USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 854 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 85 LYS NZ :NH3+ 170:sc= 0.533 (180deg=0.109!) USER MOD Set 1.2: A 91 TYR OH : rot 30:sc= 0.0181 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 32:sc= 1.3 USER MOD Single : A 30 ASN : amide:sc= -0.567 K(o=-0.57,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= -0.0318 (180deg=-0.199) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 1.82 (180deg=1.71) USER MOD Single : A 41 MET CE :methyl 143:sc= -0.61 (180deg=-1.27) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 51 THR OG1 : rot 38:sc= 0.02 USER MOD Single : A 59 LYS NZ :NH3+ -139:sc= 1.95 (180deg=0.956) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 1.03 (180deg=0.796) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -147:sc= 0.412 (180deg=0.0901) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.155 USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= -0.0295 (180deg=-0.192) USER MOD Single : A 94 LYS NZ :NH3+ 170:sc=-0.00777 (180deg=-0.107) USER MOD Single : A 96 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.5!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 109:sc= 0.927 USER MOD Single : A 109 THR OG1 : rot 30:sc= 1.23 USER MOD Single : A 110 SER OG : rot 180:sc= -0.156 USER MOD Single : A 115 LYS NZ :NH3+ 178:sc= 1.29 (180deg=1.23) USER MOD Single : A 119 LYS NZ :NH3+ -163:sc= -0.0385 (180deg=-0.313) USER MOD Single : A 122 SER OG : rot 80:sc= 0.0526 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -7.746 -13.217 4.744 1.00 0.86 N ATOM 2 CA MET A 21 -7.600 -11.919 4.047 1.00 0.65 C ATOM 3 C MET A 21 -6.398 -11.945 3.108 1.00 0.55 C ATOM 4 O MET A 21 -5.365 -12.539 3.421 1.00 0.75 O ATOM 5 CB MET A 21 -7.439 -10.769 5.057 1.00 0.73 C ATOM 6 CG MET A 21 -6.163 -10.824 5.892 1.00 1.04 C ATOM 7 SD MET A 21 -6.082 -12.259 6.981 1.00 1.93 S ATOM 8 CE MET A 21 -4.534 -11.951 7.832 1.00 2.17 C ATOM 0 HA MET A 21 -8.505 -11.752 3.464 1.00 0.65 H new ATOM 0 HB2 MET A 21 -7.462 -9.823 4.516 1.00 0.73 H new ATOM 0 HB3 MET A 21 -8.297 -10.772 5.729 1.00 0.73 H new ATOM 0 HG2 MET A 21 -5.301 -10.834 5.225 1.00 1.04 H new ATOM 0 HG3 MET A 21 -6.091 -9.917 6.492 1.00 1.04 H new ATOM 0 HE1 MET A 21 -4.343 -12.755 8.543 1.00 2.17 H new ATOM 0 HE2 MET A 21 -3.722 -11.908 7.106 1.00 2.17 H new ATOM 0 HE3 MET A 21 -4.594 -11.002 8.365 1.00 2.17 H new ATOM 17 N THR A 22 -6.544 -11.315 1.954 1.00 0.43 N ATOM 18 CA THR A 22 -5.439 -11.143 1.031 1.00 0.41 C ATOM 19 C THR A 22 -4.743 -9.826 1.334 1.00 0.35 C ATOM 20 O THR A 22 -5.387 -8.872 1.781 1.00 0.38 O ATOM 21 CB THR A 22 -5.933 -11.158 -0.426 1.00 0.52 C ATOM 22 OG1 THR A 22 -6.628 -12.379 -0.679 1.00 0.82 O ATOM 23 CG2 THR A 22 -4.781 -11.022 -1.412 1.00 0.63 C ATOM 0 H THR A 22 -7.425 -10.912 1.634 1.00 0.43 H new ATOM 0 HA THR A 22 -4.739 -11.969 1.155 1.00 0.41 H new ATOM 0 HB THR A 22 -6.599 -10.306 -0.564 1.00 0.52 H new ATOM 0 HG1 THR A 22 -6.945 -12.389 -1.606 1.00 0.82 H new ATOM 0 HG21 THR A 22 -5.170 -11.037 -2.430 1.00 0.63 H new ATOM 0 HG22 THR A 22 -4.261 -10.081 -1.236 1.00 0.63 H new ATOM 0 HG23 THR A 22 -4.087 -11.851 -1.277 1.00 0.63 H new ATOM 31 N LEU A 23 -3.441 -9.770 1.121 1.00 0.32 N ATOM 32 CA LEU A 23 -2.689 -8.601 1.509 1.00 0.29 C ATOM 33 C LEU A 23 -2.223 -7.808 0.297 1.00 0.26 C ATOM 34 O LEU A 23 -1.474 -8.306 -0.546 1.00 0.30 O ATOM 35 CB LEU A 23 -1.507 -9.010 2.386 1.00 0.30 C ATOM 36 CG LEU A 23 -1.882 -9.814 3.637 1.00 0.36 C ATOM 37 CD1 LEU A 23 -0.655 -10.080 4.485 1.00 0.39 C ATOM 38 CD2 LEU A 23 -2.941 -9.088 4.451 1.00 0.39 C ATOM 0 H LEU A 23 -2.892 -10.512 0.687 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.345 -7.948 2.085 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -0.815 -9.600 1.786 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -0.974 -8.111 2.695 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.296 -10.769 3.314 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -0.940 -10.651 5.368 1.00 0.39 H new ATOM 0 HD12 LEU A 23 0.072 -10.648 3.905 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.213 -9.132 4.793 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.190 -9.678 5.333 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.558 -8.116 4.761 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -3.835 -8.949 3.843 1.00 0.39 H new ATOM 50 N PHE A 24 -2.685 -6.570 0.218 1.00 0.25 N ATOM 51 CA PHE A 24 -2.316 -5.676 -0.867 1.00 0.25 C ATOM 52 C PHE A 24 -1.470 -4.540 -0.325 1.00 0.26 C ATOM 53 O PHE A 24 -1.669 -4.090 0.804 1.00 0.30 O ATOM 54 CB PHE A 24 -3.560 -5.086 -1.542 1.00 0.28 C ATOM 55 CG PHE A 24 -4.464 -6.098 -2.184 1.00 0.34 C ATOM 56 CD1 PHE A 24 -5.301 -6.888 -1.414 1.00 1.24 C ATOM 57 CD2 PHE A 24 -4.485 -6.248 -3.560 1.00 1.25 C ATOM 58 CE1 PHE A 24 -6.138 -7.811 -2.004 1.00 1.25 C ATOM 59 CE2 PHE A 24 -5.321 -7.171 -4.155 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.148 -7.954 -3.377 1.00 0.51 C ATOM 0 H PHE A 24 -3.322 -6.159 0.900 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.754 -6.251 -1.603 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -4.130 -4.529 -0.799 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -3.241 -4.371 -2.300 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -5.298 -6.780 -0.339 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -3.841 -5.637 -4.174 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -6.785 -8.422 -1.392 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -5.328 -7.280 -5.229 1.00 1.30 H new ATOM 0 HZ PHE A 24 -6.802 -8.677 -3.841 1.00 0.51 H new ATOM 70 N VAL A 25 -0.526 -4.079 -1.118 1.00 0.29 N ATOM 71 CA VAL A 25 0.258 -2.924 -0.741 1.00 0.31 C ATOM 72 C VAL A 25 0.612 -2.080 -1.955 1.00 0.30 C ATOM 73 O VAL A 25 1.074 -2.584 -2.980 1.00 0.35 O ATOM 74 CB VAL A 25 1.536 -3.298 0.046 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.249 -4.482 -0.584 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.466 -2.095 0.149 1.00 0.98 C ATOM 0 H VAL A 25 -0.284 -4.484 -2.022 1.00 0.29 H new ATOM 0 HA VAL A 25 -0.370 -2.335 -0.073 1.00 0.31 H new ATOM 0 HB VAL A 25 1.238 -3.594 1.052 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.143 -4.718 -0.006 1.00 1.08 H new ATOM 0 HG12 VAL A 25 1.583 -5.345 -0.592 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.533 -4.233 -1.606 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.361 -2.374 0.705 1.00 0.98 H new ATOM 0 HG22 VAL A 25 2.748 -1.767 -0.851 1.00 0.98 H new ATOM 0 HG23 VAL A 25 1.955 -1.283 0.667 1.00 0.98 H new ATOM 86 N LEU A 26 0.358 -0.794 -1.823 1.00 0.34 N ATOM 87 CA LEU A 26 0.677 0.172 -2.846 1.00 0.35 C ATOM 88 C LEU A 26 1.926 0.932 -2.452 1.00 0.34 C ATOM 89 O LEU A 26 2.287 0.982 -1.274 1.00 0.36 O ATOM 90 CB LEU A 26 -0.462 1.171 -3.027 1.00 0.40 C ATOM 91 CG LEU A 26 -1.760 0.634 -3.642 1.00 0.44 C ATOM 92 CD1 LEU A 26 -2.512 -0.264 -2.678 1.00 1.18 C ATOM 93 CD2 LEU A 26 -2.644 1.786 -4.068 1.00 1.09 C ATOM 0 H LEU A 26 -0.079 -0.390 -0.995 1.00 0.34 H new ATOM 0 HA LEU A 26 0.834 -0.364 -3.782 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -0.699 1.597 -2.052 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.102 1.988 -3.653 1.00 0.40 H new ATOM 0 HG LEU A 26 -1.491 0.035 -4.512 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -3.425 -0.623 -3.152 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.885 -1.114 -2.408 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -2.767 0.299 -1.780 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -3.564 1.397 -4.504 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -2.885 2.400 -3.200 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -2.120 2.392 -4.807 1.00 1.09 H new ATOM 105 N ILE A 27 2.574 1.537 -3.424 1.00 0.34 N ATOM 106 CA ILE A 27 3.745 2.344 -3.155 1.00 0.32 C ATOM 107 C ILE A 27 3.769 3.576 -4.047 1.00 0.30 C ATOM 108 O ILE A 27 3.766 3.471 -5.275 1.00 0.36 O ATOM 109 CB ILE A 27 5.050 1.532 -3.344 1.00 0.33 C ATOM 110 CG1 ILE A 27 6.278 2.445 -3.220 1.00 0.33 C ATOM 111 CG2 ILE A 27 5.047 0.812 -4.688 1.00 0.35 C ATOM 112 CD1 ILE A 27 7.599 1.709 -3.288 1.00 0.55 C ATOM 0 H ILE A 27 2.310 1.486 -4.408 1.00 0.34 H new ATOM 0 HA ILE A 27 3.687 2.661 -2.114 1.00 0.32 H new ATOM 0 HB ILE A 27 5.102 0.781 -2.556 1.00 0.33 H new ATOM 0 HG12 ILE A 27 6.247 3.190 -4.015 1.00 0.33 H new ATOM 0 HG13 ILE A 27 6.223 2.986 -2.275 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.973 0.248 -4.800 1.00 0.35 H new ATOM 0 HG22 ILE A 27 4.198 0.130 -4.733 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.968 1.543 -5.492 1.00 0.35 H new ATOM 0 HD11 ILE A 27 8.418 2.422 -3.193 1.00 0.55 H new ATOM 0 HD12 ILE A 27 7.654 0.984 -2.476 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.678 1.191 -4.244 1.00 0.55 H new ATOM 124 N LEU A 28 3.760 4.746 -3.432 1.00 0.30 N ATOM 125 CA LEU A 28 4.003 5.957 -4.174 1.00 0.36 C ATOM 126 C LEU A 28 5.250 6.618 -3.614 1.00 0.38 C ATOM 127 O LEU A 28 5.185 7.580 -2.849 1.00 0.41 O ATOM 128 CB LEU A 28 2.805 6.897 -4.037 1.00 0.46 C ATOM 129 CG LEU A 28 2.532 7.785 -5.245 1.00 0.62 C ATOM 130 CD1 LEU A 28 2.022 6.943 -6.400 1.00 1.24 C ATOM 131 CD2 LEU A 28 1.532 8.871 -4.895 1.00 1.18 C ATOM 0 H LEU A 28 3.589 4.876 -2.435 1.00 0.30 H new ATOM 0 HA LEU A 28 4.145 5.729 -5.230 1.00 0.36 H new ATOM 0 HB2 LEU A 28 1.916 6.299 -3.838 1.00 0.46 H new ATOM 0 HB3 LEU A 28 2.962 7.534 -3.167 1.00 0.46 H new ATOM 0 HG LEU A 28 3.463 8.266 -5.544 1.00 0.62 H new ATOM 0 HD11 LEU A 28 1.829 7.584 -7.260 1.00 1.24 H new ATOM 0 HD12 LEU A 28 2.771 6.197 -6.665 1.00 1.24 H new ATOM 0 HD13 LEU A 28 1.099 6.443 -6.106 1.00 1.24 H new ATOM 0 HD21 LEU A 28 1.350 9.494 -5.771 1.00 1.18 H new ATOM 0 HD22 LEU A 28 0.596 8.414 -4.575 1.00 1.18 H new ATOM 0 HD23 LEU A 28 1.930 9.486 -4.088 1.00 1.18 H new ATOM 143 N SER A 29 6.382 6.065 -4.000 1.00 0.44 N ATOM 144 CA SER A 29 7.680 6.636 -3.718 1.00 0.56 C ATOM 145 C SER A 29 8.598 6.251 -4.860 1.00 0.68 C ATOM 146 O SER A 29 9.241 5.201 -4.798 1.00 1.05 O ATOM 147 CB SER A 29 8.233 6.093 -2.398 1.00 0.61 C ATOM 148 OG SER A 29 9.223 6.958 -1.863 1.00 1.27 O ATOM 0 H SER A 29 6.425 5.193 -4.527 1.00 0.44 H new ATOM 0 HA SER A 29 7.605 7.719 -3.625 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.421 5.977 -1.680 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.660 5.103 -2.559 1.00 0.61 H new ATOM 0 HG SER A 29 9.014 7.884 -2.105 1.00 1.27 H new ATOM 154 N ASN A 30 8.665 7.041 -5.911 1.00 0.60 N ATOM 155 CA ASN A 30 9.359 6.559 -7.084 1.00 0.67 C ATOM 156 C ASN A 30 10.849 6.829 -6.985 1.00 0.64 C ATOM 157 O ASN A 30 11.346 7.869 -7.412 1.00 0.68 O ATOM 158 CB ASN A 30 8.780 7.198 -8.350 1.00 0.79 C ATOM 159 CG ASN A 30 7.277 7.006 -8.458 1.00 1.85 C ATOM 160 OD1 ASN A 30 6.500 7.857 -8.025 1.00 2.75 O ATOM 161 ND2 ASN A 30 6.855 5.889 -9.029 1.00 2.45 N ATOM 0 H ASN A 30 8.267 7.978 -5.979 1.00 0.60 H new ATOM 0 HA ASN A 30 9.215 5.480 -7.142 1.00 0.67 H new ATOM 0 HB2 ASN A 30 9.009 8.264 -8.354 1.00 0.79 H new ATOM 0 HB3 ASN A 30 9.263 6.765 -9.226 1.00 0.79 H new ATOM 0 HD21 ASN A 30 5.855 5.710 -9.122 1.00 2.45 H new ATOM 0 HD22 ASN A 30 7.530 5.207 -9.376 1.00 2.45 H new ATOM 168 N ASP A 31 11.548 5.866 -6.402 1.00 0.63 N ATOM 169 CA ASP A 31 12.990 5.742 -6.529 1.00 0.67 C ATOM 170 C ASP A 31 13.293 4.421 -7.219 1.00 0.72 C ATOM 171 O ASP A 31 12.641 3.421 -6.912 1.00 0.81 O ATOM 172 CB ASP A 31 13.697 5.822 -5.170 1.00 0.72 C ATOM 173 CG ASP A 31 15.185 5.538 -5.275 1.00 0.92 C ATOM 174 OD1 ASP A 31 15.985 6.496 -5.322 1.00 1.45 O ATOM 175 OD2 ASP A 31 15.564 4.353 -5.335 1.00 1.57 O ATOM 0 H ASP A 31 11.124 5.142 -5.822 1.00 0.63 H new ATOM 0 HA ASP A 31 13.369 6.575 -7.121 1.00 0.67 H new ATOM 0 HB2 ASP A 31 13.548 6.814 -4.744 1.00 0.72 H new ATOM 0 HB3 ASP A 31 13.241 5.109 -4.484 1.00 0.72 H new ATOM 180 N LYS A 32 14.242 4.398 -8.132 1.00 0.78 N ATOM 181 CA LYS A 32 14.474 3.209 -8.948 1.00 0.82 C ATOM 182 C LYS A 32 14.707 1.951 -8.101 1.00 0.79 C ATOM 183 O LYS A 32 14.078 0.914 -8.342 1.00 0.81 O ATOM 184 CB LYS A 32 15.651 3.439 -9.892 1.00 0.99 C ATOM 185 CG LYS A 32 15.450 4.603 -10.850 1.00 1.10 C ATOM 186 CD LYS A 32 14.230 4.400 -11.734 1.00 1.61 C ATOM 187 CE LYS A 32 14.074 5.527 -12.743 1.00 2.22 C ATOM 188 NZ LYS A 32 15.202 5.568 -13.711 1.00 2.93 N ATOM 0 H LYS A 32 14.865 5.180 -8.332 1.00 0.78 H new ATOM 0 HA LYS A 32 13.569 3.037 -9.531 1.00 0.82 H new ATOM 0 HB2 LYS A 32 16.549 3.618 -9.301 1.00 0.99 H new ATOM 0 HB3 LYS A 32 15.825 2.531 -10.469 1.00 0.99 H new ATOM 0 HG2 LYS A 32 15.338 5.527 -10.282 1.00 1.10 H new ATOM 0 HG3 LYS A 32 16.336 4.718 -11.474 1.00 1.10 H new ATOM 0 HD2 LYS A 32 14.316 3.449 -12.260 1.00 1.61 H new ATOM 0 HD3 LYS A 32 13.336 4.341 -11.113 1.00 1.61 H new ATOM 0 HE2 LYS A 32 13.136 5.402 -13.284 1.00 2.22 H new ATOM 0 HE3 LYS A 32 14.013 6.479 -12.216 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 14.957 6.195 -14.504 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 16.054 5.928 -13.236 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 15.385 4.610 -14.071 1.00 2.93 H new ATOM 202 N LYS A 33 15.569 2.045 -7.091 1.00 0.84 N ATOM 203 CA LYS A 33 15.911 0.878 -6.280 1.00 0.86 C ATOM 204 C LYS A 33 14.807 0.583 -5.267 1.00 0.74 C ATOM 205 O LYS A 33 14.569 -0.568 -4.910 1.00 0.70 O ATOM 206 CB LYS A 33 17.254 1.075 -5.558 1.00 1.02 C ATOM 207 CG LYS A 33 17.195 2.051 -4.393 1.00 1.56 C ATOM 208 CD LYS A 33 18.543 2.212 -3.713 1.00 2.24 C ATOM 209 CE LYS A 33 18.437 3.123 -2.499 1.00 2.94 C ATOM 210 NZ LYS A 33 19.752 3.336 -1.842 1.00 3.44 N ATOM 0 H LYS A 33 16.039 2.907 -6.816 1.00 0.84 H new ATOM 0 HA LYS A 33 16.008 0.025 -6.952 1.00 0.86 H new ATOM 0 HB2 LYS A 33 17.603 0.109 -5.192 1.00 1.02 H new ATOM 0 HB3 LYS A 33 17.993 1.429 -6.277 1.00 1.02 H new ATOM 0 HG2 LYS A 33 16.852 3.022 -4.751 1.00 1.56 H new ATOM 0 HG3 LYS A 33 16.462 1.702 -3.666 1.00 1.56 H new ATOM 0 HD2 LYS A 33 18.919 1.236 -3.407 1.00 2.24 H new ATOM 0 HD3 LYS A 33 19.264 2.624 -4.419 1.00 2.24 H new ATOM 0 HE2 LYS A 33 18.025 4.085 -2.803 1.00 2.94 H new ATOM 0 HE3 LYS A 33 17.740 2.690 -1.782 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 19.632 3.962 -1.020 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 20.135 2.422 -1.527 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 20.411 3.773 -2.518 1.00 3.44 H new ATOM 224 N LEU A 34 14.127 1.629 -4.816 1.00 0.72 N ATOM 225 CA LEU A 34 13.050 1.486 -3.843 1.00 0.64 C ATOM 226 C LEU A 34 11.875 0.726 -4.450 1.00 0.58 C ATOM 227 O LEU A 34 11.299 -0.156 -3.816 1.00 0.62 O ATOM 228 CB LEU A 34 12.611 2.872 -3.354 1.00 0.63 C ATOM 229 CG LEU A 34 11.376 2.929 -2.445 1.00 0.69 C ATOM 230 CD1 LEU A 34 11.435 1.885 -1.344 1.00 1.37 C ATOM 231 CD2 LEU A 34 11.244 4.317 -1.840 1.00 1.46 C ATOM 0 H LEU A 34 14.303 2.590 -5.109 1.00 0.72 H new ATOM 0 HA LEU A 34 13.413 0.911 -2.991 1.00 0.64 H new ATOM 0 HB2 LEU A 34 13.447 3.323 -2.819 1.00 0.63 H new ATOM 0 HB3 LEU A 34 12.418 3.494 -4.228 1.00 0.63 H new ATOM 0 HG LEU A 34 10.502 2.711 -3.058 1.00 0.69 H new ATOM 0 HD11 LEU A 34 10.542 1.960 -0.723 1.00 1.37 H new ATOM 0 HD12 LEU A 34 11.486 0.891 -1.788 1.00 1.37 H new ATOM 0 HD13 LEU A 34 12.319 2.054 -0.729 1.00 1.37 H new ATOM 0 HD21 LEU A 34 10.365 4.351 -1.196 1.00 1.46 H new ATOM 0 HD22 LEU A 34 12.134 4.544 -1.253 1.00 1.46 H new ATOM 0 HD23 LEU A 34 11.138 5.053 -2.637 1.00 1.46 H new ATOM 243 N ILE A 35 11.548 1.058 -5.690 1.00 0.54 N ATOM 244 CA ILE A 35 10.433 0.435 -6.386 1.00 0.52 C ATOM 245 C ILE A 35 10.631 -1.076 -6.527 1.00 0.55 C ATOM 246 O ILE A 35 9.691 -1.857 -6.342 1.00 0.58 O ATOM 247 CB ILE A 35 10.220 1.094 -7.767 1.00 0.56 C ATOM 248 CG1 ILE A 35 9.652 2.503 -7.574 1.00 0.57 C ATOM 249 CG2 ILE A 35 9.305 0.257 -8.654 1.00 0.61 C ATOM 250 CD1 ILE A 35 9.392 3.245 -8.864 1.00 0.69 C ATOM 0 H ILE A 35 12.044 1.761 -6.238 1.00 0.54 H new ATOM 0 HA ILE A 35 9.537 0.592 -5.786 1.00 0.52 H new ATOM 0 HB ILE A 35 11.183 1.158 -8.273 1.00 0.56 H new ATOM 0 HG12 ILE A 35 8.720 2.434 -7.013 1.00 0.57 H new ATOM 0 HG13 ILE A 35 10.347 3.083 -6.967 1.00 0.57 H new ATOM 0 HG21 ILE A 35 9.179 0.752 -9.617 1.00 0.61 H new ATOM 0 HG22 ILE A 35 9.748 -0.727 -8.808 1.00 0.61 H new ATOM 0 HG23 ILE A 35 8.333 0.146 -8.173 1.00 0.61 H new ATOM 0 HD11 ILE A 35 8.991 4.234 -8.641 1.00 0.69 H new ATOM 0 HD12 ILE A 35 10.325 3.349 -9.419 1.00 0.69 H new ATOM 0 HD13 ILE A 35 8.672 2.689 -9.465 1.00 0.69 H new ATOM 262 N GLU A 36 11.853 -1.497 -6.823 1.00 0.59 N ATOM 263 CA GLU A 36 12.129 -2.917 -6.962 1.00 0.66 C ATOM 264 C GLU A 36 12.234 -3.594 -5.600 1.00 0.62 C ATOM 265 O GLU A 36 11.659 -4.660 -5.394 1.00 0.62 O ATOM 266 CB GLU A 36 13.395 -3.171 -7.787 1.00 0.79 C ATOM 267 CG GLU A 36 14.630 -2.439 -7.303 1.00 0.76 C ATOM 268 CD GLU A 36 15.884 -2.914 -8.002 1.00 1.34 C ATOM 269 OE1 GLU A 36 16.442 -3.952 -7.584 1.00 2.15 O ATOM 270 OE2 GLU A 36 16.316 -2.267 -8.977 1.00 1.87 O ATOM 0 H GLU A 36 12.656 -0.886 -6.969 1.00 0.59 H new ATOM 0 HA GLU A 36 11.288 -3.355 -7.499 1.00 0.66 H new ATOM 0 HB2 GLU A 36 13.602 -4.241 -7.788 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.201 -2.883 -8.820 1.00 0.79 H new ATOM 0 HG2 GLU A 36 14.505 -1.369 -7.470 1.00 0.76 H new ATOM 0 HG3 GLU A 36 14.738 -2.583 -6.228 1.00 0.76 H new ATOM 277 N GLU A 37 12.946 -2.965 -4.667 1.00 0.62 N ATOM 278 CA GLU A 37 13.175 -3.553 -3.349 1.00 0.65 C ATOM 279 C GLU A 37 11.883 -3.683 -2.551 1.00 0.56 C ATOM 280 O GLU A 37 11.742 -4.595 -1.734 1.00 0.57 O ATOM 281 CB GLU A 37 14.205 -2.741 -2.568 1.00 0.73 C ATOM 282 CG GLU A 37 15.623 -2.941 -3.069 1.00 0.85 C ATOM 283 CD GLU A 37 16.111 -4.361 -2.866 1.00 1.30 C ATOM 284 OE1 GLU A 37 16.188 -5.117 -3.856 1.00 2.05 O ATOM 285 OE2 GLU A 37 16.418 -4.732 -1.713 1.00 1.84 O ATOM 0 H GLU A 37 13.374 -2.049 -4.799 1.00 0.62 H new ATOM 0 HA GLU A 37 13.565 -4.558 -3.507 1.00 0.65 H new ATOM 0 HB2 GLU A 37 13.949 -1.683 -2.631 1.00 0.73 H new ATOM 0 HB3 GLU A 37 14.155 -3.018 -1.515 1.00 0.73 H new ATOM 0 HG2 GLU A 37 15.670 -2.691 -4.129 1.00 0.85 H new ATOM 0 HG3 GLU A 37 16.290 -2.253 -2.550 1.00 0.85 H new ATOM 292 N ALA A 38 10.944 -2.779 -2.790 1.00 0.51 N ATOM 293 CA ALA A 38 9.634 -2.874 -2.166 1.00 0.46 C ATOM 294 C ALA A 38 8.942 -4.160 -2.600 1.00 0.42 C ATOM 295 O ALA A 38 8.314 -4.846 -1.791 1.00 0.43 O ATOM 296 CB ALA A 38 8.782 -1.664 -2.515 1.00 0.50 C ATOM 0 H ALA A 38 11.064 -1.976 -3.408 1.00 0.51 H new ATOM 0 HA ALA A 38 9.764 -2.894 -1.084 1.00 0.46 H new ATOM 0 HB1 ALA A 38 7.806 -1.756 -2.038 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.275 -0.758 -2.162 1.00 0.50 H new ATOM 0 HB3 ALA A 38 8.653 -1.609 -3.596 1.00 0.50 H new ATOM 302 N ARG A 39 9.078 -4.499 -3.879 1.00 0.43 N ATOM 303 CA ARG A 39 8.503 -5.732 -4.384 1.00 0.45 C ATOM 304 C ARG A 39 9.315 -6.933 -3.921 1.00 0.45 C ATOM 305 O ARG A 39 8.751 -7.981 -3.655 1.00 0.49 O ATOM 306 CB ARG A 39 8.385 -5.721 -5.908 1.00 0.53 C ATOM 307 CG ARG A 39 7.699 -6.965 -6.458 1.00 0.60 C ATOM 308 CD ARG A 39 7.326 -6.807 -7.922 1.00 0.77 C ATOM 309 NE ARG A 39 8.497 -6.788 -8.796 1.00 1.46 N ATOM 310 CZ ARG A 39 8.435 -6.953 -10.116 1.00 1.90 C ATOM 311 NH1 ARG A 39 7.263 -7.153 -10.705 1.00 1.82 N ATOM 312 NH2 ARG A 39 9.543 -6.915 -10.847 1.00 2.96 N ATOM 0 H ARG A 39 9.576 -3.942 -4.574 1.00 0.43 H new ATOM 0 HA ARG A 39 7.495 -5.812 -3.976 1.00 0.45 H new ATOM 0 HB2 ARG A 39 7.827 -4.837 -6.218 1.00 0.53 H new ATOM 0 HB3 ARG A 39 9.381 -5.638 -6.344 1.00 0.53 H new ATOM 0 HG2 ARG A 39 8.359 -7.824 -6.343 1.00 0.60 H new ATOM 0 HG3 ARG A 39 6.801 -7.172 -5.875 1.00 0.60 H new ATOM 0 HD2 ARG A 39 6.669 -7.625 -8.217 1.00 0.77 H new ATOM 0 HD3 ARG A 39 6.763 -5.883 -8.053 1.00 0.77 H new ATOM 0 HE ARG A 39 9.413 -6.640 -8.371 1.00 1.46 H new ATOM 0 HH11 ARG A 39 6.410 -7.180 -10.147 1.00 1.82 H new ATOM 0 HH12 ARG A 39 7.215 -7.279 -11.716 1.00 1.82 H new ATOM 0 HH21 ARG A 39 10.445 -6.759 -10.398 1.00 2.96 H new ATOM 0 HH22 ARG A 39 9.492 -7.042 -11.858 1.00 2.96 H new ATOM 326 N LYS A 40 10.634 -6.781 -3.808 1.00 0.49 N ATOM 327 CA LYS A 40 11.479 -7.861 -3.289 1.00 0.55 C ATOM 328 C LYS A 40 10.929 -8.334 -1.950 1.00 0.49 C ATOM 329 O LYS A 40 10.847 -9.532 -1.674 1.00 0.54 O ATOM 330 CB LYS A 40 12.925 -7.395 -3.081 1.00 0.70 C ATOM 331 CG LYS A 40 13.539 -6.664 -4.261 1.00 0.85 C ATOM 332 CD LYS A 40 13.739 -7.556 -5.464 1.00 1.27 C ATOM 333 CE LYS A 40 14.385 -6.789 -6.610 1.00 1.34 C ATOM 334 NZ LYS A 40 15.719 -6.237 -6.240 1.00 1.88 N ATOM 0 H LYS A 40 11.138 -5.932 -4.065 1.00 0.49 H new ATOM 0 HA LYS A 40 11.473 -8.669 -4.021 1.00 0.55 H new ATOM 0 HB2 LYS A 40 12.958 -6.740 -2.210 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.541 -8.264 -2.850 1.00 0.70 H new ATOM 0 HG2 LYS A 40 12.898 -5.827 -4.538 1.00 0.85 H new ATOM 0 HG3 LYS A 40 14.499 -6.244 -3.962 1.00 0.85 H new ATOM 0 HD2 LYS A 40 14.365 -8.405 -5.191 1.00 1.27 H new ATOM 0 HD3 LYS A 40 12.779 -7.958 -5.787 1.00 1.27 H new ATOM 0 HE2 LYS A 40 14.493 -7.449 -7.471 1.00 1.34 H new ATOM 0 HE3 LYS A 40 13.729 -5.974 -6.914 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 16.082 -5.653 -7.020 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 15.628 -5.653 -5.384 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 16.380 -7.019 -6.057 1.00 1.88 H new ATOM 348 N MET A 41 10.542 -7.364 -1.134 1.00 0.45 N ATOM 349 CA MET A 41 10.024 -7.613 0.190 1.00 0.46 C ATOM 350 C MET A 41 8.617 -8.212 0.138 1.00 0.41 C ATOM 351 O MET A 41 8.362 -9.265 0.721 1.00 0.46 O ATOM 352 CB MET A 41 10.010 -6.288 0.947 1.00 0.57 C ATOM 353 CG MET A 41 9.903 -6.431 2.444 1.00 0.89 C ATOM 354 SD MET A 41 11.320 -7.288 3.157 1.00 1.10 S ATOM 355 CE MET A 41 10.869 -7.286 4.887 1.00 1.68 C ATOM 0 H MET A 41 10.582 -6.375 -1.381 1.00 0.45 H new ATOM 0 HA MET A 41 10.660 -8.338 0.698 1.00 0.46 H new ATOM 0 HB2 MET A 41 10.921 -5.738 0.710 1.00 0.57 H new ATOM 0 HB3 MET A 41 9.173 -5.688 0.590 1.00 0.57 H new ATOM 0 HG2 MET A 41 9.815 -5.443 2.895 1.00 0.89 H new ATOM 0 HG3 MET A 41 8.991 -6.976 2.690 1.00 0.89 H new ATOM 0 HE1 MET A 41 11.182 -8.224 5.346 1.00 1.68 H new ATOM 0 HE2 MET A 41 11.361 -6.454 5.390 1.00 1.68 H new ATOM 0 HE3 MET A 41 9.788 -7.179 4.981 1.00 1.68 H new ATOM 365 N ALA A 42 7.716 -7.554 -0.588 1.00 0.37 N ATOM 366 CA ALA A 42 6.303 -7.929 -0.596 1.00 0.39 C ATOM 367 C ALA A 42 6.027 -9.158 -1.456 1.00 0.42 C ATOM 368 O ALA A 42 5.190 -9.984 -1.101 1.00 0.49 O ATOM 369 CB ALA A 42 5.459 -6.762 -1.072 1.00 0.43 C ATOM 0 H ALA A 42 7.940 -6.755 -1.181 1.00 0.37 H new ATOM 0 HA ALA A 42 6.034 -8.187 0.428 1.00 0.39 H new ATOM 0 HB1 ALA A 42 4.408 -7.050 -1.075 1.00 0.43 H new ATOM 0 HB2 ALA A 42 5.601 -5.914 -0.403 1.00 0.43 H new ATOM 0 HB3 ALA A 42 5.761 -6.482 -2.081 1.00 0.43 H new ATOM 375 N GLU A 43 6.723 -9.284 -2.580 1.00 0.45 N ATOM 376 CA GLU A 43 6.518 -10.418 -3.475 1.00 0.59 C ATOM 377 C GLU A 43 6.894 -11.708 -2.758 1.00 0.63 C ATOM 378 O GLU A 43 6.149 -12.688 -2.773 1.00 0.75 O ATOM 379 CB GLU A 43 7.350 -10.265 -4.751 1.00 0.71 C ATOM 380 CG GLU A 43 6.993 -11.261 -5.842 1.00 0.87 C ATOM 381 CD GLU A 43 5.564 -11.111 -6.316 1.00 1.66 C ATOM 382 OE1 GLU A 43 4.701 -11.897 -5.877 1.00 2.36 O ATOM 383 OE2 GLU A 43 5.294 -10.212 -7.136 1.00 2.41 O ATOM 0 H GLU A 43 7.431 -8.619 -2.893 1.00 0.45 H new ATOM 0 HA GLU A 43 5.466 -10.452 -3.758 1.00 0.59 H new ATOM 0 HB2 GLU A 43 7.220 -9.255 -5.139 1.00 0.71 H new ATOM 0 HB3 GLU A 43 8.405 -10.378 -4.501 1.00 0.71 H new ATOM 0 HG2 GLU A 43 7.669 -11.128 -6.687 1.00 0.87 H new ATOM 0 HG3 GLU A 43 7.145 -12.274 -5.469 1.00 0.87 H new ATOM 390 N LYS A 44 8.049 -11.682 -2.102 1.00 0.60 N ATOM 391 CA LYS A 44 8.514 -12.809 -1.308 1.00 0.70 C ATOM 392 C LYS A 44 7.591 -13.029 -0.111 1.00 0.66 C ATOM 393 O LYS A 44 7.421 -14.152 0.363 1.00 0.75 O ATOM 394 CB LYS A 44 9.960 -12.560 -0.855 1.00 0.81 C ATOM 395 CG LYS A 44 10.526 -13.615 0.088 1.00 1.39 C ATOM 396 CD LYS A 44 10.362 -13.206 1.544 1.00 2.35 C ATOM 397 CE LYS A 44 10.884 -14.274 2.487 1.00 3.19 C ATOM 398 NZ LYS A 44 10.852 -13.822 3.901 1.00 3.63 N ATOM 0 H LYS A 44 8.684 -10.884 -2.106 1.00 0.60 H new ATOM 0 HA LYS A 44 8.494 -13.713 -1.916 1.00 0.70 H new ATOM 0 HB2 LYS A 44 10.597 -12.502 -1.737 1.00 0.81 H new ATOM 0 HB3 LYS A 44 10.009 -11.589 -0.362 1.00 0.81 H new ATOM 0 HG2 LYS A 44 10.021 -14.566 -0.083 1.00 1.39 H new ATOM 0 HG3 LYS A 44 11.582 -13.771 -0.131 1.00 1.39 H new ATOM 0 HD2 LYS A 44 10.894 -12.271 1.722 1.00 2.35 H new ATOM 0 HD3 LYS A 44 9.309 -13.018 1.753 1.00 2.35 H new ATOM 0 HE2 LYS A 44 10.284 -15.178 2.380 1.00 3.19 H new ATOM 0 HE3 LYS A 44 11.906 -14.535 2.211 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 11.216 -14.578 4.515 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 11.444 -12.974 4.008 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 9.873 -13.597 4.172 1.00 3.63 H new ATOM 412 N ALA A 45 6.976 -11.951 0.354 1.00 0.57 N ATOM 413 CA ALA A 45 6.056 -12.021 1.478 1.00 0.59 C ATOM 414 C ALA A 45 4.676 -12.488 1.030 1.00 0.59 C ATOM 415 O ALA A 45 3.762 -12.615 1.844 1.00 0.66 O ATOM 416 CB ALA A 45 5.961 -10.674 2.170 1.00 0.56 C ATOM 0 H ALA A 45 7.099 -11.015 -0.032 1.00 0.57 H new ATOM 0 HA ALA A 45 6.445 -12.752 2.187 1.00 0.59 H new ATOM 0 HB1 ALA A 45 5.268 -10.744 3.009 1.00 0.56 H new ATOM 0 HB2 ALA A 45 6.946 -10.383 2.536 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.601 -9.926 1.463 1.00 0.56 H new ATOM 422 N ASN A 46 4.545 -12.740 -0.273 1.00 0.56 N ATOM 423 CA ASN A 46 3.305 -13.240 -0.870 1.00 0.60 C ATOM 424 C ASN A 46 2.199 -12.196 -0.801 1.00 0.54 C ATOM 425 O ASN A 46 1.021 -12.522 -0.641 1.00 0.63 O ATOM 426 CB ASN A 46 2.854 -14.546 -0.204 1.00 0.76 C ATOM 427 CG ASN A 46 3.861 -15.669 -0.373 1.00 1.41 C ATOM 428 OD1 ASN A 46 4.563 -15.751 -1.385 1.00 2.03 O ATOM 429 ND2 ASN A 46 3.941 -16.543 0.617 1.00 2.18 N ATOM 0 H ASN A 46 5.298 -12.603 -0.947 1.00 0.56 H new ATOM 0 HA ASN A 46 3.510 -13.448 -1.920 1.00 0.60 H new ATOM 0 HB2 ASN A 46 2.689 -14.369 0.859 1.00 0.76 H new ATOM 0 HB3 ASN A 46 1.898 -14.854 -0.628 1.00 0.76 H new ATOM 0 HD21 ASN A 46 4.600 -17.319 0.560 1.00 2.18 H new ATOM 0 HD22 ASN A 46 3.343 -16.441 1.437 1.00 2.18 H new ATOM 436 N LEU A 47 2.587 -10.938 -0.924 1.00 0.44 N ATOM 437 CA LEU A 47 1.627 -9.849 -0.963 1.00 0.42 C ATOM 438 C LEU A 47 1.454 -9.394 -2.402 1.00 0.41 C ATOM 439 O LEU A 47 2.253 -9.745 -3.272 1.00 0.58 O ATOM 440 CB LEU A 47 2.100 -8.655 -0.132 1.00 0.43 C ATOM 441 CG LEU A 47 2.831 -8.974 1.172 1.00 0.45 C ATOM 442 CD1 LEU A 47 3.174 -7.689 1.898 1.00 0.47 C ATOM 443 CD2 LEU A 47 2.002 -9.876 2.066 1.00 0.59 C ATOM 0 H LEU A 47 3.561 -10.646 -0.999 1.00 0.44 H new ATOM 0 HA LEU A 47 0.686 -10.212 -0.549 1.00 0.42 H new ATOM 0 HB2 LEU A 47 2.760 -8.048 -0.752 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.232 -8.040 0.106 1.00 0.43 H new ATOM 0 HG LEU A 47 3.750 -9.506 0.924 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.695 -7.923 2.826 1.00 0.47 H new ATOM 0 HD12 LEU A 47 3.816 -7.075 1.267 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.258 -7.143 2.124 1.00 0.47 H new ATOM 0 HD21 LEU A 47 2.552 -10.083 2.984 1.00 0.59 H new ATOM 0 HD22 LEU A 47 1.061 -9.382 2.309 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.796 -10.813 1.548 1.00 0.59 H new ATOM 455 N ILE A 48 0.419 -8.614 -2.653 1.00 0.30 N ATOM 456 CA ILE A 48 0.224 -8.029 -3.964 1.00 0.32 C ATOM 457 C ILE A 48 0.734 -6.591 -3.968 1.00 0.32 C ATOM 458 O ILE A 48 0.044 -5.667 -3.527 1.00 0.33 O ATOM 459 CB ILE A 48 -1.258 -8.084 -4.399 1.00 0.36 C ATOM 460 CG1 ILE A 48 -1.718 -9.544 -4.471 1.00 0.40 C ATOM 461 CG2 ILE A 48 -1.450 -7.391 -5.744 1.00 0.43 C ATOM 462 CD1 ILE A 48 -3.165 -9.719 -4.877 1.00 0.53 C ATOM 0 H ILE A 48 -0.297 -8.372 -1.968 1.00 0.30 H new ATOM 0 HA ILE A 48 0.794 -8.614 -4.686 1.00 0.32 H new ATOM 0 HB ILE A 48 -1.864 -7.557 -3.662 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -1.086 -10.078 -5.181 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.567 -10.009 -3.497 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -2.500 -7.441 -6.032 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.145 -6.348 -5.663 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -0.842 -7.889 -6.500 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -3.410 -10.781 -4.904 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -3.809 -9.216 -4.155 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -3.321 -9.286 -5.865 1.00 0.53 H new ATOM 474 N LEU A 49 1.964 -6.425 -4.435 1.00 0.34 N ATOM 475 CA LEU A 49 2.608 -5.122 -4.490 1.00 0.35 C ATOM 476 C LEU A 49 2.244 -4.429 -5.799 1.00 0.35 C ATOM 477 O LEU A 49 2.466 -4.971 -6.884 1.00 0.44 O ATOM 478 CB LEU A 49 4.135 -5.305 -4.353 1.00 0.44 C ATOM 479 CG LEU A 49 4.991 -4.037 -4.157 1.00 0.58 C ATOM 480 CD1 LEU A 49 5.129 -3.252 -5.448 1.00 0.90 C ATOM 481 CD2 LEU A 49 4.417 -3.152 -3.063 1.00 1.14 C ATOM 0 H LEU A 49 2.542 -7.189 -4.786 1.00 0.34 H new ATOM 0 HA LEU A 49 2.263 -4.494 -3.669 1.00 0.35 H new ATOM 0 HB2 LEU A 49 4.319 -5.969 -3.508 1.00 0.44 H new ATOM 0 HB3 LEU A 49 4.493 -5.818 -5.246 1.00 0.44 H new ATOM 0 HG LEU A 49 5.985 -4.365 -3.852 1.00 0.58 H new ATOM 0 HD11 LEU A 49 5.738 -2.366 -5.271 1.00 0.90 H new ATOM 0 HD12 LEU A 49 5.606 -3.876 -6.204 1.00 0.90 H new ATOM 0 HD13 LEU A 49 4.142 -2.950 -5.797 1.00 0.90 H new ATOM 0 HD21 LEU A 49 5.041 -2.266 -2.947 1.00 1.14 H new ATOM 0 HD22 LEU A 49 3.405 -2.850 -3.333 1.00 1.14 H new ATOM 0 HD23 LEU A 49 4.393 -3.704 -2.124 1.00 1.14 H new ATOM 493 N ILE A 50 1.670 -3.240 -5.692 1.00 0.33 N ATOM 494 CA ILE A 50 1.266 -2.480 -6.865 1.00 0.34 C ATOM 495 C ILE A 50 2.100 -1.207 -6.993 1.00 0.32 C ATOM 496 O ILE A 50 2.028 -0.317 -6.142 1.00 0.36 O ATOM 497 CB ILE A 50 -0.232 -2.102 -6.809 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.094 -3.349 -6.571 1.00 0.48 C ATOM 499 CG2 ILE A 50 -0.646 -1.410 -8.101 1.00 0.46 C ATOM 500 CD1 ILE A 50 -2.562 -3.044 -6.361 1.00 0.94 C ATOM 0 H ILE A 50 1.473 -2.780 -4.803 1.00 0.33 H new ATOM 0 HA ILE A 50 1.432 -3.117 -7.734 1.00 0.34 H new ATOM 0 HB ILE A 50 -0.386 -1.415 -5.977 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -0.990 -4.020 -7.424 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -0.714 -3.881 -5.699 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -1.703 -1.148 -8.051 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.054 -0.505 -8.235 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -0.478 -2.081 -8.943 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -3.107 -3.974 -6.199 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -2.679 -2.399 -5.490 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -2.958 -2.540 -7.242 1.00 0.94 H new ATOM 512 N THR A 51 2.898 -1.134 -8.049 1.00 0.32 N ATOM 513 CA THR A 51 3.731 0.030 -8.302 1.00 0.35 C ATOM 514 C THR A 51 3.030 1.015 -9.233 1.00 0.38 C ATOM 515 O THR A 51 2.584 0.646 -10.322 1.00 0.55 O ATOM 516 CB THR A 51 5.079 -0.386 -8.917 1.00 0.47 C ATOM 517 OG1 THR A 51 4.874 -1.383 -9.923 1.00 1.17 O ATOM 518 CG2 THR A 51 6.020 -0.923 -7.854 1.00 0.89 C ATOM 0 H THR A 51 2.985 -1.872 -8.747 1.00 0.32 H new ATOM 0 HA THR A 51 3.910 0.518 -7.344 1.00 0.35 H new ATOM 0 HB THR A 51 5.531 0.498 -9.367 1.00 0.47 H new ATOM 0 HG1 THR A 51 4.054 -1.182 -10.420 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.965 -1.210 -8.316 1.00 0.89 H new ATOM 0 HG22 THR A 51 6.201 -0.152 -7.105 1.00 0.89 H new ATOM 0 HG23 THR A 51 5.571 -1.794 -7.377 1.00 0.89 H new ATOM 526 N VAL A 52 2.921 2.262 -8.798 1.00 0.39 N ATOM 527 CA VAL A 52 2.288 3.303 -9.596 1.00 0.49 C ATOM 528 C VAL A 52 3.128 4.572 -9.580 1.00 0.58 C ATOM 529 O VAL A 52 3.797 4.870 -8.589 1.00 0.80 O ATOM 530 CB VAL A 52 0.868 3.636 -9.077 1.00 0.59 C ATOM 531 CG1 VAL A 52 -0.126 2.555 -9.466 1.00 1.38 C ATOM 532 CG2 VAL A 52 0.879 3.822 -7.568 1.00 1.04 C ATOM 0 H VAL A 52 3.265 2.579 -7.892 1.00 0.39 H new ATOM 0 HA VAL A 52 2.209 2.922 -10.614 1.00 0.49 H new ATOM 0 HB VAL A 52 0.554 4.570 -9.543 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -1.114 2.816 -9.088 1.00 1.38 H new ATOM 0 HG12 VAL A 52 -0.164 2.469 -10.552 1.00 1.38 H new ATOM 0 HG13 VAL A 52 0.186 1.603 -9.038 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -0.128 4.055 -7.223 1.00 1.04 H new ATOM 0 HG22 VAL A 52 1.223 2.904 -7.091 1.00 1.04 H new ATOM 0 HG23 VAL A 52 1.551 4.640 -7.307 1.00 1.04 H new ATOM 542 N GLY A 53 3.115 5.310 -10.678 1.00 0.66 N ATOM 543 CA GLY A 53 3.765 6.599 -10.688 1.00 0.75 C ATOM 544 C GLY A 53 2.804 7.704 -11.058 1.00 0.81 C ATOM 545 O GLY A 53 2.598 7.972 -12.242 1.00 1.24 O ATOM 0 H GLY A 53 2.669 5.041 -11.555 1.00 0.66 H new ATOM 0 HA2 GLY A 53 4.190 6.800 -9.705 1.00 0.75 H new ATOM 0 HA3 GLY A 53 4.593 6.584 -11.397 1.00 0.75 H new ATOM 549 N ASP A 54 2.244 8.321 -10.010 1.00 0.71 N ATOM 550 CA ASP A 54 1.314 9.461 -10.067 1.00 0.82 C ATOM 551 C ASP A 54 0.250 9.239 -8.997 1.00 0.70 C ATOM 552 O ASP A 54 -0.182 8.107 -8.777 1.00 0.64 O ATOM 553 CB ASP A 54 0.621 9.619 -11.426 1.00 1.08 C ATOM 554 CG ASP A 54 -0.161 10.909 -11.522 1.00 1.34 C ATOM 555 OD1 ASP A 54 -1.334 10.930 -11.099 1.00 1.75 O ATOM 556 OD2 ASP A 54 0.392 11.909 -12.024 1.00 1.98 O ATOM 0 H ASP A 54 2.435 8.026 -9.052 1.00 0.71 H new ATOM 0 HA ASP A 54 1.891 10.371 -9.904 1.00 0.82 H new ATOM 0 HB2 ASP A 54 1.369 9.590 -12.219 1.00 1.08 H new ATOM 0 HB3 ASP A 54 -0.050 8.776 -11.590 1.00 1.08 H new ATOM 561 N GLU A 55 -0.176 10.306 -8.327 1.00 0.80 N ATOM 562 CA GLU A 55 -1.086 10.172 -7.200 1.00 0.79 C ATOM 563 C GLU A 55 -2.483 9.802 -7.665 1.00 0.69 C ATOM 564 O GLU A 55 -3.284 9.268 -6.897 1.00 0.71 O ATOM 565 CB GLU A 55 -1.156 11.462 -6.398 1.00 0.95 C ATOM 566 CG GLU A 55 -1.382 11.218 -4.919 1.00 0.90 C ATOM 567 CD GLU A 55 -1.579 12.488 -4.128 1.00 1.53 C ATOM 568 OE1 GLU A 55 -2.711 12.731 -3.664 1.00 2.16 O ATOM 569 OE2 GLU A 55 -0.607 13.248 -3.952 1.00 2.21 O ATOM 0 H GLU A 55 0.093 11.265 -8.545 1.00 0.80 H new ATOM 0 HA GLU A 55 -0.696 9.375 -6.567 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -0.229 12.020 -6.533 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -1.962 12.084 -6.787 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -2.257 10.580 -4.793 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -0.529 10.674 -4.513 1.00 0.90 H new ATOM 576 N GLU A 56 -2.778 10.098 -8.918 1.00 0.70 N ATOM 577 CA GLU A 56 -4.058 9.749 -9.491 1.00 0.70 C ATOM 578 C GLU A 56 -4.026 8.310 -9.979 1.00 0.66 C ATOM 579 O GLU A 56 -5.050 7.629 -10.000 1.00 0.67 O ATOM 580 CB GLU A 56 -4.422 10.723 -10.605 1.00 0.82 C ATOM 581 CG GLU A 56 -4.592 12.147 -10.101 1.00 0.93 C ATOM 582 CD GLU A 56 -5.707 12.270 -9.083 1.00 1.33 C ATOM 583 OE1 GLU A 56 -6.842 12.606 -9.471 1.00 2.04 O ATOM 584 OE2 GLU A 56 -5.453 12.028 -7.881 1.00 1.89 O ATOM 0 H GLU A 56 -2.145 10.580 -9.556 1.00 0.70 H new ATOM 0 HA GLU A 56 -4.834 9.826 -8.729 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -3.645 10.702 -11.370 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -5.347 10.397 -11.081 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -3.657 12.486 -9.654 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -4.799 12.806 -10.944 1.00 0.93 H new ATOM 591 N GLU A 57 -2.837 7.841 -10.343 1.00 0.65 N ATOM 592 CA GLU A 57 -2.637 6.427 -10.629 1.00 0.65 C ATOM 593 C GLU A 57 -2.758 5.619 -9.349 1.00 0.55 C ATOM 594 O GLU A 57 -3.209 4.473 -9.363 1.00 0.52 O ATOM 595 CB GLU A 57 -1.280 6.180 -11.286 1.00 0.73 C ATOM 596 CG GLU A 57 -1.361 6.006 -12.794 1.00 1.11 C ATOM 597 CD GLU A 57 -2.116 7.126 -13.474 1.00 1.52 C ATOM 598 OE1 GLU A 57 -3.330 6.969 -13.725 1.00 2.13 O ATOM 599 OE2 GLU A 57 -1.502 8.168 -13.764 1.00 2.16 O ATOM 0 H GLU A 57 -2.002 8.417 -10.446 1.00 0.65 H new ATOM 0 HA GLU A 57 -3.409 6.108 -11.330 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -0.618 7.016 -11.059 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -0.830 5.289 -10.849 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -0.352 5.953 -13.204 1.00 1.11 H new ATOM 0 HG3 GLU A 57 -1.847 5.057 -13.020 1.00 1.11 H new ATOM 606 N LEU A 58 -2.370 6.232 -8.236 1.00 0.52 N ATOM 607 CA LEU A 58 -2.535 5.609 -6.935 1.00 0.48 C ATOM 608 C LEU A 58 -4.012 5.359 -6.673 1.00 0.46 C ATOM 609 O LEU A 58 -4.386 4.306 -6.168 1.00 0.44 O ATOM 610 CB LEU A 58 -1.949 6.485 -5.823 1.00 0.52 C ATOM 611 CG LEU A 58 -1.930 5.835 -4.437 1.00 0.55 C ATOM 612 CD1 LEU A 58 -0.865 4.751 -4.371 1.00 0.83 C ATOM 613 CD2 LEU A 58 -1.703 6.874 -3.353 1.00 0.74 C ATOM 0 H LEU A 58 -1.941 7.157 -8.212 1.00 0.52 H new ATOM 0 HA LEU A 58 -1.997 4.661 -6.937 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -0.929 6.759 -6.095 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -2.523 7.410 -5.767 1.00 0.52 H new ATOM 0 HG LEU A 58 -2.903 5.375 -4.265 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -0.866 4.300 -3.379 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -1.078 3.986 -5.118 1.00 0.83 H new ATOM 0 HD13 LEU A 58 0.113 5.189 -4.569 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -1.694 6.387 -2.378 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -0.747 7.371 -3.519 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -2.505 7.612 -3.382 1.00 0.74 H new ATOM 625 N LYS A 59 -4.847 6.327 -7.057 1.00 0.52 N ATOM 626 CA LYS A 59 -6.296 6.223 -6.873 1.00 0.57 C ATOM 627 C LYS A 59 -6.836 4.976 -7.553 1.00 0.51 C ATOM 628 O LYS A 59 -7.780 4.343 -7.079 1.00 0.58 O ATOM 629 CB LYS A 59 -7.011 7.457 -7.435 1.00 0.69 C ATOM 630 CG LYS A 59 -6.492 8.792 -6.914 1.00 0.76 C ATOM 631 CD LYS A 59 -6.561 8.892 -5.400 1.00 0.97 C ATOM 632 CE LYS A 59 -6.410 10.333 -4.926 1.00 1.64 C ATOM 633 NZ LYS A 59 -5.155 10.962 -5.425 1.00 2.26 N ATOM 0 H LYS A 59 -4.543 7.195 -7.499 1.00 0.52 H new ATOM 0 HA LYS A 59 -6.487 6.160 -5.802 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -6.921 7.448 -8.521 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -8.073 7.381 -7.202 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -5.460 8.928 -7.237 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -7.074 9.601 -7.355 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -7.513 8.491 -5.051 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -5.776 8.279 -4.958 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -7.266 10.916 -5.265 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -6.418 10.358 -3.836 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -4.727 11.531 -4.667 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -4.488 10.220 -5.720 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -5.373 11.574 -6.237 1.00 2.26 H new ATOM 647 N LYS A 60 -6.205 4.627 -8.653 1.00 0.49 N ATOM 648 CA LYS A 60 -6.626 3.506 -9.468 1.00 0.48 C ATOM 649 C LYS A 60 -6.148 2.197 -8.865 1.00 0.41 C ATOM 650 O LYS A 60 -6.871 1.206 -8.861 1.00 0.41 O ATOM 651 CB LYS A 60 -6.062 3.699 -10.865 1.00 0.58 C ATOM 652 CG LYS A 60 -6.302 5.107 -11.373 1.00 0.72 C ATOM 653 CD LYS A 60 -7.730 5.298 -11.856 1.00 1.19 C ATOM 654 CE LYS A 60 -8.017 4.485 -13.110 1.00 1.91 C ATOM 655 NZ LYS A 60 -9.414 4.669 -13.578 1.00 2.35 N ATOM 0 H LYS A 60 -5.383 5.114 -9.009 1.00 0.49 H new ATOM 0 HA LYS A 60 -7.714 3.463 -9.513 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -4.992 3.491 -10.858 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -6.521 2.982 -11.546 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -6.089 5.821 -10.578 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -5.611 5.322 -12.188 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -8.423 5.005 -11.067 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -7.906 6.354 -12.059 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -7.327 4.780 -13.900 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -7.837 3.429 -12.908 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -9.571 4.100 -14.434 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -10.073 4.364 -12.833 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -9.578 5.673 -13.795 1.00 2.35 H new ATOM 669 N ALA A 61 -4.930 2.210 -8.337 1.00 0.40 N ATOM 670 CA ALA A 61 -4.367 1.042 -7.686 1.00 0.39 C ATOM 671 C ALA A 61 -5.135 0.734 -6.408 1.00 0.32 C ATOM 672 O ALA A 61 -5.331 -0.428 -6.053 1.00 0.34 O ATOM 673 CB ALA A 61 -2.894 1.268 -7.388 1.00 0.47 C ATOM 0 H ALA A 61 -4.314 3.023 -8.349 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.454 0.186 -8.355 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.482 0.385 -6.899 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.358 1.451 -8.319 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -2.784 2.131 -6.731 1.00 0.47 H new ATOM 679 N ILE A 62 -5.566 1.790 -5.726 1.00 0.31 N ATOM 680 CA ILE A 62 -6.378 1.659 -4.522 1.00 0.37 C ATOM 681 C ILE A 62 -7.684 0.934 -4.831 1.00 0.36 C ATOM 682 O ILE A 62 -8.017 -0.065 -4.191 1.00 0.38 O ATOM 683 CB ILE A 62 -6.688 3.039 -3.892 1.00 0.49 C ATOM 684 CG1 ILE A 62 -5.395 3.718 -3.441 1.00 0.45 C ATOM 685 CG2 ILE A 62 -7.644 2.895 -2.716 1.00 0.83 C ATOM 686 CD1 ILE A 62 -5.581 5.148 -2.991 1.00 0.53 C ATOM 0 H ILE A 62 -5.364 2.754 -5.990 1.00 0.31 H new ATOM 0 HA ILE A 62 -5.801 1.075 -3.805 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.167 3.660 -4.649 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -4.960 3.143 -2.623 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -4.679 3.696 -4.262 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -7.847 3.877 -2.290 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -8.577 2.448 -3.058 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -7.193 2.256 -1.957 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -4.620 5.562 -2.686 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -5.986 5.738 -3.813 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -6.272 5.177 -2.148 1.00 0.53 H new ATOM 698 N LYS A 63 -8.410 1.421 -5.832 1.00 0.37 N ATOM 699 CA LYS A 63 -9.680 0.813 -6.202 1.00 0.40 C ATOM 700 C LYS A 63 -9.456 -0.556 -6.836 1.00 0.35 C ATOM 701 O LYS A 63 -10.279 -1.456 -6.689 1.00 0.40 O ATOM 702 CB LYS A 63 -10.466 1.710 -7.158 1.00 0.49 C ATOM 703 CG LYS A 63 -11.854 1.171 -7.469 1.00 0.59 C ATOM 704 CD LYS A 63 -12.608 2.065 -8.437 1.00 1.21 C ATOM 705 CE LYS A 63 -13.940 1.450 -8.832 1.00 1.94 C ATOM 706 NZ LYS A 63 -13.767 0.169 -9.572 1.00 2.76 N ATOM 0 H LYS A 63 -8.143 2.228 -6.396 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.265 0.689 -5.291 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -10.557 2.705 -6.722 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -9.907 1.819 -8.088 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -11.768 0.170 -7.892 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -12.422 1.078 -6.544 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -12.776 3.040 -7.979 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -12.003 2.231 -9.328 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -14.537 1.274 -7.937 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -14.495 2.154 -9.452 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -14.678 -0.121 -9.982 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -13.070 0.299 -10.333 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -13.432 -0.567 -8.918 1.00 2.76 H new ATOM 720 N LYS A 64 -8.343 -0.715 -7.538 1.00 0.34 N ATOM 721 CA LYS A 64 -8.009 -1.999 -8.136 1.00 0.39 C ATOM 722 C LYS A 64 -7.774 -3.040 -7.048 1.00 0.35 C ATOM 723 O LYS A 64 -8.215 -4.179 -7.168 1.00 0.40 O ATOM 724 CB LYS A 64 -6.781 -1.883 -9.039 1.00 0.51 C ATOM 725 CG LYS A 64 -6.414 -3.186 -9.732 1.00 1.05 C ATOM 726 CD LYS A 64 -5.330 -2.991 -10.779 1.00 1.04 C ATOM 727 CE LYS A 64 -4.038 -2.472 -10.173 1.00 1.59 C ATOM 728 NZ LYS A 64 -2.984 -2.295 -11.203 1.00 2.11 N ATOM 0 H LYS A 64 -7.660 0.024 -7.707 1.00 0.34 H new ATOM 0 HA LYS A 64 -8.850 -2.317 -8.753 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -6.965 -1.118 -9.794 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -5.932 -1.545 -8.444 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -6.074 -3.908 -8.989 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -7.302 -3.608 -10.204 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -5.139 -3.938 -11.283 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -5.681 -2.291 -11.538 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -4.225 -1.520 -9.676 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -3.688 -3.167 -9.410 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -2.116 -1.940 -10.754 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -2.788 -3.208 -11.660 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -3.308 -1.613 -11.918 1.00 2.11 H new ATOM 742 N ALA A 65 -7.089 -2.636 -5.982 1.00 0.30 N ATOM 743 CA ALA A 65 -6.884 -3.507 -4.833 1.00 0.30 C ATOM 744 C ALA A 65 -8.227 -3.895 -4.228 1.00 0.33 C ATOM 745 O ALA A 65 -8.456 -5.054 -3.890 1.00 0.38 O ATOM 746 CB ALA A 65 -6.005 -2.823 -3.794 1.00 0.31 C ATOM 0 H ALA A 65 -6.668 -1.712 -5.892 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.375 -4.412 -5.165 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -5.863 -3.489 -2.943 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -5.037 -2.586 -4.235 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.486 -1.904 -3.459 1.00 0.31 H new ATOM 752 N ASP A 66 -9.109 -2.905 -4.116 1.00 0.35 N ATOM 753 CA ASP A 66 -10.487 -3.122 -3.674 1.00 0.41 C ATOM 754 C ASP A 66 -11.167 -4.175 -4.544 1.00 0.40 C ATOM 755 O ASP A 66 -11.701 -5.167 -4.042 1.00 0.47 O ATOM 756 CB ASP A 66 -11.259 -1.796 -3.752 1.00 0.48 C ATOM 757 CG ASP A 66 -12.725 -1.916 -3.373 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.539 -2.322 -4.228 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.082 -1.571 -2.229 1.00 1.36 O ATOM 0 H ASP A 66 -8.891 -1.931 -4.328 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.480 -3.480 -2.645 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -10.782 -1.069 -3.094 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.187 -1.404 -4.766 1.00 0.48 H new ATOM 764 N ASP A 67 -11.116 -3.957 -5.854 1.00 0.36 N ATOM 765 CA ASP A 67 -11.751 -4.842 -6.826 1.00 0.38 C ATOM 766 C ASP A 67 -11.171 -6.255 -6.782 1.00 0.40 C ATOM 767 O ASP A 67 -11.920 -7.234 -6.750 1.00 0.48 O ATOM 768 CB ASP A 67 -11.613 -4.267 -8.241 1.00 0.42 C ATOM 769 CG ASP A 67 -12.731 -3.304 -8.602 1.00 0.95 C ATOM 770 OD1 ASP A 67 -12.590 -2.084 -8.359 1.00 1.66 O ATOM 771 OD2 ASP A 67 -13.756 -3.763 -9.145 1.00 1.68 O ATOM 0 H ASP A 67 -10.633 -3.162 -6.273 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.806 -4.908 -6.560 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -10.656 -3.752 -8.326 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -11.600 -5.086 -8.960 1.00 0.42 H new ATOM 776 N ILE A 68 -9.844 -6.363 -6.779 1.00 0.37 N ATOM 777 CA ILE A 68 -9.185 -7.668 -6.798 1.00 0.41 C ATOM 778 C ILE A 68 -9.439 -8.432 -5.500 1.00 0.41 C ATOM 779 O ILE A 68 -9.603 -9.653 -5.508 1.00 0.47 O ATOM 780 CB ILE A 68 -7.657 -7.536 -7.023 1.00 0.43 C ATOM 781 CG1 ILE A 68 -7.366 -6.869 -8.371 1.00 0.46 C ATOM 782 CG2 ILE A 68 -6.979 -8.899 -6.957 1.00 0.48 C ATOM 783 CD1 ILE A 68 -5.888 -6.645 -8.633 1.00 0.51 C ATOM 0 H ILE A 68 -9.206 -5.567 -6.764 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.614 -8.223 -7.632 1.00 0.41 H new ATOM 0 HB ILE A 68 -7.253 -6.910 -6.227 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -7.778 -7.487 -9.169 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -7.883 -5.910 -8.411 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -5.907 -8.781 -7.118 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -7.152 -9.344 -5.977 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -7.392 -9.549 -7.729 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.759 -6.169 -9.605 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.474 -6.002 -7.856 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -5.368 -7.603 -8.626 1.00 0.51 H new ATOM 795 N ALA A 69 -9.489 -7.705 -4.391 1.00 0.39 N ATOM 796 CA ALA A 69 -9.657 -8.313 -3.078 1.00 0.43 C ATOM 797 C ALA A 69 -11.002 -9.016 -2.949 1.00 0.47 C ATOM 798 O ALA A 69 -11.068 -10.241 -2.796 1.00 0.53 O ATOM 799 CB ALA A 69 -9.516 -7.259 -1.990 1.00 0.46 C ATOM 0 H ALA A 69 -9.415 -6.688 -4.376 1.00 0.39 H new ATOM 0 HA ALA A 69 -8.876 -9.064 -2.960 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -9.644 -7.725 -1.013 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -8.527 -6.805 -2.049 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.277 -6.490 -2.127 1.00 0.46 H new ATOM 805 N LYS A 70 -12.072 -8.242 -3.033 1.00 0.52 N ATOM 806 CA LYS A 70 -13.413 -8.756 -2.785 1.00 0.65 C ATOM 807 C LYS A 70 -13.884 -9.702 -3.868 1.00 0.63 C ATOM 808 O LYS A 70 -14.920 -10.352 -3.708 1.00 0.72 O ATOM 809 CB LYS A 70 -14.414 -7.628 -2.678 1.00 0.87 C ATOM 810 CG LYS A 70 -14.408 -6.689 -3.876 1.00 1.09 C ATOM 811 CD LYS A 70 -15.207 -5.424 -3.607 1.00 1.14 C ATOM 812 CE LYS A 70 -14.681 -4.687 -2.387 1.00 1.14 C ATOM 813 NZ LYS A 70 -15.242 -3.320 -2.278 1.00 1.50 N ATOM 0 H LYS A 70 -12.039 -7.251 -3.272 1.00 0.52 H new ATOM 0 HA LYS A 70 -13.352 -9.303 -1.844 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -15.412 -8.050 -2.563 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -14.205 -7.053 -1.776 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -13.380 -6.424 -4.124 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -14.823 -7.203 -4.743 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -15.160 -4.770 -4.478 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -16.256 -5.679 -3.456 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -14.927 -5.252 -1.488 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -13.594 -4.629 -2.439 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -14.534 -2.687 -1.855 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -15.495 -2.972 -3.225 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -16.091 -3.340 -1.678 1.00 1.50 H new ATOM 827 N LYS A 71 -13.140 -9.754 -4.963 1.00 0.62 N ATOM 828 CA LYS A 71 -13.498 -10.577 -6.105 1.00 0.76 C ATOM 829 C LYS A 71 -13.918 -11.970 -5.646 1.00 0.83 C ATOM 830 O LYS A 71 -14.937 -12.496 -6.095 1.00 1.03 O ATOM 831 CB LYS A 71 -12.309 -10.653 -7.077 1.00 0.84 C ATOM 832 CG LYS A 71 -12.654 -11.134 -8.485 1.00 1.26 C ATOM 833 CD LYS A 71 -12.869 -12.638 -8.548 1.00 1.71 C ATOM 834 CE LYS A 71 -13.146 -13.101 -9.968 1.00 2.27 C ATOM 835 NZ LYS A 71 -13.334 -14.572 -10.047 1.00 2.71 N ATOM 0 H LYS A 71 -12.274 -9.228 -5.083 1.00 0.62 H new ATOM 0 HA LYS A 71 -14.345 -10.127 -6.623 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -11.854 -9.665 -7.148 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -11.557 -11.320 -6.656 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -13.555 -10.626 -8.829 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -11.851 -10.856 -9.168 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -11.987 -13.149 -8.163 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -13.704 -12.915 -7.904 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -14.038 -12.601 -10.345 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -12.319 -12.806 -10.613 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -13.521 -14.846 -11.033 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -12.474 -15.050 -9.712 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -14.140 -14.851 -9.452 1.00 2.71 H new ATOM 917 N ALA A 77 -10.012 -6.753 3.340 1.00 0.55 N ATOM 918 CA ALA A 77 -8.583 -6.929 3.134 1.00 0.44 C ATOM 919 C ALA A 77 -7.767 -5.977 3.991 1.00 0.37 C ATOM 920 O ALA A 77 -8.287 -4.997 4.526 1.00 0.42 O ATOM 921 CB ALA A 77 -8.243 -6.708 1.668 1.00 0.71 C ATOM 0 HA ALA A 77 -8.330 -7.948 3.428 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -7.171 -6.841 1.519 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -8.787 -7.428 1.056 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -8.527 -5.697 1.377 1.00 0.71 H new ATOM 927 N LYS A 78 -6.487 -6.281 4.118 1.00 0.35 N ATOM 928 CA LYS A 78 -5.542 -5.362 4.719 1.00 0.37 C ATOM 929 C LYS A 78 -4.684 -4.773 3.613 1.00 0.33 C ATOM 930 O LYS A 78 -4.057 -5.511 2.852 1.00 0.37 O ATOM 931 CB LYS A 78 -4.646 -6.063 5.740 1.00 0.50 C ATOM 932 CG LYS A 78 -5.382 -6.735 6.885 1.00 0.63 C ATOM 933 CD LYS A 78 -4.395 -7.261 7.917 1.00 0.89 C ATOM 934 CE LYS A 78 -5.090 -7.959 9.073 1.00 1.04 C ATOM 935 NZ LYS A 78 -4.143 -8.273 10.180 1.00 1.67 N ATOM 0 H LYS A 78 -6.078 -7.163 3.810 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.094 -4.582 5.244 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.048 -6.813 5.222 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -3.951 -5.332 6.154 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -6.063 -6.025 7.354 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -5.990 -7.555 6.503 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -3.706 -7.956 7.437 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -3.798 -6.434 8.301 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -5.893 -7.326 9.450 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -5.551 -8.880 8.717 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -4.655 -8.749 10.950 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -3.391 -8.898 9.826 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -3.722 -7.392 10.537 1.00 1.67 H new ATOM 949 N ILE A 79 -4.675 -3.459 3.503 1.00 0.29 N ATOM 950 CA ILE A 79 -3.936 -2.802 2.440 1.00 0.29 C ATOM 951 C ILE A 79 -3.017 -1.740 3.021 1.00 0.29 C ATOM 952 O ILE A 79 -3.418 -0.977 3.890 1.00 0.40 O ATOM 953 CB ILE A 79 -4.885 -2.133 1.415 1.00 0.31 C ATOM 954 CG1 ILE A 79 -5.956 -3.120 0.937 1.00 0.37 C ATOM 955 CG2 ILE A 79 -4.092 -1.593 0.227 1.00 0.35 C ATOM 956 CD1 ILE A 79 -6.961 -2.508 -0.017 1.00 0.49 C ATOM 0 H ILE A 79 -5.168 -2.827 4.133 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.352 -3.568 1.929 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.385 -1.300 1.909 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.469 -3.963 0.447 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.485 -3.517 1.803 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -4.774 -1.126 -0.484 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.371 -0.854 0.577 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.564 -2.413 -0.261 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.688 -3.264 -0.313 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.475 -1.683 0.476 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.443 -2.136 -0.901 1.00 0.49 H new ATOM 968 N LEU A 80 -1.779 -1.710 2.570 1.00 0.23 N ATOM 969 CA LEU A 80 -0.878 -0.625 2.928 1.00 0.28 C ATOM 970 C LEU A 80 -0.609 0.252 1.725 1.00 0.30 C ATOM 971 O LEU A 80 -0.468 -0.237 0.612 1.00 0.45 O ATOM 972 CB LEU A 80 0.449 -1.145 3.487 1.00 0.40 C ATOM 973 CG LEU A 80 0.521 -1.237 5.010 1.00 0.57 C ATOM 974 CD1 LEU A 80 -0.421 -2.305 5.523 1.00 1.22 C ATOM 975 CD2 LEU A 80 1.947 -1.514 5.458 1.00 1.40 C ATOM 0 H LEU A 80 -1.373 -2.418 1.959 1.00 0.23 H new ATOM 0 HA LEU A 80 -1.368 -0.042 3.708 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.638 -2.134 3.070 1.00 0.40 H new ATOM 0 HB3 LEU A 80 1.251 -0.494 3.140 1.00 0.40 H new ATOM 0 HG LEU A 80 0.211 -0.280 5.430 1.00 0.57 H new ATOM 0 HD11 LEU A 80 -0.356 -2.356 6.610 1.00 1.22 H new ATOM 0 HD12 LEU A 80 -1.442 -2.060 5.232 1.00 1.22 H new ATOM 0 HD13 LEU A 80 -0.144 -3.269 5.097 1.00 1.22 H new ATOM 0 HD21 LEU A 80 1.981 -1.577 6.546 1.00 1.40 H new ATOM 0 HD22 LEU A 80 2.286 -2.457 5.029 1.00 1.40 H new ATOM 0 HD23 LEU A 80 2.598 -0.707 5.121 1.00 1.40 H new ATOM 987 N ILE A 81 -0.567 1.549 1.946 1.00 0.27 N ATOM 988 CA ILE A 81 -0.152 2.476 0.913 1.00 0.27 C ATOM 989 C ILE A 81 1.113 3.175 1.368 1.00 0.27 C ATOM 990 O ILE A 81 1.074 4.004 2.270 1.00 0.33 O ATOM 991 CB ILE A 81 -1.234 3.535 0.597 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.531 2.867 0.136 1.00 0.28 C ATOM 993 CG2 ILE A 81 -0.733 4.490 -0.479 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.700 3.824 0.016 1.00 0.38 C ATOM 0 H ILE A 81 -0.816 1.986 2.833 1.00 0.27 H new ATOM 0 HA ILE A 81 0.019 1.905 0.000 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.439 4.096 1.509 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.361 2.392 -0.830 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.791 2.076 0.839 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.502 5.232 -0.694 1.00 0.34 H new ATOM 0 HG22 ILE A 81 0.168 4.993 -0.128 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.506 3.929 -1.386 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.584 3.279 -0.315 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -3.897 4.281 0.986 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.461 4.602 -0.709 1.00 0.38 H new ATOM 1006 N LEU A 82 2.236 2.807 0.786 1.00 0.27 N ATOM 1007 CA LEU A 82 3.506 3.417 1.140 1.00 0.31 C ATOM 1008 C LEU A 82 3.766 4.610 0.240 1.00 0.34 C ATOM 1009 O LEU A 82 4.230 4.461 -0.882 1.00 0.59 O ATOM 1010 CB LEU A 82 4.643 2.398 1.018 1.00 0.43 C ATOM 1011 CG LEU A 82 4.815 1.435 2.202 1.00 0.76 C ATOM 1012 CD1 LEU A 82 3.520 0.712 2.532 1.00 1.61 C ATOM 1013 CD2 LEU A 82 5.904 0.428 1.892 1.00 1.08 C ATOM 0 H LEU A 82 2.298 2.088 0.065 1.00 0.27 H new ATOM 0 HA LEU A 82 3.461 3.754 2.175 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.480 1.808 0.116 1.00 0.43 H new ATOM 0 HB3 LEU A 82 5.578 2.941 0.879 1.00 0.43 H new ATOM 0 HG LEU A 82 5.097 2.025 3.074 1.00 0.76 H new ATOM 0 HD11 LEU A 82 3.683 0.040 3.375 1.00 1.61 H new ATOM 0 HD12 LEU A 82 2.752 1.441 2.792 1.00 1.61 H new ATOM 0 HD13 LEU A 82 3.194 0.135 1.666 1.00 1.61 H new ATOM 0 HD21 LEU A 82 6.021 -0.252 2.736 1.00 1.08 H new ATOM 0 HD22 LEU A 82 5.632 -0.140 1.003 1.00 1.08 H new ATOM 0 HD23 LEU A 82 6.844 0.951 1.714 1.00 1.08 H new ATOM 1025 N LEU A 83 3.474 5.792 0.743 1.00 0.35 N ATOM 1026 CA LEU A 83 3.561 7.000 -0.056 1.00 0.42 C ATOM 1027 C LEU A 83 4.392 8.046 0.645 1.00 0.44 C ATOM 1028 O LEU A 83 4.403 8.119 1.873 1.00 0.55 O ATOM 1029 CB LEU A 83 2.171 7.584 -0.375 1.00 0.45 C ATOM 1030 CG LEU A 83 1.293 8.066 0.802 1.00 0.49 C ATOM 1031 CD1 LEU A 83 0.027 8.698 0.256 1.00 1.17 C ATOM 1032 CD2 LEU A 83 0.925 6.947 1.757 1.00 1.13 C ATOM 0 H LEU A 83 3.173 5.943 1.706 1.00 0.35 H new ATOM 0 HA LEU A 83 4.039 6.721 -0.995 1.00 0.42 H new ATOM 0 HB2 LEU A 83 2.311 8.426 -1.052 1.00 0.45 H new ATOM 0 HB3 LEU A 83 1.609 6.826 -0.921 1.00 0.45 H new ATOM 0 HG LEU A 83 1.877 8.793 1.366 1.00 0.49 H new ATOM 0 HD11 LEU A 83 -0.595 9.039 1.083 1.00 1.17 H new ATOM 0 HD12 LEU A 83 0.288 9.547 -0.376 1.00 1.17 H new ATOM 0 HD13 LEU A 83 -0.522 7.963 -0.332 1.00 1.17 H new ATOM 0 HD21 LEU A 83 0.308 7.345 2.563 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.369 6.179 1.220 1.00 1.13 H new ATOM 0 HD23 LEU A 83 1.833 6.512 2.175 1.00 1.13 H new ATOM 1044 N GLU A 84 5.099 8.852 -0.124 1.00 0.43 N ATOM 1045 CA GLU A 84 5.819 9.950 0.468 1.00 0.45 C ATOM 1046 C GLU A 84 5.007 11.232 0.335 1.00 0.47 C ATOM 1047 O GLU A 84 5.007 11.897 -0.705 1.00 0.54 O ATOM 1048 CB GLU A 84 7.190 10.099 -0.200 1.00 0.55 C ATOM 1049 CG GLU A 84 7.132 10.115 -1.721 1.00 1.29 C ATOM 1050 CD GLU A 84 8.480 10.370 -2.354 1.00 1.47 C ATOM 1051 OE1 GLU A 84 9.068 9.423 -2.914 1.00 1.94 O ATOM 1052 OE2 GLU A 84 8.952 11.525 -2.301 1.00 2.04 O ATOM 0 H GLU A 84 5.187 8.767 -1.137 1.00 0.43 H new ATOM 0 HA GLU A 84 5.976 9.750 1.528 1.00 0.45 H new ATOM 0 HB2 GLU A 84 7.655 11.022 0.147 1.00 0.55 H new ATOM 0 HB3 GLU A 84 7.832 9.279 0.122 1.00 0.55 H new ATOM 0 HG2 GLU A 84 6.744 9.160 -2.076 1.00 1.29 H new ATOM 0 HG3 GLU A 84 6.432 10.884 -2.046 1.00 1.29 H new ATOM 1059 N LYS A 85 4.322 11.564 1.414 1.00 0.45 N ATOM 1060 CA LYS A 85 3.646 12.843 1.567 1.00 0.56 C ATOM 1061 C LYS A 85 3.075 12.933 2.979 1.00 0.53 C ATOM 1062 O LYS A 85 2.986 11.915 3.671 1.00 0.53 O ATOM 1063 CB LYS A 85 2.537 13.019 0.518 1.00 0.74 C ATOM 1064 CG LYS A 85 1.424 11.988 0.595 1.00 1.00 C ATOM 1065 CD LYS A 85 0.374 12.220 -0.485 1.00 0.91 C ATOM 1066 CE LYS A 85 -0.273 13.591 -0.357 1.00 1.66 C ATOM 1067 NZ LYS A 85 -1.342 13.801 -1.366 1.00 2.02 N ATOM 0 H LYS A 85 4.217 10.947 2.219 1.00 0.45 H new ATOM 0 HA LYS A 85 4.365 13.647 1.410 1.00 0.56 H new ATOM 0 HB2 LYS A 85 2.103 14.012 0.631 1.00 0.74 H new ATOM 0 HB3 LYS A 85 2.985 12.978 -0.475 1.00 0.74 H new ATOM 0 HG2 LYS A 85 1.844 10.988 0.487 1.00 1.00 H new ATOM 0 HG3 LYS A 85 0.953 12.031 1.577 1.00 1.00 H new ATOM 0 HD2 LYS A 85 0.836 12.126 -1.468 1.00 0.91 H new ATOM 0 HD3 LYS A 85 -0.393 11.448 -0.418 1.00 0.91 H new ATOM 0 HE2 LYS A 85 -0.692 13.701 0.643 1.00 1.66 H new ATOM 0 HE3 LYS A 85 0.488 14.363 -0.470 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 -1.867 14.669 -1.140 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 -0.915 13.891 -2.310 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 -1.993 12.990 -1.356 1.00 2.02 H new ATOM 1081 N PRO A 86 2.702 14.135 3.444 1.00 0.60 N ATOM 1082 CA PRO A 86 2.016 14.297 4.728 1.00 0.62 C ATOM 1083 C PRO A 86 0.630 13.657 4.699 1.00 0.61 C ATOM 1084 O PRO A 86 -0.216 14.042 3.888 1.00 0.68 O ATOM 1085 CB PRO A 86 1.897 15.819 4.894 1.00 0.74 C ATOM 1086 CG PRO A 86 2.866 16.399 3.921 1.00 0.85 C ATOM 1087 CD PRO A 86 2.936 15.428 2.782 1.00 0.74 C ATOM 0 HA PRO A 86 2.553 13.818 5.546 1.00 0.62 H new ATOM 0 HB2 PRO A 86 0.882 16.159 4.688 1.00 0.74 H new ATOM 0 HB3 PRO A 86 2.134 16.123 5.914 1.00 0.74 H new ATOM 0 HG2 PRO A 86 2.536 17.380 3.578 1.00 0.85 H new ATOM 0 HG3 PRO A 86 3.846 16.535 4.379 1.00 0.85 H new ATOM 0 HD2 PRO A 86 2.181 15.637 2.024 1.00 0.74 H new ATOM 0 HD3 PRO A 86 3.905 15.458 2.283 1.00 0.74 H new ATOM 1095 N VAL A 87 0.402 12.678 5.568 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.877 11.979 5.601 1.00 0.62 C ATOM 1097 C VAL A 87 -1.430 11.892 7.022 1.00 0.62 C ATOM 1098 O VAL A 87 -0.797 11.349 7.930 1.00 0.66 O ATOM 1099 CB VAL A 87 -0.789 10.555 4.990 1.00 0.69 C ATOM 1100 CG1 VAL A 87 -0.458 10.625 3.508 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.235 9.697 5.718 1.00 0.88 C ATOM 0 H VAL A 87 1.082 12.352 6.255 1.00 0.59 H new ATOM 0 HA VAL A 87 -1.559 12.569 4.988 1.00 0.62 H new ATOM 0 HB VAL A 87 -1.766 10.087 5.110 1.00 0.69 H new ATOM 0 HG11 VAL A 87 -0.401 9.616 3.100 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -1.236 11.184 2.987 1.00 1.17 H new ATOM 0 HG13 VAL A 87 0.501 11.126 3.373 1.00 1.17 H new ATOM 0 HG21 VAL A 87 0.269 8.707 5.263 1.00 0.88 H new ATOM 0 HG22 VAL A 87 1.217 10.164 5.646 1.00 0.88 H new ATOM 0 HG23 VAL A 87 -0.047 9.605 6.767 1.00 0.88 H new ATOM 1111 N SER A 88 -2.609 12.455 7.209 1.00 0.69 N ATOM 1112 CA SER A 88 -3.304 12.388 8.481 1.00 0.76 C ATOM 1113 C SER A 88 -4.170 11.131 8.535 1.00 0.72 C ATOM 1114 O SER A 88 -4.580 10.621 7.492 1.00 0.69 O ATOM 1115 CB SER A 88 -4.174 13.644 8.650 1.00 0.92 C ATOM 1116 OG SER A 88 -5.023 13.547 9.781 1.00 1.44 O ATOM 0 H SER A 88 -3.111 12.970 6.486 1.00 0.69 H new ATOM 0 HA SER A 88 -2.578 12.343 9.293 1.00 0.76 H new ATOM 0 HB2 SER A 88 -3.533 14.520 8.751 1.00 0.92 H new ATOM 0 HB3 SER A 88 -4.777 13.792 7.754 1.00 0.92 H new ATOM 0 HG SER A 88 -5.560 14.363 9.858 1.00 1.44 H new ATOM 1122 N PRO A 89 -4.442 10.595 9.740 1.00 0.78 N ATOM 1123 CA PRO A 89 -5.406 9.503 9.913 1.00 0.79 C ATOM 1124 C PRO A 89 -6.767 9.862 9.316 1.00 0.67 C ATOM 1125 O PRO A 89 -7.503 8.995 8.842 1.00 0.65 O ATOM 1126 CB PRO A 89 -5.507 9.351 11.432 1.00 0.98 C ATOM 1127 CG PRO A 89 -4.215 9.876 11.953 1.00 1.14 C ATOM 1128 CD PRO A 89 -3.811 10.982 11.017 1.00 0.92 C ATOM 0 HA PRO A 89 -5.095 8.588 9.409 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -6.352 9.913 11.831 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -5.654 8.309 11.716 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -4.327 10.248 12.971 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -3.458 9.092 11.981 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -4.167 11.952 11.364 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -2.727 11.055 10.924 1.00 0.92 H new ATOM 1136 N GLU A 90 -7.077 11.155 9.330 1.00 0.71 N ATOM 1137 CA GLU A 90 -8.294 11.670 8.718 1.00 0.72 C ATOM 1138 C GLU A 90 -8.208 11.522 7.199 1.00 0.64 C ATOM 1139 O GLU A 90 -9.178 11.159 6.529 1.00 0.68 O ATOM 1140 CB GLU A 90 -8.470 13.144 9.094 1.00 0.87 C ATOM 1141 CG GLU A 90 -9.796 13.743 8.661 1.00 1.24 C ATOM 1142 CD GLU A 90 -10.980 13.101 9.351 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -11.101 13.244 10.587 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -11.805 12.468 8.663 1.00 2.37 O ATOM 0 H GLU A 90 -6.494 11.871 9.764 1.00 0.71 H new ATOM 0 HA GLU A 90 -9.152 11.104 9.080 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -8.374 13.245 10.175 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -7.660 13.721 8.647 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -9.793 14.812 8.873 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -9.905 13.632 7.582 1.00 1.24 H new ATOM 1151 N TYR A 91 -7.023 11.796 6.672 1.00 0.62 N ATOM 1152 CA TYR A 91 -6.760 11.662 5.249 1.00 0.62 C ATOM 1153 C TYR A 91 -6.806 10.192 4.850 1.00 0.52 C ATOM 1154 O TYR A 91 -7.332 9.839 3.798 1.00 0.52 O ATOM 1155 CB TYR A 91 -5.395 12.273 4.915 1.00 0.72 C ATOM 1156 CG TYR A 91 -5.065 12.299 3.442 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -5.763 13.123 2.569 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -4.042 11.513 2.926 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -5.453 13.160 1.224 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -3.728 11.544 1.582 1.00 3.00 C ATOM 1161 CZ TYR A 91 -4.436 12.370 0.736 1.00 2.89 C ATOM 1162 OH TYR A 91 -4.121 12.413 -0.603 1.00 3.78 O ATOM 0 H TYR A 91 -6.222 12.116 7.216 1.00 0.62 H new ATOM 0 HA TYR A 91 -7.526 12.196 4.686 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -5.363 13.292 5.300 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -4.621 11.711 5.438 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -6.561 13.745 2.948 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -3.483 10.867 3.587 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -6.006 13.806 0.558 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -2.932 10.925 1.196 1.00 3.00 H new ATOM 0 HH TYR A 91 -4.320 13.305 -0.957 1.00 3.78 H new ATOM 1172 N GLU A 92 -6.266 9.339 5.716 1.00 0.48 N ATOM 1173 CA GLU A 92 -6.306 7.900 5.516 1.00 0.42 C ATOM 1174 C GLU A 92 -7.749 7.410 5.399 1.00 0.42 C ATOM 1175 O GLU A 92 -8.048 6.536 4.588 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.597 7.203 6.678 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.584 5.691 6.571 1.00 0.49 C ATOM 1178 CD GLU A 92 -4.899 5.036 7.752 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -5.555 4.863 8.799 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -3.703 4.694 7.644 1.00 1.14 O ATOM 0 H GLU A 92 -5.791 9.628 6.571 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.793 7.658 4.586 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.569 7.563 6.732 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -6.084 7.487 7.611 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.608 5.325 6.500 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -5.077 5.399 5.652 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.641 8.001 6.193 1.00 0.47 N ATOM 1188 CA LYS A 93 -10.058 7.650 6.168 1.00 0.54 C ATOM 1189 C LYS A 93 -10.662 7.885 4.789 1.00 0.53 C ATOM 1190 O LYS A 93 -11.594 7.191 4.395 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.836 8.450 7.218 1.00 0.69 C ATOM 1192 CG LYS A 93 -10.594 7.993 8.649 1.00 1.51 C ATOM 1193 CD LYS A 93 -11.171 6.605 8.897 1.00 2.25 C ATOM 1194 CE LYS A 93 -10.896 6.121 10.313 1.00 2.80 C ATOM 1195 NZ LYS A 93 -11.440 7.048 11.338 1.00 3.25 N ATOM 0 H LYS A 93 -8.404 8.730 6.866 1.00 0.47 H new ATOM 0 HA LYS A 93 -10.135 6.588 6.403 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.564 9.502 7.133 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -11.901 8.377 6.999 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -9.523 7.985 8.853 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -11.045 8.705 9.341 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -12.247 6.622 8.722 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -10.743 5.901 8.183 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -11.336 5.133 10.449 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -9.821 6.014 10.456 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -11.397 6.595 12.273 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -10.876 7.922 11.350 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -12.428 7.277 11.109 1.00 3.25 H new ATOM 1209 N LYS A 94 -10.122 8.850 4.053 1.00 0.54 N ATOM 1210 CA LYS A 94 -10.609 9.138 2.709 1.00 0.59 C ATOM 1211 C LYS A 94 -10.364 7.946 1.794 1.00 0.52 C ATOM 1212 O LYS A 94 -11.252 7.517 1.059 1.00 0.57 O ATOM 1213 CB LYS A 94 -9.924 10.378 2.131 1.00 0.67 C ATOM 1214 CG LYS A 94 -10.151 11.647 2.936 1.00 1.19 C ATOM 1215 CD LYS A 94 -9.381 12.823 2.351 1.00 1.48 C ATOM 1216 CE LYS A 94 -9.858 13.182 0.948 1.00 1.97 C ATOM 1217 NZ LYS A 94 -11.269 13.654 0.935 1.00 2.44 N ATOM 0 H LYS A 94 -9.352 9.443 4.362 1.00 0.54 H new ATOM 0 HA LYS A 94 -11.680 9.331 2.774 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -8.852 10.190 2.065 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -10.283 10.537 1.114 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -11.215 11.881 2.956 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -9.841 11.485 3.968 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -9.492 13.689 3.004 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -8.319 12.581 2.321 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -9.214 13.958 0.535 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -9.763 12.311 0.300 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -11.496 14.044 -0.002 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -11.904 12.856 1.141 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -11.395 14.392 1.657 1.00 2.44 H new ATOM 1231 N LEU A 95 -9.158 7.398 1.865 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.775 6.281 1.012 1.00 0.45 C ATOM 1233 C LEU A 95 -9.315 4.970 1.571 1.00 0.39 C ATOM 1234 O LEU A 95 -9.670 4.062 0.820 1.00 0.41 O ATOM 1235 CB LEU A 95 -7.248 6.192 0.864 1.00 0.46 C ATOM 1236 CG LEU A 95 -6.563 7.377 0.161 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -7.318 7.780 -1.097 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -6.409 8.562 1.101 1.00 1.12 C ATOM 0 H LEU A 95 -8.428 7.709 2.505 1.00 0.47 H new ATOM 0 HA LEU A 95 -9.208 6.455 0.027 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.813 6.085 1.858 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -7.010 5.282 0.313 1.00 0.46 H new ATOM 0 HG LEU A 95 -5.565 7.051 -0.134 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -6.811 8.620 -1.572 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -7.350 6.937 -1.788 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -8.334 8.072 -0.833 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -5.922 9.383 0.575 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -7.392 8.884 1.445 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -5.803 8.270 1.958 1.00 1.12 H new ATOM 1250 N GLN A 96 -9.383 4.887 2.893 1.00 0.37 N ATOM 1251 CA GLN A 96 -9.879 3.697 3.571 1.00 0.40 C ATOM 1252 C GLN A 96 -11.381 3.535 3.327 1.00 0.45 C ATOM 1253 O GLN A 96 -11.905 2.424 3.313 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.576 3.793 5.073 1.00 0.53 C ATOM 1255 CG GLN A 96 -9.835 2.513 5.855 1.00 0.60 C ATOM 1256 CD GLN A 96 -9.348 2.598 7.289 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -8.989 1.589 7.895 1.00 1.79 O ATOM 1258 NE2 GLN A 96 -9.323 3.802 7.839 1.00 2.20 N ATOM 0 H GLN A 96 -9.098 5.638 3.522 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.375 2.818 3.169 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -8.532 4.077 5.202 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -10.179 4.593 5.502 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -10.904 2.298 5.850 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -9.340 1.680 5.356 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -9.629 4.614 7.303 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -8.998 3.918 8.799 1.00 2.20 H new ATOM 1267 N LYS A 97 -12.070 4.657 3.164 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.481 4.635 2.798 1.00 0.64 C ATOM 1269 C LYS A 97 -13.649 4.439 1.287 1.00 0.65 C ATOM 1270 O LYS A 97 -14.669 3.923 0.829 1.00 0.72 O ATOM 1271 CB LYS A 97 -14.165 5.928 3.252 1.00 0.78 C ATOM 1272 CG LYS A 97 -15.665 5.952 3.010 1.00 1.44 C ATOM 1273 CD LYS A 97 -16.297 7.214 3.568 1.00 1.95 C ATOM 1274 CE LYS A 97 -17.780 7.281 3.246 1.00 2.39 C ATOM 1275 NZ LYS A 97 -18.422 8.492 3.821 1.00 2.87 N ATOM 0 H LYS A 97 -11.677 5.591 3.279 1.00 0.52 H new ATOM 0 HA LYS A 97 -13.955 3.793 3.302 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.977 6.072 4.316 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -13.710 6.770 2.731 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -15.863 5.887 1.940 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -16.124 5.078 3.473 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -16.156 7.246 4.648 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -15.794 8.088 3.155 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -17.916 7.278 2.165 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -18.275 6.390 3.633 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -19.433 8.498 3.577 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -18.315 8.484 4.855 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -17.968 9.343 3.433 1.00 2.87 H new ATOM 1289 N TYR A 98 -12.637 4.852 0.524 1.00 0.63 N ATOM 1290 CA TYR A 98 -12.673 4.749 -0.935 1.00 0.68 C ATOM 1291 C TYR A 98 -12.620 3.286 -1.363 1.00 0.64 C ATOM 1292 O TYR A 98 -13.438 2.821 -2.158 1.00 0.73 O ATOM 1293 CB TYR A 98 -11.494 5.522 -1.540 1.00 0.71 C ATOM 1294 CG TYR A 98 -11.549 5.672 -3.044 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -12.404 6.593 -3.632 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -10.739 4.906 -3.874 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -12.455 6.746 -5.003 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -10.785 5.052 -5.247 1.00 2.50 C ATOM 1299 CZ TYR A 98 -11.644 5.974 -5.806 1.00 2.73 C ATOM 1300 OH TYR A 98 -11.695 6.127 -7.174 1.00 3.64 O ATOM 0 H TYR A 98 -11.779 5.262 0.894 1.00 0.63 H new ATOM 0 HA TYR A 98 -13.605 5.182 -1.298 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -11.457 6.514 -1.090 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -10.567 5.015 -1.272 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -13.041 7.201 -3.006 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -10.063 4.185 -3.439 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -13.127 7.467 -5.444 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -10.152 4.447 -5.879 1.00 2.50 H new ATOM 0 HH TYR A 98 -11.061 5.510 -7.596 1.00 3.64 H new ATOM 1310 N ALA A 99 -11.649 2.569 -0.824 1.00 0.56 N ATOM 1311 CA ALA A 99 -11.554 1.136 -1.021 1.00 0.56 C ATOM 1312 C ALA A 99 -11.920 0.451 0.275 1.00 0.52 C ATOM 1313 O ALA A 99 -11.257 0.662 1.289 1.00 0.60 O ATOM 1314 CB ALA A 99 -10.147 0.748 -1.443 1.00 0.59 C ATOM 0 H ALA A 99 -10.910 2.962 -0.242 1.00 0.56 H new ATOM 0 HA ALA A 99 -12.237 0.827 -1.812 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -10.095 -0.331 -1.586 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -9.896 1.251 -2.377 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -9.440 1.046 -0.669 1.00 0.59 H new ATOM 1320 N ASP A 100 -12.965 -0.364 0.261 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.444 -0.933 1.504 1.00 0.53 C ATOM 1322 C ASP A 100 -12.529 -2.049 1.950 1.00 0.47 C ATOM 1323 O ASP A 100 -12.569 -3.170 1.440 1.00 0.51 O ATOM 1324 CB ASP A 100 -14.876 -1.441 1.385 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.385 -1.987 2.704 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -15.970 -3.092 2.713 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -15.189 -1.317 3.742 1.00 1.73 O ATOM 0 H ASP A 100 -13.483 -0.638 -0.574 1.00 0.54 H new ATOM 0 HA ASP A 100 -13.440 -0.140 2.252 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -15.524 -0.630 1.052 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -14.924 -2.221 0.625 1.00 0.66 H new ATOM 1332 N ALA A 101 -11.722 -1.705 2.924 1.00 0.42 N ATOM 1333 CA ALA A 101 -10.747 -2.586 3.513 1.00 0.39 C ATOM 1334 C ALA A 101 -10.148 -1.857 4.684 1.00 0.37 C ATOM 1335 O ALA A 101 -10.665 -0.818 5.097 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.676 -2.958 2.495 1.00 0.43 C ATOM 0 H ALA A 101 -11.727 -0.774 3.341 1.00 0.42 H new ATOM 0 HA ALA A 101 -11.210 -3.517 3.839 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -8.949 -3.624 2.959 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -10.140 -3.462 1.647 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -9.173 -2.055 2.150 1.00 0.43 H new ATOM 1342 N GLU A 102 -9.077 -2.378 5.221 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.358 -1.663 6.240 1.00 0.31 C ATOM 1344 C GLU A 102 -7.035 -1.185 5.674 1.00 0.29 C ATOM 1345 O GLU A 102 -6.026 -1.894 5.739 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.123 -2.550 7.448 1.00 0.41 C ATOM 1347 CG GLU A 102 -9.355 -3.306 7.906 1.00 0.76 C ATOM 1348 CD GLU A 102 -9.084 -4.141 9.135 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -9.362 -3.663 10.253 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -8.577 -5.273 8.992 1.00 1.77 O ATOM 0 H GLU A 102 -8.686 -3.287 4.972 1.00 0.31 H new ATOM 0 HA GLU A 102 -8.948 -0.804 6.560 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -7.336 -3.267 7.212 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -7.759 -1.936 8.272 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -10.156 -2.598 8.118 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -9.705 -3.951 7.100 1.00 0.76 H new ATOM 1357 N VAL A 103 -7.041 0.005 5.091 1.00 0.27 N ATOM 1358 CA VAL A 103 -5.828 0.544 4.515 1.00 0.32 C ATOM 1359 C VAL A 103 -5.046 1.295 5.578 1.00 0.32 C ATOM 1360 O VAL A 103 -5.613 2.002 6.413 1.00 0.38 O ATOM 1361 CB VAL A 103 -6.088 1.459 3.285 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -6.432 2.881 3.688 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -4.883 1.462 2.363 1.00 1.05 C ATOM 0 H VAL A 103 -7.862 0.605 5.007 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.245 -0.301 4.150 1.00 0.32 H new ATOM 0 HB VAL A 103 -6.949 1.048 2.759 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -6.605 3.481 2.794 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -7.332 2.877 4.302 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -5.606 3.308 4.257 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -5.081 2.107 1.507 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -4.012 1.833 2.903 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -4.688 0.447 2.015 1.00 1.05 H new ATOM 1373 N ARG A 104 -3.753 1.085 5.571 1.00 0.33 N ATOM 1374 CA ARG A 104 -2.861 1.750 6.488 1.00 0.37 C ATOM 1375 C ARG A 104 -1.845 2.542 5.687 1.00 0.33 C ATOM 1376 O ARG A 104 -0.877 1.983 5.166 1.00 0.38 O ATOM 1377 CB ARG A 104 -2.181 0.706 7.375 1.00 0.46 C ATOM 1378 CG ARG A 104 -1.246 1.277 8.423 1.00 1.23 C ATOM 1379 CD ARG A 104 -0.672 0.166 9.286 1.00 1.26 C ATOM 1380 NE ARG A 104 0.318 0.655 10.241 1.00 1.50 N ATOM 1381 CZ ARG A 104 1.229 -0.125 10.822 1.00 1.82 C ATOM 1382 NH1 ARG A 104 1.233 -1.432 10.594 1.00 1.78 N ATOM 1383 NH2 ARG A 104 2.119 0.390 11.655 1.00 2.71 N ATOM 0 H ARG A 104 -3.288 0.446 4.927 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.409 2.437 7.133 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -2.950 0.118 7.876 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -1.619 0.021 6.741 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -0.437 1.824 7.938 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -1.783 1.990 9.048 1.00 1.23 H new ATOM 0 HD2 ARG A 104 -1.481 -0.325 9.826 1.00 1.26 H new ATOM 0 HD3 ARG A 104 -0.213 -0.587 8.645 1.00 1.26 H new ATOM 0 HE ARG A 104 0.312 1.647 10.476 1.00 1.50 H new ATOM 0 HH11 ARG A 104 0.537 -1.843 9.972 1.00 1.78 H new ATOM 0 HH12 ARG A 104 1.932 -2.025 11.041 1.00 1.78 H new ATOM 0 HH21 ARG A 104 2.111 1.390 11.856 1.00 2.71 H new ATOM 0 HH22 ARG A 104 2.813 -0.213 12.096 1.00 2.71 H new ATOM 1397 N VAL A 105 -2.081 3.839 5.559 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.220 4.674 4.747 1.00 0.31 C ATOM 1399 C VAL A 105 0.086 4.938 5.490 1.00 0.31 C ATOM 1400 O VAL A 105 0.086 5.318 6.660 1.00 0.41 O ATOM 1401 CB VAL A 105 -1.893 6.006 4.335 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.160 5.735 3.537 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -2.194 6.885 5.539 1.00 0.71 C ATOM 0 H VAL A 105 -2.856 4.330 6.005 1.00 0.31 H new ATOM 0 HA VAL A 105 -1.015 4.134 3.823 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.189 6.550 3.705 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.622 6.681 3.255 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -2.910 5.171 2.638 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -3.857 5.159 4.145 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.666 7.809 5.206 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -2.867 6.358 6.215 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -1.266 7.119 6.060 1.00 0.71 H new ATOM 1413 N ARG A 106 1.198 4.683 4.830 1.00 0.31 N ATOM 1414 CA ARG A 106 2.501 4.830 5.452 1.00 0.35 C ATOM 1415 C ARG A 106 3.303 5.901 4.739 1.00 0.29 C ATOM 1416 O ARG A 106 3.610 5.772 3.554 1.00 0.31 O ATOM 1417 CB ARG A 106 3.259 3.500 5.425 1.00 0.46 C ATOM 1418 CG ARG A 106 2.565 2.365 6.171 1.00 0.79 C ATOM 1419 CD ARG A 106 2.581 2.566 7.683 1.00 0.87 C ATOM 1420 NE ARG A 106 1.727 3.673 8.116 1.00 1.30 N ATOM 1421 CZ ARG A 106 1.774 4.224 9.329 1.00 1.70 C ATOM 1422 NH1 ARG A 106 2.648 3.790 10.227 1.00 1.88 N ATOM 1423 NH2 ARG A 106 0.952 5.218 9.638 1.00 2.63 N ATOM 0 H ARG A 106 1.226 4.372 3.859 1.00 0.31 H new ATOM 0 HA ARG A 106 2.358 5.129 6.490 1.00 0.35 H new ATOM 0 HB2 ARG A 106 3.406 3.200 4.387 1.00 0.46 H new ATOM 0 HB3 ARG A 106 4.249 3.651 5.856 1.00 0.46 H new ATOM 0 HG2 ARG A 106 1.533 2.287 5.829 1.00 0.79 H new ATOM 0 HG3 ARG A 106 3.054 1.422 5.928 1.00 0.79 H new ATOM 0 HD2 ARG A 106 2.253 1.648 8.171 1.00 0.87 H new ATOM 0 HD3 ARG A 106 3.604 2.753 8.010 1.00 0.87 H new ATOM 0 HE ARG A 106 1.053 4.046 7.447 1.00 1.30 H new ATOM 0 HH11 ARG A 106 3.288 3.032 9.991 1.00 1.88 H new ATOM 0 HH12 ARG A 106 2.680 4.215 11.154 1.00 1.88 H new ATOM 0 HH21 ARG A 106 0.284 5.561 8.948 1.00 2.63 H new ATOM 0 HH22 ARG A 106 0.988 5.640 10.566 1.00 2.63 H new ATOM 1437 N THR A 107 3.630 6.958 5.460 1.00 0.34 N ATOM 1438 CA THR A 107 4.393 8.052 4.896 1.00 0.36 C ATOM 1439 C THR A 107 5.890 7.751 4.982 1.00 0.40 C ATOM 1440 O THR A 107 6.523 7.900 6.031 1.00 0.56 O ATOM 1441 CB THR A 107 4.045 9.399 5.583 1.00 0.50 C ATOM 1442 OG1 THR A 107 4.905 10.445 5.114 1.00 0.56 O ATOM 1443 CG2 THR A 107 4.126 9.299 7.101 1.00 0.64 C ATOM 0 H THR A 107 3.377 7.080 6.441 1.00 0.34 H new ATOM 0 HA THR A 107 4.124 8.152 3.845 1.00 0.36 H new ATOM 0 HB THR A 107 3.015 9.638 5.317 1.00 0.50 H new ATOM 0 HG1 THR A 107 4.395 11.057 4.544 1.00 0.56 H new ATOM 0 HG21 THR A 107 3.875 10.263 7.543 1.00 0.64 H new ATOM 0 HG22 THR A 107 3.423 8.544 7.454 1.00 0.64 H new ATOM 0 HG23 THR A 107 5.138 9.018 7.394 1.00 0.64 H new ATOM 1451 N VAL A 108 6.443 7.298 3.872 1.00 0.44 N ATOM 1452 CA VAL A 108 7.843 6.911 3.821 1.00 0.60 C ATOM 1453 C VAL A 108 8.705 8.044 3.282 1.00 0.68 C ATOM 1454 O VAL A 108 8.238 8.885 2.517 1.00 0.86 O ATOM 1455 CB VAL A 108 8.054 5.645 2.960 1.00 0.71 C ATOM 1456 CG1 VAL A 108 7.367 4.448 3.597 1.00 1.34 C ATOM 1457 CG2 VAL A 108 7.546 5.859 1.541 1.00 0.97 C ATOM 0 H VAL A 108 5.943 7.188 2.990 1.00 0.44 H new ATOM 0 HA VAL A 108 8.147 6.688 4.844 1.00 0.60 H new ATOM 0 HB VAL A 108 9.124 5.445 2.909 1.00 0.71 H new ATOM 0 HG11 VAL A 108 7.526 3.565 2.978 1.00 1.34 H new ATOM 0 HG12 VAL A 108 7.784 4.275 4.589 1.00 1.34 H new ATOM 0 HG13 VAL A 108 6.298 4.644 3.682 1.00 1.34 H new ATOM 0 HG21 VAL A 108 7.707 4.953 0.957 1.00 0.97 H new ATOM 0 HG22 VAL A 108 6.481 6.090 1.567 1.00 0.97 H new ATOM 0 HG23 VAL A 108 8.086 6.687 1.082 1.00 0.97 H new ATOM 1467 N THR A 109 9.953 8.076 3.716 1.00 0.68 N ATOM 1468 CA THR A 109 10.916 9.057 3.239 1.00 0.78 C ATOM 1469 C THR A 109 12.237 8.377 2.892 1.00 0.71 C ATOM 1470 O THR A 109 13.220 9.029 2.536 1.00 0.88 O ATOM 1471 CB THR A 109 11.164 10.147 4.300 1.00 0.96 C ATOM 1472 OG1 THR A 109 11.271 9.548 5.600 1.00 1.22 O ATOM 1473 CG2 THR A 109 10.048 11.179 4.307 1.00 1.11 C ATOM 0 H THR A 109 10.328 7.426 4.407 1.00 0.68 H new ATOM 0 HA THR A 109 10.503 9.524 2.345 1.00 0.78 H new ATOM 0 HB THR A 109 12.096 10.653 4.048 1.00 0.96 H new ATOM 0 HG1 THR A 109 11.636 8.643 5.514 1.00 1.22 H new ATOM 0 HG21 THR A 109 10.254 11.933 5.067 1.00 1.11 H new ATOM 0 HG22 THR A 109 9.988 11.656 3.329 1.00 1.11 H new ATOM 0 HG23 THR A 109 9.100 10.689 4.530 1.00 1.11 H new ATOM 1481 N SER A 110 12.253 7.056 3.008 1.00 0.59 N ATOM 1482 CA SER A 110 13.455 6.271 2.792 1.00 0.54 C ATOM 1483 C SER A 110 13.069 4.849 2.394 1.00 0.49 C ATOM 1484 O SER A 110 12.028 4.340 2.817 1.00 0.51 O ATOM 1485 CB SER A 110 14.298 6.248 4.071 1.00 0.62 C ATOM 1486 OG SER A 110 14.571 7.563 4.534 1.00 0.93 O ATOM 0 H SER A 110 11.433 6.502 3.254 1.00 0.59 H new ATOM 0 HA SER A 110 14.043 6.721 1.992 1.00 0.54 H new ATOM 0 HB2 SER A 110 13.772 5.690 4.845 1.00 0.62 H new ATOM 0 HB3 SER A 110 15.235 5.725 3.882 1.00 0.62 H new ATOM 0 HG SER A 110 15.109 7.517 5.352 1.00 0.93 H new ATOM 1492 N PRO A 111 13.904 4.191 1.567 1.00 0.49 N ATOM 1493 CA PRO A 111 13.608 2.860 1.025 1.00 0.49 C ATOM 1494 C PRO A 111 13.540 1.772 2.096 1.00 0.45 C ATOM 1495 O PRO A 111 12.877 0.751 1.909 1.00 0.50 O ATOM 1496 CB PRO A 111 14.774 2.579 0.063 1.00 0.58 C ATOM 1497 CG PRO A 111 15.414 3.903 -0.178 1.00 0.60 C ATOM 1498 CD PRO A 111 15.199 4.698 1.075 1.00 0.54 C ATOM 0 HA PRO A 111 12.628 2.847 0.549 1.00 0.49 H new ATOM 0 HB2 PRO A 111 15.482 1.874 0.499 1.00 0.58 H new ATOM 0 HB3 PRO A 111 14.418 2.139 -0.869 1.00 0.58 H new ATOM 0 HG2 PRO A 111 16.477 3.790 -0.391 1.00 0.60 H new ATOM 0 HG3 PRO A 111 14.968 4.402 -1.038 1.00 0.60 H new ATOM 0 HD2 PRO A 111 15.998 4.536 1.799 1.00 0.54 H new ATOM 0 HD3 PRO A 111 15.164 5.769 0.873 1.00 0.54 H new ATOM 1506 N ASP A 112 14.223 1.986 3.214 1.00 0.47 N ATOM 1507 CA ASP A 112 14.236 0.997 4.288 1.00 0.49 C ATOM 1508 C ASP A 112 12.956 1.053 5.103 1.00 0.43 C ATOM 1509 O ASP A 112 12.494 0.029 5.609 1.00 0.45 O ATOM 1510 CB ASP A 112 15.454 1.174 5.193 1.00 0.60 C ATOM 1511 CG ASP A 112 16.731 0.715 4.524 1.00 1.16 C ATOM 1512 OD1 ASP A 112 17.516 1.571 4.071 1.00 1.71 O ATOM 1513 OD2 ASP A 112 16.952 -0.508 4.430 1.00 2.04 O ATOM 0 H ASP A 112 14.770 2.826 3.401 1.00 0.47 H new ATOM 0 HA ASP A 112 14.301 0.014 3.822 1.00 0.49 H new ATOM 0 HB2 ASP A 112 15.548 2.223 5.472 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.305 0.611 6.115 1.00 0.60 H new ATOM 1518 N GLU A 113 12.372 2.241 5.215 1.00 0.43 N ATOM 1519 CA GLU A 113 11.095 2.393 5.900 1.00 0.45 C ATOM 1520 C GLU A 113 10.032 1.565 5.196 1.00 0.37 C ATOM 1521 O GLU A 113 9.235 0.881 5.836 1.00 0.40 O ATOM 1522 CB GLU A 113 10.661 3.856 5.928 1.00 0.57 C ATOM 1523 CG GLU A 113 11.620 4.772 6.663 1.00 0.78 C ATOM 1524 CD GLU A 113 11.146 6.209 6.665 1.00 1.46 C ATOM 1525 OE1 GLU A 113 11.307 6.891 5.639 1.00 2.21 O ATOM 1526 OE2 GLU A 113 10.604 6.660 7.693 1.00 2.13 O ATOM 0 H GLU A 113 12.760 3.108 4.843 1.00 0.43 H new ATOM 0 HA GLU A 113 11.215 2.046 6.926 1.00 0.45 H new ATOM 0 HB2 GLU A 113 10.550 4.211 4.903 1.00 0.57 H new ATOM 0 HB3 GLU A 113 9.679 3.924 6.397 1.00 0.57 H new ATOM 0 HG2 GLU A 113 11.734 4.427 7.691 1.00 0.78 H new ATOM 0 HG3 GLU A 113 12.604 4.716 6.197 1.00 0.78 H new ATOM 1533 N ALA A 114 10.050 1.623 3.869 1.00 0.37 N ATOM 1534 CA ALA A 114 9.110 0.876 3.047 1.00 0.39 C ATOM 1535 C ALA A 114 9.160 -0.613 3.370 1.00 0.36 C ATOM 1536 O ALA A 114 8.135 -1.234 3.650 1.00 0.38 O ATOM 1537 CB ALA A 114 9.408 1.109 1.574 1.00 0.48 C ATOM 0 H ALA A 114 10.713 2.186 3.337 1.00 0.37 H new ATOM 0 HA ALA A 114 8.104 1.233 3.268 1.00 0.39 H new ATOM 0 HB1 ALA A 114 8.700 0.546 0.966 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.316 2.171 1.348 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.422 0.777 1.351 1.00 0.48 H new ATOM 1543 N LYS A 115 10.364 -1.172 3.352 1.00 0.38 N ATOM 1544 CA LYS A 115 10.555 -2.588 3.643 1.00 0.45 C ATOM 1545 C LYS A 115 10.114 -2.913 5.067 1.00 0.39 C ATOM 1546 O LYS A 115 9.550 -3.975 5.323 1.00 0.44 O ATOM 1547 CB LYS A 115 12.023 -2.978 3.458 1.00 0.57 C ATOM 1548 CG LYS A 115 12.527 -2.836 2.028 1.00 0.75 C ATOM 1549 CD LYS A 115 14.014 -3.148 1.923 1.00 0.77 C ATOM 1550 CE LYS A 115 14.847 -2.136 2.693 1.00 1.22 C ATOM 1551 NZ LYS A 115 16.297 -2.461 2.677 1.00 1.53 N ATOM 0 H LYS A 115 11.224 -0.666 3.139 1.00 0.38 H new ATOM 0 HA LYS A 115 9.942 -3.160 2.946 1.00 0.45 H new ATOM 0 HB2 LYS A 115 12.638 -2.359 4.112 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.157 -4.011 3.778 1.00 0.57 H new ATOM 0 HG2 LYS A 115 11.967 -3.507 1.376 1.00 0.75 H new ATOM 0 HG3 LYS A 115 12.342 -1.821 1.676 1.00 0.75 H new ATOM 0 HD2 LYS A 115 14.206 -4.149 2.309 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.315 -3.148 0.875 1.00 0.77 H new ATOM 0 HE2 LYS A 115 14.696 -1.145 2.265 1.00 1.22 H new ATOM 0 HE3 LYS A 115 14.499 -2.094 3.725 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 16.824 -1.723 3.187 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 16.452 -3.379 3.140 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 16.631 -2.508 1.693 1.00 1.53 H new ATOM 1565 N ARG A 116 10.362 -1.985 5.984 1.00 0.36 N ATOM 1566 CA ARG A 116 10.048 -2.186 7.393 1.00 0.39 C ATOM 1567 C ARG A 116 8.538 -2.227 7.622 1.00 0.35 C ATOM 1568 O ARG A 116 8.042 -3.055 8.387 1.00 0.42 O ATOM 1569 CB ARG A 116 10.688 -1.076 8.228 1.00 0.50 C ATOM 1570 CG ARG A 116 10.588 -1.289 9.730 1.00 1.14 C ATOM 1571 CD ARG A 116 11.438 -0.276 10.478 1.00 1.65 C ATOM 1572 NE ARG A 116 12.835 -0.331 10.050 1.00 2.40 N ATOM 1573 CZ ARG A 116 13.651 0.720 10.016 1.00 3.29 C ATOM 1574 NH1 ARG A 116 13.234 1.905 10.445 1.00 3.61 N ATOM 1575 NH2 ARG A 116 14.894 0.580 9.573 1.00 4.21 N ATOM 0 H ARG A 116 10.783 -1.080 5.774 1.00 0.36 H new ATOM 0 HA ARG A 116 10.455 -3.148 7.704 1.00 0.39 H new ATOM 0 HB2 ARG A 116 11.739 -0.991 7.954 1.00 0.50 H new ATOM 0 HB3 ARG A 116 10.215 -0.127 7.975 1.00 0.50 H new ATOM 0 HG2 ARG A 116 9.548 -1.201 10.046 1.00 1.14 H new ATOM 0 HG3 ARG A 116 10.913 -2.299 9.981 1.00 1.14 H new ATOM 0 HD2 ARG A 116 11.044 0.726 10.310 1.00 1.65 H new ATOM 0 HD3 ARG A 116 11.376 -0.468 11.549 1.00 1.65 H new ATOM 0 HE ARG A 116 13.209 -1.234 9.758 1.00 2.40 H new ATOM 0 HH11 ARG A 116 12.285 2.013 10.803 1.00 3.61 H new ATOM 0 HH12 ARG A 116 13.863 2.708 10.417 1.00 3.61 H new ATOM 0 HH21 ARG A 116 15.224 -0.333 9.259 1.00 4.21 H new ATOM 0 HH22 ARG A 116 15.520 1.385 9.547 1.00 4.21 H new ATOM 1589 N TRP A 117 7.809 -1.342 6.952 1.00 0.31 N ATOM 1590 CA TRP A 117 6.356 -1.313 7.075 1.00 0.32 C ATOM 1591 C TRP A 117 5.738 -2.561 6.463 1.00 0.30 C ATOM 1592 O TRP A 117 4.805 -3.138 7.021 1.00 0.36 O ATOM 1593 CB TRP A 117 5.773 -0.053 6.433 1.00 0.36 C ATOM 1594 CG TRP A 117 6.122 1.199 7.177 1.00 0.40 C ATOM 1595 CD1 TRP A 117 6.715 2.318 6.669 1.00 0.47 C ATOM 1596 CD2 TRP A 117 5.903 1.457 8.570 1.00 0.56 C ATOM 1597 NE1 TRP A 117 6.882 3.254 7.660 1.00 0.53 N ATOM 1598 CE2 TRP A 117 6.393 2.748 8.836 1.00 0.60 C ATOM 1599 CE3 TRP A 117 5.343 0.718 9.618 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 6.336 3.317 10.106 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 5.288 1.283 10.875 1.00 0.98 C ATOM 1602 CH2 TRP A 117 5.781 2.571 11.110 1.00 0.99 C ATOM 0 H TRP A 117 8.197 -0.639 6.322 1.00 0.31 H new ATOM 0 HA TRP A 117 6.111 -1.294 8.137 1.00 0.32 H new ATOM 0 HB2 TRP A 117 6.136 0.027 5.408 1.00 0.36 H new ATOM 0 HB3 TRP A 117 4.688 -0.147 6.381 1.00 0.36 H new ATOM 0 HD1 TRP A 117 7.010 2.449 5.638 1.00 0.47 H new ATOM 0 HE1 TRP A 117 7.302 4.176 7.540 1.00 0.53 H new ATOM 0 HE3 TRP A 117 4.961 -0.277 9.446 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 6.716 4.311 10.292 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 4.857 0.722 11.691 1.00 0.98 H new ATOM 0 HH2 TRP A 117 5.722 2.986 12.106 1.00 0.99 H new ATOM 1613 N ILE A 118 6.267 -2.983 5.320 1.00 0.29 N ATOM 1614 CA ILE A 118 5.836 -4.225 4.692 1.00 0.32 C ATOM 1615 C ILE A 118 6.140 -5.407 5.611 1.00 0.36 C ATOM 1616 O ILE A 118 5.335 -6.330 5.746 1.00 0.40 O ATOM 1617 CB ILE A 118 6.525 -4.435 3.324 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.126 -3.319 2.354 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.169 -5.799 2.742 1.00 0.51 C ATOM 1620 CD1 ILE A 118 6.838 -3.387 1.018 1.00 0.57 C ATOM 0 H ILE A 118 6.995 -2.483 4.810 1.00 0.29 H new ATOM 0 HA ILE A 118 4.761 -4.160 4.523 1.00 0.32 H new ATOM 0 HB ILE A 118 7.604 -4.401 3.473 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.050 -3.365 2.185 1.00 0.44 H new ATOM 0 HG13 ILE A 118 6.335 -2.355 2.818 1.00 0.44 H new ATOM 0 HG21 ILE A 118 6.665 -5.925 1.780 1.00 0.51 H new ATOM 0 HG22 ILE A 118 6.497 -6.583 3.425 1.00 0.51 H new ATOM 0 HG23 ILE A 118 5.090 -5.866 2.605 1.00 0.51 H new ATOM 0 HD11 ILE A 118 6.504 -2.565 0.385 1.00 0.57 H new ATOM 0 HD12 ILE A 118 7.914 -3.310 1.175 1.00 0.57 H new ATOM 0 HD13 ILE A 118 6.609 -4.335 0.532 1.00 0.57 H new ATOM 1632 N LYS A 119 7.298 -5.354 6.255 1.00 0.41 N ATOM 1633 CA LYS A 119 7.715 -6.377 7.206 1.00 0.53 C ATOM 1634 C LYS A 119 6.714 -6.506 8.355 1.00 0.55 C ATOM 1635 O LYS A 119 6.308 -7.612 8.720 1.00 0.67 O ATOM 1636 CB LYS A 119 9.103 -6.029 7.751 1.00 0.63 C ATOM 1637 CG LYS A 119 9.615 -6.985 8.810 1.00 1.09 C ATOM 1638 CD LYS A 119 11.004 -6.594 9.280 1.00 1.34 C ATOM 1639 CE LYS A 119 11.456 -7.450 10.449 1.00 2.05 C ATOM 1640 NZ LYS A 119 10.608 -7.242 11.652 1.00 2.66 N ATOM 0 H LYS A 119 7.975 -4.601 6.133 1.00 0.41 H new ATOM 0 HA LYS A 119 7.754 -7.336 6.690 1.00 0.53 H new ATOM 0 HB2 LYS A 119 9.811 -6.010 6.923 1.00 0.63 H new ATOM 0 HB3 LYS A 119 9.074 -5.023 8.170 1.00 0.63 H new ATOM 0 HG2 LYS A 119 8.930 -6.992 9.658 1.00 1.09 H new ATOM 0 HG3 LYS A 119 9.636 -7.998 8.409 1.00 1.09 H new ATOM 0 HD2 LYS A 119 11.711 -6.698 8.457 1.00 1.34 H new ATOM 0 HD3 LYS A 119 11.008 -5.544 9.573 1.00 1.34 H new ATOM 0 HE2 LYS A 119 11.426 -8.501 10.162 1.00 2.05 H new ATOM 0 HE3 LYS A 119 12.493 -7.215 10.691 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 11.102 -7.606 12.492 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 10.421 -6.226 11.774 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 9.707 -7.748 11.533 1.00 2.66 H new ATOM 1654 N GLU A 120 6.312 -5.373 8.915 1.00 0.51 N ATOM 1655 CA GLU A 120 5.356 -5.360 10.017 1.00 0.63 C ATOM 1656 C GLU A 120 3.966 -5.767 9.523 1.00 0.60 C ATOM 1657 O GLU A 120 3.155 -6.310 10.274 1.00 0.79 O ATOM 1658 CB GLU A 120 5.304 -3.966 10.650 1.00 0.71 C ATOM 1659 CG GLU A 120 4.541 -3.919 11.964 1.00 1.43 C ATOM 1660 CD GLU A 120 4.438 -2.518 12.530 1.00 1.83 C ATOM 1661 OE1 GLU A 120 5.411 -2.049 13.159 1.00 2.48 O ATOM 1662 OE2 GLU A 120 3.380 -1.881 12.356 1.00 2.33 O ATOM 0 H GLU A 120 6.633 -4.449 8.625 1.00 0.51 H new ATOM 0 HA GLU A 120 5.681 -6.079 10.769 1.00 0.63 H new ATOM 0 HB2 GLU A 120 6.322 -3.615 10.819 1.00 0.71 H new ATOM 0 HB3 GLU A 120 4.841 -3.274 9.946 1.00 0.71 H new ATOM 0 HG2 GLU A 120 3.539 -4.320 11.812 1.00 1.43 H new ATOM 0 HG3 GLU A 120 5.036 -4.564 12.690 1.00 1.43 H new ATOM 1669 N PHE A 121 3.711 -5.507 8.252 1.00 0.44 N ATOM 1670 CA PHE A 121 2.428 -5.817 7.632 1.00 0.43 C ATOM 1671 C PHE A 121 2.288 -7.310 7.345 1.00 0.46 C ATOM 1672 O PHE A 121 1.252 -7.914 7.631 1.00 0.54 O ATOM 1673 CB PHE A 121 2.292 -5.007 6.340 1.00 0.38 C ATOM 1674 CG PHE A 121 1.105 -5.360 5.491 1.00 0.43 C ATOM 1675 CD1 PHE A 121 -0.141 -5.568 6.057 1.00 1.37 C ATOM 1676 CD2 PHE A 121 1.238 -5.460 4.115 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -1.230 -5.871 5.269 1.00 1.43 C ATOM 1678 CE2 PHE A 121 0.151 -5.767 3.322 1.00 1.23 C ATOM 1679 CZ PHE A 121 -1.084 -5.970 3.900 1.00 0.67 C ATOM 0 H PHE A 121 4.385 -5.076 7.619 1.00 0.44 H new ATOM 0 HA PHE A 121 1.630 -5.548 8.324 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.234 -3.949 6.597 1.00 0.38 H new ATOM 0 HB3 PHE A 121 3.197 -5.142 5.747 1.00 0.38 H new ATOM 0 HD1 PHE A 121 -0.261 -5.492 7.128 1.00 1.37 H new ATOM 0 HD2 PHE A 121 2.203 -5.296 3.658 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -2.197 -6.031 5.722 1.00 1.43 H new ATOM 0 HE2 PHE A 121 0.268 -5.848 2.251 1.00 1.23 H new ATOM 0 HZ PHE A 121 -1.937 -6.206 3.282 1.00 0.67 H new ATOM 1689 N SER A 122 3.338 -7.902 6.798 1.00 0.44 N ATOM 1690 CA SER A 122 3.298 -9.291 6.354 1.00 0.50 C ATOM 1691 C SER A 122 3.134 -10.257 7.527 1.00 0.58 C ATOM 1692 O SER A 122 2.600 -11.356 7.369 1.00 0.80 O ATOM 1693 CB SER A 122 4.577 -9.622 5.586 1.00 0.57 C ATOM 1694 OG SER A 122 4.818 -8.671 4.560 1.00 1.31 O ATOM 0 H SER A 122 4.235 -7.440 6.649 1.00 0.44 H new ATOM 0 HA SER A 122 2.432 -9.409 5.703 1.00 0.50 H new ATOM 0 HB2 SER A 122 5.423 -9.642 6.273 1.00 0.57 H new ATOM 0 HB3 SER A 122 4.496 -10.618 5.151 1.00 0.57 H new ATOM 0 HG SER A 122 5.224 -7.867 4.948 1.00 1.31 H new ATOM 1700 N GLU A 123 3.583 -9.841 8.702 1.00 0.63 N ATOM 1701 CA GLU A 123 3.558 -10.706 9.874 1.00 0.81 C ATOM 1702 C GLU A 123 2.434 -10.307 10.828 1.00 0.92 C ATOM 1703 O GLU A 123 2.499 -10.583 12.027 1.00 1.44 O ATOM 1704 CB GLU A 123 4.904 -10.641 10.598 1.00 1.25 C ATOM 1705 CG GLU A 123 6.097 -10.959 9.708 1.00 1.57 C ATOM 1706 CD GLU A 123 6.057 -12.365 9.143 1.00 1.91 C ATOM 1707 OE1 GLU A 123 5.638 -12.534 7.979 1.00 2.53 O ATOM 1708 OE2 GLU A 123 6.452 -13.307 9.860 1.00 2.37 O ATOM 0 H GLU A 123 3.969 -8.912 8.870 1.00 0.63 H new ATOM 0 HA GLU A 123 3.375 -11.727 9.540 1.00 0.81 H new ATOM 0 HB2 GLU A 123 5.032 -9.643 11.018 1.00 1.25 H new ATOM 0 HB3 GLU A 123 4.890 -11.340 11.434 1.00 1.25 H new ATOM 0 HG2 GLU A 123 6.131 -10.244 8.886 1.00 1.57 H new ATOM 0 HG3 GLU A 123 7.015 -10.830 10.281 1.00 1.57 H new