.591 14.925 1.00 0.00 O ATOM 0 H GLU A 35 0.365 -5.247 10.876 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.403 -5.247 10.402 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.199 -5.646 12.568 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.819 -3.937 12.642 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.251 -3.380 12.633 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.651 -5.082 12.514 1.00 0.00 H new ATOM 229 N GLU A 36 -0.965 -2.262 10.372 1.00 0.00 N ATOM 230 CA GLU A 36 -1.064 -0.876 9.952 1.00 0.00 C ATOM 231 C GLU A 36 -1.454 -0.864 8.474 1.00 0.00 C ATOM 232 O GLU A 36 -2.559 -0.469 8.121 1.00 0.00 O ATOM 233 CB GLU A 36 0.291 -0.184 10.204 1.00 0.00 C ATOM 234 CG GLU A 36 0.220 1.346 10.236 1.00 0.00 C ATOM 235 CD GLU A 36 1.616 1.977 10.239 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.595 1.221 10.442 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.677 3.207 10.028 1.00 0.00 O ATOM 0 H GLU A 36 -0.057 -2.492 10.775 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.821 -0.330 10.515 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.696 -0.537 11.152 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.991 -0.488 9.426 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.339 1.703 9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.326 1.667 11.123 1.00 0.00 H new ATOM 238 N LEU A 37 -0.558 -1.356 7.619 1.00 0.00 N ATOM 239 CA LEU A 37 -0.719 -1.425 6.186 1.00 0.00 C ATOM 240 C LEU A 37 -2.074 -2.016 5.794 1.00 0.00 C ATOM 241 O LEU A 37 -2.715 -1.516 4.874 1.00 0.00 O ATOM 242 CB LEU A 37 0.419 -2.248 5.557 1.00 0.00 C ATOM 243 CG LEU A 37 1.851 -1.724 5.797 1.00 0.00 C ATOM 244 CD1 LEU A 37 2.848 -2.885 5.819 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.265 -0.808 4.649 1.00 0.00 C ATOM 0 H LEU A 37 0.337 -1.732 7.931 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.678 -0.405 5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.358 -3.266 5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.249 -2.302 4.482 1.00 0.00 H new ATOM 0 HG LEU A 37 1.856 -1.194 6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.853 -2.498 5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.584 -3.576 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.818 -3.409 4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.276 -0.441 4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.237 -1.364 3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.578 0.036 4.591 1.00 0.00 H new ATOM 246 N TYR A 38 -2.536 -3.065 6.477 1.00 0.00 N ATOM 247 CA TYR A 38 -3.792 -3.702 6.138 1.00 0.00 C ATOM 248 C TYR A 38 -4.965 -2.832 6.543 1.00 0.00 C ATOM 249 O TYR A 38 -5.940 -2.739 5.807 1.00 0.00 O ATOM 250 CB TYR A 38 -3.863 -5.066 6.820 1.00 0.00 C ATOM 251 CG TYR A 38 -4.959 -5.979 6.302 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.085 -6.206 4.919 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.823 -6.643 7.195 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.083 -7.063 4.436 1.00 0.00 C ATOM 255 CE2 TYR A 38 -6.780 -7.553 6.707 1.00 0.00 C ATOM 256 CZ TYR A 38 -6.895 -7.776 5.325 1.00 0.00 C ATOM 257 OH TYR A 38 -7.709 -8.756 4.843 1.00 0.00 O ATOM 0 H TYR A 38 -2.051 -3.486 7.269 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.845 -3.839 5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.903 -5.568 6.698 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.010 -4.915 7.889 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.412 -5.719 4.229 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.751 -6.454 8.256 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.226 -7.174 3.371 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.425 -8.079 7.395 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.458 -8.964 3.919 1.00 0.00 H new ATOM 258 N LYS A 39 -4.878 -2.195 7.709 1.00 0.00 N ATOM 259 CA LYS A 39 -5.944 -1.321 8.173 1.00 0.00 C ATOM 260 C LYS A 39 -6.049 -0.141 7.205 1.00 0.00 C ATOM 261 O LYS A 39 -7.140 0.262 6.802 1.00 0.00 O ATOM 262 CB LYS A 39 -5.639 -0.866 9.608 1.00 0.00 C ATOM 263 CG LYS A 39 -6.784 -0.042 10.208 1.00 0.00 C ATOM 264 CD LYS A 39 -6.442 0.336 11.656 1.00 0.00 C ATOM 265 CE LYS A 39 -7.513 1.240 12.280 1.00 0.00 C ATOM 266 NZ LYS A 39 -8.819 0.564 12.375 1.00 0.00 N ATOM 0 H LYS A 39 -4.083 -2.269 8.344 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.903 -1.839 8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.455 -1.740 10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.725 -0.273 9.613 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.947 0.858 9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.711 -0.615 10.180 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.339 -0.570 12.253 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.478 0.845 11.680 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.192 1.549 13.275 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.616 2.146 11.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.487 1.170 12.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.186 0.382 11.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.707 -0.338 12.880 1.00 0.00 H new ATOM 267 N LYS A 40 -4.891 0.388 6.809 1.00 0.00 N ATOM 268 CA LYS A 40 -4.766 1.507 5.913 1.00 0.00 C ATOM 269 C LYS A 40 -5.361 1.140 4.550 1.00 0.00 C ATOM 270 O LYS A 40 -6.229 1.844 4.032 1.00 0.00 O ATOM 271 CB LYS A 40 -3.273 1.821 5.831 1.00 0.00 C ATOM 272 CG LYS A 40 -2.645 2.315 7.148 1.00 0.00 C ATOM 273 CD LYS A 40 -2.801 3.820 7.362 1.00 0.00 C ATOM 274 CE LYS A 40 -1.883 4.335 8.477 1.00 0.00 C ATOM 275 NZ LYS A 40 -0.472 4.369 8.046 1.00 0.00 N ATOM 0 H LYS A 40 -3.990 0.027 7.122 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.309 2.386 6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.745 0.925 5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.117 2.579 5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.105 1.786 7.983 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.585 2.061 7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.575 4.344 6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.838 4.046 7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.197 5.335 8.775 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.981 3.696 9.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.106 3.809 8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.391 3.969 7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.135 5.353 8.039 1.00 0.00 H new ATOM 276 N MET A 41 -4.916 0.020 3.971 1.00 0.00 N ATOM 277 CA MET A 41 -5.416 -0.423 2.685 1.00 0.00 C ATOM 278 C MET A 41 -6.886 -0.780 2.763 1.00 0.00 C ATOM 279 O MET A 41 -7.594 -0.499 1.810 1.00 0.00 O ATOM 280 CB MET A 41 -4.631 -1.617 2.168 1.00 0.00 C ATOM 281 CG MET A 41 -3.277 -1.155 1.642 1.00 0.00 C ATOM 282 SD MET A 41 -2.391 -2.425 0.724 1.00 0.00 S ATOM 283 CE MET A 41 -2.166 -3.617 2.050 1.00 0.00 C ATOM 0 H MET A 41 -4.209 -0.591 4.381 1.00 0.00 H new ATOM 0 HA MET A 41 -5.290 0.407 1.990 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.492 -2.346 2.966 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.189 -2.115 1.375 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.423 -0.288 0.998 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.662 -0.829 2.481 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.341 -4.285 1.802 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.941 -3.091 2.978 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.079 -4.199 2.175 1.00 0.00 H new ATOM 284 N LYS A 42 -7.361 -1.416 3.835 1.00 0.00 N ATOM 285 CA LYS A 42 -8.782 -1.713 3.960 1.00 0.00 C ATOM 286 C LYS A 42 -9.523 -0.378 3.907 1.00 0.00 C ATOM 287 O LYS A 42 -10.520 -0.245 3.202 1.00 0.00 O ATOM 288 CB LYS A 42 -9.054 -2.485 5.258 1.00 0.00 C ATOM 289 CG LYS A 42 -10.539 -2.848 5.383 1.00 0.00 C ATOM 290 CD LYS A 42 -10.769 -3.733 6.614 1.00 0.00 C ATOM 291 CE LYS A 42 -12.262 -3.996 6.848 1.00 0.00 C ATOM 292 NZ LYS A 42 -12.886 -4.697 5.711 1.00 0.00 N ATOM 0 H LYS A 42 -6.788 -1.731 4.618 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.131 -2.354 3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.451 -3.393 5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.750 -1.882 6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.137 -1.940 5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.870 -3.370 4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.248 -4.681 6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.341 -3.252 7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.388 -4.590 7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.775 -3.049 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.867 -4.945 5.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.880 -4.077 4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.351 -5.564 5.502 1.00 0.00 H new ATOM 293 N GLY A 43 -9.003 0.618 4.628 1.00 0.00 N ATOM 294 CA GLY A 43 -9.568 1.949 4.631 1.00 0.00 C ATOM 295 C GLY A 43 -9.618 2.522 3.211 1.00 0.00 C ATOM 296 O GLY A 43 -10.627 3.100 2.810 1.00 0.00 O ATOM 0 H GLY A 43 -8.180 0.514 5.222 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.573 1.921 5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.972 2.600 5.270 1.00 0.00 H new ATOM 297 N TYR A 44 -8.538 2.383 2.432 1.00 0.00 N ATOM 298 CA TYR A 44 -8.517 2.897 1.070 1.00 0.00 C ATOM 299 C TYR A 44 -9.355 2.043 0.119 1.00 0.00 C ATOM 300 O TYR A 44 -9.883 2.586 -0.844 1.00 0.00 O ATOM 301 CB TYR A 44 -7.075 2.981 0.571 1.00 0.00 C ATOM 302 CG TYR A 44 -6.219 4.052 1.226 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.690 5.376 1.346 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.885 3.764 1.566 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.854 6.383 1.855 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.019 4.802 1.948 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.498 6.111 2.083 1.00 0.00 C ATOM 308 OH TYR A 44 -3.654 7.077 2.532 1.00 0.00 O ATOM 0 H TYR A 44 -7.677 1.922 2.725 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.960 3.893 1.085 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.598 2.013 0.726 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.091 3.160 -0.504 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.699 5.617 1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.527 2.746 1.533 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.254 7.363 2.070 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.977 4.589 2.139 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.583 7.021 3.508 1.00 0.00 H new ATOM 309 N ALA A 45 -9.472 0.735 0.366 1.00 0.00 N ATOM 310 CA ALA A 45 -10.230 -0.215 -0.446 1.00 0.00 C ATOM 311 C ALA A 45 -11.597 0.399 -0.745 1.00 0.00 C ATOM 312 O ALA A 45 -12.000 0.486 -1.903 1.00 0.00 O ATOM 313 CB ALA A 45 -10.384 -1.560 0.272 1.00 0.00 C ATOM 0 H ALA A 45 -9.023 0.294 1.169 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.695 -0.410 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.952 -2.245 -0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.399 -1.982 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.911 -1.411 1.214 1.00 0.00 H new ATOM 314 N ASP A 46 -12.298 0.828 0.314 1.00 0.00 N ATOM 315 CA ASP A 46 -13.586 1.501 0.178 1.00 0.00 C ATOM 316 C ASP A 46 -13.339 3.002 -0.035 1.00 0.00 C ATOM 317 O ASP A 46 -14.023 3.623 -0.844 1.00 0.00 O ATOM 318 CB ASP A 46 -14.490 1.224 1.388 1.00 0.00 C ATOM 319 CG ASP A 46 -14.102 2.026 2.621 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.097 1.647 3.257 1.00 0.00 O ATOM 321 OD2 ASP A 46 -14.797 3.023 2.904 1.00 0.00 O ATOM 0 H ASP A 46 -11.987 0.717 1.279 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.117 1.109 -0.689 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.522 1.454 1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.451 0.161 1.627 1.00 0.00 H new ATOM 322 N GLY A 47 -12.365 3.581 0.682 1.00 0.00 N ATOM 323 CA GLY A 47 -11.978 4.982 0.569 1.00 0.00 C ATOM 324 C GLY A 47 -12.338 5.817 1.797 1.00 0.00 C ATOM 325 O GLY A 47 -12.530 7.025 1.670 1.00 0.00 O ATOM 0 H GLY A 47 -11.815 3.069 1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.902 5.041 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.460 5.414 -0.308 1.00 0.00 H new ATOM 326 N SER A 48 -12.413 5.215 2.986 1.00 0.00 N ATOM 327 CA SER A 48 -12.720 5.862 4.219 1.00 0.00 C ATOM 328 C SER A 48 -11.458 6.542 4.755 1.00 0.00 C ATOM 329 O SER A 48 -11.500 7.694 5.182 1.00 0.00 O ATOM 330 CB SER A 48 -13.200 4.732 5.120 1.00 0.00 C ATOM 331 OG SER A 48 -12.376 3.587 5.001 1.00 0.00 O ATOM 0 H SER A 48 -12.250 4.214 3.097 1.00 0.00 H new ATOM 0 HA SER A 48 -13.475 6.644 4.139 1.00 0.00 H new ATOM 0 HB2 SER A 48 -13.207 5.070 6.156 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.226 4.471 4.862 1.00 0.00 H new ATOM 0 HG SER A 48 -12.822 2.920 4.438 1.00 0.00 H new ATOM 332 N TYR A 49 -10.333 5.817 4.752 1.00 0.00 N ATOM 333 CA TYR A 49 -9.061 6.356 5.212 1.00 0.00 C ATOM 334 C TYR A 49 -8.554 7.352 4.167 1.00 0.00 C ATOM 335 O TYR A 49 -8.839 7.205 2.979 1.00 0.00 O ATOM 336 CB TYR A 49 -8.063 5.219 5.459 1.00 0.00 C ATOM 337 CG TYR A 49 -6.674 5.670 5.870 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.497 6.498 6.995 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.562 5.314 5.089 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.229 7.035 7.282 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.300 5.866 5.366 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.135 6.743 6.450 1.00 0.00 C ATOM 343 OH TYR A 49 -2.897 7.208 6.779 1.00 0.00 O ATOM 0 H TYR A 49 -10.285 4.850 4.432 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.184 6.878 6.161 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.462 4.566 6.235 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.982 4.622 4.551 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.336 6.721 7.638 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.677 4.615 4.274 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.096 7.673 8.143 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.454 5.615 4.743 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.249 6.919 6.103 1.00 0.00 H new ATOM 372 N LYS A 54 -4.891 9.888 -1.242 1.00 0.00 N ATOM 373 CA LYS A 54 -5.886 8.871 -0.916 1.00 0.00 C ATOM 374 C LYS A 54 -6.692 8.424 -2.140 1.00 0.00 C ATOM 375 O LYS A 54 -7.039 7.255 -2.248 1.00 0.00 O ATOM 376 CB LYS A 54 -6.837 9.368 0.176 1.00 0.00 C ATOM 377 CG LYS A 54 -7.735 10.573 -0.146 1.00 0.00 C ATOM 378 CD LYS A 54 -9.132 10.226 -0.702 1.00 0.00 C ATOM 379 CE LYS A 54 -10.158 9.737 0.337 1.00 0.00 C ATOM 380 NZ LYS A 54 -10.046 8.298 0.647 1.00 0.00 N ATOM 0 HA LYS A 54 -5.334 8.006 -0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.482 8.537 0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.238 9.621 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.860 11.164 0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.221 11.205 -0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.536 11.109 -1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.019 9.456 -1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.032 10.309 1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.163 9.943 -0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.991 7.910 0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.627 7.800 -0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.441 8.169 1.483 1.00 0.00 H new ATOM 381 N ALA A 55 -7.013 9.345 -3.055 1.00 0.00 N ATOM 382 CA ALA A 55 -7.791 9.026 -4.249 1.00 0.00 C ATOM 383 C ALA A 55 -7.042 8.007 -5.108 1.00 0.00 C ATOM 384 O ALA A 55 -7.583 6.958 -5.464 1.00 0.00 O ATOM 385 CB ALA A 55 -8.068 10.312 -5.034 1.00 0.00 C ATOM 0 H ALA A 55 -6.741 10.326 -2.986 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.744 8.583 -3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.649 10.076 -5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.629 11.006 -4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.123 10.770 -5.327 1.00 0.00 H new ATOM 386 N MET A 56 -5.785 8.328 -5.431 1.00 0.00 N ATOM 387 CA MET A 56 -4.930 7.459 -6.223 1.00 0.00 C ATOM 388 C MET A 56 -4.805 6.125 -5.495 1.00 0.00 C ATOM 389 O MET A 56 -4.928 5.068 -6.104 1.00 0.00 O ATOM 390 CB MET A 56 -3.550 8.100 -6.426 1.00 0.00 C ATOM 391 CG MET A 56 -3.612 9.446 -7.159 1.00 0.00 C ATOM 392 SD MET A 56 -4.337 9.393 -8.819 1.00 0.00 S ATOM 393 CE MET A 56 -4.185 11.133 -9.276 1.00 0.00 C ATOM 0 H MET A 56 -5.338 9.200 -5.147 1.00 0.00 H new ATOM 0 HA MET A 56 -5.366 7.303 -7.210 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.077 8.244 -5.455 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.918 7.415 -6.990 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.187 10.145 -6.552 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.601 9.846 -7.235 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.586 11.282 -10.278 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.742 11.745 -8.567 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.134 11.423 -9.259 1.00 0.00 H new ATOM 394 N MET A 57 -4.591 6.186 -4.179 1.00 0.00 N ATOM 395 CA MET A 57 -4.465 5.006 -3.349 1.00 0.00 C ATOM 396 C MET A 57 -5.699 4.117 -3.480 1.00 0.00 C ATOM 397 O MET A 57 -5.578 2.949 -3.837 1.00 0.00 O ATOM 398 CB MET A 57 -4.209 5.436 -1.897 1.00 0.00 C ATOM 399 CG MET A 57 -2.707 5.473 -1.607 1.00 0.00 C ATOM 400 SD MET A 57 -1.865 3.905 -1.927 1.00 0.00 S ATOM 401 CE MET A 57 -2.758 2.750 -0.861 1.00 0.00 C ATOM 0 H MET A 57 -4.501 7.063 -3.666 1.00 0.00 H new ATOM 0 HA MET A 57 -3.616 4.409 -3.683 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.644 6.420 -1.721 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.700 4.743 -1.214 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.248 6.252 -2.215 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.554 5.751 -0.564 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.405 1.736 -1.047 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.583 3.009 0.183 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.825 2.808 -1.075 1.00 0.00 H new ATOM 402 N THR A 58 -6.892 4.644 -3.213 1.00 0.00 N ATOM 403 CA THR A 58 -8.125 3.884 -3.347 1.00 0.00 C ATOM 404 C THR A 58 -8.179 3.263 -4.740 1.00 0.00 C ATOM 405 O THR A 58 -8.380 2.057 -4.869 1.00 0.00 O ATOM 406 CB THR A 58 -9.321 4.817 -3.088 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.356 5.132 -1.714 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.666 4.193 -3.484 1.00 0.00 C ATOM 0 H THR A 58 -7.027 5.605 -2.899 1.00 0.00 H new ATOM 0 HA THR A 58 -8.164 3.076 -2.617 1.00 0.00 H new ATOM 0 HB THR A 58 -9.182 5.705 -3.704 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.542 4.320 -1.197 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.470 4.900 -3.277 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.657 3.954 -4.548 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.828 3.281 -2.909 1.00 0.00 H new ATOM 409 N ASN A 59 -7.959 4.072 -5.780 1.00 0.00 N ATOM 410 CA ASN A 59 -7.963 3.572 -7.147 1.00 0.00 C ATOM 411 C ASN A 59 -6.944 2.437 -7.321 1.00 0.00 C ATOM 412 O ASN A 59 -7.198 1.486 -8.057 1.00 0.00 O ATOM 413 CB ASN A 59 -7.673 4.720 -8.118 1.00 0.00 C ATOM 414 CG ASN A 59 -7.583 4.208 -9.551 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.599 3.987 -10.200 1.00 0.00 O ATOM 416 ND2 ASN A 59 -6.369 4.012 -10.058 1.00 0.00 N ATOM 0 H ASN A 59 -7.777 5.072 -5.696 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.949 3.164 -7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.459 5.472 -8.044 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.738 5.208 -7.842 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.264 3.668 -11.013 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.543 4.205 -9.492 1.00 0.00 H new ATOM 417 N ALA A 60 -5.802 2.523 -6.636 1.00 0.00 N ATOM 418 CA ALA A 60 -4.743 1.538 -6.716 1.00 0.00 C ATOM 419 C ALA A 60 -5.105 0.232 -6.002 1.00 0.00 C ATOM 420 O ALA A 60 -4.869 -0.838 -6.558 1.00 0.00 O ATOM 421 CB ALA A 60 -3.463 2.141 -6.117 1.00 0.00 C ATOM 0 H ALA A 60 -5.592 3.294 -6.003 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.588 1.285 -7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.657 1.410 -6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.183 3.032 -6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.640 2.410 -5.076 1.00 0.00 H new ATOM 422 N VAL A 61 -5.689 0.287 -4.797 1.00 0.00 N ATOM 423 CA VAL A 61 -5.935 -0.939 -4.035 1.00 0.00 C ATOM 424 C VAL A 61 -7.328 -1.539 -4.256 1.00 0.00 C ATOM 425 O VAL A 61 -7.487 -2.733 -4.023 1.00 0.00 O ATOM 426 CB VAL A 61 -5.729 -0.685 -2.528 1.00 0.00 C ATOM 427 CG1 VAL A 61 -4.576 0.247 -2.180 1.00 0.00 C ATOM 428 CG2 VAL A 61 -6.968 -0.289 -1.738 1.00 0.00 C ATOM 0 H VAL A 61 -5.993 1.147 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.212 -1.665 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.458 -1.689 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.514 0.361 -1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.643 -0.173 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.745 1.221 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.700 -0.137 -0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.379 0.635 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.714 -1.081 -1.810 1.00 0.00 H new ATOM 429 N LYS A 62 -8.341 -0.764 -4.671 1.00 0.00 N ATOM 430 CA LYS A 62 -9.711 -1.270 -4.827 1.00 0.00 C ATOM 431 C LYS A 62 -9.795 -2.559 -5.653 1.00 0.00 C ATOM 432 O LYS A 62 -10.654 -3.401 -5.410 1.00 0.00 O ATOM 433 CB LYS A 62 -10.621 -0.184 -5.426 1.00 0.00 C ATOM 434 CG LYS A 62 -10.285 0.175 -6.881 1.00 0.00 C ATOM 435 CD LYS A 62 -11.198 1.303 -7.376 1.00 0.00 C ATOM 436 CE LYS A 62 -10.925 1.642 -8.849 1.00 0.00 C ATOM 437 NZ LYS A 62 -11.346 0.557 -9.753 1.00 0.00 N ATOM 0 H LYS A 62 -8.235 0.223 -4.906 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.060 -1.525 -3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.656 -0.522 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.549 0.715 -4.814 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.242 0.483 -6.955 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.404 -0.703 -7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.240 1.008 -7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.046 2.191 -6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.452 2.559 -9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.861 1.835 -8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.287 0.884 -10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.722 -0.265 -9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.326 0.286 -9.537 1.00 0.00 H new ATOM 438 N LYS A 63 -8.911 -2.710 -6.642 1.00 0.00 N ATOM 439 CA LYS A 63 -8.877 -3.881 -7.507 1.00 0.00 C ATOM 440 C LYS A 63 -8.417 -5.149 -6.772 1.00 0.00 C ATOM 441 O LYS A 63 -8.527 -6.237 -7.334 1.00 0.00 O ATOM 442 CB LYS A 63 -7.973 -3.595 -8.717 1.00 0.00 C ATOM 443 CG LYS A 63 -6.570 -3.110 -8.328 1.00 0.00 C ATOM 444 CD LYS A 63 -5.646 -3.106 -9.551 1.00 0.00 C ATOM 445 CE LYS A 63 -4.349 -2.357 -9.229 1.00 0.00 C ATOM 446 NZ LYS A 63 -3.329 -2.566 -10.270 1.00 0.00 N ATOM 0 H LYS A 63 -8.196 -2.016 -6.863 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.895 -4.075 -7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.883 -4.501 -9.316 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.448 -2.842 -9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.629 -2.107 -7.906 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.156 -3.757 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.419 -4.130 -9.849 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.149 -2.633 -10.395 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.558 -1.292 -9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.963 -2.695 -8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.465 -2.045 -10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.112 -3.580 -10.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.689 -2.221 -11.183 1.00 0.00 H new ATOM 447 N TYR A 64 -7.878 -5.035 -5.553 1.00 0.00 N ATOM 448 CA TYR A 64 -7.404 -6.132 -4.757 1.00 0.00 C ATOM 449 C TYR A 64 -8.438 -6.424 -3.674 1.00 0.00 C ATOM 450 O TYR A 64 -9.031 -5.533 -3.072 1.00 0.00 O ATOM 451 CB TYR A 64 -6.054 -5.779 -4.126 1.00 0.00 C ATOM 452 CG TYR A 64 -4.931 -5.386 -5.074 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.886 -5.856 -6.402 1.00 0.00 C ATOM 454 CD2 TYR A 64 -3.901 -4.552 -4.605 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.845 -5.453 -7.255 1.00 0.00 C ATOM 456 CE2 TYR A 64 -2.809 -4.236 -5.430 1.00 0.00 C ATOM 457 CZ TYR A 64 -2.779 -4.687 -6.760 1.00 0.00 C ATOM 458 OH TYR A 64 -1.759 -4.337 -7.597 1.00 0.00 O ATOM 0 H TYR A 64 -7.763 -4.133 -5.091 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.265 -7.015 -5.381 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.211 -4.957 -3.427 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.719 -6.635 -3.541 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.652 -6.526 -6.764 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.950 -4.151 -3.603 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.865 -5.734 -8.297 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.992 -3.646 -5.042 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.906 -4.408 -7.120 1.00 0.00 H new ATOM 459 N SER A 65 -8.630 -7.713 -3.453 1.00 0.00 N ATOM 460 CA SER A 65 -9.540 -8.298 -2.476 1.00 0.00 C ATOM 461 C SER A 65 -8.873 -8.320 -1.102 1.00 0.00 C ATOM 462 O SER A 65 -7.668 -8.123 -1.001 1.00 0.00 O ATOM 463 CB SER A 65 -9.898 -9.725 -2.909 1.00 0.00 C ATOM 464 OG SER A 65 -8.725 -10.510 -3.018 1.00 0.00 O ATOM 0 H SER A 65 -8.125 -8.425 -3.982 1.00 0.00 H new ATOM 0 HA SER A 65 -10.450 -7.700 -2.418 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.578 -10.173 -2.185 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.420 -9.703 -3.866 1.00 0.00 H new ATOM 0 HG SER A 65 -8.289 -10.329 -3.877 1.00 0.00 H new ATOM 465 N ASP A 66 -9.635 -8.602 -0.044 1.00 0.00 N ATOM 466 CA ASP A 66 -9.125 -8.673 1.323 1.00 0.00 C ATOM 467 C ASP A 66 -7.919 -9.615 1.434 1.00 0.00 C ATOM 468 O ASP A 66 -6.973 -9.318 2.164 1.00 0.00 O ATOM 469 CB ASP A 66 -10.251 -9.122 2.267 1.00 0.00 C ATOM 470 CG ASP A 66 -10.674 -10.573 2.045 1.00 0.00 C ATOM 471 OD1 ASP A 66 -10.859 -10.937 0.861 1.00 0.00 O ATOM 472 OD2 ASP A 66 -10.790 -11.295 3.057 1.00 0.00 O ATOM 0 H ASP A 66 -10.635 -8.789 -0.115 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.782 -7.679 1.612 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.923 -8.999 3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.115 -8.472 2.128 1.00 0.00 H new ATOM 473 N GLU A 67 -7.960 -10.747 0.726 1.00 0.00 N ATOM 474 CA GLU A 67 -6.894 -11.740 0.716 1.00 0.00 C ATOM 475 C GLU A 67 -5.647 -11.140 0.061 1.00 0.00 C ATOM 476 O GLU A 67 -4.551 -11.188 0.621 1.00 0.00 O ATOM 477 CB GLU A 67 -7.407 -12.992 -0.016 1.00 0.00 C ATOM 478 CG GLU A 67 -6.424 -14.175 0.007 1.00 0.00 C ATOM 479 CD GLU A 67 -5.255 -14.027 -0.966 1.00 0.00 C ATOM 480 OE1 GLU A 67 -5.500 -13.557 -2.097 1.00 0.00 O ATOM 481 OE2 GLU A 67 -4.127 -14.404 -0.574 1.00 0.00 O ATOM 0 H GLU A 67 -8.752 -10.999 0.134 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.611 -12.033 1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.348 -13.305 0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.623 -12.732 -1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.031 -14.289 1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.967 -15.090 -0.229 1.00 0.00 H new ATOM 482 N GLU A 68 -5.814 -10.579 -1.139 1.00 0.00 N ATOM 483 CA GLU A 68 -4.720 -9.959 -1.870 1.00 0.00 C ATOM 484 C GLU A 68 -4.100 -8.861 -1.007 1.00 0.00 C ATOM 485 O GLU A 68 -2.889 -8.836 -0.814 1.00 0.00 O ATOM 486 CB GLU A 68 -5.253 -9.399 -3.190 1.00 0.00 C ATOM 487 CG GLU A 68 -5.568 -10.523 -4.182 1.00 0.00 C ATOM 488 CD GLU A 68 -6.267 -9.960 -5.411 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.448 -9.582 -5.244 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.612 -9.895 -6.472 1.00 0.00 O ATOM 0 H GLU A 68 -6.710 -10.545 -1.625 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.946 -10.692 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.153 -8.813 -3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.517 -8.723 -3.625 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.647 -11.026 -4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.201 -11.271 -3.706 1.00 0.00 H new ATOM 491 N LEU A 69 -4.937 -7.972 -0.472 1.00 0.00 N ATOM 492 CA LEU A 69 -4.530 -6.881 0.394 1.00 0.00 C ATOM 493 C LEU A 69 -3.746 -7.425 1.591 1.00 0.00 C ATOM 494 O LEU A 69 -2.710 -6.868 1.952 1.00 0.00 O ATOM 495 CB LEU A 69 -5.777 -6.113 0.858 1.00 0.00 C ATOM 496 CG LEU A 69 -6.461 -5.246 -0.208 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.626 -4.491 0.442 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.510 -4.237 -0.841 1.00 0.00 C ATOM 0 H LEU A 69 -5.943 -7.997 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.879 -6.199 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.504 -6.832 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.496 -5.473 1.695 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.809 -5.910 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.120 -3.871 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.340 -5.206 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.247 -3.858 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.046 -3.651 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.119 -3.573 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.685 -4.765 -1.318 1.00 0.00 H new ATOM 499 N LYS A 70 -4.221 -8.510 2.214 1.00 0.00 N ATOM 500 CA LYS A 70 -3.522 -9.090 3.350 1.00 0.00 C ATOM 501 C LYS A 70 -2.125 -9.536 2.920 1.00 0.00 C ATOM 502 O LYS A 70 -1.150 -9.252 3.614 1.00 0.00 O ATOM 503 CB LYS A 70 -4.330 -10.256 3.938 1.00 0.00 C ATOM 504 CG LYS A 70 -3.695 -10.872 5.195 1.00 0.00 C ATOM 505 CD LYS A 70 -3.488 -9.840 6.313 1.00 0.00 C ATOM 506 CE LYS A 70 -3.055 -10.526 7.612 1.00 0.00 C ATOM 507 NZ LYS A 70 -2.830 -9.540 8.684 1.00 0.00 N ATOM 0 H LYS A 70 -5.078 -8.995 1.949 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.415 -8.339 4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.333 -9.906 4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.439 -11.031 3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.330 -11.678 5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.735 -11.317 4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.733 -9.115 6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.412 -9.287 6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.820 -11.238 7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.141 -11.095 7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.538 -10.032 9.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.084 -8.876 8.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.710 -9.015 8.863 1.00 0.00 H new ATOM 508 N ALA A 71 -2.017 -10.213 1.772 1.00 0.00 N ATOM 509 CA ALA A 71 -0.729 -10.674 1.281 1.00 0.00 C ATOM 510 C ALA A 71 0.175 -9.479 0.994 1.00 0.00 C ATOM 511 O ALA A 71 1.357 -9.489 1.328 1.00 0.00 O ATOM 512 CB ALA A 71 -0.916 -11.508 0.014 1.00 0.00 C ATOM 0 H ALA A 71 -2.807 -10.450 1.172 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.262 -11.297 2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.056 -11.848 -0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.543 -12.371 0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.394 -10.900 -0.754 1.00 0.00 H new ATOM 513 N LEU A 72 -0.385 -8.448 0.364 1.00 0.00 N ATOM 514 CA LEU A 72 0.321 -7.239 0.007 1.00 0.00 C ATOM 515 C LEU A 72 0.918 -6.596 1.258 1.00 0.00 C ATOM 516 O LEU A 72 2.110 -6.294 1.288 1.00 0.00 O ATOM 517 CB LEU A 72 -0.728 -6.348 -0.656 1.00 0.00 C ATOM 518 CG LEU A 72 -0.171 -5.244 -1.532 1.00 0.00 C ATOM 519 CD1 LEU A 72 0.741 -5.792 -2.579 1.00 0.00 C ATOM 520 CD2 LEU A 72 -1.359 -4.575 -2.208 1.00 0.00 C ATOM 0 H LEU A 72 -1.366 -8.439 0.085 1.00 0.00 H new ATOM 0 HA LEU A 72 1.158 -7.418 -0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.385 -6.974 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.344 -5.898 0.122 1.00 0.00 H new ATOM 0 HG LEU A 72 0.403 -4.543 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.124 -4.976 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.573 -6.310 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.192 -6.492 -3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.005 -3.770 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.897 -5.309 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.027 -4.166 -1.449 1.00 0.00 H new ATOM 521 N ALA A 73 0.094 -6.387 2.294 1.00 0.00 N ATOM 522 CA ALA A 73 0.556 -5.790 3.540 1.00 0.00 C ATOM 523 C ALA A 73 1.592 -6.698 4.186 1.00 0.00 C ATOM 524 O ALA A 73 2.611 -6.213 4.664 1.00 0.00 O ATOM 525 CB ALA A 73 -0.592 -5.639 4.547 1.00 0.00 C ATOM 0 H ALA A 73 -0.898 -6.626 2.287 1.00 0.00 H new ATOM 0 HA ALA A 73 0.970 -4.811 3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.214 -5.191 5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.366 -4.999 4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.013 -6.620 4.769 1.00 0.00 H new ATOM 526 N ASP A 74 1.310 -8.004 4.251 1.00 0.00 N ATOM 527 CA ASP A 74 2.233 -8.970 4.829 1.00 0.00 C ATOM 528 C ASP A 74 3.598 -8.783 4.173 1.00 0.00 C ATOM 529 O ASP A 74 4.601 -8.646 4.870 1.00 0.00 O ATOM 530 CB ASP A 74 1.708 -10.395 4.637 1.00 0.00 C ATOM 531 CG ASP A 74 2.698 -11.412 5.187 1.00 0.00 C ATOM 532 OD1 ASP A 74 2.671 -11.617 6.419 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.462 -11.962 4.365 1.00 0.00 O ATOM 0 H ASP A 74 0.441 -8.412 3.906 1.00 0.00 H new ATOM 0 HA ASP A 74 2.326 -8.807 5.903 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.748 -10.505 5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.535 -10.585 3.578 1.00 0.00 H new ATOM 534 N TYR A 75 3.619 -8.716 2.836 1.00 0.00 N ATOM 535 CA TYR A 75 4.853 -8.495 2.110 1.00 0.00 C ATOM 536 C TYR A 75 5.454 -7.159 2.545 1.00 0.00 C ATOM 537 O TYR A 75 6.554 -7.146 3.088 1.00 0.00 O ATOM 538 CB TYR A 75 4.624 -8.544 0.593 1.00 0.00 C ATOM 539 CG TYR A 75 5.879 -8.123 -0.146 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.068 -8.840 0.088 1.00 0.00 C ATOM 541 CD2 TYR A 75 5.944 -6.849 -0.744 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.312 -8.272 -0.227 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.186 -6.317 -1.128 1.00 0.00 C ATOM 544 CZ TYR A 75 8.372 -7.005 -0.826 1.00 0.00 C ATOM 545 OH TYR A 75 9.574 -6.417 -1.064 1.00 0.00 O ATOM 0 H TYR A 75 2.792 -8.813 2.246 1.00 0.00 H new ATOM 0 HA TYR A 75 5.557 -9.294 2.344 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.340 -9.553 0.294 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.798 -7.887 0.322 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.022 -9.832 0.512 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.040 -6.282 -0.907 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.223 -8.810 -0.008 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.229 -5.376 -1.657 1.00 0.00 H new ATOM 0 HH TYR A 75 10.213 -6.687 -0.372 1.00 0.00 H new ATOM 546 N MET A 76 4.752 -6.041 2.325 1.00 0.00 N ATOM 547 CA MET A 76 5.224 -4.719 2.710 1.00 0.00 C ATOM 548 C MET A 76 5.737 -4.634 4.151 1.00 0.00 C ATOM 549 O MET A 76 6.596 -3.812 4.446 1.00 0.00 O ATOM 550 CB MET A 76 4.079 -3.722 2.568 1.00 0.00 C ATOM 551 CG MET A 76 3.781 -3.321 1.129 1.00 0.00 C ATOM 552 SD MET A 76 2.609 -1.951 1.050 1.00 0.00 S ATOM 553 CE MET A 76 1.051 -2.834 1.202 1.00 0.00 C ATOM 0 H MET A 76 3.838 -6.035 1.873 1.00 0.00 H new ATOM 0 HA MET A 76 6.062 -4.494 2.050 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.179 -4.152 3.008 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.317 -2.827 3.142 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.708 -3.037 0.631 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.378 -4.177 0.588 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.420 -2.610 0.342 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.243 -3.906 1.242 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.544 -2.522 2.115 1.00 0.00 H new ATOM 554 N SER A 77 5.197 -5.434 5.067 1.00 0.00 N ATOM 555 CA SER A 77 5.644 -5.410 6.453 1.00 0.00 C ATOM 556 C SER A 77 7.131 -5.776 6.539 1.00 0.00 C ATOM 557 O SER A 77 7.823 -5.303 7.438 1.00 0.00 O ATOM 558 CB SER A 77 4.759 -6.324 7.304 1.00 0.00 C ATOM 559 OG SER A 77 4.822 -5.958 8.674 1.00 0.00 O ATOM 0 H SER A 77 4.452 -6.104 4.874 1.00 0.00 H new ATOM 0 HA SER A 77 5.544 -4.402 6.855 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.728 -6.266 6.955 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.078 -7.359 7.185 1.00 0.00 H new ATOM 0 HG SER A 77 5.718 -5.619 8.881 1.00 0.00 H new ATOM 560 N LYS A 78 7.605 -6.642 5.637 1.00 0.00 N ATOM 561 CA LYS A 78 9.008 -7.020 5.527 1.00 0.00 C ATOM 562 C LYS A 78 9.665 -6.027 4.557 1.00 0.00 C ATOM 563 O LYS A 78 10.734 -5.483 4.829 1.00 0.00 O ATOM 564 CB LYS A 78 9.096 -8.483 5.040 1.00 0.00 C ATOM 565 CG LYS A 78 10.354 -8.832 4.229 1.00 0.00 C ATOM 566 CD LYS A 78 11.658 -8.611 5.010 1.00 0.00 C ATOM 567 CE LYS A 78 12.847 -8.409 4.061 1.00 0.00 C ATOM 568 NZ LYS A 78 12.720 -7.163 3.279 1.00 0.00 N ATOM 0 H LYS A 78 7.008 -7.106 4.952 1.00 0.00 H new ATOM 0 HA LYS A 78 9.532 -6.975 6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.050 -9.141 5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.219 -8.699 4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.298 -9.874 3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.374 -8.227 3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.554 -7.740 5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.847 -9.468 5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.772 -8.383 4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.918 -9.259 3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.667 -6.801 3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.198 -7.356 2.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.206 -6.453 3.838 1.00 0.00 H new ATOM 569 N LEU A 79 8.974 -5.800 3.441 1.00 0.00 N ATOM 570 CA LEU A 79 9.326 -4.946 2.324 1.00 0.00 C ATOM 571 C LEU A 79 10.644 -5.431 1.700 1.00 0.00 C ATOM 572 O LEU A 79 10.668 -6.617 1.294 1.00 0.00 O ATOM 573 CB LEU A 79 9.344 -3.464 2.754 1.00 0.00 C ATOM 574 CG LEU A 79 8.861 -2.456 1.687 1.00 0.00 C ATOM 575 CD1 LEU A 79 8.880 -2.972 0.255 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.438 -1.922 1.871 1.00 0.00 C ATOM 577 OXT LEU A 79 11.606 -4.639 1.605 1.00 0.00 O ATOM 0 H LEU A 79 8.073 -6.254 3.289 1.00 0.00 H new ATOM 0 HA LEU A 79 8.567 -5.013 1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.721 -3.354 3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.361 -3.200 3.044 1.00 0.00 H new ATOM 0 HG LEU A 79 9.600 -1.671 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.524 -2.192 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.898 -3.250 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.232 -3.845 0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.205 -1.224 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.732 -2.752 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.363 -1.409 2.830 1.00 0.00 H new