USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 701 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 45 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 76 LYS NZ :NH3+ 170:sc= -1.58 (180deg=-1.92) USER MOD Set 2.1: A 17 LYS NZ :NH3+ 156:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 84 SER OG : rot 163:sc= 1.02 USER MOD Set 3.1: A 9 SER OG : rot 150:sc= 0 USER MOD Set 3.2: A 25 SER OG : rot 160:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0.0041) USER MOD Single : A 8 LYS NZ :NH3+ -145:sc= -0.204 (180deg=-0.99) USER MOD Single : A 11 THR OG1 : rot -98:sc= 1.22 USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= -1.5 (180deg=-3.17!) USER MOD Single : A 18 ASN : amide:sc= -3.31! C(o=-3.3!,f=-4!) USER MOD Single : A 21 MET CE :methyl 154:sc= -0.918 (180deg=-2.01!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.522 K(o=-0.52,f=-2.7!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -3.36! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -150:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.022 USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= 0.69 (180deg=0.46) USER MOD Single : A 54 LYS NZ :NH3+ 137:sc= -0.761 (180deg=-3.42!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0417) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -1.5! USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 6 -2.252 -6.935 -5.944 1.00 0.27 N ATOM 68 CA ASN A 6 -3.577 -7.553 -5.939 1.00 0.24 C ATOM 69 C ASN A 6 -4.658 -6.548 -5.537 1.00 0.24 C ATOM 70 O ASN A 6 -4.765 -6.192 -4.367 1.00 0.25 O ATOM 71 CB ASN A 6 -3.598 -8.740 -4.973 1.00 0.28 C ATOM 72 CG ASN A 6 -2.527 -9.766 -5.296 1.00 0.92 C ATOM 73 OD1 ASN A 6 -1.408 -9.690 -4.791 1.00 1.72 O ATOM 74 ND2 ASN A 6 -2.868 -10.730 -6.144 1.00 0.87 N ATOM 0 HA ASN A 6 -3.788 -7.899 -6.951 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -3.456 -8.379 -3.954 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -4.577 -9.217 -5.009 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -2.189 -11.447 -6.401 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -3.808 -10.753 -6.538 1.00 0.87 H new ATOM 81 N PRO A 7 -5.495 -6.093 -6.492 1.00 0.25 N ATOM 82 CA PRO A 7 -6.560 -5.123 -6.206 1.00 0.26 C ATOM 83 C PRO A 7 -7.567 -5.656 -5.195 1.00 0.26 C ATOM 84 O PRO A 7 -8.424 -4.921 -4.713 1.00 0.26 O ATOM 85 CB PRO A 7 -7.231 -4.899 -7.566 1.00 0.28 C ATOM 86 CG PRO A 7 -6.243 -5.378 -8.574 1.00 0.43 C ATOM 87 CD PRO A 7 -5.490 -6.492 -7.910 1.00 0.29 C ATOM 0 HA PRO A 7 -6.165 -4.209 -5.764 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -8.167 -5.452 -7.639 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -7.470 -3.847 -7.718 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -6.744 -5.728 -9.477 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -5.570 -4.575 -8.874 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -5.978 -7.455 -8.060 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.476 -6.583 -8.300 1.00 0.29 H new ATOM 95 N LYS A 8 -7.472 -6.944 -4.891 1.00 0.30 N ATOM 96 CA LYS A 8 -8.367 -7.556 -3.920 1.00 0.33 C ATOM 97 C LYS A 8 -7.905 -7.228 -2.506 1.00 0.27 C ATOM 98 O LYS A 8 -8.682 -6.756 -1.675 1.00 0.26 O ATOM 99 CB LYS A 8 -8.423 -9.075 -4.112 1.00 0.43 C ATOM 100 CG LYS A 8 -8.995 -9.508 -5.453 1.00 0.77 C ATOM 101 CD LYS A 8 -7.936 -9.502 -6.545 1.00 0.59 C ATOM 102 CE LYS A 8 -8.257 -8.490 -7.632 1.00 0.73 C ATOM 103 NZ LYS A 8 -9.631 -8.674 -8.177 1.00 1.39 N ATOM 0 H LYS A 8 -6.789 -7.581 -5.300 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.368 -7.152 -4.074 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -7.417 -9.481 -4.010 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -9.025 -9.510 -3.314 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -9.418 -10.508 -5.362 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -9.810 -8.841 -5.733 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -6.964 -9.272 -6.108 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -7.860 -10.497 -6.984 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -8.159 -7.482 -7.229 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -7.531 -8.583 -8.440 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -9.634 -8.453 -9.193 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -9.931 -9.660 -8.036 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -10.289 -8.038 -7.683 1.00 1.39 H new ATOM 117 N SER A 9 -6.628 -7.485 -2.246 1.00 0.26 N ATOM 118 CA SER A 9 -6.038 -7.225 -0.940 1.00 0.26 C ATOM 119 C SER A 9 -5.754 -5.742 -0.739 1.00 0.19 C ATOM 120 O SER A 9 -5.880 -5.223 0.370 1.00 0.23 O ATOM 121 CB SER A 9 -4.748 -8.033 -0.782 1.00 0.33 C ATOM 122 OG SER A 9 -5.029 -9.407 -0.571 1.00 0.71 O ATOM 0 H SER A 9 -5.978 -7.876 -2.928 1.00 0.26 H new ATOM 0 HA SER A 9 -6.756 -7.532 -0.179 1.00 0.26 H new ATOM 0 HB2 SER A 9 -4.131 -7.917 -1.673 1.00 0.33 H new ATOM 0 HB3 SER A 9 -4.172 -7.643 0.057 1.00 0.33 H new ATOM 0 HG SER A 9 -4.300 -9.950 -0.937 1.00 0.71 H new ATOM 128 N LEU A 10 -5.373 -5.063 -1.814 1.00 0.15 N ATOM 129 CA LEU A 10 -5.069 -3.640 -1.743 1.00 0.20 C ATOM 130 C LEU A 10 -6.320 -2.826 -1.466 1.00 0.19 C ATOM 131 O LEU A 10 -6.245 -1.623 -1.223 1.00 0.27 O ATOM 132 CB LEU A 10 -4.430 -3.157 -3.047 1.00 0.24 C ATOM 133 CG LEU A 10 -3.136 -3.867 -3.452 1.00 0.27 C ATOM 134 CD1 LEU A 10 -2.531 -3.216 -4.685 1.00 0.47 C ATOM 135 CD2 LEU A 10 -2.141 -3.855 -2.306 1.00 0.50 C ATOM 0 H LEU A 10 -5.268 -5.473 -2.742 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.366 -3.497 -0.922 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -5.155 -3.275 -3.852 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -4.225 -2.090 -2.957 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.376 -4.903 -3.692 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -1.612 -3.735 -4.957 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -3.239 -3.275 -5.512 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -2.308 -2.171 -4.472 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -1.227 -4.364 -2.612 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -1.909 -2.825 -2.036 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.571 -4.368 -1.445 1.00 0.50 H new ATOM 147 N THR A 11 -7.475 -3.475 -1.500 1.00 0.14 N ATOM 148 CA THR A 11 -8.725 -2.769 -1.265 1.00 0.18 C ATOM 149 C THR A 11 -9.569 -3.465 -0.203 1.00 0.15 C ATOM 150 O THR A 11 -10.771 -3.220 -0.093 1.00 0.18 O ATOM 151 CB THR A 11 -9.535 -2.632 -2.568 1.00 0.25 C ATOM 152 OG1 THR A 11 -10.163 -3.880 -2.886 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.635 -2.207 -3.725 1.00 0.35 C ATOM 0 H THR A 11 -7.572 -4.473 -1.685 1.00 0.14 H new ATOM 0 HA THR A 11 -8.468 -1.774 -0.902 1.00 0.18 H new ATOM 0 HB THR A 11 -10.296 -1.866 -2.417 1.00 0.25 H new ATOM 0 HG1 THR A 11 -9.623 -4.359 -3.549 1.00 0.31 H new ATOM 0 HG21 THR A 11 -9.229 -2.117 -4.634 1.00 0.35 H new ATOM 0 HG22 THR A 11 -8.176 -1.246 -3.495 1.00 0.35 H new ATOM 0 HG23 THR A 11 -7.856 -2.955 -3.874 1.00 0.35 H new ATOM 161 N ASP A 12 -8.930 -4.331 0.578 1.00 0.11 N ATOM 162 CA ASP A 12 -9.614 -5.049 1.639 1.00 0.12 C ATOM 163 C ASP A 12 -9.127 -4.524 2.985 1.00 0.11 C ATOM 164 O ASP A 12 -7.967 -4.727 3.342 1.00 0.10 O ATOM 165 CB ASP A 12 -9.351 -6.551 1.522 1.00 0.14 C ATOM 166 CG ASP A 12 -10.285 -7.373 2.388 1.00 0.24 C ATOM 167 OD1 ASP A 12 -11.503 -7.368 2.117 1.00 0.57 O ATOM 168 OD2 ASP A 12 -9.797 -8.021 3.338 1.00 0.51 O ATOM 0 H ASP A 12 -7.937 -4.550 0.493 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.689 -4.889 1.554 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.463 -6.856 0.482 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.320 -6.759 1.806 1.00 0.14 H new ATOM 173 N PRO A 13 -9.995 -3.833 3.749 1.00 0.11 N ATOM 174 CA PRO A 13 -9.623 -3.261 5.042 1.00 0.11 C ATOM 175 C PRO A 13 -8.812 -4.204 5.924 1.00 0.12 C ATOM 176 O PRO A 13 -8.137 -3.759 6.847 1.00 0.13 O ATOM 177 CB PRO A 13 -10.969 -2.958 5.686 1.00 0.12 C ATOM 178 CG PRO A 13 -11.836 -2.611 4.534 1.00 0.12 C ATOM 179 CD PRO A 13 -11.404 -3.529 3.417 1.00 0.11 C ATOM 0 HA PRO A 13 -8.974 -2.394 4.917 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.354 -3.818 6.233 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -10.897 -2.134 6.396 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.889 -2.756 4.777 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.715 -1.565 4.252 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -12.012 -4.433 3.381 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.492 -3.047 2.444 1.00 0.11 H new ATOM 187 N LYS A 14 -8.886 -5.502 5.659 1.00 0.13 N ATOM 188 CA LYS A 14 -8.126 -6.462 6.450 1.00 0.15 C ATOM 189 C LYS A 14 -6.638 -6.158 6.320 1.00 0.13 C ATOM 190 O LYS A 14 -5.920 -6.062 7.315 1.00 0.16 O ATOM 191 CB LYS A 14 -8.421 -7.895 6.008 1.00 0.18 C ATOM 192 CG LYS A 14 -8.457 -8.888 7.161 1.00 0.34 C ATOM 193 CD LYS A 14 -7.133 -8.937 7.910 1.00 0.60 C ATOM 194 CE LYS A 14 -6.018 -9.471 7.028 1.00 0.54 C ATOM 195 NZ LYS A 14 -4.800 -9.809 7.815 1.00 1.37 N ATOM 0 H LYS A 14 -9.454 -5.910 4.916 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.424 -6.371 7.494 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.379 -7.917 5.489 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.663 -8.210 5.291 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -9.255 -8.614 7.851 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.694 -9.881 6.778 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -6.875 -7.938 8.261 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -7.235 -9.569 8.792 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -6.367 -10.358 6.500 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -5.766 -8.728 6.271 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -4.189 -10.438 7.256 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -4.282 -8.937 8.044 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -5.077 -10.289 8.695 1.00 1.37 H new ATOM 209 N LEU A 15 -6.189 -6.006 5.079 1.00 0.09 N ATOM 210 CA LEU A 15 -4.800 -5.683 4.794 1.00 0.08 C ATOM 211 C LEU A 15 -4.537 -4.214 5.063 1.00 0.08 C ATOM 212 O LEU A 15 -3.545 -3.848 5.684 1.00 0.09 O ATOM 213 CB LEU A 15 -4.479 -5.979 3.326 1.00 0.08 C ATOM 214 CG LEU A 15 -4.455 -7.454 2.933 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.469 -8.196 3.811 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.843 -8.068 3.035 1.00 0.12 C ATOM 0 H LEU A 15 -6.774 -6.103 4.249 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.169 -6.294 5.440 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.214 -5.469 2.703 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.507 -5.545 3.092 1.00 0.08 H new ATOM 0 HG LEU A 15 -4.137 -7.537 1.894 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.452 -9.249 3.530 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.474 -7.770 3.681 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.770 -8.104 4.855 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.798 -9.119 2.750 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.203 -7.986 4.061 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.524 -7.540 2.368 1.00 0.12 H new ATOM 228 N LEU A 16 -5.440 -3.381 4.577 1.00 0.10 N ATOM 229 CA LEU A 16 -5.330 -1.942 4.735 1.00 0.12 C ATOM 230 C LEU A 16 -5.110 -1.558 6.198 1.00 0.16 C ATOM 231 O LEU A 16 -4.208 -0.782 6.513 1.00 0.27 O ATOM 232 CB LEU A 16 -6.588 -1.285 4.173 1.00 0.10 C ATOM 233 CG LEU A 16 -6.984 -1.773 2.778 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.404 -1.352 2.440 1.00 0.10 C ATOM 235 CD2 LEU A 16 -6.002 -1.250 1.737 1.00 0.18 C ATOM 0 H LEU A 16 -6.268 -3.682 4.063 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.460 -1.586 4.183 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.416 -1.468 4.858 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.436 -0.206 4.138 1.00 0.10 H new ATOM 0 HG LEU A 16 -6.948 -2.862 2.771 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.662 -1.711 1.444 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -9.093 -1.778 3.169 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.477 -0.265 2.465 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.296 -1.605 0.749 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -6.007 -0.160 1.747 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -5.000 -1.610 1.969 1.00 0.18 H new ATOM 247 N LYS A 17 -5.935 -2.101 7.091 1.00 0.14 N ATOM 248 CA LYS A 17 -5.799 -1.824 8.517 1.00 0.17 C ATOM 249 C LYS A 17 -4.511 -2.446 9.046 1.00 0.18 C ATOM 250 O LYS A 17 -3.934 -1.976 10.026 1.00 0.22 O ATOM 251 CB LYS A 17 -7.000 -2.370 9.292 1.00 0.19 C ATOM 252 CG LYS A 17 -8.314 -1.707 8.931 1.00 0.20 C ATOM 253 CD LYS A 17 -9.490 -2.469 9.516 1.00 0.24 C ATOM 254 CE LYS A 17 -10.807 -1.805 9.170 1.00 0.31 C ATOM 255 NZ LYS A 17 -11.971 -2.597 9.653 1.00 0.88 N ATOM 0 H LYS A 17 -6.700 -2.732 6.853 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.761 -0.744 8.657 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -7.082 -3.441 9.109 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -6.820 -2.242 10.359 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -8.321 -0.682 9.301 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.413 -1.656 7.847 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.486 -3.492 9.139 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -9.384 -2.528 10.599 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.838 -0.808 9.610 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -10.877 -1.678 8.090 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -12.791 -1.970 9.775 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -12.200 -3.336 8.958 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -11.736 -3.040 10.564 1.00 0.88 H new ATOM 269 N ASN A 18 -4.074 -3.510 8.380 1.00 0.14 N ATOM 270 CA ASN A 18 -2.852 -4.209 8.747 1.00 0.15 C ATOM 271 C ASN A 18 -1.812 -3.992 7.658 1.00 0.13 C ATOM 272 O ASN A 18 -1.455 -4.924 6.946 1.00 0.11 O ATOM 273 CB ASN A 18 -3.127 -5.711 8.909 1.00 0.16 C ATOM 274 CG ASN A 18 -2.175 -6.380 9.883 1.00 0.24 C ATOM 275 OD1 ASN A 18 -1.569 -5.723 10.729 1.00 0.50 O ATOM 276 ND2 ASN A 18 -2.052 -7.700 9.777 1.00 0.53 N ATOM 0 H ASN A 18 -4.556 -3.909 7.574 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.483 -3.819 9.695 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -4.151 -5.853 9.253 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -3.047 -6.198 7.937 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -1.436 -8.207 10.412 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.574 -8.205 9.060 1.00 0.53 H new ATOM 283 N ILE A 19 -1.345 -2.750 7.524 1.00 0.13 N ATOM 284 CA ILE A 19 -0.364 -2.405 6.497 1.00 0.12 C ATOM 285 C ILE A 19 0.694 -3.498 6.326 1.00 0.10 C ATOM 286 O ILE A 19 0.964 -3.912 5.202 1.00 0.09 O ATOM 287 CB ILE A 19 0.316 -1.045 6.778 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.654 0.109 6.486 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.589 -0.889 5.951 1.00 0.19 C ATOM 290 CD1 ILE A 19 -1.073 0.211 5.028 1.00 0.49 C ATOM 0 H ILE A 19 -1.630 -1.968 8.113 1.00 0.13 H new ATOM 0 HA ILE A 19 -0.920 -2.320 5.563 1.00 0.12 H new ATOM 0 HB ILE A 19 0.590 -1.015 7.833 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.545 -0.014 7.102 1.00 0.20 H new ATOM 0 HG13 ILE A 19 -0.187 1.047 6.786 1.00 0.20 H new ATOM 0 HG21 ILE A 19 2.048 0.076 6.167 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.287 -1.687 6.203 1.00 0.19 H new ATOM 0 HG23 ILE A 19 1.343 -0.944 4.891 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -1.758 1.050 4.904 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -0.191 0.367 4.406 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -1.571 -0.711 4.727 1.00 0.49 H new ATOM 302 N PRO A 20 1.333 -3.968 7.417 1.00 0.12 N ATOM 303 CA PRO A 20 2.329 -5.039 7.324 1.00 0.12 C ATOM 304 C PRO A 20 1.810 -6.182 6.465 1.00 0.11 C ATOM 305 O PRO A 20 2.508 -6.711 5.600 1.00 0.14 O ATOM 306 CB PRO A 20 2.471 -5.493 8.771 1.00 0.14 C ATOM 307 CG PRO A 20 2.218 -4.260 9.564 1.00 0.15 C ATOM 308 CD PRO A 20 1.165 -3.495 8.809 1.00 0.14 C ATOM 0 HA PRO A 20 3.266 -4.717 6.871 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.755 -6.278 9.015 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.465 -5.896 8.967 1.00 0.14 H new ATOM 0 HG2 PRO A 20 1.877 -4.505 10.570 1.00 0.15 H new ATOM 0 HG3 PRO A 20 3.128 -3.670 9.671 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.165 -3.706 9.188 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.315 -2.418 8.889 1.00 0.14 H new ATOM 316 N MET A 21 0.564 -6.544 6.733 1.00 0.10 N ATOM 317 CA MET A 21 -0.131 -7.596 6.010 1.00 0.10 C ATOM 318 C MET A 21 -0.348 -7.161 4.563 1.00 0.08 C ATOM 319 O MET A 21 -0.123 -7.920 3.622 1.00 0.10 O ATOM 320 CB MET A 21 -1.472 -7.833 6.696 1.00 0.13 C ATOM 321 CG MET A 21 -1.945 -9.278 6.737 1.00 0.25 C ATOM 322 SD MET A 21 -0.973 -10.393 5.708 1.00 0.94 S ATOM 323 CE MET A 21 0.233 -10.962 6.903 1.00 0.54 C ATOM 0 H MET A 21 0.002 -6.111 7.466 1.00 0.10 H new ATOM 0 HA MET A 21 0.454 -8.515 6.011 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.407 -7.462 7.719 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.230 -7.236 6.188 1.00 0.13 H new ATOM 0 HG2 MET A 21 -1.914 -9.631 7.768 1.00 0.25 H new ATOM 0 HG3 MET A 21 -2.986 -9.319 6.417 1.00 0.25 H new ATOM 0 HE1 MET A 21 0.599 -11.946 6.610 1.00 0.54 H new ATOM 0 HE2 MET A 21 1.067 -10.261 6.941 1.00 0.54 H new ATOM 0 HE3 MET A 21 -0.232 -11.026 7.887 1.00 0.54 H new ATOM 333 N TRP A 22 -0.813 -5.926 4.418 1.00 0.06 N ATOM 334 CA TRP A 22 -1.051 -5.310 3.121 1.00 0.06 C ATOM 335 C TRP A 22 0.184 -5.428 2.235 1.00 0.06 C ATOM 336 O TRP A 22 0.082 -5.621 1.024 1.00 0.08 O ATOM 337 CB TRP A 22 -1.414 -3.843 3.353 1.00 0.07 C ATOM 338 CG TRP A 22 -1.801 -3.087 2.125 1.00 0.08 C ATOM 339 CD1 TRP A 22 -3.019 -3.088 1.508 1.00 0.09 C ATOM 340 CD2 TRP A 22 -0.968 -2.199 1.373 1.00 0.08 C ATOM 341 NE1 TRP A 22 -2.994 -2.254 0.418 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.745 -1.701 0.311 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.362 -1.779 1.495 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.240 -0.805 -0.625 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.864 -0.889 0.561 1.00 0.10 C ATOM 346 CH2 TRP A 22 0.064 -0.411 -0.487 1.00 0.11 C ATOM 0 H TRP A 22 -1.037 -5.319 5.206 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.868 -5.819 2.609 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.238 -3.796 4.065 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.564 -3.343 3.817 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.876 -3.661 1.830 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.778 -2.075 -0.210 1.00 0.10 H new ATOM 0 HE3 TRP A 22 0.983 -2.142 2.301 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.854 -0.433 -1.432 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 1.889 -0.557 0.641 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.485 0.282 -1.200 1.00 0.11 H new ATOM 357 N LEU A 23 1.350 -5.310 2.856 1.00 0.06 N ATOM 358 CA LEU A 23 2.616 -5.420 2.152 1.00 0.08 C ATOM 359 C LEU A 23 2.924 -6.876 1.818 1.00 0.10 C ATOM 360 O LEU A 23 3.610 -7.166 0.840 1.00 0.13 O ATOM 361 CB LEU A 23 3.735 -4.839 3.011 1.00 0.09 C ATOM 362 CG LEU A 23 3.778 -3.313 3.081 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.848 -2.858 4.058 1.00 0.10 C ATOM 364 CD2 LEU A 23 4.030 -2.723 1.704 1.00 0.10 C ATOM 0 H LEU A 23 1.443 -5.136 3.857 1.00 0.06 H new ATOM 0 HA LEU A 23 2.544 -4.860 1.220 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.634 -5.230 4.023 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.690 -5.196 2.625 1.00 0.09 H new ATOM 0 HG LEU A 23 2.811 -2.956 3.436 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.866 -1.769 4.097 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.627 -3.253 5.050 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.820 -3.226 3.730 1.00 0.10 H new ATOM 0 HD21 LEU A 23 4.057 -1.636 1.774 1.00 0.10 H new ATOM 0 HD22 LEU A 23 4.984 -3.086 1.322 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.230 -3.023 1.028 1.00 0.10 H new ATOM 376 N LYS A 24 2.421 -7.787 2.647 1.00 0.10 N ATOM 377 CA LYS A 24 2.629 -9.210 2.444 1.00 0.13 C ATOM 378 C LYS A 24 2.108 -9.633 1.073 1.00 0.13 C ATOM 379 O LYS A 24 2.742 -10.421 0.372 1.00 0.16 O ATOM 380 CB LYS A 24 1.926 -10.002 3.548 1.00 0.17 C ATOM 381 CG LYS A 24 2.826 -10.974 4.287 1.00 0.51 C ATOM 382 CD LYS A 24 3.021 -12.256 3.506 1.00 1.24 C ATOM 383 CE LYS A 24 4.148 -12.126 2.496 1.00 2.30 C ATOM 384 NZ LYS A 24 4.165 -13.263 1.534 1.00 3.29 N ATOM 0 H LYS A 24 1.863 -7.558 3.470 1.00 0.10 H new ATOM 0 HA LYS A 24 3.698 -9.419 2.486 1.00 0.13 H new ATOM 0 HB2 LYS A 24 1.499 -9.302 4.266 1.00 0.17 H new ATOM 0 HB3 LYS A 24 1.095 -10.555 3.110 1.00 0.17 H new ATOM 0 HG2 LYS A 24 3.794 -10.508 4.470 1.00 0.51 H new ATOM 0 HG3 LYS A 24 2.394 -11.203 5.261 1.00 0.51 H new ATOM 0 HD2 LYS A 24 3.240 -13.073 4.194 1.00 1.24 H new ATOM 0 HD3 LYS A 24 2.096 -12.513 2.990 1.00 1.24 H new ATOM 0 HE2 LYS A 24 4.039 -11.189 1.949 1.00 2.30 H new ATOM 0 HE3 LYS A 24 5.102 -12.080 3.021 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 4.948 -13.137 0.862 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 4.294 -14.155 2.053 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 3.264 -13.292 1.015 1.00 3.29 H new ATOM 398 N SER A 25 0.948 -9.101 0.697 1.00 0.13 N ATOM 399 CA SER A 25 0.350 -9.414 -0.596 1.00 0.15 C ATOM 400 C SER A 25 1.100 -8.697 -1.713 1.00 0.14 C ATOM 401 O SER A 25 0.817 -8.892 -2.895 1.00 0.20 O ATOM 402 CB SER A 25 -1.129 -9.015 -0.616 1.00 0.20 C ATOM 403 OG SER A 25 -1.868 -9.749 0.345 1.00 0.96 O ATOM 0 H SER A 25 0.405 -8.453 1.268 1.00 0.13 H new ATOM 0 HA SER A 25 0.422 -10.490 -0.756 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.224 -7.948 -0.415 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.543 -9.190 -1.609 1.00 0.20 H new ATOM 0 HG SER A 25 -2.704 -9.278 0.544 1.00 0.96 H new ATOM 409 N LEU A 26 2.063 -7.868 -1.322 1.00 0.12 N ATOM 410 CA LEU A 26 2.868 -7.111 -2.274 1.00 0.13 C ATOM 411 C LEU A 26 4.330 -7.524 -2.198 1.00 0.16 C ATOM 412 O LEU A 26 5.180 -6.965 -2.890 1.00 0.28 O ATOM 413 CB LEU A 26 2.741 -5.616 -1.992 1.00 0.14 C ATOM 414 CG LEU A 26 1.311 -5.092 -1.952 1.00 0.27 C ATOM 415 CD1 LEU A 26 1.284 -3.644 -1.492 1.00 0.38 C ATOM 416 CD2 LEU A 26 0.659 -5.236 -3.318 1.00 0.66 C ATOM 0 H LEU A 26 2.306 -7.703 -0.345 1.00 0.12 H new ATOM 0 HA LEU A 26 2.499 -7.324 -3.277 1.00 0.13 H new ATOM 0 HB2 LEU A 26 3.219 -5.399 -1.037 1.00 0.14 H new ATOM 0 HB3 LEU A 26 3.292 -5.068 -2.756 1.00 0.14 H new ATOM 0 HG LEU A 26 0.744 -5.685 -1.235 1.00 0.27 H new ATOM 0 HD11 LEU A 26 0.254 -3.288 -1.470 1.00 0.38 H new ATOM 0 HD12 LEU A 26 1.714 -3.571 -0.493 1.00 0.38 H new ATOM 0 HD13 LEU A 26 1.865 -3.032 -2.182 1.00 0.38 H new ATOM 0 HD21 LEU A 26 -0.362 -4.858 -3.275 1.00 0.66 H new ATOM 0 HD22 LEU A 26 1.226 -4.666 -4.054 1.00 0.66 H new ATOM 0 HD23 LEU A 26 0.645 -6.287 -3.605 1.00 0.66 H new ATOM 428 N ARG A 27 4.609 -8.499 -1.340 1.00 0.15 N ATOM 429 CA ARG A 27 5.964 -9.010 -1.155 1.00 0.21 C ATOM 430 C ARG A 27 6.877 -7.962 -0.530 1.00 0.21 C ATOM 431 O ARG A 27 8.097 -8.125 -0.511 1.00 0.35 O ATOM 432 CB ARG A 27 6.549 -9.490 -2.487 1.00 0.31 C ATOM 433 CG ARG A 27 6.035 -10.853 -2.916 1.00 1.11 C ATOM 434 CD ARG A 27 6.534 -11.949 -1.990 1.00 2.02 C ATOM 435 NE ARG A 27 5.867 -13.223 -2.239 1.00 2.71 N ATOM 436 CZ ARG A 27 6.129 -14.340 -1.566 1.00 3.55 C ATOM 437 NH1 ARG A 27 7.039 -14.341 -0.602 1.00 3.89 N ATOM 438 NH2 ARG A 27 5.479 -15.459 -1.859 1.00 4.34 N ATOM 0 H ARG A 27 3.908 -8.955 -0.756 1.00 0.15 H new ATOM 0 HA ARG A 27 5.902 -9.856 -0.470 1.00 0.21 H new ATOM 0 HB2 ARG A 27 6.314 -8.761 -3.262 1.00 0.31 H new ATOM 0 HB3 ARG A 27 7.635 -9.529 -2.405 1.00 0.31 H new ATOM 0 HG2 ARG A 27 4.945 -10.847 -2.922 1.00 1.11 H new ATOM 0 HG3 ARG A 27 6.358 -11.061 -3.936 1.00 1.11 H new ATOM 0 HD2 ARG A 27 7.609 -12.072 -2.120 1.00 2.02 H new ATOM 0 HD3 ARG A 27 6.370 -11.651 -0.954 1.00 2.02 H new ATOM 0 HE ARG A 27 5.159 -13.259 -2.972 1.00 2.71 H new ATOM 0 HH11 ARG A 27 7.541 -13.483 -0.374 1.00 3.89 H new ATOM 0 HH12 ARG A 27 7.237 -15.200 -0.088 1.00 3.89 H new ATOM 0 HH21 ARG A 27 4.778 -15.463 -2.600 1.00 4.34 H new ATOM 0 HH22 ARG A 27 5.680 -16.316 -1.343 1.00 4.34 H new ATOM 452 N LEU A 28 6.287 -6.885 -0.020 1.00 0.14 N ATOM 453 CA LEU A 28 7.063 -5.826 0.615 1.00 0.14 C ATOM 454 C LEU A 28 6.884 -5.850 2.121 1.00 0.13 C ATOM 455 O LEU A 28 7.058 -4.827 2.783 1.00 0.13 O ATOM 456 CB LEU A 28 6.669 -4.446 0.071 1.00 0.16 C ATOM 457 CG LEU A 28 7.038 -4.190 -1.391 1.00 0.21 C ATOM 458 CD1 LEU A 28 5.804 -3.810 -2.191 1.00 0.67 C ATOM 459 CD2 LEU A 28 8.092 -3.099 -1.490 1.00 0.67 C ATOM 0 H LEU A 28 5.280 -6.723 -0.034 1.00 0.14 H new ATOM 0 HA LEU A 28 8.112 -6.008 0.380 1.00 0.14 H new ATOM 0 HB2 LEU A 28 5.592 -4.323 0.183 1.00 0.16 H new ATOM 0 HB3 LEU A 28 7.143 -3.682 0.687 1.00 0.16 H new ATOM 0 HG LEU A 28 7.451 -5.108 -1.809 1.00 0.21 H new ATOM 0 HD11 LEU A 28 6.084 -3.631 -3.229 1.00 0.67 H new ATOM 0 HD12 LEU A 28 5.077 -4.621 -2.146 1.00 0.67 H new ATOM 0 HD13 LEU A 28 5.364 -2.905 -1.773 1.00 0.67 H new ATOM 0 HD21 LEU A 28 8.343 -2.930 -2.537 1.00 0.67 H new ATOM 0 HD22 LEU A 28 7.704 -2.178 -1.056 1.00 0.67 H new ATOM 0 HD23 LEU A 28 8.986 -3.407 -0.948 1.00 0.67 H new ATOM 471 N HIS A 29 6.512 -7.007 2.671 1.00 0.13 N ATOM 472 CA HIS A 29 6.396 -7.123 4.116 1.00 0.13 C ATOM 473 C HIS A 29 7.770 -6.825 4.686 1.00 0.12 C ATOM 474 O HIS A 29 7.958 -6.614 5.884 1.00 0.13 O ATOM 475 CB HIS A 29 5.939 -8.517 4.538 1.00 0.14 C ATOM 476 CG HIS A 29 6.756 -9.619 3.940 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.590 -10.060 2.644 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.757 -10.366 4.464 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.450 -11.032 2.398 1.00 0.20 C ATOM 480 NE2 HIS A 29 8.171 -11.235 3.485 1.00 0.24 N ATOM 0 H HIS A 29 6.292 -7.855 2.149 1.00 0.13 H new ATOM 0 HA HIS A 29 5.646 -6.426 4.489 1.00 0.13 H new ATOM 0 HB2 HIS A 29 5.982 -8.592 5.625 1.00 0.14 H new ATOM 0 HB3 HIS A 29 4.896 -8.651 4.251 1.00 0.14 H new ATOM 0 HD2 HIS A 29 8.155 -10.292 5.465 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.547 -11.569 1.466 1.00 0.20 H new ATOM 0 HE2 HIS A 29 8.915 -11.926 3.582 1.00 0.24 H new ATOM 489 N LYS A 30 8.724 -6.835 3.765 1.00 0.12 N ATOM 490 CA LYS A 30 10.114 -6.539 4.041 1.00 0.12 C ATOM 491 C LYS A 30 10.210 -5.169 4.691 1.00 0.11 C ATOM 492 O LYS A 30 11.028 -4.929 5.580 1.00 0.17 O ATOM 493 CB LYS A 30 10.901 -6.528 2.722 1.00 0.15 C ATOM 494 CG LYS A 30 10.196 -7.220 1.564 1.00 0.28 C ATOM 495 CD LYS A 30 11.086 -7.296 0.335 1.00 0.59 C ATOM 496 CE LYS A 30 11.216 -5.941 -0.341 1.00 0.65 C ATOM 497 NZ LYS A 30 12.235 -5.954 -1.427 1.00 0.72 N ATOM 0 H LYS A 30 8.544 -7.055 2.785 1.00 0.12 H new ATOM 0 HA LYS A 30 10.527 -7.295 4.708 1.00 0.12 H new ATOM 0 HB2 LYS A 30 11.104 -5.494 2.443 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.865 -7.009 2.884 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.902 -8.226 1.864 1.00 0.28 H new ATOM 0 HG3 LYS A 30 9.281 -6.680 1.319 1.00 0.28 H new ATOM 0 HD2 LYS A 30 12.074 -7.658 0.621 1.00 0.59 H new ATOM 0 HD3 LYS A 30 10.674 -8.018 -0.370 1.00 0.59 H new ATOM 0 HE2 LYS A 30 10.251 -5.648 -0.753 1.00 0.65 H new ATOM 0 HE3 LYS A 30 11.487 -5.190 0.401 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 12.292 -5.011 -1.861 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 13.162 -6.209 -1.030 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 11.964 -6.652 -2.149 1.00 0.72 H new ATOM 511 N TYR A 31 9.348 -4.282 4.219 1.00 0.10 N ATOM 512 CA TYR A 31 9.280 -2.915 4.693 1.00 0.10 C ATOM 513 C TYR A 31 8.024 -2.687 5.518 1.00 0.11 C ATOM 514 O TYR A 31 7.532 -1.564 5.623 1.00 0.16 O ATOM 515 CB TYR A 31 9.317 -1.982 3.491 1.00 0.12 C ATOM 516 CG TYR A 31 10.588 -2.127 2.687 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.835 -1.998 3.289 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.543 -2.417 1.331 1.00 0.16 C ATOM 519 CE1 TYR A 31 13.000 -2.148 2.561 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.702 -2.572 0.597 1.00 0.20 C ATOM 521 CZ TYR A 31 12.928 -2.436 1.214 1.00 0.23 C ATOM 522 OH TYR A 31 14.084 -2.588 0.484 1.00 0.28 O ATOM 0 H TYR A 31 8.670 -4.497 3.488 1.00 0.10 H new ATOM 0 HA TYR A 31 10.132 -2.711 5.341 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.460 -2.186 2.850 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.222 -0.951 3.832 1.00 0.12 H new ATOM 0 HD1 TYR A 31 11.894 -1.777 4.344 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.586 -2.523 0.842 1.00 0.16 H new ATOM 0 HE1 TYR A 31 13.960 -2.040 3.043 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.649 -2.799 -0.458 1.00 0.20 H new ATOM 0 HH TYR A 31 13.858 -2.789 -0.448 1.00 0.28 H new ATOM 532 N SER A 32 7.507 -3.764 6.100 1.00 0.10 N ATOM 533 CA SER A 32 6.314 -3.678 6.928 1.00 0.12 C ATOM 534 C SER A 32 6.577 -2.801 8.135 1.00 0.13 C ATOM 535 O SER A 32 5.766 -1.956 8.484 1.00 0.16 O ATOM 536 CB SER A 32 5.863 -5.067 7.383 1.00 0.13 C ATOM 537 OG SER A 32 5.133 -5.725 6.366 1.00 1.30 O ATOM 0 H SER A 32 7.895 -4.703 6.013 1.00 0.10 H new ATOM 0 HA SER A 32 5.518 -3.235 6.330 1.00 0.12 H new ATOM 0 HB2 SER A 32 6.733 -5.664 7.654 1.00 0.13 H new ATOM 0 HB3 SER A 32 5.246 -4.977 8.277 1.00 0.13 H new ATOM 0 HG SER A 32 4.858 -6.611 6.682 1.00 1.30 H new ATOM 543 N ASP A 33 7.723 -3.008 8.765 1.00 0.12 N ATOM 544 CA ASP A 33 8.105 -2.240 9.931 1.00 0.14 C ATOM 545 C ASP A 33 8.232 -0.753 9.600 1.00 0.14 C ATOM 546 O ASP A 33 7.858 0.106 10.400 1.00 0.20 O ATOM 547 CB ASP A 33 9.428 -2.774 10.466 1.00 0.17 C ATOM 548 CG ASP A 33 9.318 -4.201 10.965 1.00 1.10 C ATOM 549 OD1 ASP A 33 8.843 -4.398 12.103 1.00 1.00 O ATOM 550 OD2 ASP A 33 9.709 -5.122 10.218 1.00 2.21 O ATOM 0 H ASP A 33 8.408 -3.709 8.482 1.00 0.12 H new ATOM 0 HA ASP A 33 7.328 -2.344 10.689 1.00 0.14 H new ATOM 0 HB2 ASP A 33 10.181 -2.724 9.679 1.00 0.17 H new ATOM 0 HB3 ASP A 33 9.773 -2.134 11.278 1.00 0.17 H new ATOM 555 N ALA A 34 8.761 -0.461 8.417 1.00 0.12 N ATOM 556 CA ALA A 34 8.953 0.917 7.972 1.00 0.13 C ATOM 557 C ALA A 34 7.665 1.548 7.459 1.00 0.12 C ATOM 558 O ALA A 34 7.492 2.765 7.523 1.00 0.15 O ATOM 559 CB ALA A 34 10.018 0.969 6.890 1.00 0.15 C ATOM 0 H ALA A 34 9.067 -1.164 7.744 1.00 0.12 H new ATOM 0 HA ALA A 34 9.274 1.494 8.839 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.155 2.000 6.564 1.00 0.15 H new ATOM 0 HB2 ALA A 34 10.958 0.586 7.286 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.706 0.359 6.043 1.00 0.15 H new ATOM 565 N LEU A 35 6.762 0.719 6.959 1.00 0.10 N ATOM 566 CA LEU A 35 5.507 1.211 6.404 1.00 0.09 C ATOM 567 C LEU A 35 4.327 1.001 7.355 1.00 0.09 C ATOM 568 O LEU A 35 3.238 1.523 7.118 1.00 0.12 O ATOM 569 CB LEU A 35 5.239 0.512 5.066 1.00 0.09 C ATOM 570 CG LEU A 35 5.871 1.160 3.817 1.00 0.19 C ATOM 571 CD1 LEU A 35 6.985 2.146 4.169 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.387 0.084 2.861 1.00 0.14 C ATOM 0 H LEU A 35 6.872 -0.294 6.925 1.00 0.10 H new ATOM 0 HA LEU A 35 5.605 2.286 6.254 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.599 -0.514 5.138 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.160 0.462 4.916 1.00 0.09 H new ATOM 0 HG LEU A 35 5.087 1.732 3.321 1.00 0.19 H new ATOM 0 HD11 LEU A 35 7.395 2.573 3.254 1.00 0.47 H new ATOM 0 HD12 LEU A 35 6.581 2.944 4.793 1.00 0.47 H new ATOM 0 HD13 LEU A 35 7.774 1.625 4.712 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.830 0.558 1.985 1.00 0.14 H new ATOM 0 HD22 LEU A 35 7.140 -0.521 3.366 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.559 -0.553 2.549 1.00 0.14 H new ATOM 584 N SER A 36 4.545 0.255 8.434 1.00 0.10 N ATOM 585 CA SER A 36 3.480 -0.021 9.399 1.00 0.10 C ATOM 586 C SER A 36 3.038 1.251 10.111 1.00 0.10 C ATOM 587 O SER A 36 1.843 1.505 10.261 1.00 0.11 O ATOM 588 CB SER A 36 3.936 -1.051 10.434 1.00 0.13 C ATOM 589 OG SER A 36 2.921 -1.293 11.393 1.00 0.95 O ATOM 0 H SER A 36 5.444 -0.168 8.664 1.00 0.10 H new ATOM 0 HA SER A 36 2.634 -0.424 8.842 1.00 0.10 H new ATOM 0 HB2 SER A 36 4.198 -1.983 9.933 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.836 -0.694 10.935 1.00 0.13 H new ATOM 0 HG SER A 36 3.236 -1.956 12.043 1.00 0.95 H new ATOM 595 N GLY A 37 4.011 2.044 10.556 1.00 0.12 N ATOM 596 CA GLY A 37 3.702 3.281 11.249 1.00 0.13 C ATOM 597 C GLY A 37 2.813 4.193 10.429 1.00 0.12 C ATOM 598 O GLY A 37 2.288 5.183 10.940 1.00 0.15 O ATOM 0 H GLY A 37 5.007 1.851 10.448 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.210 3.052 12.194 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.629 3.801 11.490 1.00 0.13 H new ATOM 602 N THR A 38 2.645 3.856 9.155 1.00 0.08 N ATOM 603 CA THR A 38 1.816 4.642 8.257 1.00 0.08 C ATOM 604 C THR A 38 0.639 3.812 7.733 1.00 0.07 C ATOM 605 O THR A 38 0.837 2.717 7.213 1.00 0.08 O ATOM 606 CB THR A 38 2.641 5.164 7.066 1.00 0.09 C ATOM 607 OG1 THR A 38 3.815 5.832 7.541 1.00 0.11 O ATOM 608 CG2 THR A 38 1.820 6.124 6.222 1.00 0.11 C ATOM 0 H THR A 38 3.076 3.039 8.722 1.00 0.08 H new ATOM 0 HA THR A 38 1.430 5.489 8.824 1.00 0.08 H new ATOM 0 HB THR A 38 2.928 4.312 6.450 1.00 0.09 H new ATOM 0 HG1 THR A 38 4.070 6.535 6.908 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.422 6.480 5.386 1.00 0.11 H new ATOM 0 HG22 THR A 38 0.938 5.610 5.840 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.510 6.972 6.833 1.00 0.11 H new ATOM 616 N PRO A 39 -0.606 4.322 7.869 1.00 0.07 N ATOM 617 CA PRO A 39 -1.818 3.625 7.402 1.00 0.08 C ATOM 618 C PRO A 39 -1.858 3.507 5.891 1.00 0.07 C ATOM 619 O PRO A 39 -0.939 3.957 5.215 1.00 0.07 O ATOM 620 CB PRO A 39 -2.949 4.538 7.871 1.00 0.09 C ATOM 621 CG PRO A 39 -2.311 5.874 7.928 1.00 0.09 C ATOM 622 CD PRO A 39 -0.943 5.616 8.477 1.00 0.09 C ATOM 0 HA PRO A 39 -1.875 2.606 7.785 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.790 4.524 7.178 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.333 4.234 8.845 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.262 6.332 6.940 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.873 6.555 8.568 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.236 6.396 8.193 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.943 5.567 9.566 1.00 0.09 H new ATOM 630 N TRP A 40 -2.919 2.905 5.359 1.00 0.07 N ATOM 631 CA TRP A 40 -3.045 2.772 3.916 1.00 0.07 C ATOM 632 C TRP A 40 -3.364 4.118 3.291 1.00 0.07 C ATOM 633 O TRP A 40 -2.689 4.539 2.365 1.00 0.07 O ATOM 634 CB TRP A 40 -4.107 1.738 3.524 1.00 0.08 C ATOM 635 CG TRP A 40 -5.501 2.071 3.966 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.037 1.873 5.207 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.544 2.653 3.168 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.350 2.277 5.223 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.679 2.769 3.991 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.631 3.087 1.838 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.880 3.298 3.535 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.831 3.617 1.390 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.938 3.718 2.239 1.00 0.21 C ATOM 0 H TRP A 40 -3.690 2.509 5.897 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.088 2.416 3.535 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -4.102 1.625 2.440 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -3.828 0.773 3.946 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.506 1.459 6.052 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -7.978 2.219 6.025 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.781 3.010 1.176 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.739 3.374 4.185 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.913 3.958 0.368 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.858 4.138 1.860 1.00 0.21 H new ATOM 654 N ILE A 41 -4.370 4.805 3.833 1.00 0.08 N ATOM 655 CA ILE A 41 -4.773 6.106 3.311 1.00 0.09 C ATOM 656 C ILE A 41 -3.574 7.033 3.155 1.00 0.07 C ATOM 657 O ILE A 41 -3.592 7.956 2.341 1.00 0.08 O ATOM 658 CB ILE A 41 -5.822 6.787 4.214 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.623 7.811 3.405 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.153 7.453 5.413 1.00 0.12 C ATOM 661 CD1 ILE A 41 -7.693 7.188 2.535 1.00 0.45 C ATOM 0 H ILE A 41 -4.918 4.482 4.630 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.219 5.922 2.333 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.505 6.025 4.590 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -7.089 8.519 4.090 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -5.939 8.380 2.775 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -5.911 7.927 6.036 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.621 6.702 5.997 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.448 8.207 5.064 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.221 7.971 1.991 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -7.231 6.501 1.826 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.399 6.642 3.161 1.00 0.45 H new ATOM 673 N GLU A 42 -2.534 6.781 3.943 1.00 0.07 N ATOM 674 CA GLU A 42 -1.327 7.591 3.881 1.00 0.06 C ATOM 675 C GLU A 42 -0.285 6.889 3.025 1.00 0.06 C ATOM 676 O GLU A 42 0.456 7.524 2.275 1.00 0.07 O ATOM 677 CB GLU A 42 -0.781 7.854 5.283 1.00 0.07 C ATOM 678 CG GLU A 42 -1.655 8.782 6.112 1.00 0.09 C ATOM 679 CD GLU A 42 -1.874 10.127 5.445 1.00 1.13 C ATOM 680 OE1 GLU A 42 -1.039 11.033 5.649 1.00 1.02 O ATOM 681 OE2 GLU A 42 -2.879 10.273 4.719 1.00 2.15 O ATOM 0 H GLU A 42 -2.504 6.026 4.628 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.569 8.553 3.429 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.675 6.904 5.807 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.217 8.285 5.200 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -2.620 8.306 6.287 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -1.193 8.935 7.087 1.00 0.09 H new ATOM 688 N LEU A 43 -0.245 5.567 3.149 1.00 0.06 N ATOM 689 CA LEU A 43 0.671 4.742 2.373 1.00 0.07 C ATOM 690 C LEU A 43 0.448 5.004 0.898 1.00 0.08 C ATOM 691 O LEU A 43 1.343 5.438 0.174 1.00 0.10 O ATOM 692 CB LEU A 43 0.407 3.267 2.660 1.00 0.08 C ATOM 693 CG LEU A 43 1.589 2.468 3.210 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.730 2.458 2.215 1.00 0.11 C ATOM 695 CD2 LEU A 43 2.048 3.041 4.536 1.00 0.09 C ATOM 0 H LEU A 43 -0.843 5.041 3.786 1.00 0.06 H new ATOM 0 HA LEU A 43 1.697 4.988 2.647 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.415 3.198 3.372 1.00 0.08 H new ATOM 0 HB3 LEU A 43 0.071 2.793 1.738 1.00 0.08 H new ATOM 0 HG LEU A 43 1.263 1.441 3.373 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.563 1.885 2.622 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.396 2.001 1.283 1.00 0.11 H new ATOM 0 HD13 LEU A 43 3.053 3.481 2.022 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.890 2.459 4.912 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.356 4.077 4.397 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.229 2.999 5.254 1.00 0.09 H new ATOM 707 N ILE A 44 -0.776 4.726 0.475 1.00 0.09 N ATOM 708 CA ILE A 44 -1.199 4.921 -0.895 1.00 0.10 C ATOM 709 C ILE A 44 -1.011 6.368 -1.342 1.00 0.10 C ATOM 710 O ILE A 44 -1.109 6.681 -2.528 1.00 0.15 O ATOM 711 CB ILE A 44 -2.674 4.523 -1.042 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.565 5.475 -0.240 1.00 0.14 C ATOM 713 CG2 ILE A 44 -2.858 3.096 -0.558 1.00 0.15 C ATOM 714 CD1 ILE A 44 -5.036 5.304 -0.512 1.00 0.20 C ATOM 0 H ILE A 44 -1.507 4.355 1.082 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.578 4.290 -1.531 1.00 0.10 H new ATOM 0 HB ILE A 44 -2.962 4.589 -2.091 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.381 5.321 0.823 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.280 6.502 -0.467 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -3.905 2.809 -0.661 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.238 2.427 -1.154 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.564 3.026 0.489 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.603 6.012 0.092 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -5.235 5.488 -1.568 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.337 4.288 -0.258 1.00 0.20 H new ATOM 726 N TYR A 45 -0.745 7.248 -0.382 1.00 0.08 N ATOM 727 CA TYR A 45 -0.542 8.662 -0.679 1.00 0.08 C ATOM 728 C TYR A 45 0.943 9.013 -0.700 1.00 0.08 C ATOM 729 O TYR A 45 1.330 10.067 -1.207 1.00 0.10 O ATOM 730 CB TYR A 45 -1.277 9.533 0.344 1.00 0.10 C ATOM 731 CG TYR A 45 -2.710 9.873 -0.035 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.467 9.043 -0.864 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.308 11.030 0.450 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.771 9.365 -1.194 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.610 11.355 0.122 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.336 10.521 -0.699 1.00 0.16 C ATOM 737 OH TYR A 45 -6.633 10.844 -1.027 1.00 0.19 O ATOM 0 H TYR A 45 -0.665 7.008 0.606 1.00 0.08 H new ATOM 0 HA TYR A 45 -0.951 8.859 -1.670 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.280 9.019 1.305 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.720 10.460 0.480 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -3.028 8.136 -1.253 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -2.744 11.687 1.095 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.344 8.713 -1.837 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -5.057 12.259 0.508 1.00 0.18 H new ATOM 0 HH TYR A 45 -6.879 11.689 -0.595 1.00 0.19 H new ATOM 747 N LEU A 46 1.773 8.131 -0.143 1.00 0.08 N ATOM 748 CA LEU A 46 3.217 8.351 -0.116 1.00 0.09 C ATOM 749 C LEU A 46 3.781 8.406 -1.529 1.00 0.09 C ATOM 750 O LEU A 46 3.050 8.576 -2.505 1.00 0.11 O ATOM 751 CB LEU A 46 3.936 7.225 0.631 1.00 0.10 C ATOM 752 CG LEU A 46 3.463 6.925 2.053 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.379 5.894 2.693 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.420 8.190 2.896 1.00 0.12 C ATOM 0 H LEU A 46 1.470 7.260 0.294 1.00 0.08 H new ATOM 0 HA LEU A 46 3.382 9.299 0.396 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.840 6.313 0.042 1.00 0.10 H new ATOM 0 HB3 LEU A 46 4.998 7.469 0.671 1.00 0.10 H new ATOM 0 HG LEU A 46 2.451 6.524 2.002 1.00 0.11 H new ATOM 0 HD11 LEU A 46 4.038 5.683 3.707 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.360 4.976 2.106 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.397 6.282 2.726 1.00 0.14 H new ATOM 0 HD21 LEU A 46 3.080 7.945 3.902 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.417 8.628 2.946 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.732 8.905 2.444 1.00 0.12 H new ATOM 766 N ASP A 47 5.094 8.251 -1.621 1.00 0.09 N ATOM 767 CA ASP A 47 5.780 8.252 -2.899 1.00 0.10 C ATOM 768 C ASP A 47 7.039 7.408 -2.817 1.00 0.10 C ATOM 769 O ASP A 47 7.432 6.974 -1.735 1.00 0.16 O ATOM 770 CB ASP A 47 6.136 9.677 -3.321 1.00 0.11 C ATOM 771 CG ASP A 47 6.413 10.583 -2.138 1.00 0.73 C ATOM 772 OD1 ASP A 47 5.442 11.097 -1.545 1.00 0.96 O ATOM 773 OD2 ASP A 47 7.600 10.779 -1.805 1.00 1.31 O ATOM 0 H ASP A 47 5.707 8.122 -0.816 1.00 0.09 H new ATOM 0 HA ASP A 47 5.111 7.826 -3.647 1.00 0.10 H new ATOM 0 HB2 ASP A 47 7.013 9.652 -3.968 1.00 0.11 H new ATOM 0 HB3 ASP A 47 5.318 10.093 -3.909 1.00 0.11 H new ATOM 778 N ASP A 48 7.660 7.173 -3.961 1.00 0.12 N ATOM 779 CA ASP A 48 8.875 6.391 -4.021 1.00 0.14 C ATOM 780 C ASP A 48 9.872 6.878 -2.982 1.00 0.14 C ATOM 781 O ASP A 48 10.450 6.090 -2.241 1.00 0.21 O ATOM 782 CB ASP A 48 9.472 6.507 -5.418 1.00 0.17 C ATOM 783 CG ASP A 48 9.455 7.930 -5.939 1.00 1.06 C ATOM 784 OD1 ASP A 48 10.433 8.667 -5.688 1.00 1.65 O ATOM 785 OD2 ASP A 48 8.466 8.311 -6.599 1.00 1.73 O ATOM 0 H ASP A 48 7.336 7.517 -4.865 1.00 0.12 H new ATOM 0 HA ASP A 48 8.644 5.347 -3.807 1.00 0.14 H new ATOM 0 HB2 ASP A 48 10.499 6.141 -5.403 1.00 0.17 H new ATOM 0 HB3 ASP A 48 8.916 5.866 -6.102 1.00 0.17 H new ATOM 790 N GLU A 49 10.049 8.188 -2.925 1.00 0.14 N ATOM 791 CA GLU A 49 10.989 8.795 -1.983 1.00 0.16 C ATOM 792 C GLU A 49 10.562 8.620 -0.525 1.00 0.13 C ATOM 793 O GLU A 49 11.369 8.196 0.300 1.00 0.19 O ATOM 794 CB GLU A 49 11.189 10.274 -2.287 1.00 0.23 C ATOM 795 CG GLU A 49 12.478 10.822 -1.699 1.00 0.37 C ATOM 796 CD GLU A 49 12.615 12.321 -1.881 1.00 0.46 C ATOM 797 OE1 GLU A 49 13.169 12.746 -2.916 1.00 0.51 O ATOM 798 OE2 GLU A 49 12.168 13.071 -0.987 1.00 0.52 O ATOM 0 H GLU A 49 9.556 8.856 -3.518 1.00 0.14 H new ATOM 0 HA GLU A 49 11.934 8.267 -2.114 1.00 0.16 H new ATOM 0 HB2 GLU A 49 11.195 10.422 -3.367 1.00 0.23 H new ATOM 0 HB3 GLU A 49 10.345 10.840 -1.893 1.00 0.23 H new ATOM 0 HG2 GLU A 49 12.517 10.584 -0.636 1.00 0.37 H new ATOM 0 HG3 GLU A 49 13.327 10.324 -2.168 1.00 0.37 H new ATOM 805 N THR A 50 9.314 8.961 -0.194 1.00 0.11 N ATOM 806 CA THR A 50 8.847 8.817 1.185 1.00 0.10 C ATOM 807 C THR A 50 9.192 7.432 1.699 1.00 0.09 C ATOM 808 O THR A 50 9.692 7.274 2.808 1.00 0.13 O ATOM 809 CB THR A 50 7.329 9.029 1.319 1.00 0.12 C ATOM 810 OG1 THR A 50 6.973 10.338 0.859 1.00 0.19 O ATOM 811 CG2 THR A 50 6.893 8.856 2.769 1.00 0.14 C ATOM 0 H THR A 50 8.623 9.331 -0.847 1.00 0.11 H new ATOM 0 HA THR A 50 9.347 9.587 1.773 1.00 0.10 H new ATOM 0 HB THR A 50 6.820 8.283 0.708 1.00 0.12 H new ATOM 0 HG1 THR A 50 6.005 10.463 0.946 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.817 9.009 2.846 1.00 0.14 H new ATOM 0 HG22 THR A 50 7.141 7.850 3.106 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.409 9.585 3.394 1.00 0.14 H new ATOM 819 N LEU A 51 8.929 6.444 0.858 1.00 0.09 N ATOM 820 CA LEU A 51 9.216 5.051 1.165 1.00 0.11 C ATOM 821 C LEU A 51 10.646 4.908 1.644 1.00 0.11 C ATOM 822 O LEU A 51 10.927 4.212 2.617 1.00 0.14 O ATOM 823 CB LEU A 51 9.013 4.238 -0.098 1.00 0.12 C ATOM 824 CG LEU A 51 7.548 4.059 -0.498 1.00 0.16 C ATOM 825 CD1 LEU A 51 7.435 3.522 -1.914 1.00 0.89 C ATOM 826 CD2 LEU A 51 6.846 3.137 0.487 1.00 0.74 C ATOM 0 H LEU A 51 8.509 6.586 -0.060 1.00 0.09 H new ATOM 0 HA LEU A 51 8.552 4.697 1.954 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.546 4.721 -0.917 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.463 3.255 0.039 1.00 0.12 H new ATOM 0 HG LEU A 51 7.060 5.033 -0.471 1.00 0.16 H new ATOM 0 HD11 LEU A 51 6.383 3.403 -2.175 1.00 0.89 H new ATOM 0 HD12 LEU A 51 7.904 4.221 -2.607 1.00 0.89 H new ATOM 0 HD13 LEU A 51 7.936 2.556 -1.978 1.00 0.89 H new ATOM 0 HD21 LEU A 51 5.803 3.016 0.193 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.338 2.164 0.488 1.00 0.74 H new ATOM 0 HD23 LEU A 51 6.893 3.569 1.487 1.00 0.74 H new ATOM 838 N GLU A 52 11.540 5.579 0.941 1.00 0.10 N ATOM 839 CA GLU A 52 12.948 5.566 1.280 1.00 0.13 C ATOM 840 C GLU A 52 13.144 6.136 2.682 1.00 0.13 C ATOM 841 O GLU A 52 13.955 5.636 3.462 1.00 0.16 O ATOM 842 CB GLU A 52 13.717 6.390 0.251 1.00 0.16 C ATOM 843 CG GLU A 52 15.225 6.235 0.344 1.00 0.33 C ATOM 844 CD GLU A 52 15.972 7.331 -0.389 1.00 0.44 C ATOM 845 OE1 GLU A 52 16.250 8.378 0.233 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.281 7.143 -1.584 1.00 0.52 O ATOM 0 H GLU A 52 11.311 6.145 0.124 1.00 0.10 H new ATOM 0 HA GLU A 52 13.325 4.543 1.268 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.392 6.100 -0.748 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.461 7.442 0.377 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.522 6.237 1.393 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.513 5.267 -0.067 1.00 0.33 H new ATOM 853 N LYS A 53 12.391 7.190 2.993 1.00 0.13 N ATOM 854 CA LYS A 53 12.459 7.822 4.306 1.00 0.16 C ATOM 855 C LYS A 53 11.982 6.863 5.395 1.00 0.18 C ATOM 856 O LYS A 53 12.427 6.938 6.540 1.00 0.25 O ATOM 857 CB LYS A 53 11.608 9.092 4.323 1.00 0.17 C ATOM 858 CG LYS A 53 12.122 10.224 3.450 1.00 0.42 C ATOM 859 CD LYS A 53 13.503 10.687 3.863 1.00 0.60 C ATOM 860 CE LYS A 53 14.548 9.868 3.147 1.00 1.54 C ATOM 861 NZ LYS A 53 15.009 10.522 1.891 1.00 2.19 N ATOM 0 H LYS A 53 11.727 7.623 2.352 1.00 0.13 H new ATOM 0 HA LYS A 53 13.498 8.084 4.506 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.597 8.838 4.004 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.537 9.450 5.350 1.00 0.17 H new ATOM 0 HG2 LYS A 53 12.147 9.896 2.411 1.00 0.42 H new ATOM 0 HG3 LYS A 53 11.429 11.064 3.502 1.00 0.42 H new ATOM 0 HD2 LYS A 53 13.629 11.743 3.626 1.00 0.60 H new ATOM 0 HD3 LYS A 53 13.624 10.586 4.942 1.00 0.60 H new ATOM 0 HE2 LYS A 53 15.401 9.712 3.808 1.00 1.54 H new ATOM 0 HE3 LYS A 53 14.140 8.884 2.914 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 15.463 9.815 1.278 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 14.194 10.937 1.396 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 15.692 11.272 2.121 1.00 2.19 H new ATOM 875 N LYS A 54 11.073 5.960 5.028 1.00 0.13 N ATOM 876 CA LYS A 54 10.537 4.981 5.969 1.00 0.16 C ATOM 877 C LYS A 54 11.575 3.902 6.225 1.00 0.17 C ATOM 878 O LYS A 54 12.009 3.680 7.355 1.00 0.21 O ATOM 879 CB LYS A 54 9.272 4.318 5.406 1.00 0.16 C ATOM 880 CG LYS A 54 8.493 5.175 4.417 1.00 0.25 C ATOM 881 CD LYS A 54 7.874 6.413 5.044 1.00 0.39 C ATOM 882 CE LYS A 54 6.833 6.068 6.092 1.00 0.30 C ATOM 883 NZ LYS A 54 7.443 5.749 7.414 1.00 1.20 N ATOM 0 H LYS A 54 10.693 5.887 4.084 1.00 0.13 H new ATOM 0 HA LYS A 54 10.288 5.499 6.895 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.554 3.386 4.916 1.00 0.16 H new ATOM 0 HB3 LYS A 54 8.615 4.056 6.235 1.00 0.16 H new ATOM 0 HG2 LYS A 54 9.159 5.480 3.610 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.704 4.572 3.968 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.658 7.018 5.499 1.00 0.39 H new ATOM 0 HD3 LYS A 54 7.414 7.021 4.265 1.00 0.39 H new ATOM 0 HE2 LYS A 54 6.144 6.905 6.205 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.246 5.216 5.750 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 6.893 6.206 8.169 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 7.440 4.719 7.558 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 8.422 6.099 7.438 1.00 1.20 H new ATOM 897 N GLY A 55 11.957 3.240 5.144 1.00 0.19 N ATOM 898 CA GLY A 55 12.934 2.177 5.204 1.00 0.23 C ATOM 899 C GLY A 55 13.101 1.503 3.858 1.00 0.25 C ATOM 900 O GLY A 55 14.084 0.800 3.619 1.00 0.38 O ATOM 0 H GLY A 55 11.598 3.427 4.208 1.00 0.19 H new ATOM 0 HA2 GLY A 55 13.892 2.580 5.532 1.00 0.23 H new ATOM 0 HA3 GLY A 55 12.627 1.440 5.946 1.00 0.23 H new ATOM 904 N VAL A 56 12.126 1.721 2.977 1.00 0.17 N ATOM 905 CA VAL A 56 12.152 1.163 1.633 1.00 0.21 C ATOM 906 C VAL A 56 13.268 1.826 0.836 1.00 0.40 C ATOM 907 O VAL A 56 13.056 2.840 0.190 1.00 0.89 O ATOM 908 CB VAL A 56 10.797 1.390 0.925 1.00 0.18 C ATOM 909 CG1 VAL A 56 10.656 0.523 -0.318 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.641 1.138 1.886 1.00 0.17 C ATOM 0 H VAL A 56 11.301 2.287 3.177 1.00 0.17 H new ATOM 0 HA VAL A 56 12.332 0.090 1.697 1.00 0.21 H new ATOM 0 HB VAL A 56 10.767 2.431 0.604 1.00 0.18 H new ATOM 0 HG11 VAL A 56 9.690 0.713 -0.786 1.00 0.28 H new ATOM 0 HG12 VAL A 56 11.453 0.763 -1.021 1.00 0.28 H new ATOM 0 HG13 VAL A 56 10.723 -0.528 -0.038 1.00 0.28 H new ATOM 0 HG21 VAL A 56 8.696 1.303 1.369 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.684 0.110 2.245 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.716 1.821 2.732 1.00 0.17 H new ATOM 920 N LEU A 57 14.457 1.242 0.898 1.00 0.21 N ATOM 921 CA LEU A 57 15.633 1.791 0.221 1.00 0.26 C ATOM 922 C LEU A 57 15.905 1.104 -1.114 1.00 0.36 C ATOM 923 O LEU A 57 17.048 1.052 -1.571 1.00 0.83 O ATOM 924 CB LEU A 57 16.851 1.635 1.135 1.00 0.34 C ATOM 925 CG LEU A 57 17.042 2.722 2.204 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.721 3.380 2.574 1.00 0.24 C ATOM 927 CD2 LEU A 57 17.695 2.129 3.442 1.00 0.55 C ATOM 0 H LEU A 57 14.637 0.381 1.414 1.00 0.21 H new ATOM 0 HA LEU A 57 15.439 2.843 0.011 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.781 0.670 1.637 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.745 1.606 0.512 1.00 0.34 H new ATOM 0 HG LEU A 57 17.692 3.490 1.786 1.00 0.37 H new ATOM 0 HD11 LEU A 57 15.895 4.143 3.332 1.00 0.24 H new ATOM 0 HD12 LEU A 57 15.284 3.841 1.688 1.00 0.24 H new ATOM 0 HD13 LEU A 57 15.037 2.628 2.967 1.00 0.24 H new ATOM 0 HD21 LEU A 57 17.826 2.908 4.193 1.00 0.55 H new ATOM 0 HD22 LEU A 57 17.061 1.339 3.845 1.00 0.55 H new ATOM 0 HD23 LEU A 57 18.667 1.714 3.177 1.00 0.55 H new ATOM 939 N ALA A 58 14.860 0.581 -1.737 1.00 0.21 N ATOM 940 CA ALA A 58 15.001 -0.104 -3.018 1.00 0.17 C ATOM 941 C ALA A 58 14.275 0.619 -4.127 1.00 0.13 C ATOM 942 O ALA A 58 13.054 0.631 -4.162 1.00 0.12 O ATOM 943 CB ALA A 58 14.471 -1.521 -2.917 1.00 0.18 C ATOM 0 H ALA A 58 13.905 0.616 -1.379 1.00 0.21 H new ATOM 0 HA ALA A 58 16.064 -0.120 -3.259 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.582 -2.021 -3.879 1.00 0.18 H new ATOM 0 HB2 ALA A 58 15.032 -2.066 -2.158 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.417 -1.496 -2.641 1.00 0.18 H new ATOM 949 N LEU A 59 15.034 1.216 -5.036 1.00 0.14 N ATOM 950 CA LEU A 59 14.444 1.906 -6.166 1.00 0.13 C ATOM 951 C LEU A 59 13.406 1.006 -6.809 1.00 0.12 C ATOM 952 O LEU A 59 12.427 1.470 -7.393 1.00 0.14 O ATOM 953 CB LEU A 59 15.519 2.281 -7.186 1.00 0.15 C ATOM 954 CG LEU A 59 15.927 3.752 -7.175 1.00 0.19 C ATOM 955 CD1 LEU A 59 14.724 4.617 -7.484 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.524 4.130 -5.831 1.00 0.27 C ATOM 0 H LEU A 59 16.054 1.235 -5.010 1.00 0.14 H new ATOM 0 HA LEU A 59 13.970 2.824 -5.819 1.00 0.13 H new ATOM 0 HB2 LEU A 59 16.404 1.672 -7.001 1.00 0.15 H new ATOM 0 HB3 LEU A 59 15.159 2.026 -8.183 1.00 0.15 H new ATOM 0 HG LEU A 59 16.686 3.915 -7.940 1.00 0.19 H new ATOM 0 HD11 LEU A 59 15.019 5.666 -7.475 1.00 0.24 H new ATOM 0 HD12 LEU A 59 14.333 4.358 -8.468 1.00 0.24 H new ATOM 0 HD13 LEU A 59 13.953 4.450 -6.732 1.00 0.24 H new ATOM 0 HD21 LEU A 59 16.809 5.182 -5.842 1.00 0.27 H new ATOM 0 HD22 LEU A 59 15.787 3.962 -5.045 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.405 3.518 -5.639 1.00 0.27 H new ATOM 968 N GLY A 60 13.645 -0.296 -6.696 1.00 0.12 N ATOM 969 CA GLY A 60 12.732 -1.268 -7.239 1.00 0.12 C ATOM 970 C GLY A 60 11.482 -1.428 -6.395 1.00 0.11 C ATOM 971 O GLY A 60 10.372 -1.426 -6.917 1.00 0.14 O ATOM 0 H GLY A 60 14.463 -0.692 -6.233 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.449 -0.971 -8.249 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.237 -2.230 -7.320 1.00 0.12 H new ATOM 975 N ALA A 61 11.671 -1.560 -5.084 1.00 0.10 N ATOM 976 CA ALA A 61 10.561 -1.739 -4.148 1.00 0.10 C ATOM 977 C ALA A 61 9.772 -0.450 -3.912 1.00 0.11 C ATOM 978 O ALA A 61 8.573 -0.494 -3.638 1.00 0.16 O ATOM 979 CB ALA A 61 11.083 -2.278 -2.825 1.00 0.13 C ATOM 0 H ALA A 61 12.590 -1.546 -4.642 1.00 0.10 H new ATOM 0 HA ALA A 61 9.874 -2.455 -4.599 1.00 0.10 H new ATOM 0 HB1 ALA A 61 10.252 -2.409 -2.132 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.572 -3.238 -2.991 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.800 -1.574 -2.403 1.00 0.13 H new ATOM 985 N ARG A 62 10.442 0.694 -4.024 1.00 0.14 N ATOM 986 CA ARG A 62 9.797 1.978 -3.791 1.00 0.16 C ATOM 987 C ARG A 62 8.859 2.343 -4.923 1.00 0.11 C ATOM 988 O ARG A 62 7.644 2.424 -4.740 1.00 0.11 O ATOM 989 CB ARG A 62 10.840 3.087 -3.642 1.00 0.23 C ATOM 990 CG ARG A 62 11.834 2.866 -2.522 1.00 0.32 C ATOM 991 CD ARG A 62 12.670 4.110 -2.269 1.00 0.23 C ATOM 992 NE ARG A 62 13.395 4.557 -3.457 1.00 0.21 N ATOM 993 CZ ARG A 62 13.645 5.837 -3.722 1.00 0.46 C ATOM 994 NH1 ARG A 62 13.210 6.782 -2.903 1.00 0.81 N ATOM 995 NH2 ARG A 62 14.327 6.174 -4.804 1.00 0.48 N ATOM 0 H ARG A 62 11.429 0.756 -4.274 1.00 0.14 H new ATOM 0 HA ARG A 62 9.222 1.883 -2.870 1.00 0.16 H new ATOM 0 HB2 ARG A 62 11.385 3.185 -4.581 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.325 4.033 -3.473 1.00 0.23 H new ATOM 0 HG2 ARG A 62 11.303 2.591 -1.611 1.00 0.32 H new ATOM 0 HG3 ARG A 62 12.488 2.031 -2.773 1.00 0.32 H new ATOM 0 HD2 ARG A 62 12.021 4.914 -1.921 1.00 0.23 H new ATOM 0 HD3 ARG A 62 13.382 3.907 -1.469 1.00 0.23 H new ATOM 0 HE ARG A 62 13.726 3.852 -4.116 1.00 0.21 H new ATOM 0 HH11 ARG A 62 12.682 6.529 -2.067 1.00 0.81 H new ATOM 0 HH12 ARG A 62 13.403 7.763 -3.108 1.00 0.81 H new ATOM 0 HH21 ARG A 62 14.664 5.451 -5.440 1.00 0.48 H new ATOM 0 HH22 ARG A 62 14.516 7.157 -5.002 1.00 0.48 H new ATOM 1009 N ARG A 63 9.435 2.567 -6.096 1.00 0.12 N ATOM 1010 CA ARG A 63 8.658 2.924 -7.266 1.00 0.13 C ATOM 1011 C ARG A 63 7.582 1.871 -7.506 1.00 0.12 C ATOM 1012 O ARG A 63 6.611 2.103 -8.228 1.00 0.14 O ATOM 1013 CB ARG A 63 9.568 3.048 -8.487 1.00 0.16 C ATOM 1014 CG ARG A 63 10.581 4.177 -8.373 1.00 0.79 C ATOM 1015 CD ARG A 63 11.591 4.147 -9.509 1.00 0.75 C ATOM 1016 NE ARG A 63 12.362 5.384 -9.587 1.00 1.33 N ATOM 1017 CZ ARG A 63 13.028 5.774 -10.672 1.00 1.56 C ATOM 1018 NH1 ARG A 63 13.019 5.023 -11.766 1.00 1.33 N ATOM 1019 NH2 ARG A 63 13.702 6.915 -10.662 1.00 2.47 N ATOM 0 H ARG A 63 10.440 2.507 -6.259 1.00 0.12 H new ATOM 0 HA ARG A 63 8.178 3.888 -7.098 1.00 0.13 H new ATOM 0 HB2 ARG A 63 10.099 2.107 -8.633 1.00 0.16 H new ATOM 0 HB3 ARG A 63 8.954 3.208 -9.373 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.060 5.134 -8.375 1.00 0.79 H new ATOM 0 HG3 ARG A 63 11.104 4.101 -7.420 1.00 0.79 H new ATOM 0 HD2 ARG A 63 12.269 3.305 -9.369 1.00 0.75 H new ATOM 0 HD3 ARG A 63 11.071 3.984 -10.453 1.00 0.75 H new ATOM 0 HE ARG A 63 12.392 5.984 -8.763 1.00 1.33 H new ATOM 0 HH11 ARG A 63 12.501 4.144 -11.777 1.00 1.33 H new ATOM 0 HH12 ARG A 63 13.530 5.324 -12.596 1.00 1.33 H new ATOM 0 HH21 ARG A 63 13.711 7.495 -9.823 1.00 2.47 H new ATOM 0 HH22 ARG A 63 14.212 7.213 -11.493 1.00 2.47 H new ATOM 1033 N LYS A 64 7.772 0.707 -6.883 1.00 0.10 N ATOM 1034 CA LYS A 64 6.827 -0.397 -6.996 1.00 0.13 C ATOM 1035 C LYS A 64 5.583 -0.119 -6.175 1.00 0.11 C ATOM 1036 O LYS A 64 4.464 -0.223 -6.668 1.00 0.12 O ATOM 1037 CB LYS A 64 7.476 -1.688 -6.503 1.00 0.18 C ATOM 1038 CG LYS A 64 7.583 -2.779 -7.564 1.00 0.76 C ATOM 1039 CD LYS A 64 8.209 -2.268 -8.854 1.00 1.33 C ATOM 1040 CE LYS A 64 8.309 -3.371 -9.895 1.00 1.80 C ATOM 1041 NZ LYS A 64 8.755 -2.850 -11.216 1.00 2.52 N ATOM 0 H LYS A 64 8.579 0.507 -6.292 1.00 0.10 H new ATOM 0 HA LYS A 64 6.546 -0.503 -8.044 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.475 -1.460 -6.130 1.00 0.18 H new ATOM 0 HB3 LYS A 64 6.901 -2.072 -5.660 1.00 0.18 H new ATOM 0 HG2 LYS A 64 8.179 -3.604 -7.175 1.00 0.76 H new ATOM 0 HG3 LYS A 64 6.590 -3.175 -7.776 1.00 0.76 H new ATOM 0 HD2 LYS A 64 7.613 -1.445 -9.249 1.00 1.33 H new ATOM 0 HD3 LYS A 64 9.202 -1.870 -8.646 1.00 1.33 H new ATOM 0 HE2 LYS A 64 9.008 -4.133 -9.550 1.00 1.80 H new ATOM 0 HE3 LYS A 64 7.339 -3.855 -10.005 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 8.810 -3.634 -11.898 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 8.075 -2.141 -11.557 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 9.692 -2.410 -11.117 1.00 2.52 H new ATOM 1055 N LEU A 65 5.795 0.223 -4.912 1.00 0.11 N ATOM 1056 CA LEU A 65 4.697 0.518 -4.008 1.00 0.11 C ATOM 1057 C LEU A 65 3.777 1.577 -4.598 1.00 0.08 C ATOM 1058 O LEU A 65 2.581 1.597 -4.313 1.00 0.09 O ATOM 1059 CB LEU A 65 5.242 0.969 -2.658 1.00 0.13 C ATOM 1060 CG LEU A 65 5.373 -0.148 -1.628 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.717 -0.072 -0.926 1.00 0.22 C ATOM 1062 CD2 LEU A 65 4.233 -0.081 -0.626 1.00 0.23 C ATOM 0 H LEU A 65 6.721 0.303 -4.491 1.00 0.11 H new ATOM 0 HA LEU A 65 4.111 -0.390 -3.865 1.00 0.11 H new ATOM 0 HB2 LEU A 65 6.221 1.425 -2.809 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.588 1.743 -2.256 1.00 0.13 H new ATOM 0 HG LEU A 65 5.316 -1.106 -2.145 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.792 -0.877 -0.195 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.517 -0.173 -1.660 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.809 0.888 -0.419 1.00 0.22 H new ATOM 0 HD21 LEU A 65 4.341 -0.885 0.102 1.00 0.23 H new ATOM 0 HD22 LEU A 65 4.256 0.880 -0.112 1.00 0.23 H new ATOM 0 HD23 LEU A 65 3.283 -0.190 -1.148 1.00 0.23 H new ATOM 1074 N LEU A 66 4.339 2.453 -5.427 1.00 0.08 N ATOM 1075 CA LEU A 66 3.555 3.503 -6.065 1.00 0.09 C ATOM 1076 C LEU A 66 2.429 2.904 -6.896 1.00 0.11 C ATOM 1077 O LEU A 66 1.390 3.534 -7.097 1.00 0.14 O ATOM 1078 CB LEU A 66 4.449 4.385 -6.930 1.00 0.11 C ATOM 1079 CG LEU A 66 5.095 5.552 -6.188 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.442 5.890 -6.795 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.178 6.766 -6.204 1.00 0.14 C ATOM 0 H LEU A 66 5.329 2.456 -5.671 1.00 0.08 H new ATOM 0 HA LEU A 66 3.111 4.121 -5.285 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.235 3.768 -7.365 1.00 0.11 H new ATOM 0 HB3 LEU A 66 3.858 4.779 -7.757 1.00 0.11 H new ATOM 0 HG LEU A 66 5.254 5.256 -5.151 1.00 0.12 H new ATOM 0 HD11 LEU A 66 6.887 6.724 -6.252 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.099 5.023 -6.729 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.311 6.166 -7.841 1.00 0.15 H new ATOM 0 HD21 LEU A 66 4.654 7.589 -5.671 1.00 0.14 H new ATOM 0 HD22 LEU A 66 3.987 7.064 -7.235 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.235 6.516 -5.718 1.00 0.14 H new ATOM 1093 N LYS A 67 2.641 1.683 -7.377 1.00 0.12 N ATOM 1094 CA LYS A 67 1.627 0.993 -8.158 1.00 0.16 C ATOM 1095 C LYS A 67 0.501 0.581 -7.234 1.00 0.14 C ATOM 1096 O LYS A 67 -0.678 0.691 -7.568 1.00 0.16 O ATOM 1097 CB LYS A 67 2.210 -0.245 -8.843 1.00 0.22 C ATOM 1098 CG LYS A 67 3.065 0.073 -10.059 1.00 0.84 C ATOM 1099 CD LYS A 67 2.206 0.418 -11.264 1.00 1.26 C ATOM 1100 CE LYS A 67 1.300 -0.740 -11.648 1.00 1.56 C ATOM 1101 NZ LYS A 67 2.071 -1.894 -12.187 1.00 2.20 N ATOM 0 H LYS A 67 3.503 1.155 -7.239 1.00 0.12 H new ATOM 0 HA LYS A 67 1.257 1.664 -8.933 1.00 0.16 H new ATOM 0 HB2 LYS A 67 2.812 -0.798 -8.122 1.00 0.22 H new ATOM 0 HB3 LYS A 67 1.393 -0.900 -9.146 1.00 0.22 H new ATOM 0 HG2 LYS A 67 3.728 0.908 -9.832 1.00 0.84 H new ATOM 0 HG3 LYS A 67 3.698 -0.782 -10.294 1.00 0.84 H new ATOM 0 HD2 LYS A 67 1.601 1.297 -11.042 1.00 1.26 H new ATOM 0 HD3 LYS A 67 2.846 0.676 -12.107 1.00 1.26 H new ATOM 0 HE2 LYS A 67 0.730 -1.060 -10.775 1.00 1.56 H new ATOM 0 HE3 LYS A 67 0.579 -0.405 -12.394 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 1.412 -2.614 -12.546 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 2.686 -1.570 -12.961 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 2.655 -2.305 -11.431 1.00 2.20 H new ATOM 1115 N ALA A 68 0.892 0.117 -6.055 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.055 -0.312 -5.042 1.00 0.14 C ATOM 1117 C ALA A 68 -0.757 0.891 -4.433 1.00 0.13 C ATOM 1118 O ALA A 68 -1.844 0.775 -3.880 1.00 0.23 O ATOM 1119 CB ALA A 68 0.666 -1.104 -3.963 1.00 0.17 C ATOM 0 H ALA A 68 1.870 0.029 -5.777 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.805 -0.951 -5.508 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.050 -1.423 -3.206 1.00 0.17 H new ATOM 0 HB2 ALA A 68 1.137 -1.980 -4.408 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.428 -0.478 -3.500 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.118 2.048 -4.544 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.657 3.280 -3.994 1.00 0.11 C ATOM 1127 C PHE A 69 -1.863 3.784 -4.789 1.00 0.10 C ATOM 1128 O PHE A 69 -2.868 4.196 -4.210 1.00 0.12 O ATOM 1129 CB PHE A 69 0.432 4.357 -3.980 1.00 0.11 C ATOM 1130 CG PHE A 69 1.518 4.152 -2.948 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.463 3.108 -2.033 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.597 5.021 -2.895 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.458 2.941 -1.089 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.595 4.856 -1.955 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.525 3.816 -1.050 1.00 0.12 C ATOM 0 H PHE A 69 0.781 2.157 -5.014 1.00 0.11 H new ATOM 0 HA PHE A 69 -0.992 3.069 -2.979 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.893 4.400 -4.967 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.037 5.325 -3.805 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.632 2.418 -2.060 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.658 5.838 -3.599 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.401 2.126 -0.382 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.430 5.540 -1.928 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.304 3.687 -0.313 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.761 3.746 -6.112 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.840 4.237 -6.956 1.00 0.13 C ATOM 1147 C GLY A 70 -4.050 3.325 -7.019 1.00 0.13 C ATOM 1148 O GLY A 70 -5.180 3.784 -6.859 1.00 0.13 O ATOM 0 H GLY A 70 -0.952 3.385 -6.618 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.155 5.214 -6.590 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.457 4.383 -7.966 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.823 2.039 -7.257 1.00 0.14 N ATOM 1153 CA ILE A 71 -4.918 1.078 -7.355 1.00 0.15 C ATOM 1154 C ILE A 71 -5.812 1.138 -6.123 1.00 0.13 C ATOM 1155 O ILE A 71 -7.023 0.938 -6.214 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.383 -0.357 -7.532 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.398 -0.408 -8.700 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.528 -1.331 -7.763 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.374 -1.511 -8.574 1.00 0.25 C ATOM 0 H ILE A 71 -2.894 1.637 -7.386 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.506 1.347 -8.232 1.00 0.15 H new ATOM 0 HB ILE A 71 -3.864 -0.650 -6.619 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -3.953 -0.542 -9.628 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -2.882 0.550 -8.773 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -5.130 -2.338 -7.886 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -6.203 -1.309 -6.907 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -6.073 -1.045 -8.662 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.708 -1.489 -9.436 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -1.793 -1.366 -7.663 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -2.881 -2.475 -8.532 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.213 1.418 -4.971 1.00 0.11 N ATOM 1172 CA VAL A 72 -5.971 1.514 -3.729 1.00 0.11 C ATOM 1173 C VAL A 72 -6.823 2.771 -3.727 1.00 0.12 C ATOM 1174 O VAL A 72 -8.012 2.722 -3.434 1.00 0.15 O ATOM 1175 CB VAL A 72 -5.057 1.541 -2.490 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -5.879 1.697 -1.214 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.191 0.294 -2.426 1.00 0.12 C ATOM 0 H VAL A 72 -4.211 1.582 -4.871 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.600 0.626 -3.677 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.397 2.404 -2.577 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.213 1.714 -0.352 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.442 2.629 -1.256 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.571 0.860 -1.122 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.555 0.338 -1.542 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.828 -0.589 -2.371 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.568 0.237 -3.319 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.195 3.894 -4.065 1.00 0.13 N ATOM 1188 CA ILE A 73 -6.870 5.187 -4.094 1.00 0.16 C ATOM 1189 C ILE A 73 -8.118 5.158 -4.965 1.00 0.19 C ATOM 1190 O ILE A 73 -9.190 5.562 -4.540 1.00 0.28 O ATOM 1191 CB ILE A 73 -5.920 6.282 -4.617 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -4.869 6.624 -3.562 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.711 7.523 -5.012 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.705 7.428 -4.098 1.00 0.16 C ATOM 0 H ILE A 73 -5.209 3.933 -4.325 1.00 0.13 H new ATOM 0 HA ILE A 73 -7.168 5.411 -3.070 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.406 5.906 -5.502 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.345 7.184 -2.757 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.490 5.699 -3.127 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -6.028 8.288 -5.380 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -7.424 7.266 -5.796 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -7.249 7.904 -4.143 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -3.001 7.632 -3.291 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -3.203 6.862 -4.883 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -4.071 8.370 -4.507 1.00 0.16 H new ATOM 1206 N ASP A 74 -7.957 4.682 -6.182 1.00 0.18 N ATOM 1207 CA ASP A 74 -9.056 4.608 -7.143 1.00 0.21 C ATOM 1208 C ASP A 74 -10.206 3.767 -6.603 1.00 0.19 C ATOM 1209 O ASP A 74 -11.326 4.257 -6.465 1.00 0.22 O ATOM 1210 CB ASP A 74 -8.557 4.024 -8.466 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.545 4.222 -9.599 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -9.731 5.380 -10.029 1.00 0.61 O ATOM 1213 OD2 ASP A 74 -10.130 3.218 -10.058 1.00 0.55 O ATOM 0 H ASP A 74 -7.067 4.335 -6.539 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.426 5.619 -7.311 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.608 4.491 -8.730 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.364 2.959 -8.339 1.00 0.26 H new ATOM 1218 N TYR A 75 -9.931 2.498 -6.310 1.00 0.20 N ATOM 1219 CA TYR A 75 -10.949 1.610 -5.769 1.00 0.25 C ATOM 1220 C TYR A 75 -11.513 2.208 -4.495 1.00 0.27 C ATOM 1221 O TYR A 75 -12.681 2.029 -4.165 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.359 0.220 -5.545 1.00 0.31 C ATOM 1223 CG TYR A 75 -10.189 -0.539 -6.844 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -11.191 -0.522 -7.807 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -9.034 -1.258 -7.115 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -11.050 -1.200 -9.000 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -8.885 -1.940 -8.309 1.00 1.41 C ATOM 1228 CZ TYR A 75 -9.895 -1.908 -9.247 1.00 0.99 C ATOM 1229 OH TYR A 75 -9.748 -2.586 -10.435 1.00 1.24 O ATOM 0 H TYR A 75 -9.016 2.066 -6.438 1.00 0.20 H new ATOM 0 HA TYR A 75 -11.771 1.502 -6.477 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.393 0.312 -5.049 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -11.008 -0.346 -4.876 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -12.098 0.033 -7.618 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -8.240 -1.286 -6.383 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -11.840 -1.176 -9.736 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -7.980 -2.496 -8.506 1.00 1.41 H new ATOM 0 HH TYR A 75 -8.876 -3.033 -10.451 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.662 2.932 -3.792 1.00 0.24 N ATOM 1240 CA LYS A 76 -11.056 3.618 -2.579 1.00 0.30 C ATOM 1241 C LYS A 76 -12.028 4.729 -2.938 1.00 0.37 C ATOM 1242 O LYS A 76 -13.024 4.968 -2.256 1.00 0.51 O ATOM 1243 CB LYS A 76 -9.824 4.230 -1.924 1.00 0.29 C ATOM 1244 CG LYS A 76 -10.139 5.141 -0.764 1.00 0.40 C ATOM 1245 CD LYS A 76 -9.432 6.467 -0.937 1.00 0.43 C ATOM 1246 CE LYS A 76 -7.924 6.321 -0.875 1.00 0.75 C ATOM 1247 NZ LYS A 76 -7.235 7.614 -1.129 1.00 1.66 N ATOM 0 H LYS A 76 -9.682 3.060 -4.046 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.526 2.915 -1.892 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.172 3.428 -1.577 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -9.267 4.792 -2.674 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -11.215 5.300 -0.698 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -9.828 4.674 0.170 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -9.714 6.906 -1.894 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.761 7.157 -0.160 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -7.635 5.941 0.105 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -7.599 5.585 -1.610 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -6.222 7.516 -0.913 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -7.352 7.880 -2.128 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -7.648 8.352 -0.524 1.00 1.66 H new ATOM 1261 N GLU A 77 -11.699 5.397 -4.032 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.470 6.505 -4.551 1.00 0.36 C ATOM 1263 C GLU A 77 -13.749 6.018 -5.231 1.00 0.34 C ATOM 1264 O GLU A 77 -14.680 6.793 -5.450 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.587 7.291 -5.521 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.519 8.128 -4.824 1.00 0.49 C ATOM 1267 CD GLU A 77 -10.144 9.369 -5.608 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -10.882 10.374 -5.518 1.00 1.09 O ATOM 1269 OE2 GLU A 77 -9.113 9.339 -6.312 1.00 1.16 O ATOM 0 H GLU A 77 -10.874 5.177 -4.590 1.00 0.31 H new ATOM 0 HA GLU A 77 -12.781 7.154 -3.732 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -11.103 6.595 -6.206 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -12.216 7.946 -6.124 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -10.879 8.421 -3.838 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -9.629 7.518 -4.670 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.788 4.728 -5.560 1.00 0.31 N ATOM 1277 CA ARG A 78 -14.954 4.135 -6.206 1.00 0.33 C ATOM 1278 C ARG A 78 -15.847 3.452 -5.181 1.00 0.36 C ATOM 1279 O ARG A 78 -16.667 2.600 -5.526 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.527 3.108 -7.247 1.00 0.34 C ATOM 1281 CG ARG A 78 -13.885 3.708 -8.485 1.00 0.46 C ATOM 1282 CD ARG A 78 -13.598 2.637 -9.525 1.00 0.42 C ATOM 1283 NE ARG A 78 -12.781 3.146 -10.619 1.00 1.15 N ATOM 1284 CZ ARG A 78 -12.918 2.761 -11.884 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -13.840 1.866 -12.210 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -12.133 3.272 -12.822 1.00 2.37 N ATOM 0 H ARG A 78 -13.024 4.074 -5.389 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.507 4.939 -6.692 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -13.825 2.412 -6.788 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -15.399 2.528 -7.548 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -14.544 4.465 -8.910 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -12.958 4.211 -8.210 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -13.088 1.798 -9.051 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -14.539 2.255 -9.922 1.00 0.42 H new ATOM 0 HE ARG A 78 -12.063 3.837 -10.402 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -14.445 1.472 -11.490 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -13.944 1.571 -13.181 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -11.423 3.961 -12.573 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -12.239 2.976 -13.792 1.00 2.37 H new ATOM 1300 N ASP A 79 -15.684 3.835 -3.923 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.452 3.257 -2.840 1.00 0.43 C ATOM 1302 C ASP A 79 -16.326 1.737 -2.846 1.00 0.40 C ATOM 1303 O ASP A 79 -17.215 1.025 -2.378 1.00 0.47 O ATOM 1304 CB ASP A 79 -17.910 3.673 -2.958 1.00 0.54 C ATOM 1305 CG ASP A 79 -18.067 5.128 -3.352 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -18.072 5.418 -4.567 1.00 2.00 O ATOM 1307 OD2 ASP A 79 -18.187 5.980 -2.446 1.00 2.13 O ATOM 0 H ASP A 79 -15.019 4.551 -3.630 1.00 0.38 H new ATOM 0 HA ASP A 79 -16.057 3.627 -1.894 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -18.405 3.044 -3.698 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -18.412 3.501 -2.006 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.208 1.250 -3.382 1.00 0.32 N ATOM 1313 CA LEU A 80 -14.952 -0.181 -3.456 1.00 0.32 C ATOM 1314 C LEU A 80 -14.276 -0.675 -2.179 1.00 0.31 C ATOM 1315 O LEU A 80 -14.136 -1.878 -1.962 1.00 0.50 O ATOM 1316 CB LEU A 80 -14.098 -0.511 -4.685 1.00 0.29 C ATOM 1317 CG LEU A 80 -14.845 -1.234 -5.803 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.405 -0.232 -6.795 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -13.928 -2.212 -6.504 1.00 0.39 C ATOM 0 H LEU A 80 -14.465 1.830 -3.772 1.00 0.32 H new ATOM 0 HA LEU A 80 -15.908 -0.696 -3.555 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.684 0.416 -5.083 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.256 -1.128 -4.371 1.00 0.29 H new ATOM 0 HG LEU A 80 -15.673 -1.790 -5.364 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -15.935 -0.761 -7.587 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -16.094 0.440 -6.284 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.589 0.346 -7.228 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -14.476 -2.719 -7.298 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -13.082 -1.675 -6.933 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -13.564 -2.948 -5.787 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.857 0.270 -1.340 1.00 0.18 N ATOM 1332 CA ILE A 81 -13.210 -0.053 -0.070 1.00 0.14 C ATOM 1333 C ILE A 81 -14.105 0.347 1.095 1.00 0.13 C ATOM 1334 O ILE A 81 -14.704 1.424 1.088 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.851 0.659 0.075 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.910 0.222 -1.054 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.233 0.361 1.439 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.522 0.820 -0.963 1.00 0.17 C ATOM 0 H ILE A 81 -13.955 1.270 -1.518 1.00 0.18 H new ATOM 0 HA ILE A 81 -13.041 -1.130 -0.059 1.00 0.14 H new ATOM 0 HB ILE A 81 -12.007 1.735 0.003 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.828 -0.865 -1.045 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.353 0.500 -2.010 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.274 0.872 1.523 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.901 0.711 2.226 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -11.082 -0.713 1.543 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.917 0.463 -1.796 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.591 1.907 -1.004 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -9.058 0.521 -0.023 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.196 -0.525 2.091 1.00 0.13 N ATOM 1351 CA ASP A 82 -15.020 -0.262 3.259 1.00 0.13 C ATOM 1352 C ASP A 82 -14.538 0.985 3.984 1.00 0.13 C ATOM 1353 O ASP A 82 -13.342 1.153 4.223 1.00 0.13 O ATOM 1354 CB ASP A 82 -14.986 -1.451 4.213 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.209 -1.511 5.107 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -16.298 -0.698 6.051 1.00 0.41 O ATOM 1357 OD2 ASP A 82 -17.080 -2.372 4.864 1.00 0.47 O ATOM 0 H ASP A 82 -13.708 -1.421 2.111 1.00 0.13 H new ATOM 0 HA ASP A 82 -16.044 -0.103 2.921 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -14.915 -2.374 3.637 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.090 -1.392 4.831 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.476 1.856 4.332 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.149 3.086 5.034 1.00 0.16 C ATOM 1364 C ARG A 83 -14.518 2.780 6.387 1.00 0.18 C ATOM 1365 O ARG A 83 -13.964 3.665 7.039 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.397 3.955 5.204 1.00 0.19 C ATOM 1367 CG ARG A 83 -16.889 4.563 3.899 1.00 0.33 C ATOM 1368 CD ARG A 83 -15.894 5.570 3.340 1.00 0.63 C ATOM 1369 NE ARG A 83 -16.209 5.955 1.966 1.00 0.52 N ATOM 1370 CZ ARG A 83 -16.855 7.072 1.641 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -17.254 7.911 2.587 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -17.101 7.350 0.368 1.00 1.48 N ATOM 0 H ARG A 83 -16.470 1.732 4.139 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.424 3.640 4.437 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.194 3.353 5.639 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -16.180 4.756 5.911 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -17.056 3.772 3.168 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -17.849 5.052 4.064 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -15.886 6.458 3.971 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -14.891 5.145 3.375 1.00 0.63 H new ATOM 0 HE ARG A 83 -15.917 5.332 1.213 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -17.066 7.701 3.567 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -17.749 8.766 2.334 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -16.795 6.707 -0.363 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -17.596 8.206 0.119 1.00 1.48 H new ATOM 1386 N SER A 84 -14.612 1.522 6.806 1.00 0.17 N ATOM 1387 CA SER A 84 -14.040 1.098 8.077 1.00 0.20 C ATOM 1388 C SER A 84 -12.518 1.157 8.015 1.00 0.19 C ATOM 1389 O SER A 84 -11.861 1.496 9.001 1.00 0.23 O ATOM 1390 CB SER A 84 -14.499 -0.317 8.429 1.00 0.22 C ATOM 1391 OG SER A 84 -14.048 -0.695 9.718 1.00 1.09 O ATOM 0 H SER A 84 -15.078 0.780 6.284 1.00 0.17 H new ATOM 0 HA SER A 84 -14.388 1.777 8.855 1.00 0.20 H new ATOM 0 HB2 SER A 84 -15.587 -0.369 8.391 1.00 0.22 H new ATOM 0 HB3 SER A 84 -14.120 -1.020 7.687 1.00 0.22 H new ATOM 0 HG SER A 84 -14.564 -1.467 10.032 1.00 1.09 H new ATOM 1397 N ALA A 85 -11.963 0.825 6.851 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.518 0.860 6.658 1.00 0.16 C ATOM 1399 C ALA A 85 -9.999 2.269 6.883 1.00 0.19 C ATOM 1400 O ALA A 85 -8.987 2.474 7.553 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.150 0.389 5.257 1.00 0.14 C ATOM 0 H ALA A 85 -12.492 0.530 6.030 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.057 0.187 7.381 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.067 0.423 5.134 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.500 -0.633 5.113 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.619 1.040 4.519 1.00 0.14 H new ATOM 1407 N TYR A 86 -10.717 3.230 6.312 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.363 4.647 6.426 1.00 0.25 C ATOM 1409 C TYR A 86 -9.868 4.986 7.831 1.00 0.31 C ATOM 1410 O TYR A 86 -8.637 5.092 8.013 1.00 1.10 O ATOM 1411 CB TYR A 86 -11.565 5.531 6.081 1.00 0.28 C ATOM 1412 CG TYR A 86 -11.918 5.557 4.610 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.128 4.380 3.908 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -12.052 6.759 3.928 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.459 4.395 2.569 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -12.382 6.786 2.586 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.585 5.600 1.911 1.00 0.34 C ATOM 1418 OH TYR A 86 -12.918 5.621 0.577 1.00 0.40 O ATOM 1419 OXT TYR A 86 -10.716 5.143 8.735 1.00 1.02 O ATOM 0 H TYR A 86 -11.556 3.054 5.760 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.557 4.840 5.718 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.431 5.183 6.644 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.359 6.549 6.411 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -12.031 3.434 4.419 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -11.896 7.689 4.455 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.619 3.468 2.039 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -12.480 7.729 2.069 1.00 0.44 H new ATOM 0 HH TYR A 86 -12.967 6.549 0.267 1.00 0.40 H new