USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 839 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 Single : A 4 LYS NZ :NH3+ 171:sc= -0.0242 (180deg=-0.112) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0302 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= 0.227 (180deg=0.11) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= 2.23 (180deg=1.4) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -152:sc= -0.132 (180deg=-1.79!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -110:sc= 0.588 (180deg=-0.479) USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= 0.532 (180deg=0.187) USER MOD Single : A 47 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.0057) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= 0.666 (180deg=0.434) USER MOD Single : A 51 SER OG : rot 69:sc= 1.16 USER MOD Single : A 52 GLN : amide:sc= -1.25 K(o=-1.3,f=-3.5!) USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= 1.51 (180deg=1.14) USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00998) USER MOD Single : A 67 LYS NZ :NH3+ -123:sc= 0.115 (180deg=0.0812) USER MOD Single : A 71 LYS NZ :NH3+ 179:sc= 0.762 (180deg=0.758) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.0528 K(o=-0.053,f=-0.96) USER MOD Single : A 83 LYS NZ :NH3+ 125:sc= 0.587 (180deg=0.308) USER MOD Single : A 85 THR OG1 : rot 74:sc= 0.296 USER MOD Single : A 89 GLN : amide:sc= 0.278 K(o=0.28,f=-5.5!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0.406 X(o=0.41,f=-0.029) USER MOD Single : A 98 LYS NZ :NH3+ -144:sc= 1.06 (180deg=0.158) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 0.672 9.195 -9.904 1.00 44.33 N ATOM 39 CA LYS A 4 1.450 8.730 -8.748 1.00 63.43 C ATOM 40 C LYS A 4 0.670 7.627 -8.038 1.00 13.01 C ATOM 41 O LYS A 4 -0.567 7.672 -7.978 1.00 52.51 O ATOM 42 CB LYS A 4 1.797 9.888 -7.765 1.00 62.03 C ATOM 43 CG LYS A 4 2.589 9.441 -6.505 1.00 43.44 C ATOM 44 CD LYS A 4 3.144 10.624 -5.683 1.00 23.43 C ATOM 45 CE LYS A 4 2.054 11.553 -5.133 1.00 51.22 C ATOM 46 NZ LYS A 4 2.638 12.656 -4.328 1.00 52.44 N ATOM 0 HA LYS A 4 2.401 8.338 -9.108 1.00 63.43 H new ATOM 0 HB2 LYS A 4 2.379 10.639 -8.298 1.00 62.03 H new ATOM 0 HB3 LYS A 4 0.872 10.368 -7.447 1.00 62.03 H new ATOM 0 HG2 LYS A 4 1.939 8.839 -5.870 1.00 43.44 H new ATOM 0 HG3 LYS A 4 3.416 8.801 -6.812 1.00 43.44 H new ATOM 0 HD2 LYS A 4 3.731 10.234 -4.852 1.00 23.43 H new ATOM 0 HD3 LYS A 4 3.823 11.204 -6.309 1.00 23.43 H new ATOM 0 HE2 LYS A 4 1.478 11.969 -5.959 1.00 51.22 H new ATOM 0 HE3 LYS A 4 1.361 10.979 -4.518 1.00 51.22 H new ATOM 0 HZ1 LYS A 4 1.897 13.349 -4.099 1.00 52.44 H new ATOM 0 HZ2 LYS A 4 3.036 12.270 -3.448 1.00 52.44 H new ATOM 0 HZ3 LYS A 4 3.391 13.123 -4.873 1.00 52.44 H new ATOM 60 N ILE A 5 1.394 6.613 -7.542 1.00 41.31 N ATOM 61 CA ILE A 5 0.812 5.538 -6.738 1.00 2.22 C ATOM 62 C ILE A 5 1.568 5.413 -5.405 1.00 40.43 C ATOM 63 O ILE A 5 2.772 5.695 -5.317 1.00 53.13 O ATOM 64 CB ILE A 5 0.788 4.153 -7.495 1.00 72.14 C ATOM 65 CG1 ILE A 5 2.227 3.577 -7.716 1.00 50.32 C ATOM 66 CG2 ILE A 5 0.034 4.278 -8.844 1.00 71.41 C ATOM 67 CD1 ILE A 5 2.274 2.186 -8.336 1.00 11.24 C ATOM 0 H ILE A 5 2.399 6.519 -7.689 1.00 41.31 H new ATOM 0 HA ILE A 5 -0.227 5.804 -6.545 1.00 2.22 H new ATOM 0 HB ILE A 5 0.253 3.448 -6.860 1.00 72.14 H new ATOM 0 HG12 ILE A 5 2.783 4.263 -8.356 1.00 50.32 H new ATOM 0 HG13 ILE A 5 2.742 3.548 -6.756 1.00 50.32 H new ATOM 0 HG21 ILE A 5 0.029 3.312 -9.349 1.00 71.41 H new ATOM 0 HG22 ILE A 5 -0.992 4.596 -8.659 1.00 71.41 H new ATOM 0 HG23 ILE A 5 0.534 5.014 -9.473 1.00 71.41 H new ATOM 0 HD11 ILE A 5 3.312 1.873 -8.450 1.00 11.24 H new ATOM 0 HD12 ILE A 5 1.751 1.481 -7.689 1.00 11.24 H new ATOM 0 HD13 ILE A 5 1.792 2.207 -9.314 1.00 11.24 H new ATOM 79 N ILE A 6 0.831 5.018 -4.363 1.00 44.30 N ATOM 80 CA ILE A 6 1.385 4.763 -3.026 1.00 35.23 C ATOM 81 C ILE A 6 1.161 3.298 -2.678 1.00 34.52 C ATOM 82 O ILE A 6 0.028 2.854 -2.618 1.00 24.23 O ATOM 83 CB ILE A 6 0.705 5.669 -1.939 1.00 11.10 C ATOM 84 CG1 ILE A 6 0.938 7.178 -2.241 1.00 12.41 C ATOM 85 CG2 ILE A 6 1.175 5.304 -0.515 1.00 51.52 C ATOM 86 CD1 ILE A 6 2.383 7.644 -2.247 1.00 65.34 C ATOM 0 H ILE A 6 -0.176 4.864 -4.422 1.00 44.30 H new ATOM 0 HA ILE A 6 2.449 4.998 -3.038 1.00 35.23 H new ATOM 0 HB ILE A 6 -0.368 5.481 -1.983 1.00 11.10 H new ATOM 0 HG12 ILE A 6 0.501 7.404 -3.213 1.00 12.41 H new ATOM 0 HG13 ILE A 6 0.392 7.764 -1.502 1.00 12.41 H new ATOM 0 HG21 ILE A 6 0.682 5.953 0.208 1.00 51.52 H new ATOM 0 HG22 ILE A 6 0.921 4.265 -0.303 1.00 51.52 H new ATOM 0 HG23 ILE A 6 2.255 5.435 -0.443 1.00 51.52 H new ATOM 0 HD11 ILE A 6 2.420 8.711 -2.469 1.00 65.34 H new ATOM 0 HD12 ILE A 6 2.828 7.461 -1.269 1.00 65.34 H new ATOM 0 HD13 ILE A 6 2.939 7.096 -3.008 1.00 65.34 H new ATOM 98 N VAL A 7 2.243 2.569 -2.430 1.00 14.25 N ATOM 99 CA VAL A 7 2.177 1.148 -2.083 1.00 23.31 C ATOM 100 C VAL A 7 2.449 1.002 -0.581 1.00 70.01 C ATOM 101 O VAL A 7 3.549 1.301 -0.111 1.00 75.53 O ATOM 102 CB VAL A 7 3.183 0.278 -2.916 1.00 31.02 C ATOM 103 CG1 VAL A 7 2.981 -1.217 -2.594 1.00 33.00 C ATOM 104 CG2 VAL A 7 3.038 0.552 -4.436 1.00 13.33 C ATOM 0 H VAL A 7 3.191 2.943 -2.463 1.00 14.25 H new ATOM 0 HA VAL A 7 1.181 0.778 -2.327 1.00 23.31 H new ATOM 0 HB VAL A 7 4.198 0.557 -2.634 1.00 31.02 H new ATOM 0 HG11 VAL A 7 3.683 -1.813 -3.177 1.00 33.00 H new ATOM 0 HG12 VAL A 7 3.155 -1.387 -1.532 1.00 33.00 H new ATOM 0 HG13 VAL A 7 1.961 -1.509 -2.846 1.00 33.00 H new ATOM 0 HG21 VAL A 7 3.748 -0.065 -4.986 1.00 13.33 H new ATOM 0 HG22 VAL A 7 2.024 0.310 -4.754 1.00 13.33 H new ATOM 0 HG23 VAL A 7 3.240 1.604 -4.637 1.00 13.33 H new ATOM 114 N ILE A 8 1.440 0.544 0.166 1.00 10.12 N ATOM 115 CA ILE A 8 1.507 0.452 1.625 1.00 21.14 C ATOM 116 C ILE A 8 1.711 -1.006 2.035 1.00 13.42 C ATOM 117 O ILE A 8 0.984 -1.896 1.593 1.00 3.50 O ATOM 118 CB ILE A 8 0.215 1.031 2.307 1.00 20.33 C ATOM 119 CG1 ILE A 8 0.027 2.529 1.901 1.00 52.01 C ATOM 120 CG2 ILE A 8 0.262 0.858 3.850 1.00 64.11 C ATOM 121 CD1 ILE A 8 -1.076 3.263 2.621 1.00 22.53 C ATOM 0 H ILE A 8 0.553 0.227 -0.226 1.00 10.12 H new ATOM 0 HA ILE A 8 2.351 1.053 1.964 1.00 21.14 H new ATOM 0 HB ILE A 8 -0.648 0.467 1.954 1.00 20.33 H new ATOM 0 HG12 ILE A 8 0.965 3.055 2.077 1.00 52.01 H new ATOM 0 HG13 ILE A 8 -0.169 2.575 0.830 1.00 52.01 H new ATOM 0 HG21 ILE A 8 -0.647 1.269 4.290 1.00 64.11 H new ATOM 0 HG22 ILE A 8 0.337 -0.201 4.095 1.00 64.11 H new ATOM 0 HG23 ILE A 8 1.129 1.385 4.249 1.00 64.11 H new ATOM 0 HD11 ILE A 8 -1.121 4.292 2.265 1.00 22.53 H new ATOM 0 HD12 ILE A 8 -2.028 2.770 2.426 1.00 22.53 H new ATOM 0 HD13 ILE A 8 -0.877 3.258 3.693 1.00 22.53 H new ATOM 133 N ILE A 9 2.689 -1.215 2.909 1.00 70.25 N ATOM 134 CA ILE A 9 3.019 -2.508 3.475 1.00 24.53 C ATOM 135 C ILE A 9 2.145 -2.643 4.731 1.00 21.42 C ATOM 136 O ILE A 9 2.538 -2.224 5.824 1.00 12.13 O ATOM 137 CB ILE A 9 4.564 -2.624 3.819 1.00 72.04 C ATOM 138 CG1 ILE A 9 5.475 -2.502 2.538 1.00 20.43 C ATOM 139 CG2 ILE A 9 4.869 -3.943 4.570 1.00 54.31 C ATOM 140 CD1 ILE A 9 5.576 -1.123 1.890 1.00 12.15 C ATOM 0 H ILE A 9 3.289 -0.464 3.250 1.00 70.25 H new ATOM 0 HA ILE A 9 2.824 -3.313 2.766 1.00 24.53 H new ATOM 0 HB ILE A 9 4.802 -1.784 4.471 1.00 72.04 H new ATOM 0 HG12 ILE A 9 6.481 -2.826 2.805 1.00 20.43 H new ATOM 0 HG13 ILE A 9 5.103 -3.202 1.790 1.00 20.43 H new ATOM 0 HG21 ILE A 9 5.935 -3.997 4.793 1.00 54.31 H new ATOM 0 HG22 ILE A 9 4.301 -3.972 5.500 1.00 54.31 H new ATOM 0 HG23 ILE A 9 4.586 -4.791 3.946 1.00 54.31 H new ATOM 0 HD11 ILE A 9 6.231 -1.177 1.021 1.00 12.15 H new ATOM 0 HD12 ILE A 9 4.585 -0.794 1.577 1.00 12.15 H new ATOM 0 HD13 ILE A 9 5.984 -0.412 2.609 1.00 12.15 H new ATOM 152 N SER A 10 0.908 -3.130 4.541 1.00 73.53 N ATOM 153 CA SER A 10 -0.092 -3.187 5.611 1.00 75.43 C ATOM 154 C SER A 10 0.216 -4.373 6.536 1.00 54.53 C ATOM 155 O SER A 10 0.033 -5.547 6.163 1.00 5.20 O ATOM 156 CB SER A 10 -1.513 -3.279 5.019 1.00 42.22 C ATOM 157 OG SER A 10 -2.510 -3.249 6.029 1.00 32.23 O ATOM 0 H SER A 10 0.578 -3.492 3.646 1.00 73.53 H new ATOM 0 HA SER A 10 -0.048 -2.272 6.201 1.00 75.43 H new ATOM 0 HB2 SER A 10 -1.672 -2.452 4.327 1.00 42.22 H new ATOM 0 HB3 SER A 10 -1.607 -4.199 4.443 1.00 42.22 H new ATOM 0 HG SER A 10 -3.397 -3.308 5.615 1.00 32.23 H new ATOM 163 N SER A 11 0.757 -4.041 7.715 1.00 52.04 N ATOM 164 CA SER A 11 1.071 -4.993 8.779 1.00 10.11 C ATOM 165 C SER A 11 -0.194 -5.350 9.607 1.00 22.10 C ATOM 166 O SER A 11 -1.322 -5.286 9.093 1.00 32.42 O ATOM 167 CB SER A 11 2.187 -4.355 9.641 1.00 11.50 C ATOM 168 OG SER A 11 1.816 -3.050 10.086 1.00 64.34 O ATOM 0 H SER A 11 0.993 -3.079 7.958 1.00 52.04 H new ATOM 0 HA SER A 11 1.421 -5.940 8.368 1.00 10.11 H new ATOM 0 HB2 SER A 11 2.393 -4.991 10.502 1.00 11.50 H new ATOM 0 HB3 SER A 11 3.108 -4.296 9.061 1.00 11.50 H new ATOM 0 HG SER A 11 2.539 -2.672 10.629 1.00 64.34 H new ATOM 174 N ASP A 12 0.016 -5.746 10.881 1.00 13.13 N ATOM 175 CA ASP A 12 -1.049 -6.201 11.802 1.00 54.45 C ATOM 176 C ASP A 12 -2.123 -5.126 12.044 1.00 63.32 C ATOM 177 O ASP A 12 -3.286 -5.451 12.285 1.00 75.13 O ATOM 178 CB ASP A 12 -0.435 -6.615 13.167 1.00 0.32 C ATOM 179 CG ASP A 12 0.722 -7.611 13.020 1.00 71.10 C ATOM 180 OD1 ASP A 12 0.471 -8.835 12.980 1.00 55.21 O ATOM 181 OD2 ASP A 12 1.891 -7.169 12.923 1.00 23.42 O ATOM 0 H ASP A 12 0.944 -5.759 11.305 1.00 13.13 H new ATOM 0 HA ASP A 12 -1.530 -7.054 11.324 1.00 54.45 H new ATOM 0 HB2 ASP A 12 -0.078 -5.725 13.685 1.00 0.32 H new ATOM 0 HB3 ASP A 12 -1.212 -7.057 13.791 1.00 0.32 H new ATOM 186 N ASP A 13 -1.717 -3.848 11.964 1.00 33.12 N ATOM 187 CA ASP A 13 -2.569 -2.705 12.342 1.00 44.34 C ATOM 188 C ASP A 13 -3.501 -2.280 11.202 1.00 41.13 C ATOM 189 O ASP A 13 -3.172 -2.416 10.015 1.00 63.34 O ATOM 190 CB ASP A 13 -1.712 -1.497 12.791 1.00 11.42 C ATOM 191 CG ASP A 13 -0.804 -1.813 13.989 1.00 44.44 C ATOM 192 OD1 ASP A 13 -1.307 -1.879 15.129 1.00 42.23 O ATOM 193 OD2 ASP A 13 0.414 -1.987 13.793 1.00 64.44 O ATOM 0 H ASP A 13 -0.790 -3.577 11.636 1.00 33.12 H new ATOM 0 HA ASP A 13 -3.185 -3.038 13.178 1.00 44.34 H new ATOM 0 HB2 ASP A 13 -1.097 -1.165 11.955 1.00 11.42 H new ATOM 0 HB3 ASP A 13 -2.371 -0.669 13.051 1.00 11.42 H new ATOM 198 N THR A 14 -4.659 -1.739 11.605 1.00 70.41 N ATOM 199 CA THR A 14 -5.692 -1.204 10.704 1.00 21.14 C ATOM 200 C THR A 14 -5.463 0.299 10.419 1.00 31.45 C ATOM 201 O THR A 14 -6.047 0.859 9.482 1.00 74.12 O ATOM 202 CB THR A 14 -7.110 -1.465 11.321 1.00 3.44 C ATOM 203 OG1 THR A 14 -7.260 -2.880 11.542 1.00 65.34 O ATOM 204 CG2 THR A 14 -8.268 -0.982 10.427 1.00 64.24 C ATOM 0 H THR A 14 -4.910 -1.659 12.590 1.00 70.41 H new ATOM 0 HA THR A 14 -5.629 -1.719 9.746 1.00 21.14 H new ATOM 0 HB THR A 14 -7.165 -0.896 12.249 1.00 3.44 H new ATOM 0 HG1 THR A 14 -8.142 -3.059 11.929 1.00 65.34 H new ATOM 0 HG21 THR A 14 -9.219 -1.195 10.916 1.00 64.24 H new ATOM 0 HG22 THR A 14 -8.177 0.092 10.262 1.00 64.24 H new ATOM 0 HG23 THR A 14 -8.229 -1.501 9.469 1.00 64.24 H new ATOM 212 N THR A 15 -4.596 0.940 11.222 1.00 63.33 N ATOM 213 CA THR A 15 -4.192 2.342 11.023 1.00 40.10 C ATOM 214 C THR A 15 -3.654 2.588 9.583 1.00 12.41 C ATOM 215 O THR A 15 -3.963 3.602 8.966 1.00 71.14 O ATOM 216 CB THR A 15 -3.137 2.759 12.101 1.00 44.45 C ATOM 217 OG1 THR A 15 -3.599 2.359 13.411 1.00 44.04 O ATOM 218 CG2 THR A 15 -2.887 4.280 12.107 1.00 32.10 C ATOM 0 H THR A 15 -4.155 0.499 12.029 1.00 63.33 H new ATOM 0 HA THR A 15 -5.076 2.968 11.143 1.00 40.10 H new ATOM 0 HB THR A 15 -2.201 2.260 11.852 1.00 44.45 H new ATOM 0 HG1 THR A 15 -2.937 2.619 14.085 1.00 44.04 H new ATOM 0 HG21 THR A 15 -2.148 4.524 12.870 1.00 32.10 H new ATOM 0 HG22 THR A 15 -2.516 4.592 11.130 1.00 32.10 H new ATOM 0 HG23 THR A 15 -3.819 4.801 12.325 1.00 32.10 H new ATOM 226 N LEU A 16 -2.955 1.588 9.017 1.00 51.02 N ATOM 227 CA LEU A 16 -2.369 1.698 7.659 1.00 64.22 C ATOM 228 C LEU A 16 -3.480 1.633 6.587 1.00 31.31 C ATOM 229 O LEU A 16 -3.366 2.257 5.529 1.00 2.24 O ATOM 230 CB LEU A 16 -1.292 0.601 7.401 1.00 61.33 C ATOM 231 CG LEU A 16 -0.038 0.618 8.353 1.00 4.51 C ATOM 232 CD1 LEU A 16 -0.362 0.029 9.740 1.00 32.32 C ATOM 233 CD2 LEU A 16 1.168 -0.097 7.712 1.00 31.41 C ATOM 0 H LEU A 16 -2.779 0.693 9.474 1.00 51.02 H new ATOM 0 HA LEU A 16 -1.870 2.665 7.593 1.00 64.22 H new ATOM 0 HB2 LEU A 16 -1.771 -0.375 7.483 1.00 61.33 H new ATOM 0 HB3 LEU A 16 -0.943 0.699 6.373 1.00 61.33 H new ATOM 0 HG LEU A 16 0.236 1.663 8.500 1.00 4.51 H new ATOM 0 HD11 LEU A 16 0.530 0.060 10.366 1.00 32.32 H new ATOM 0 HD12 LEU A 16 -1.154 0.614 10.208 1.00 32.32 H new ATOM 0 HD13 LEU A 16 -0.692 -1.004 9.629 1.00 32.32 H new ATOM 0 HD21 LEU A 16 2.015 -0.066 8.397 1.00 31.41 H new ATOM 0 HD22 LEU A 16 0.907 -1.135 7.504 1.00 31.41 H new ATOM 0 HD23 LEU A 16 1.435 0.404 6.781 1.00 31.41 H new ATOM 245 N GLU A 17 -4.565 0.900 6.914 1.00 15.23 N ATOM 246 CA GLU A 17 -5.737 0.711 6.036 1.00 30.01 C ATOM 247 C GLU A 17 -6.567 2.012 5.931 1.00 43.02 C ATOM 248 O GLU A 17 -6.955 2.423 4.826 1.00 14.43 O ATOM 249 CB GLU A 17 -6.634 -0.433 6.590 1.00 21.05 C ATOM 250 CG GLU A 17 -5.949 -1.814 6.712 1.00 52.05 C ATOM 251 CD GLU A 17 -6.842 -2.876 7.390 1.00 62.54 C ATOM 252 OE1 GLU A 17 -7.994 -3.086 6.944 1.00 65.44 O ATOM 253 OE2 GLU A 17 -6.406 -3.513 8.373 1.00 65.41 O ATOM 0 H GLU A 17 -4.652 0.416 7.808 1.00 15.23 H new ATOM 0 HA GLU A 17 -5.377 0.448 5.041 1.00 30.01 H new ATOM 0 HB2 GLU A 17 -7.000 -0.140 7.574 1.00 21.05 H new ATOM 0 HB3 GLU A 17 -7.505 -0.534 5.943 1.00 21.05 H new ATOM 0 HG2 GLU A 17 -5.670 -2.164 5.718 1.00 52.05 H new ATOM 0 HG3 GLU A 17 -5.026 -1.706 7.282 1.00 52.05 H new ATOM 260 N GLU A 18 -6.834 2.652 7.095 1.00 55.12 N ATOM 261 CA GLU A 18 -7.675 3.871 7.162 1.00 52.25 C ATOM 262 C GLU A 18 -6.965 5.075 6.506 1.00 71.25 C ATOM 263 O GLU A 18 -7.599 5.866 5.795 1.00 2.14 O ATOM 264 CB GLU A 18 -8.085 4.203 8.629 1.00 12.03 C ATOM 265 CG GLU A 18 -6.903 4.487 9.574 1.00 33.12 C ATOM 266 CD GLU A 18 -7.307 4.905 10.994 1.00 4.45 C ATOM 267 OE1 GLU A 18 -7.667 4.029 11.799 1.00 54.32 O ATOM 268 OE2 GLU A 18 -7.260 6.109 11.309 1.00 64.52 O ATOM 0 H GLU A 18 -6.479 2.344 8.000 1.00 55.12 H new ATOM 0 HA GLU A 18 -8.587 3.668 6.600 1.00 52.25 H new ATOM 0 HB2 GLU A 18 -8.744 5.071 8.621 1.00 12.03 H new ATOM 0 HB3 GLU A 18 -8.661 3.369 9.029 1.00 12.03 H new ATOM 0 HG2 GLU A 18 -6.281 3.594 9.635 1.00 33.12 H new ATOM 0 HG3 GLU A 18 -6.288 5.275 9.139 1.00 33.12 H new ATOM 275 N LEU A 19 -5.639 5.189 6.736 1.00 33.30 N ATOM 276 CA LEU A 19 -4.823 6.272 6.156 1.00 24.40 C ATOM 277 C LEU A 19 -4.712 6.105 4.632 1.00 63.31 C ATOM 278 O LEU A 19 -4.756 7.093 3.903 1.00 44.12 O ATOM 279 CB LEU A 19 -3.421 6.306 6.820 1.00 34.33 C ATOM 280 CG LEU A 19 -3.417 6.530 8.371 1.00 72.22 C ATOM 281 CD1 LEU A 19 -1.996 6.367 8.951 1.00 30.32 C ATOM 282 CD2 LEU A 19 -4.051 7.885 8.759 1.00 1.33 C ATOM 0 H LEU A 19 -5.112 4.541 7.321 1.00 33.30 H new ATOM 0 HA LEU A 19 -5.313 7.225 6.354 1.00 24.40 H new ATOM 0 HB2 LEU A 19 -2.913 5.366 6.604 1.00 34.33 H new ATOM 0 HB3 LEU A 19 -2.836 7.099 6.354 1.00 34.33 H new ATOM 0 HG LEU A 19 -4.042 5.757 8.818 1.00 72.22 H new ATOM 0 HD11 LEU A 19 -2.022 6.528 10.029 1.00 30.32 H new ATOM 0 HD12 LEU A 19 -1.631 5.361 8.743 1.00 30.32 H new ATOM 0 HD13 LEU A 19 -1.330 7.097 8.491 1.00 30.32 H new ATOM 0 HD21 LEU A 19 -4.028 8.000 9.843 1.00 1.33 H new ATOM 0 HD22 LEU A 19 -3.489 8.696 8.296 1.00 1.33 H new ATOM 0 HD23 LEU A 19 -5.084 7.916 8.413 1.00 1.33 H new ATOM 294 N ALA A 20 -4.635 4.831 4.179 1.00 70.40 N ATOM 295 CA ALA A 20 -4.515 4.455 2.749 1.00 40.32 C ATOM 296 C ALA A 20 -5.588 5.107 1.868 1.00 4.33 C ATOM 297 O ALA A 20 -5.289 5.647 0.791 1.00 42.24 O ATOM 298 CB ALA A 20 -4.599 2.927 2.605 1.00 43.30 C ATOM 0 H ALA A 20 -4.655 4.025 4.804 1.00 70.40 H new ATOM 0 HA ALA A 20 -3.547 4.821 2.406 1.00 40.32 H new ATOM 0 HB1 ALA A 20 -4.510 2.655 1.553 1.00 43.30 H new ATOM 0 HB2 ALA A 20 -3.790 2.463 3.169 1.00 43.30 H new ATOM 0 HB3 ALA A 20 -5.557 2.577 2.991 1.00 43.30 H new ATOM 304 N ARG A 21 -6.834 5.060 2.359 1.00 72.23 N ATOM 305 CA ARG A 21 -8.000 5.579 1.636 1.00 5.41 C ATOM 306 C ARG A 21 -7.961 7.106 1.558 1.00 72.45 C ATOM 307 O ARG A 21 -8.377 7.703 0.556 1.00 35.35 O ATOM 308 CB ARG A 21 -9.301 5.087 2.322 1.00 54.15 C ATOM 309 CG ARG A 21 -10.581 5.350 1.505 1.00 0.33 C ATOM 310 CD ARG A 21 -11.828 4.702 2.117 1.00 32.04 C ATOM 311 NE ARG A 21 -12.987 4.822 1.210 1.00 41.51 N ATOM 312 CZ ARG A 21 -13.991 3.940 1.123 1.00 43.44 C ATOM 313 NH1 ARG A 21 -14.004 2.846 1.883 1.00 63.50 N ATOM 314 NH2 ARG A 21 -14.978 4.162 0.264 1.00 33.20 N ATOM 0 H ARG A 21 -7.061 4.660 3.270 1.00 72.23 H new ATOM 0 HA ARG A 21 -7.979 5.201 0.614 1.00 5.41 H new ATOM 0 HB2 ARG A 21 -9.217 4.017 2.511 1.00 54.15 H new ATOM 0 HB3 ARG A 21 -9.395 5.576 3.292 1.00 54.15 H new ATOM 0 HG2 ARG A 21 -10.740 6.425 1.425 1.00 0.33 H new ATOM 0 HG3 ARG A 21 -10.442 4.972 0.492 1.00 0.33 H new ATOM 0 HD2 ARG A 21 -11.631 3.650 2.324 1.00 32.04 H new ATOM 0 HD3 ARG A 21 -12.058 5.177 3.071 1.00 32.04 H new ATOM 0 HE ARG A 21 -13.026 5.640 0.602 1.00 41.51 H new ATOM 0 HH11 ARG A 21 -13.244 2.673 2.540 1.00 63.50 H new ATOM 0 HH12 ARG A 21 -14.774 2.182 1.808 1.00 63.50 H new ATOM 0 HH21 ARG A 21 -14.967 4.997 -0.321 1.00 33.20 H new ATOM 0 HH22 ARG A 21 -15.748 3.497 0.189 1.00 33.20 H new ATOM 328 N LYS A 22 -7.418 7.727 2.616 1.00 50.02 N ATOM 329 CA LYS A 22 -7.361 9.183 2.725 1.00 73.54 C ATOM 330 C LYS A 22 -6.177 9.753 1.909 1.00 2.23 C ATOM 331 O LYS A 22 -6.197 10.924 1.521 1.00 61.35 O ATOM 332 CB LYS A 22 -7.307 9.619 4.221 1.00 10.01 C ATOM 333 CG LYS A 22 -8.038 10.950 4.500 1.00 2.54 C ATOM 334 CD LYS A 22 -9.538 10.897 4.102 1.00 42.20 C ATOM 335 CE LYS A 22 -10.245 12.250 4.258 1.00 64.41 C ATOM 336 NZ LYS A 22 -9.619 13.302 3.411 1.00 21.24 N ATOM 0 H LYS A 22 -7.011 7.234 3.411 1.00 50.02 H new ATOM 0 HA LYS A 22 -8.273 9.600 2.297 1.00 73.54 H new ATOM 0 HB2 LYS A 22 -7.749 8.835 4.836 1.00 10.01 H new ATOM 0 HB3 LYS A 22 -6.265 9.715 4.526 1.00 10.01 H new ATOM 0 HG2 LYS A 22 -7.954 11.192 5.560 1.00 2.54 H new ATOM 0 HG3 LYS A 22 -7.547 11.753 3.950 1.00 2.54 H new ATOM 0 HD2 LYS A 22 -9.623 10.566 3.067 1.00 42.20 H new ATOM 0 HD3 LYS A 22 -10.046 10.154 4.717 1.00 42.20 H new ATOM 0 HE2 LYS A 22 -11.296 12.144 3.989 1.00 64.41 H new ATOM 0 HE3 LYS A 22 -10.213 12.558 5.303 1.00 64.41 H new ATOM 0 HZ1 LYS A 22 -10.220 14.151 3.411 1.00 21.24 H new ATOM 0 HZ2 LYS A 22 -8.681 13.541 3.791 1.00 21.24 H new ATOM 0 HZ3 LYS A 22 -9.518 12.950 2.438 1.00 21.24 H new ATOM 350 N ILE A 23 -5.149 8.920 1.654 1.00 33.24 N ATOM 351 CA ILE A 23 -4.038 9.273 0.748 1.00 24.21 C ATOM 352 C ILE A 23 -4.551 9.412 -0.693 1.00 44.24 C ATOM 353 O ILE A 23 -4.398 10.472 -1.294 1.00 22.43 O ATOM 354 CB ILE A 23 -2.877 8.212 0.810 1.00 13.30 C ATOM 355 CG1 ILE A 23 -2.284 8.126 2.255 1.00 63.34 C ATOM 356 CG2 ILE A 23 -1.773 8.534 -0.237 1.00 42.33 C ATOM 357 CD1 ILE A 23 -1.423 6.906 2.514 1.00 25.03 C ATOM 0 H ILE A 23 -5.065 7.991 2.066 1.00 33.24 H new ATOM 0 HA ILE A 23 -3.633 10.229 1.079 1.00 24.21 H new ATOM 0 HB ILE A 23 -3.292 7.236 0.560 1.00 13.30 H new ATOM 0 HG12 ILE A 23 -1.690 9.020 2.443 1.00 63.34 H new ATOM 0 HG13 ILE A 23 -3.106 8.133 2.971 1.00 63.34 H new ATOM 0 HG21 ILE A 23 -0.982 7.786 -0.174 1.00 42.33 H new ATOM 0 HG22 ILE A 23 -2.205 8.521 -1.237 1.00 42.33 H new ATOM 0 HG23 ILE A 23 -1.356 9.521 -0.035 1.00 42.33 H new ATOM 0 HD11 ILE A 23 -1.056 6.931 3.540 1.00 25.03 H new ATOM 0 HD12 ILE A 23 -2.015 6.004 2.362 1.00 25.03 H new ATOM 0 HD13 ILE A 23 -0.578 6.905 1.826 1.00 25.03 H new ATOM 369 N LYS A 24 -5.190 8.341 -1.228 1.00 1.03 N ATOM 370 CA LYS A 24 -5.714 8.345 -2.617 1.00 10.42 C ATOM 371 C LYS A 24 -6.817 9.396 -2.833 1.00 40.53 C ATOM 372 O LYS A 24 -7.097 9.783 -3.973 1.00 63.44 O ATOM 373 CB LYS A 24 -6.214 6.956 -3.068 1.00 64.43 C ATOM 374 CG LYS A 24 -7.398 6.348 -2.272 1.00 33.21 C ATOM 375 CD LYS A 24 -8.208 5.344 -3.130 1.00 44.32 C ATOM 376 CE LYS A 24 -7.348 4.211 -3.721 1.00 54.41 C ATOM 377 NZ LYS A 24 -8.041 3.535 -4.847 1.00 3.10 N ATOM 0 H LYS A 24 -5.354 7.470 -0.723 1.00 1.03 H new ATOM 0 HA LYS A 24 -4.862 8.617 -3.240 1.00 10.42 H new ATOM 0 HB2 LYS A 24 -6.508 7.024 -4.115 1.00 64.43 H new ATOM 0 HB3 LYS A 24 -5.377 6.260 -3.016 1.00 64.43 H new ATOM 0 HG2 LYS A 24 -7.019 5.844 -1.383 1.00 33.21 H new ATOM 0 HG3 LYS A 24 -8.055 7.147 -1.929 1.00 33.21 H new ATOM 0 HD2 LYS A 24 -8.998 4.909 -2.518 1.00 44.32 H new ATOM 0 HD3 LYS A 24 -8.695 5.882 -3.943 1.00 44.32 H new ATOM 0 HE2 LYS A 24 -6.398 4.617 -4.068 1.00 54.41 H new ATOM 0 HE3 LYS A 24 -7.119 3.483 -2.943 1.00 54.41 H new ATOM 0 HZ1 LYS A 24 -7.351 2.989 -5.402 1.00 3.10 H new ATOM 0 HZ2 LYS A 24 -8.769 2.894 -4.472 1.00 3.10 H new ATOM 0 HZ3 LYS A 24 -8.489 4.248 -5.457 1.00 3.10 H new ATOM 391 N ASP A 25 -7.430 9.830 -1.719 1.00 41.21 N ATOM 392 CA ASP A 25 -8.428 10.917 -1.685 1.00 0.11 C ATOM 393 C ASP A 25 -7.865 12.246 -2.268 1.00 75.45 C ATOM 394 O ASP A 25 -8.624 13.071 -2.775 1.00 10.41 O ATOM 395 CB ASP A 25 -8.900 11.100 -0.222 1.00 42.22 C ATOM 396 CG ASP A 25 -10.005 12.149 -0.042 1.00 70.15 C ATOM 397 OD1 ASP A 25 -11.187 11.834 -0.300 1.00 2.24 O ATOM 398 OD2 ASP A 25 -9.698 13.287 0.364 1.00 44.12 O ATOM 0 H ASP A 25 -7.244 9.429 -0.800 1.00 41.21 H new ATOM 0 HA ASP A 25 -9.274 10.645 -2.317 1.00 0.11 H new ATOM 0 HB2 ASP A 25 -9.260 10.142 0.154 1.00 42.22 H new ATOM 0 HB3 ASP A 25 -8.044 11.382 0.391 1.00 42.22 H new ATOM 403 N GLU A 26 -6.522 12.418 -2.210 1.00 2.52 N ATOM 404 CA GLU A 26 -5.808 13.589 -2.790 1.00 4.24 C ATOM 405 C GLU A 26 -5.782 13.567 -4.349 1.00 13.34 C ATOM 406 O GLU A 26 -5.310 14.527 -4.976 1.00 74.30 O ATOM 407 CB GLU A 26 -4.355 13.656 -2.231 1.00 10.42 C ATOM 408 CG GLU A 26 -4.223 13.958 -0.719 1.00 71.02 C ATOM 409 CD GLU A 26 -4.737 15.360 -0.342 1.00 45.54 C ATOM 410 OE1 GLU A 26 -4.128 16.354 -0.786 1.00 71.41 O ATOM 411 OE2 GLU A 26 -5.752 15.490 0.378 1.00 32.05 O ATOM 0 H GLU A 26 -5.899 11.748 -1.759 1.00 2.52 H new ATOM 0 HA GLU A 26 -6.361 14.481 -2.494 1.00 4.24 H new ATOM 0 HB2 GLU A 26 -3.864 12.705 -2.435 1.00 10.42 H new ATOM 0 HB3 GLU A 26 -3.809 14.421 -2.783 1.00 10.42 H new ATOM 0 HG2 GLU A 26 -4.778 13.209 -0.154 1.00 71.02 H new ATOM 0 HG3 GLU A 26 -3.177 13.869 -0.426 1.00 71.02 H new ATOM 418 N GLY A 27 -6.261 12.464 -4.959 1.00 2.25 N ATOM 419 CA GLY A 27 -6.411 12.354 -6.423 1.00 35.31 C ATOM 420 C GLY A 27 -5.308 11.530 -7.082 1.00 10.20 C ATOM 421 O GLY A 27 -4.868 11.838 -8.201 1.00 41.02 O ATOM 0 H GLY A 27 -6.553 11.628 -4.453 1.00 2.25 H new ATOM 0 HA2 GLY A 27 -7.377 11.903 -6.650 1.00 35.31 H new ATOM 0 HA3 GLY A 27 -6.417 13.354 -6.857 1.00 35.31 H new ATOM 425 N LEU A 28 -4.827 10.510 -6.358 1.00 24.43 N ATOM 426 CA LEU A 28 -3.855 9.512 -6.869 1.00 34.14 C ATOM 427 C LEU A 28 -4.387 8.100 -6.586 1.00 23.10 C ATOM 428 O LEU A 28 -5.449 7.952 -5.987 1.00 40.24 O ATOM 429 CB LEU A 28 -2.442 9.697 -6.236 1.00 33.54 C ATOM 430 CG LEU A 28 -2.331 9.595 -4.676 1.00 63.42 C ATOM 431 CD1 LEU A 28 -0.873 9.379 -4.237 1.00 3.45 C ATOM 432 CD2 LEU A 28 -2.897 10.849 -3.990 1.00 60.44 C ATOM 0 H LEU A 28 -5.100 10.346 -5.389 1.00 24.43 H new ATOM 0 HA LEU A 28 -3.745 9.660 -7.943 1.00 34.14 H new ATOM 0 HB2 LEU A 28 -1.778 8.950 -6.670 1.00 33.54 H new ATOM 0 HB3 LEU A 28 -2.063 10.674 -6.537 1.00 33.54 H new ATOM 0 HG LEU A 28 -2.924 8.733 -4.369 1.00 63.42 H new ATOM 0 HD11 LEU A 28 -0.826 9.312 -3.150 1.00 3.45 H new ATOM 0 HD12 LEU A 28 -0.495 8.455 -4.674 1.00 3.45 H new ATOM 0 HD13 LEU A 28 -0.263 10.217 -4.575 1.00 3.45 H new ATOM 0 HD21 LEU A 28 -2.805 10.745 -2.909 1.00 60.44 H new ATOM 0 HD22 LEU A 28 -2.340 11.726 -4.319 1.00 60.44 H new ATOM 0 HD23 LEU A 28 -3.948 10.966 -4.255 1.00 60.44 H new ATOM 444 N GLU A 29 -3.672 7.060 -7.043 1.00 13.43 N ATOM 445 CA GLU A 29 -4.020 5.656 -6.737 1.00 75.05 C ATOM 446 C GLU A 29 -3.161 5.129 -5.568 1.00 64.43 C ATOM 447 O GLU A 29 -2.044 5.601 -5.352 1.00 44.14 O ATOM 448 CB GLU A 29 -3.831 4.801 -8.027 1.00 12.10 C ATOM 449 CG GLU A 29 -4.248 3.315 -7.918 1.00 73.24 C ATOM 450 CD GLU A 29 -5.683 3.109 -7.395 1.00 71.01 C ATOM 451 OE1 GLU A 29 -6.637 3.597 -8.026 1.00 51.43 O ATOM 452 OE2 GLU A 29 -5.862 2.473 -6.336 1.00 72.51 O ATOM 0 H GLU A 29 -2.844 7.162 -7.630 1.00 13.43 H new ATOM 0 HA GLU A 29 -5.061 5.588 -6.421 1.00 75.05 H new ATOM 0 HB2 GLU A 29 -4.404 5.261 -8.832 1.00 12.10 H new ATOM 0 HB3 GLU A 29 -2.781 4.844 -8.318 1.00 12.10 H new ATOM 0 HG2 GLU A 29 -4.158 2.849 -8.899 1.00 73.24 H new ATOM 0 HG3 GLU A 29 -3.552 2.800 -7.256 1.00 73.24 H new ATOM 459 N VAL A 30 -3.715 4.175 -4.794 1.00 62.40 N ATOM 460 CA VAL A 30 -2.997 3.476 -3.710 1.00 4.02 C ATOM 461 C VAL A 30 -3.100 1.951 -3.918 1.00 24.53 C ATOM 462 O VAL A 30 -4.195 1.397 -4.072 1.00 1.22 O ATOM 463 CB VAL A 30 -3.530 3.880 -2.270 1.00 12.12 C ATOM 464 CG1 VAL A 30 -2.951 2.969 -1.155 1.00 74.34 C ATOM 465 CG2 VAL A 30 -3.196 5.356 -1.965 1.00 31.12 C ATOM 0 H VAL A 30 -4.681 3.866 -4.904 1.00 62.40 H new ATOM 0 HA VAL A 30 -1.952 3.782 -3.754 1.00 4.02 H new ATOM 0 HB VAL A 30 -4.612 3.746 -2.281 1.00 12.12 H new ATOM 0 HG11 VAL A 30 -3.344 3.283 -0.188 1.00 74.34 H new ATOM 0 HG12 VAL A 30 -3.238 1.935 -1.345 1.00 74.34 H new ATOM 0 HG13 VAL A 30 -1.864 3.048 -1.148 1.00 74.34 H new ATOM 0 HG21 VAL A 30 -3.569 5.616 -0.974 1.00 31.12 H new ATOM 0 HG22 VAL A 30 -2.116 5.498 -1.995 1.00 31.12 H new ATOM 0 HG23 VAL A 30 -3.668 5.997 -2.710 1.00 31.12 H new ATOM 475 N TYR A 31 -1.931 1.307 -3.913 1.00 24.24 N ATOM 476 CA TYR A 31 -1.772 -0.150 -3.939 1.00 52.34 C ATOM 477 C TYR A 31 -1.435 -0.591 -2.510 1.00 72.14 C ATOM 478 O TYR A 31 -0.862 0.181 -1.739 1.00 62.22 O ATOM 479 CB TYR A 31 -0.605 -0.564 -4.879 1.00 65.44 C ATOM 480 CG TYR A 31 -0.806 -0.316 -6.391 1.00 45.41 C ATOM 481 CD1 TYR A 31 -1.316 0.888 -6.883 1.00 65.35 C ATOM 482 CD2 TYR A 31 -0.477 -1.297 -7.332 1.00 43.33 C ATOM 483 CE1 TYR A 31 -1.462 1.108 -8.243 1.00 54.00 C ATOM 484 CE2 TYR A 31 -0.617 -1.077 -8.688 1.00 1.31 C ATOM 485 CZ TYR A 31 -1.126 0.121 -9.139 1.00 15.45 C ATOM 486 OH TYR A 31 -1.270 0.341 -10.500 1.00 74.12 O ATOM 0 H TYR A 31 -1.039 1.801 -3.890 1.00 24.24 H new ATOM 0 HA TYR A 31 -2.686 -0.617 -4.305 1.00 52.34 H new ATOM 0 HB2 TYR A 31 0.291 -0.030 -4.563 1.00 65.44 H new ATOM 0 HB3 TYR A 31 -0.411 -1.626 -4.732 1.00 65.44 H new ATOM 0 HD1 TYR A 31 -1.603 1.664 -6.188 1.00 65.35 H new ATOM 0 HD2 TYR A 31 -0.104 -2.251 -6.989 1.00 43.33 H new ATOM 0 HE1 TYR A 31 -1.840 2.055 -8.599 1.00 54.00 H new ATOM 0 HE2 TYR A 31 -0.328 -1.842 -9.393 1.00 1.31 H new ATOM 0 HH TYR A 31 -0.987 -0.458 -10.992 1.00 74.12 H new ATOM 496 N ILE A 32 -1.795 -1.820 -2.147 1.00 21.23 N ATOM 497 CA ILE A 32 -1.472 -2.375 -0.822 1.00 30.45 C ATOM 498 C ILE A 32 -0.738 -3.711 -1.007 1.00 61.54 C ATOM 499 O ILE A 32 -1.201 -4.573 -1.751 1.00 13.02 O ATOM 500 CB ILE A 32 -2.771 -2.603 0.055 1.00 43.31 C ATOM 501 CG1 ILE A 32 -3.658 -1.312 0.165 1.00 71.35 C ATOM 502 CG2 ILE A 32 -2.409 -3.134 1.465 1.00 42.44 C ATOM 503 CD1 ILE A 32 -3.041 -0.164 0.947 1.00 14.41 C ATOM 0 H ILE A 32 -2.313 -2.458 -2.751 1.00 21.23 H new ATOM 0 HA ILE A 32 -0.840 -1.658 -0.297 1.00 30.45 H new ATOM 0 HB ILE A 32 -3.363 -3.358 -0.461 1.00 43.31 H new ATOM 0 HG12 ILE A 32 -3.888 -0.962 -0.841 1.00 71.35 H new ATOM 0 HG13 ILE A 32 -4.605 -1.581 0.633 1.00 71.35 H new ATOM 0 HG21 ILE A 32 -3.321 -3.281 2.044 1.00 42.44 H new ATOM 0 HG22 ILE A 32 -1.882 -4.083 1.372 1.00 42.44 H new ATOM 0 HG23 ILE A 32 -1.769 -2.412 1.973 1.00 42.44 H new ATOM 0 HD11 ILE A 32 -3.733 0.678 0.964 1.00 14.41 H new ATOM 0 HD12 ILE A 32 -2.838 -0.487 1.968 1.00 14.41 H new ATOM 0 HD13 ILE A 32 -2.109 0.141 0.471 1.00 14.41 H new ATOM 515 N LEU A 33 0.429 -3.862 -0.368 1.00 63.23 N ATOM 516 CA LEU A 33 1.088 -5.163 -0.224 1.00 20.52 C ATOM 517 C LEU A 33 0.781 -5.727 1.151 1.00 10.35 C ATOM 518 O LEU A 33 1.254 -5.221 2.179 1.00 10.43 O ATOM 519 CB LEU A 33 2.607 -5.057 -0.476 1.00 61.24 C ATOM 520 CG LEU A 33 2.992 -4.786 -1.960 1.00 34.14 C ATOM 521 CD1 LEU A 33 4.512 -4.836 -2.164 1.00 32.23 C ATOM 522 CD2 LEU A 33 2.257 -5.752 -2.915 1.00 22.15 C ATOM 0 H LEU A 33 0.939 -3.090 0.061 1.00 63.23 H new ATOM 0 HA LEU A 33 0.699 -5.847 -0.978 1.00 20.52 H new ATOM 0 HB2 LEU A 33 3.012 -4.257 0.144 1.00 61.24 H new ATOM 0 HB3 LEU A 33 3.083 -5.983 -0.152 1.00 61.24 H new ATOM 0 HG LEU A 33 2.667 -3.775 -2.205 1.00 34.14 H new ATOM 0 HD11 LEU A 33 4.745 -4.643 -3.211 1.00 32.23 H new ATOM 0 HD12 LEU A 33 4.988 -4.079 -1.540 1.00 32.23 H new ATOM 0 HD13 LEU A 33 4.884 -5.822 -1.886 1.00 32.23 H new ATOM 0 HD21 LEU A 33 2.547 -5.537 -3.944 1.00 22.15 H new ATOM 0 HD22 LEU A 33 2.524 -6.780 -2.670 1.00 22.15 H new ATOM 0 HD23 LEU A 33 1.180 -5.621 -2.807 1.00 22.15 H new ATOM 534 N LEU A 34 -0.057 -6.755 1.148 1.00 53.24 N ATOM 535 CA LEU A 34 -0.557 -7.379 2.353 1.00 24.25 C ATOM 536 C LEU A 34 0.415 -8.487 2.799 1.00 63.15 C ATOM 537 O LEU A 34 0.806 -9.351 1.994 1.00 22.24 O ATOM 538 CB LEU A 34 -1.998 -7.928 2.091 1.00 50.45 C ATOM 539 CG LEU A 34 -3.019 -7.735 3.255 1.00 25.31 C ATOM 540 CD1 LEU A 34 -2.625 -8.525 4.532 1.00 23.51 C ATOM 541 CD2 LEU A 34 -3.196 -6.225 3.551 1.00 2.33 C ATOM 0 H LEU A 34 -0.411 -7.181 0.291 1.00 53.24 H new ATOM 0 HA LEU A 34 -0.620 -6.652 3.162 1.00 24.25 H new ATOM 0 HB2 LEU A 34 -2.395 -7.442 1.200 1.00 50.45 H new ATOM 0 HB3 LEU A 34 -1.926 -8.993 1.868 1.00 50.45 H new ATOM 0 HG LEU A 34 -3.975 -8.147 2.933 1.00 25.31 H new ATOM 0 HD11 LEU A 34 -3.370 -8.355 5.310 1.00 23.51 H new ATOM 0 HD12 LEU A 34 -2.578 -9.589 4.301 1.00 23.51 H new ATOM 0 HD13 LEU A 34 -1.650 -8.187 4.883 1.00 23.51 H new ATOM 0 HD21 LEU A 34 -3.910 -6.095 4.364 1.00 2.33 H new ATOM 0 HD22 LEU A 34 -2.236 -5.796 3.838 1.00 2.33 H new ATOM 0 HD23 LEU A 34 -3.567 -5.720 2.659 1.00 2.33 H new ATOM 553 N LYS A 35 0.825 -8.422 4.071 1.00 34.13 N ATOM 554 CA LYS A 35 1.594 -9.477 4.731 1.00 5.21 C ATOM 555 C LYS A 35 0.871 -9.881 6.024 1.00 44.12 C ATOM 556 O LYS A 35 0.602 -9.050 6.896 1.00 22.14 O ATOM 557 CB LYS A 35 3.048 -9.012 5.025 1.00 35.30 C ATOM 558 CG LYS A 35 3.172 -7.690 5.827 1.00 33.20 C ATOM 559 CD LYS A 35 4.617 -7.424 6.309 1.00 44.55 C ATOM 560 CE LYS A 35 5.633 -7.410 5.160 1.00 24.21 C ATOM 561 NZ LYS A 35 6.985 -7.007 5.618 1.00 61.53 N ATOM 0 H LYS A 35 0.628 -7.625 4.676 1.00 34.13 H new ATOM 0 HA LYS A 35 1.664 -10.341 4.070 1.00 5.21 H new ATOM 0 HB2 LYS A 35 3.560 -9.801 5.576 1.00 35.30 H new ATOM 0 HB3 LYS A 35 3.573 -8.893 4.077 1.00 35.30 H new ATOM 0 HG2 LYS A 35 2.841 -6.859 5.205 1.00 33.20 H new ATOM 0 HG3 LYS A 35 2.506 -7.728 6.689 1.00 33.20 H new ATOM 0 HD2 LYS A 35 4.651 -6.467 6.830 1.00 44.55 H new ATOM 0 HD3 LYS A 35 4.901 -8.190 7.030 1.00 44.55 H new ATOM 0 HE2 LYS A 35 5.684 -8.401 4.709 1.00 24.21 H new ATOM 0 HE3 LYS A 35 5.294 -6.724 4.384 1.00 24.21 H new ATOM 0 HZ1 LYS A 35 7.498 -6.559 4.832 1.00 61.53 H new ATOM 0 HZ2 LYS A 35 6.898 -6.332 6.405 1.00 61.53 H new ATOM 0 HZ3 LYS A 35 7.508 -7.847 5.938 1.00 61.53 H new ATOM 575 N ASP A 36 0.502 -11.154 6.096 1.00 42.01 N ATOM 576 CA ASP A 36 -0.071 -11.777 7.288 1.00 32.45 C ATOM 577 C ASP A 36 0.668 -13.101 7.489 1.00 24.51 C ATOM 578 O ASP A 36 1.066 -13.735 6.498 1.00 2.24 O ATOM 579 CB ASP A 36 -1.591 -12.002 7.113 1.00 11.32 C ATOM 580 CG ASP A 36 -2.320 -12.350 8.424 1.00 2.22 C ATOM 581 OD1 ASP A 36 -2.302 -13.524 8.844 1.00 54.02 O ATOM 582 OD2 ASP A 36 -2.907 -11.439 9.042 1.00 1.42 O ATOM 0 H ASP A 36 0.594 -11.798 5.311 1.00 42.01 H new ATOM 0 HA ASP A 36 0.047 -11.136 8.162 1.00 32.45 H new ATOM 0 HB2 ASP A 36 -2.036 -11.102 6.688 1.00 11.32 H new ATOM 0 HB3 ASP A 36 -1.750 -12.806 6.395 1.00 11.32 H new ATOM 587 N LYS A 37 0.838 -13.515 8.755 1.00 63.21 N ATOM 588 CA LYS A 37 1.603 -14.736 9.108 1.00 21.01 C ATOM 589 C LYS A 37 0.880 -16.020 8.641 1.00 50.52 C ATOM 590 O LYS A 37 1.482 -17.094 8.579 1.00 4.41 O ATOM 591 CB LYS A 37 1.898 -14.760 10.628 1.00 34.51 C ATOM 592 CG LYS A 37 2.681 -13.510 11.106 1.00 24.11 C ATOM 593 CD LYS A 37 3.171 -13.604 12.567 1.00 71.32 C ATOM 594 CE LYS A 37 4.243 -14.686 12.771 1.00 53.11 C ATOM 595 NZ LYS A 37 4.770 -14.696 14.162 1.00 45.13 N ATOM 0 H LYS A 37 0.455 -13.022 9.561 1.00 63.21 H new ATOM 0 HA LYS A 37 2.555 -14.708 8.578 1.00 21.01 H new ATOM 0 HB2 LYS A 37 0.958 -14.826 11.175 1.00 34.51 H new ATOM 0 HB3 LYS A 37 2.470 -15.656 10.869 1.00 34.51 H new ATOM 0 HG2 LYS A 37 3.541 -13.359 10.453 1.00 24.11 H new ATOM 0 HG3 LYS A 37 2.044 -12.632 11.002 1.00 24.11 H new ATOM 0 HD2 LYS A 37 3.574 -12.638 12.872 1.00 71.32 H new ATOM 0 HD3 LYS A 37 2.322 -13.815 13.217 1.00 71.32 H new ATOM 0 HE2 LYS A 37 3.820 -15.663 12.537 1.00 53.11 H new ATOM 0 HE3 LYS A 37 5.064 -14.518 12.074 1.00 53.11 H new ATOM 0 HZ1 LYS A 37 5.490 -15.441 14.255 1.00 45.13 H new ATOM 0 HZ2 LYS A 37 5.197 -13.773 14.378 1.00 45.13 H new ATOM 0 HZ3 LYS A 37 3.992 -14.882 14.827 1.00 45.13 H new ATOM 609 N ASP A 38 -0.415 -15.879 8.318 1.00 51.04 N ATOM 610 CA ASP A 38 -1.246 -16.920 7.682 1.00 51.43 C ATOM 611 C ASP A 38 -1.740 -16.356 6.332 1.00 30.35 C ATOM 612 O ASP A 38 -2.561 -15.433 6.315 1.00 61.31 O ATOM 613 CB ASP A 38 -2.440 -17.282 8.613 1.00 11.45 C ATOM 614 CG ASP A 38 -3.434 -18.302 8.012 1.00 5.21 C ATOM 615 OD1 ASP A 38 -3.135 -19.517 8.006 1.00 50.44 O ATOM 616 OD2 ASP A 38 -4.532 -17.900 7.584 1.00 61.10 O ATOM 0 H ASP A 38 -0.929 -15.016 8.496 1.00 51.04 H new ATOM 0 HA ASP A 38 -0.675 -17.833 7.513 1.00 51.43 H new ATOM 0 HB2 ASP A 38 -2.047 -17.683 9.547 1.00 11.45 H new ATOM 0 HB3 ASP A 38 -2.981 -16.369 8.861 1.00 11.45 H new ATOM 621 N GLU A 39 -1.201 -16.887 5.206 1.00 5.41 N ATOM 622 CA GLU A 39 -1.471 -16.378 3.831 1.00 72.34 C ATOM 623 C GLU A 39 -2.960 -16.474 3.409 1.00 54.05 C ATOM 624 O GLU A 39 -3.358 -15.879 2.391 1.00 4.10 O ATOM 625 CB GLU A 39 -0.527 -17.086 2.799 1.00 22.51 C ATOM 626 CG GLU A 39 -0.798 -18.593 2.524 1.00 14.20 C ATOM 627 CD GLU A 39 -1.882 -18.875 1.452 1.00 13.55 C ATOM 628 OE1 GLU A 39 -1.625 -18.625 0.256 1.00 31.14 O ATOM 629 OE2 GLU A 39 -2.986 -19.350 1.799 1.00 64.22 O ATOM 0 H GLU A 39 -0.564 -17.683 5.223 1.00 5.41 H new ATOM 0 HA GLU A 39 -1.250 -15.311 3.841 1.00 72.34 H new ATOM 0 HB2 GLU A 39 -0.595 -16.550 1.852 1.00 22.51 H new ATOM 0 HB3 GLU A 39 0.500 -16.983 3.151 1.00 22.51 H new ATOM 0 HG2 GLU A 39 0.134 -19.064 2.210 1.00 14.20 H new ATOM 0 HG3 GLU A 39 -1.098 -19.070 3.457 1.00 14.20 H new ATOM 636 N LYS A 40 -3.763 -17.223 4.183 1.00 44.45 N ATOM 637 CA LYS A 40 -5.210 -17.357 3.949 1.00 60.51 C ATOM 638 C LYS A 40 -5.931 -16.110 4.487 1.00 63.01 C ATOM 639 O LYS A 40 -6.751 -15.495 3.787 1.00 24.13 O ATOM 640 CB LYS A 40 -5.775 -18.635 4.633 1.00 31.50 C ATOM 641 CG LYS A 40 -4.898 -19.897 4.500 1.00 61.03 C ATOM 642 CD LYS A 40 -5.515 -21.130 5.209 1.00 21.43 C ATOM 643 CE LYS A 40 -4.494 -22.257 5.396 1.00 4.32 C ATOM 644 NZ LYS A 40 -3.411 -21.833 6.319 1.00 52.11 N ATOM 0 H LYS A 40 -3.427 -17.752 4.988 1.00 44.45 H new ATOM 0 HA LYS A 40 -5.381 -17.448 2.876 1.00 60.51 H new ATOM 0 HB2 LYS A 40 -5.922 -18.425 5.692 1.00 31.50 H new ATOM 0 HB3 LYS A 40 -6.757 -18.849 4.211 1.00 31.50 H new ATOM 0 HG2 LYS A 40 -4.753 -20.125 3.444 1.00 61.03 H new ATOM 0 HG3 LYS A 40 -3.913 -19.696 4.921 1.00 61.03 H new ATOM 0 HD2 LYS A 40 -5.906 -20.831 6.181 1.00 21.43 H new ATOM 0 HD3 LYS A 40 -6.359 -21.499 4.626 1.00 21.43 H new ATOM 0 HE2 LYS A 40 -4.991 -23.143 5.792 1.00 4.32 H new ATOM 0 HE3 LYS A 40 -4.069 -22.534 4.431 1.00 4.32 H new ATOM 0 HZ1 LYS A 40 -2.527 -21.713 5.785 1.00 52.11 H new ATOM 0 HZ2 LYS A 40 -3.670 -20.931 6.767 1.00 52.11 H new ATOM 0 HZ3 LYS A 40 -3.277 -22.558 7.053 1.00 52.11 H new ATOM 658 N ARG A 41 -5.601 -15.752 5.742 1.00 63.33 N ATOM 659 CA ARG A 41 -6.151 -14.571 6.430 1.00 71.35 C ATOM 660 C ARG A 41 -5.674 -13.285 5.723 1.00 51.42 C ATOM 661 O ARG A 41 -6.389 -12.275 5.683 1.00 43.14 O ATOM 662 CB ARG A 41 -5.717 -14.563 7.922 1.00 74.11 C ATOM 663 CG ARG A 41 -6.516 -13.575 8.799 1.00 62.35 C ATOM 664 CD ARG A 41 -8.011 -13.930 8.862 1.00 72.24 C ATOM 665 NE ARG A 41 -8.789 -12.991 9.681 1.00 1.11 N ATOM 666 CZ ARG A 41 -10.131 -12.940 9.732 1.00 41.53 C ATOM 667 NH1 ARG A 41 -10.882 -13.767 9.001 1.00 12.34 N ATOM 668 NH2 ARG A 41 -10.712 -12.054 10.527 1.00 73.12 N ATOM 0 H ARG A 41 -4.939 -16.280 6.311 1.00 63.33 H new ATOM 0 HA ARG A 41 -7.239 -14.613 6.390 1.00 71.35 H new ATOM 0 HB2 ARG A 41 -5.830 -15.568 8.329 1.00 74.11 H new ATOM 0 HB3 ARG A 41 -4.658 -14.312 7.981 1.00 74.11 H new ATOM 0 HG2 ARG A 41 -6.103 -13.571 9.808 1.00 62.35 H new ATOM 0 HG3 ARG A 41 -6.401 -12.566 8.404 1.00 62.35 H new ATOM 0 HD2 ARG A 41 -8.418 -13.946 7.851 1.00 72.24 H new ATOM 0 HD3 ARG A 41 -8.123 -14.936 9.266 1.00 72.24 H new ATOM 0 HE ARG A 41 -8.271 -12.326 10.255 1.00 1.11 H new ATOM 0 HH11 ARG A 41 -10.439 -14.453 8.390 1.00 12.34 H new ATOM 0 HH12 ARG A 41 -11.899 -13.713 9.053 1.00 12.34 H new ATOM 0 HH21 ARG A 41 -10.142 -11.423 11.090 1.00 73.12 H new ATOM 0 HH22 ARG A 41 -11.730 -12.003 10.576 1.00 73.12 H new ATOM 682 N LEU A 42 -4.451 -13.371 5.171 1.00 42.11 N ATOM 683 CA LEU A 42 -3.855 -12.363 4.278 1.00 21.02 C ATOM 684 C LEU A 42 -4.802 -12.103 3.096 1.00 73.15 C ATOM 685 O LEU A 42 -5.154 -10.957 2.811 1.00 3.02 O ATOM 686 CB LEU A 42 -2.466 -12.907 3.789 1.00 41.12 C ATOM 687 CG LEU A 42 -1.471 -11.944 3.032 1.00 1.15 C ATOM 688 CD1 LEU A 42 -0.051 -12.558 2.956 1.00 61.31 C ATOM 689 CD2 LEU A 42 -1.944 -11.598 1.615 1.00 54.35 C ATOM 0 H LEU A 42 -3.833 -14.165 5.339 1.00 42.11 H new ATOM 0 HA LEU A 42 -3.706 -11.417 4.799 1.00 21.02 H new ATOM 0 HB2 LEU A 42 -1.942 -13.295 4.663 1.00 41.12 H new ATOM 0 HB3 LEU A 42 -2.661 -13.755 3.132 1.00 41.12 H new ATOM 0 HG LEU A 42 -1.445 -11.023 3.614 1.00 1.15 H new ATOM 0 HD11 LEU A 42 0.614 -11.873 2.429 1.00 61.31 H new ATOM 0 HD12 LEU A 42 0.327 -12.727 3.964 1.00 61.31 H new ATOM 0 HD13 LEU A 42 -0.093 -13.507 2.421 1.00 61.31 H new ATOM 0 HD21 LEU A 42 -1.221 -10.933 1.142 1.00 54.35 H new ATOM 0 HD22 LEU A 42 -2.034 -12.512 1.028 1.00 54.35 H new ATOM 0 HD23 LEU A 42 -2.913 -11.102 1.666 1.00 54.35 H new ATOM 701 N GLU A 43 -5.202 -13.202 2.428 1.00 31.33 N ATOM 702 CA GLU A 43 -5.989 -13.161 1.188 1.00 62.50 C ATOM 703 C GLU A 43 -7.443 -12.688 1.431 1.00 55.02 C ATOM 704 O GLU A 43 -8.075 -12.117 0.525 1.00 0.25 O ATOM 705 CB GLU A 43 -5.936 -14.550 0.506 1.00 62.22 C ATOM 706 CG GLU A 43 -6.473 -14.573 -0.935 1.00 53.12 C ATOM 707 CD GLU A 43 -6.158 -15.878 -1.669 1.00 1.31 C ATOM 708 OE1 GLU A 43 -4.972 -16.113 -1.987 1.00 0.00 O ATOM 709 OE2 GLU A 43 -7.078 -16.679 -1.925 1.00 45.34 O ATOM 0 H GLU A 43 -4.985 -14.149 2.739 1.00 31.33 H new ATOM 0 HA GLU A 43 -5.548 -12.422 0.519 1.00 62.50 H new ATOM 0 HB2 GLU A 43 -4.904 -14.899 0.501 1.00 62.22 H new ATOM 0 HB3 GLU A 43 -6.509 -15.257 1.105 1.00 62.22 H new ATOM 0 HG2 GLU A 43 -7.553 -14.424 -0.917 1.00 53.12 H new ATOM 0 HG3 GLU A 43 -6.045 -13.738 -1.490 1.00 53.12 H new ATOM 716 N GLU A 44 -7.952 -12.895 2.669 1.00 50.13 N ATOM 717 CA GLU A 44 -9.248 -12.321 3.103 1.00 32.45 C ATOM 718 C GLU A 44 -9.135 -10.796 3.167 1.00 62.43 C ATOM 719 O GLU A 44 -9.954 -10.086 2.584 1.00 75.11 O ATOM 720 CB GLU A 44 -9.702 -12.872 4.484 1.00 52.30 C ATOM 721 CG GLU A 44 -10.018 -14.373 4.492 1.00 64.14 C ATOM 722 CD GLU A 44 -10.650 -14.842 5.808 1.00 5.14 C ATOM 723 OE1 GLU A 44 -11.876 -14.668 5.989 1.00 41.01 O ATOM 724 OE2 GLU A 44 -9.929 -15.369 6.675 1.00 71.10 O ATOM 0 H GLU A 44 -7.486 -13.454 3.383 1.00 50.13 H new ATOM 0 HA GLU A 44 -10.001 -12.613 2.371 1.00 32.45 H new ATOM 0 HB2 GLU A 44 -8.919 -12.673 5.216 1.00 52.30 H new ATOM 0 HB3 GLU A 44 -10.587 -12.325 4.807 1.00 52.30 H new ATOM 0 HG2 GLU A 44 -10.694 -14.601 3.668 1.00 64.14 H new ATOM 0 HG3 GLU A 44 -9.100 -14.934 4.315 1.00 64.14 H new ATOM 731 N LYS A 45 -8.057 -10.326 3.832 1.00 44.12 N ATOM 732 CA LYS A 45 -7.784 -8.894 4.038 1.00 22.31 C ATOM 733 C LYS A 45 -7.587 -8.157 2.690 1.00 13.44 C ATOM 734 O LYS A 45 -7.971 -6.984 2.556 1.00 74.31 O ATOM 735 CB LYS A 45 -6.542 -8.725 4.952 1.00 34.14 C ATOM 736 CG LYS A 45 -6.121 -7.261 5.229 1.00 13.31 C ATOM 737 CD LYS A 45 -7.149 -6.433 6.020 1.00 31.33 C ATOM 738 CE LYS A 45 -7.297 -6.903 7.473 1.00 70.01 C ATOM 739 NZ LYS A 45 -8.138 -5.963 8.248 1.00 61.25 N ATOM 0 H LYS A 45 -7.350 -10.936 4.242 1.00 44.12 H new ATOM 0 HA LYS A 45 -8.647 -8.443 4.528 1.00 22.31 H new ATOM 0 HB2 LYS A 45 -6.743 -9.215 5.905 1.00 34.14 H new ATOM 0 HB3 LYS A 45 -5.701 -9.248 4.496 1.00 34.14 H new ATOM 0 HG2 LYS A 45 -5.180 -7.266 5.778 1.00 13.31 H new ATOM 0 HG3 LYS A 45 -5.932 -6.766 4.277 1.00 13.31 H new ATOM 0 HD2 LYS A 45 -6.850 -5.385 6.010 1.00 31.33 H new ATOM 0 HD3 LYS A 45 -8.117 -6.493 5.523 1.00 31.33 H new ATOM 0 HE2 LYS A 45 -7.742 -7.898 7.494 1.00 70.01 H new ATOM 0 HE3 LYS A 45 -6.313 -6.984 7.936 1.00 70.01 H new ATOM 0 HZ1 LYS A 45 -8.393 -6.395 9.159 1.00 61.25 H new ATOM 0 HZ2 LYS A 45 -7.610 -5.084 8.418 1.00 61.25 H new ATOM 0 HZ3 LYS A 45 -9.003 -5.749 7.712 1.00 61.25 H new ATOM 753 N ILE A 46 -7.022 -8.884 1.692 1.00 34.51 N ATOM 754 CA ILE A 46 -6.910 -8.407 0.303 1.00 13.22 C ATOM 755 C ILE A 46 -8.304 -8.029 -0.227 1.00 5.54 C ATOM 756 O ILE A 46 -8.531 -6.887 -0.623 1.00 11.11 O ATOM 757 CB ILE A 46 -6.236 -9.491 -0.640 1.00 4.11 C ATOM 758 CG1 ILE A 46 -4.740 -9.704 -0.242 1.00 63.41 C ATOM 759 CG2 ILE A 46 -6.371 -9.127 -2.147 1.00 74.30 C ATOM 760 CD1 ILE A 46 -3.978 -10.701 -1.094 1.00 64.15 C ATOM 0 H ILE A 46 -6.634 -9.816 1.835 1.00 34.51 H new ATOM 0 HA ILE A 46 -6.266 -7.528 0.298 1.00 13.22 H new ATOM 0 HB ILE A 46 -6.772 -10.429 -0.496 1.00 4.11 H new ATOM 0 HG12 ILE A 46 -4.228 -8.743 -0.291 1.00 63.41 H new ATOM 0 HG13 ILE A 46 -4.701 -10.034 0.796 1.00 63.41 H new ATOM 0 HG21 ILE A 46 -5.895 -9.899 -2.752 1.00 74.30 H new ATOM 0 HG22 ILE A 46 -7.426 -9.058 -2.412 1.00 74.30 H new ATOM 0 HG23 ILE A 46 -5.887 -8.169 -2.335 1.00 74.30 H new ATOM 0 HD11 ILE A 46 -2.951 -10.776 -0.736 1.00 64.15 H new ATOM 0 HD12 ILE A 46 -4.457 -11.678 -1.028 1.00 64.15 H new ATOM 0 HD13 ILE A 46 -3.977 -10.367 -2.132 1.00 64.15 H new ATOM 772 N GLN A 47 -9.246 -8.984 -0.121 1.00 64.14 N ATOM 773 CA GLN A 47 -10.626 -8.821 -0.612 1.00 42.45 C ATOM 774 C GLN A 47 -11.383 -7.707 0.148 1.00 65.50 C ATOM 775 O GLN A 47 -12.184 -6.991 -0.456 1.00 54.25 O ATOM 776 CB GLN A 47 -11.395 -10.167 -0.488 1.00 22.24 C ATOM 777 CG GLN A 47 -10.796 -11.327 -1.311 1.00 75.44 C ATOM 778 CD GLN A 47 -10.809 -11.062 -2.819 1.00 34.54 C ATOM 779 OE1 GLN A 47 -11.776 -11.386 -3.507 1.00 11.23 O ATOM 780 NE2 GLN A 47 -9.735 -10.486 -3.342 1.00 1.10 N ATOM 0 H GLN A 47 -9.071 -9.892 0.309 1.00 64.14 H new ATOM 0 HA GLN A 47 -10.571 -8.525 -1.660 1.00 42.45 H new ATOM 0 HB2 GLN A 47 -11.422 -10.460 0.562 1.00 22.24 H new ATOM 0 HB3 GLN A 47 -12.427 -10.011 -0.802 1.00 22.24 H new ATOM 0 HG2 GLN A 47 -9.770 -11.502 -0.988 1.00 75.44 H new ATOM 0 HG3 GLN A 47 -11.356 -12.239 -1.103 1.00 75.44 H new ATOM 0 HE21 GLN A 47 -8.951 -10.230 -2.742 1.00 1.10 H new ATOM 0 HE22 GLN A 47 -9.693 -10.299 -4.344 1.00 1.10 H new ATOM 789 N LYS A 48 -11.094 -7.554 1.463 1.00 4.13 N ATOM 790 CA LYS A 48 -11.757 -6.546 2.328 1.00 61.52 C ATOM 791 C LYS A 48 -11.413 -5.118 1.860 1.00 43.35 C ATOM 792 O LYS A 48 -12.292 -4.252 1.727 1.00 2.31 O ATOM 793 CB LYS A 48 -11.326 -6.715 3.817 1.00 60.24 C ATOM 794 CG LYS A 48 -11.555 -8.103 4.474 1.00 74.30 C ATOM 795 CD LYS A 48 -13.035 -8.578 4.539 1.00 41.40 C ATOM 796 CE LYS A 48 -13.489 -9.382 3.305 1.00 45.33 C ATOM 797 NZ LYS A 48 -14.878 -9.891 3.457 1.00 23.42 N ATOM 0 H LYS A 48 -10.401 -8.121 1.951 1.00 4.13 H new ATOM 0 HA LYS A 48 -12.833 -6.704 2.250 1.00 61.52 H new ATOM 0 HB2 LYS A 48 -10.264 -6.479 3.889 1.00 60.24 H new ATOM 0 HB3 LYS A 48 -11.859 -5.970 4.408 1.00 60.24 H new ATOM 0 HG2 LYS A 48 -10.977 -8.846 3.924 1.00 74.30 H new ATOM 0 HG3 LYS A 48 -11.156 -8.076 5.488 1.00 74.30 H new ATOM 0 HD2 LYS A 48 -13.170 -9.191 5.430 1.00 41.40 H new ATOM 0 HD3 LYS A 48 -13.681 -7.707 4.651 1.00 41.40 H new ATOM 0 HE2 LYS A 48 -13.428 -8.751 2.418 1.00 45.33 H new ATOM 0 HE3 LYS A 48 -12.810 -10.220 3.147 1.00 45.33 H new ATOM 0 HZ1 LYS A 48 -15.147 -10.426 2.607 1.00 23.42 H new ATOM 0 HZ2 LYS A 48 -14.931 -10.513 4.289 1.00 23.42 H new ATOM 0 HZ3 LYS A 48 -15.530 -9.090 3.582 1.00 23.42 H new ATOM 811 N LEU A 49 -10.114 -4.908 1.594 1.00 43.22 N ATOM 812 CA LEU A 49 -9.577 -3.623 1.134 1.00 65.23 C ATOM 813 C LEU A 49 -9.971 -3.345 -0.325 1.00 11.34 C ATOM 814 O LEU A 49 -10.303 -2.211 -0.667 1.00 54.34 O ATOM 815 CB LEU A 49 -8.038 -3.593 1.316 1.00 15.24 C ATOM 816 CG LEU A 49 -7.533 -3.586 2.790 1.00 51.22 C ATOM 817 CD1 LEU A 49 -5.994 -3.734 2.858 1.00 23.11 C ATOM 818 CD2 LEU A 49 -8.011 -2.313 3.519 1.00 41.04 C ATOM 0 H LEU A 49 -9.403 -5.633 1.694 1.00 43.22 H new ATOM 0 HA LEU A 49 -10.012 -2.830 1.742 1.00 65.23 H new ATOM 0 HB2 LEU A 49 -7.614 -4.460 0.810 1.00 15.24 H new ATOM 0 HB3 LEU A 49 -7.648 -2.708 0.813 1.00 15.24 H new ATOM 0 HG LEU A 49 -7.962 -4.448 3.301 1.00 51.22 H new ATOM 0 HD11 LEU A 49 -5.673 -3.725 3.900 1.00 23.11 H new ATOM 0 HD12 LEU A 49 -5.698 -4.675 2.395 1.00 23.11 H new ATOM 0 HD13 LEU A 49 -5.525 -2.905 2.327 1.00 23.11 H new ATOM 0 HD21 LEU A 49 -7.649 -2.325 4.547 1.00 41.04 H new ATOM 0 HD22 LEU A 49 -7.622 -1.433 3.007 1.00 41.04 H new ATOM 0 HD23 LEU A 49 -9.101 -2.281 3.518 1.00 41.04 H new ATOM 830 N LYS A 50 -9.973 -4.381 -1.188 1.00 75.31 N ATOM 831 CA LYS A 50 -10.362 -4.222 -2.605 1.00 43.11 C ATOM 832 C LYS A 50 -11.858 -3.870 -2.752 1.00 24.31 C ATOM 833 O LYS A 50 -12.232 -3.211 -3.725 1.00 53.14 O ATOM 834 CB LYS A 50 -9.992 -5.474 -3.449 1.00 11.11 C ATOM 835 CG LYS A 50 -8.468 -5.740 -3.534 1.00 62.22 C ATOM 836 CD LYS A 50 -8.061 -6.713 -4.662 1.00 52.22 C ATOM 837 CE LYS A 50 -8.392 -6.159 -6.060 1.00 64.30 C ATOM 838 NZ LYS A 50 -7.694 -6.908 -7.139 1.00 61.12 N ATOM 0 H LYS A 50 -9.711 -5.333 -0.931 1.00 75.31 H new ATOM 0 HA LYS A 50 -9.789 -3.382 -2.998 1.00 43.11 H new ATOM 0 HB2 LYS A 50 -10.481 -6.348 -3.019 1.00 11.11 H new ATOM 0 HB3 LYS A 50 -10.387 -5.351 -4.457 1.00 11.11 H new ATOM 0 HG2 LYS A 50 -7.952 -4.791 -3.683 1.00 62.22 H new ATOM 0 HG3 LYS A 50 -8.126 -6.142 -2.580 1.00 62.22 H new ATOM 0 HD2 LYS A 50 -6.992 -6.914 -4.597 1.00 52.22 H new ATOM 0 HD3 LYS A 50 -8.573 -7.665 -4.520 1.00 52.22 H new ATOM 0 HE2 LYS A 50 -9.469 -6.208 -6.223 1.00 64.30 H new ATOM 0 HE3 LYS A 50 -8.110 -5.107 -6.109 1.00 64.30 H new ATOM 0 HZ1 LYS A 50 -8.181 -6.747 -8.044 1.00 61.12 H new ATOM 0 HZ2 LYS A 50 -6.711 -6.577 -7.211 1.00 61.12 H new ATOM 0 HZ3 LYS A 50 -7.702 -7.924 -6.917 1.00 61.12 H new ATOM 852 N SER A 51 -12.695 -4.296 -1.778 1.00 1.04 N ATOM 853 CA SER A 51 -14.101 -3.831 -1.664 1.00 52.15 C ATOM 854 C SER A 51 -14.192 -2.288 -1.505 1.00 70.45 C ATOM 855 O SER A 51 -15.117 -1.662 -2.019 1.00 61.54 O ATOM 856 CB SER A 51 -14.798 -4.526 -0.473 1.00 75.01 C ATOM 857 OG SER A 51 -14.718 -5.939 -0.588 1.00 14.33 O ATOM 0 H SER A 51 -12.422 -4.963 -1.056 1.00 1.04 H new ATOM 0 HA SER A 51 -14.609 -4.099 -2.590 1.00 52.15 H new ATOM 0 HB2 SER A 51 -14.334 -4.207 0.460 1.00 75.01 H new ATOM 0 HB3 SER A 51 -15.843 -4.220 -0.430 1.00 75.01 H new ATOM 0 HG SER A 51 -13.788 -6.225 -0.468 1.00 14.33 H new ATOM 863 N GLN A 52 -13.204 -1.699 -0.800 1.00 23.13 N ATOM 864 CA GLN A 52 -13.092 -0.227 -0.626 1.00 44.21 C ATOM 865 C GLN A 52 -12.509 0.448 -1.891 1.00 41.42 C ATOM 866 O GLN A 52 -12.532 1.678 -2.005 1.00 73.42 O ATOM 867 CB GLN A 52 -12.219 0.118 0.605 1.00 3.44 C ATOM 868 CG GLN A 52 -12.768 -0.392 1.952 1.00 33.32 C ATOM 869 CD GLN A 52 -11.923 0.090 3.135 1.00 0.04 C ATOM 870 OE1 GLN A 52 -12.167 1.164 3.691 1.00 24.40 O ATOM 871 NE2 GLN A 52 -10.934 -0.694 3.530 1.00 63.45 N ATOM 0 H GLN A 52 -12.462 -2.223 -0.336 1.00 23.13 H new ATOM 0 HA GLN A 52 -14.099 0.158 -0.464 1.00 44.21 H new ATOM 0 HB2 GLN A 52 -11.223 -0.298 0.454 1.00 3.44 H new ATOM 0 HB3 GLN A 52 -12.107 1.201 0.661 1.00 3.44 H new ATOM 0 HG2 GLN A 52 -13.796 -0.051 2.077 1.00 33.32 H new ATOM 0 HG3 GLN A 52 -12.793 -1.482 1.944 1.00 33.32 H new ATOM 0 HE21 GLN A 52 -10.759 -1.576 3.048 1.00 63.45 H new ATOM 0 HE22 GLN A 52 -10.346 -0.417 4.316 1.00 63.45 H new ATOM 880 N GLY A 53 -11.960 -0.370 -2.809 1.00 44.33 N ATOM 881 CA GLY A 53 -11.473 0.100 -4.108 1.00 72.41 C ATOM 882 C GLY A 53 -9.971 0.306 -4.113 1.00 14.02 C ATOM 883 O GLY A 53 -9.493 1.398 -4.394 1.00 71.23 O ATOM 0 H GLY A 53 -11.844 -1.373 -2.666 1.00 44.33 H new ATOM 0 HA2 GLY A 53 -11.742 -0.622 -4.879 1.00 72.41 H new ATOM 0 HA3 GLY A 53 -11.968 1.037 -4.363 1.00 72.41 H new ATOM 887 N PHE A 54 -9.225 -0.750 -3.760 1.00 11.42 N ATOM 888 CA PHE A 54 -7.744 -0.764 -3.804 1.00 1.45 C ATOM 889 C PHE A 54 -7.271 -1.916 -4.692 1.00 43.55 C ATOM 890 O PHE A 54 -8.030 -2.858 -4.953 1.00 42.54 O ATOM 891 CB PHE A 54 -7.138 -0.953 -2.382 1.00 31.41 C ATOM 892 CG PHE A 54 -7.349 0.220 -1.427 1.00 51.44 C ATOM 893 CD1 PHE A 54 -8.477 0.290 -0.608 1.00 61.14 C ATOM 894 CD2 PHE A 54 -6.411 1.250 -1.338 1.00 0.44 C ATOM 895 CE1 PHE A 54 -8.663 1.340 0.260 1.00 14.34 C ATOM 896 CE2 PHE A 54 -6.603 2.301 -0.469 1.00 23.15 C ATOM 897 CZ PHE A 54 -7.727 2.339 0.325 1.00 73.12 C ATOM 0 H PHE A 54 -9.629 -1.628 -3.433 1.00 11.42 H new ATOM 0 HA PHE A 54 -7.411 0.193 -4.205 1.00 1.45 H new ATOM 0 HB2 PHE A 54 -7.571 -1.848 -1.935 1.00 31.41 H new ATOM 0 HB3 PHE A 54 -6.068 -1.133 -2.481 1.00 31.41 H new ATOM 0 HD1 PHE A 54 -9.217 -0.495 -0.657 1.00 61.14 H new ATOM 0 HD2 PHE A 54 -5.526 1.222 -1.957 1.00 0.44 H new ATOM 0 HE1 PHE A 54 -9.542 1.377 0.887 1.00 14.34 H new ATOM 0 HE2 PHE A 54 -5.873 3.094 -0.410 1.00 23.15 H new ATOM 0 HZ PHE A 54 -7.873 3.164 1.006 1.00 73.12 H new ATOM 907 N GLU A 55 -6.008 -1.835 -5.142 1.00 10.02 N ATOM 908 CA GLU A 55 -5.315 -2.969 -5.764 1.00 0.11 C ATOM 909 C GLU A 55 -4.353 -3.573 -4.732 1.00 43.54 C ATOM 910 O GLU A 55 -3.244 -3.068 -4.524 1.00 40.30 O ATOM 911 CB GLU A 55 -4.565 -2.562 -7.068 1.00 72.33 C ATOM 912 CG GLU A 55 -3.861 -3.745 -7.784 1.00 3.20 C ATOM 913 CD GLU A 55 -4.821 -4.919 -8.101 1.00 61.02 C ATOM 914 OE1 GLU A 55 -5.533 -4.860 -9.124 1.00 64.32 O ATOM 915 OE2 GLU A 55 -4.883 -5.894 -7.313 1.00 14.22 O ATOM 0 H GLU A 55 -5.444 -0.987 -5.084 1.00 10.02 H new ATOM 0 HA GLU A 55 -6.053 -3.712 -6.065 1.00 0.11 H new ATOM 0 HB2 GLU A 55 -5.276 -2.105 -7.756 1.00 72.33 H new ATOM 0 HB3 GLU A 55 -3.822 -1.802 -6.826 1.00 72.33 H new ATOM 0 HG2 GLU A 55 -3.415 -3.387 -8.712 1.00 3.20 H new ATOM 0 HG3 GLU A 55 -3.046 -4.108 -7.158 1.00 3.20 H new ATOM 922 N VAL A 56 -4.821 -4.629 -4.049 1.00 35.22 N ATOM 923 CA VAL A 56 -4.062 -5.314 -2.992 1.00 71.01 C ATOM 924 C VAL A 56 -3.488 -6.627 -3.544 1.00 11.31 C ATOM 925 O VAL A 56 -4.172 -7.342 -4.284 1.00 14.35 O ATOM 926 CB VAL A 56 -4.956 -5.595 -1.725 1.00 12.43 C ATOM 927 CG1 VAL A 56 -4.099 -6.074 -0.531 1.00 65.54 C ATOM 928 CG2 VAL A 56 -5.792 -4.353 -1.347 1.00 62.13 C ATOM 0 H VAL A 56 -5.742 -5.034 -4.216 1.00 35.22 H new ATOM 0 HA VAL A 56 -3.247 -4.662 -2.677 1.00 71.01 H new ATOM 0 HB VAL A 56 -5.648 -6.398 -1.979 1.00 12.43 H new ATOM 0 HG11 VAL A 56 -4.744 -6.260 0.328 1.00 65.54 H new ATOM 0 HG12 VAL A 56 -3.580 -6.994 -0.801 1.00 65.54 H new ATOM 0 HG13 VAL A 56 -3.368 -5.307 -0.277 1.00 65.54 H new ATOM 0 HG21 VAL A 56 -6.399 -4.576 -0.470 1.00 62.13 H new ATOM 0 HG22 VAL A 56 -5.125 -3.520 -1.125 1.00 62.13 H new ATOM 0 HG23 VAL A 56 -6.443 -4.085 -2.180 1.00 62.13 H new ATOM 938 N ARG A 57 -2.240 -6.936 -3.168 1.00 11.23 N ATOM 939 CA ARG A 57 -1.486 -8.077 -3.701 1.00 55.04 C ATOM 940 C ARG A 57 -0.782 -8.830 -2.551 1.00 42.12 C ATOM 941 O ARG A 57 -0.363 -8.218 -1.560 1.00 71.50 O ATOM 942 CB ARG A 57 -0.456 -7.560 -4.747 1.00 4.20 C ATOM 943 CG ARG A 57 0.350 -8.656 -5.486 1.00 45.41 C ATOM 944 CD ARG A 57 -0.529 -9.544 -6.383 1.00 2.51 C ATOM 945 NE ARG A 57 0.243 -10.569 -7.111 1.00 33.02 N ATOM 946 CZ ARG A 57 -0.295 -11.618 -7.765 1.00 24.33 C ATOM 947 NH1 ARG A 57 -1.621 -11.804 -7.789 1.00 20.42 N ATOM 948 NH2 ARG A 57 0.507 -12.461 -8.403 1.00 61.31 N ATOM 0 H ARG A 57 -1.720 -6.394 -2.477 1.00 11.23 H new ATOM 0 HA ARG A 57 -2.164 -8.776 -4.190 1.00 55.04 H new ATOM 0 HB2 ARG A 57 -0.986 -6.961 -5.488 1.00 4.20 H new ATOM 0 HB3 ARG A 57 0.245 -6.895 -4.243 1.00 4.20 H new ATOM 0 HG2 ARG A 57 1.121 -8.184 -6.095 1.00 45.41 H new ATOM 0 HG3 ARG A 57 0.860 -9.281 -4.753 1.00 45.41 H new ATOM 0 HD2 ARG A 57 -1.286 -10.034 -5.770 1.00 2.51 H new ATOM 0 HD3 ARG A 57 -1.057 -8.916 -7.101 1.00 2.51 H new ATOM 0 HE ARG A 57 1.259 -10.477 -7.120 1.00 33.02 H new ATOM 0 HH11 ARG A 57 -2.237 -11.148 -7.309 1.00 20.42 H new ATOM 0 HH12 ARG A 57 -2.015 -12.602 -8.288 1.00 20.42 H new ATOM 0 HH21 ARG A 57 1.516 -12.311 -8.394 1.00 61.31 H new ATOM 0 HH22 ARG A 57 0.115 -13.259 -8.902 1.00 61.31 H new ATOM 962 N LYS A 58 -0.668 -10.160 -2.704 1.00 45.51 N ATOM 963 CA LYS A 58 0.024 -11.041 -1.752 1.00 3.22 C ATOM 964 C LYS A 58 1.494 -11.189 -2.169 1.00 45.31 C ATOM 965 O LYS A 58 1.793 -11.455 -3.341 1.00 72.34 O ATOM 966 CB LYS A 58 -0.679 -12.423 -1.714 1.00 51.45 C ATOM 967 CG LYS A 58 -0.001 -13.492 -0.818 1.00 72.52 C ATOM 968 CD LYS A 58 -0.875 -14.761 -0.651 1.00 62.15 C ATOM 969 CE LYS A 58 -1.164 -15.472 -1.987 1.00 41.35 C ATOM 970 NZ LYS A 58 -2.127 -16.595 -1.822 1.00 2.20 N ATOM 0 H LYS A 58 -1.059 -10.659 -3.503 1.00 45.51 H new ATOM 0 HA LYS A 58 -0.014 -10.607 -0.753 1.00 3.22 H new ATOM 0 HB2 LYS A 58 -1.703 -12.281 -1.369 1.00 51.45 H new ATOM 0 HB3 LYS A 58 -0.737 -12.810 -2.731 1.00 51.45 H new ATOM 0 HG2 LYS A 58 0.960 -13.770 -1.252 1.00 72.52 H new ATOM 0 HG3 LYS A 58 0.204 -13.063 0.163 1.00 72.52 H new ATOM 0 HD2 LYS A 58 -0.373 -15.455 0.023 1.00 62.15 H new ATOM 0 HD3 LYS A 58 -1.819 -14.486 -0.180 1.00 62.15 H new ATOM 0 HE2 LYS A 58 -1.564 -14.753 -2.702 1.00 41.35 H new ATOM 0 HE3 LYS A 58 -0.232 -15.852 -2.405 1.00 41.35 H new ATOM 0 HZ1 LYS A 58 -2.055 -17.237 -2.637 1.00 2.20 H new ATOM 0 HZ2 LYS A 58 -1.906 -17.117 -0.950 1.00 2.20 H new ATOM 0 HZ3 LYS A 58 -3.094 -16.217 -1.763 1.00 2.20 H new ATOM 984 N VAL A 59 2.397 -11.012 -1.204 1.00 41.40 N ATOM 985 CA VAL A 59 3.851 -11.148 -1.397 1.00 55.20 C ATOM 986 C VAL A 59 4.365 -12.308 -0.531 1.00 41.35 C ATOM 987 O VAL A 59 3.767 -12.621 0.511 1.00 61.04 O ATOM 988 CB VAL A 59 4.594 -9.814 -1.018 1.00 13.42 C ATOM 989 CG1 VAL A 59 4.321 -8.711 -2.064 1.00 63.40 C ATOM 990 CG2 VAL A 59 4.191 -9.343 0.403 1.00 75.35 C ATOM 0 H VAL A 59 2.140 -10.766 -0.248 1.00 41.40 H new ATOM 0 HA VAL A 59 4.053 -11.356 -2.448 1.00 55.20 H new ATOM 0 HB VAL A 59 5.665 -10.014 -1.016 1.00 13.42 H new ATOM 0 HG11 VAL A 59 4.846 -7.800 -1.778 1.00 63.40 H new ATOM 0 HG12 VAL A 59 4.673 -9.041 -3.041 1.00 63.40 H new ATOM 0 HG13 VAL A 59 3.250 -8.512 -2.112 1.00 63.40 H new ATOM 0 HG21 VAL A 59 4.717 -8.419 0.643 1.00 75.35 H new ATOM 0 HG22 VAL A 59 3.116 -9.167 0.437 1.00 75.35 H new ATOM 0 HG23 VAL A 59 4.456 -10.111 1.130 1.00 75.35 H new ATOM 1000 N LYS A 60 5.466 -12.946 -0.966 1.00 51.13 N ATOM 1001 CA LYS A 60 6.080 -14.067 -0.226 1.00 32.25 C ATOM 1002 C LYS A 60 6.966 -13.561 0.935 1.00 60.45 C ATOM 1003 O LYS A 60 7.152 -14.278 1.926 1.00 73.35 O ATOM 1004 CB LYS A 60 6.844 -15.035 -1.202 1.00 24.25 C ATOM 1005 CG LYS A 60 7.890 -14.400 -2.168 1.00 73.13 C ATOM 1006 CD LYS A 60 9.246 -14.029 -1.513 1.00 35.03 C ATOM 1007 CE LYS A 60 10.016 -15.235 -0.952 1.00 63.32 C ATOM 1008 NZ LYS A 60 10.433 -16.174 -2.021 1.00 62.15 N ATOM 0 H LYS A 60 5.952 -12.704 -1.830 1.00 51.13 H new ATOM 0 HA LYS A 60 5.282 -14.651 0.233 1.00 32.25 H new ATOM 0 HB2 LYS A 60 7.354 -15.787 -0.600 1.00 24.25 H new ATOM 0 HB3 LYS A 60 6.103 -15.559 -1.805 1.00 24.25 H new ATOM 0 HG2 LYS A 60 8.077 -15.096 -2.986 1.00 73.13 H new ATOM 0 HG3 LYS A 60 7.458 -13.501 -2.607 1.00 73.13 H new ATOM 0 HD2 LYS A 60 9.869 -13.524 -2.251 1.00 35.03 H new ATOM 0 HD3 LYS A 60 9.067 -13.318 -0.707 1.00 35.03 H new ATOM 0 HE2 LYS A 60 10.897 -14.884 -0.414 1.00 63.32 H new ATOM 0 HE3 LYS A 60 9.390 -15.761 -0.231 1.00 63.32 H new ATOM 0 HZ1 LYS A 60 11.007 -16.937 -1.608 1.00 62.15 H new ATOM 0 HZ2 LYS A 60 9.590 -16.581 -2.474 1.00 62.15 H new ATOM 0 HZ3 LYS A 60 10.995 -15.664 -2.732 1.00 62.15 H new ATOM 1022 N ASP A 61 7.473 -12.309 0.819 1.00 75.34 N ATOM 1023 CA ASP A 61 8.382 -11.707 1.828 1.00 51.51 C ATOM 1024 C ASP A 61 8.548 -10.184 1.599 1.00 14.30 C ATOM 1025 O ASP A 61 8.168 -9.653 0.546 1.00 50.42 O ATOM 1026 CB ASP A 61 9.766 -12.431 1.804 1.00 10.21 C ATOM 1027 CG ASP A 61 10.657 -12.092 3.009 1.00 73.42 C ATOM 1028 OD1 ASP A 61 10.393 -12.602 4.115 1.00 24.13 O ATOM 1029 OD2 ASP A 61 11.625 -11.321 2.855 1.00 51.12 O ATOM 0 H ASP A 61 7.267 -11.693 0.033 1.00 75.34 H new ATOM 0 HA ASP A 61 7.936 -11.841 2.814 1.00 51.51 H new ATOM 0 HB2 ASP A 61 9.603 -13.508 1.775 1.00 10.21 H new ATOM 0 HB3 ASP A 61 10.291 -12.163 0.887 1.00 10.21 H new ATOM 1034 N ASP A 62 9.103 -9.492 2.618 1.00 31.24 N ATOM 1035 CA ASP A 62 9.408 -8.044 2.581 1.00 22.24 C ATOM 1036 C ASP A 62 10.519 -7.715 1.560 1.00 44.12 C ATOM 1037 O ASP A 62 10.516 -6.643 0.948 1.00 30.10 O ATOM 1038 CB ASP A 62 9.828 -7.567 3.994 1.00 44.50 C ATOM 1039 CG ASP A 62 9.974 -6.039 4.107 1.00 74.20 C ATOM 1040 OD1 ASP A 62 8.936 -5.348 4.209 1.00 12.15 O ATOM 1041 OD2 ASP A 62 11.115 -5.522 4.095 1.00 42.21 O ATOM 0 H ASP A 62 9.356 -9.930 3.504 1.00 31.24 H new ATOM 0 HA ASP A 62 8.507 -7.519 2.264 1.00 22.24 H new ATOM 0 HB2 ASP A 62 9.089 -7.908 4.719 1.00 44.50 H new ATOM 0 HB3 ASP A 62 10.775 -8.035 4.260 1.00 44.50 H new ATOM 1046 N ASP A 63 11.491 -8.633 1.436 1.00 51.11 N ATOM 1047 CA ASP A 63 12.531 -8.572 0.380 1.00 64.23 C ATOM 1048 C ASP A 63 11.888 -8.530 -1.026 1.00 35.44 C ATOM 1049 O ASP A 63 12.319 -7.767 -1.899 1.00 44.44 O ATOM 1050 CB ASP A 63 13.510 -9.767 0.482 1.00 34.20 C ATOM 1051 CG ASP A 63 14.631 -9.698 -0.573 1.00 42.11 C ATOM 1052 OD1 ASP A 63 15.527 -8.839 -0.431 1.00 45.13 O ATOM 1053 OD2 ASP A 63 14.598 -10.455 -1.570 1.00 24.33 O ATOM 0 H ASP A 63 11.584 -9.436 2.058 1.00 51.11 H new ATOM 0 HA ASP A 63 13.097 -7.653 0.533 1.00 64.23 H new ATOM 0 HB2 ASP A 63 13.953 -9.787 1.478 1.00 34.20 H new ATOM 0 HB3 ASP A 63 12.957 -10.698 0.360 1.00 34.20 H new ATOM 1058 N ASP A 64 10.806 -9.313 -1.188 1.00 75.30 N ATOM 1059 CA ASP A 64 10.028 -9.388 -2.440 1.00 61.34 C ATOM 1060 C ASP A 64 9.263 -8.071 -2.677 1.00 12.14 C ATOM 1061 O ASP A 64 9.118 -7.644 -3.818 1.00 12.42 O ATOM 1062 CB ASP A 64 9.038 -10.574 -2.376 1.00 64.53 C ATOM 1063 CG ASP A 64 8.176 -10.732 -3.646 1.00 25.22 C ATOM 1064 OD1 ASP A 64 8.673 -11.287 -4.647 1.00 11.10 O ATOM 1065 OD2 ASP A 64 6.995 -10.315 -3.642 1.00 52.21 O ATOM 0 H ASP A 64 10.444 -9.916 -0.449 1.00 75.30 H new ATOM 0 HA ASP A 64 10.716 -9.544 -3.271 1.00 61.34 H new ATOM 0 HB2 ASP A 64 9.598 -11.495 -2.211 1.00 64.53 H new ATOM 0 HB3 ASP A 64 8.381 -10.442 -1.516 1.00 64.53 H new ATOM 1070 N ILE A 65 8.789 -7.456 -1.566 1.00 71.14 N ATOM 1071 CA ILE A 65 8.096 -6.141 -1.574 1.00 42.11 C ATOM 1072 C ILE A 65 8.941 -5.053 -2.275 1.00 71.41 C ATOM 1073 O ILE A 65 8.448 -4.361 -3.169 1.00 14.32 O ATOM 1074 CB ILE A 65 7.726 -5.684 -0.103 1.00 52.53 C ATOM 1075 CG1 ILE A 65 6.555 -6.556 0.449 1.00 71.33 C ATOM 1076 CG2 ILE A 65 7.417 -4.168 0.000 1.00 44.44 C ATOM 1077 CD1 ILE A 65 6.062 -6.192 1.840 1.00 34.21 C ATOM 0 H ILE A 65 8.876 -7.859 -0.633 1.00 71.14 H new ATOM 0 HA ILE A 65 7.174 -6.268 -2.142 1.00 42.11 H new ATOM 0 HB ILE A 65 8.605 -5.844 0.521 1.00 52.53 H new ATOM 0 HG12 ILE A 65 5.716 -6.486 -0.244 1.00 71.33 H new ATOM 0 HG13 ILE A 65 6.875 -7.598 0.458 1.00 71.33 H new ATOM 0 HG21 ILE A 65 7.171 -3.916 1.031 1.00 44.44 H new ATOM 0 HG22 ILE A 65 8.290 -3.596 -0.314 1.00 44.44 H new ATOM 0 HG23 ILE A 65 6.573 -3.924 -0.645 1.00 44.44 H new ATOM 0 HD11 ILE A 65 5.249 -6.860 2.124 1.00 34.21 H new ATOM 0 HD12 ILE A 65 6.880 -6.292 2.554 1.00 34.21 H new ATOM 0 HD13 ILE A 65 5.703 -5.163 1.841 1.00 34.21 H new ATOM 1089 N ASP A 66 10.220 -4.929 -1.881 1.00 71.11 N ATOM 1090 CA ASP A 66 11.124 -3.918 -2.454 1.00 0.35 C ATOM 1091 C ASP A 66 11.329 -4.143 -3.962 1.00 10.42 C ATOM 1092 O ASP A 66 11.338 -3.187 -4.734 1.00 53.52 O ATOM 1093 CB ASP A 66 12.482 -3.897 -1.717 1.00 34.30 C ATOM 1094 CG ASP A 66 13.433 -2.828 -2.287 1.00 13.22 C ATOM 1095 OD1 ASP A 66 13.213 -1.630 -2.022 1.00 33.42 O ATOM 1096 OD2 ASP A 66 14.382 -3.175 -3.025 1.00 10.30 O ATOM 0 H ASP A 66 10.651 -5.517 -1.168 1.00 71.11 H new ATOM 0 HA ASP A 66 10.651 -2.945 -2.319 1.00 0.35 H new ATOM 0 HB2 ASP A 66 12.316 -3.706 -0.657 1.00 34.30 H new ATOM 0 HB3 ASP A 66 12.951 -4.878 -1.794 1.00 34.30 H new ATOM 1101 N LYS A 67 11.441 -5.424 -4.362 1.00 0.22 N ATOM 1102 CA LYS A 67 11.567 -5.808 -5.780 1.00 20.43 C ATOM 1103 C LYS A 67 10.242 -5.531 -6.541 1.00 61.21 C ATOM 1104 O LYS A 67 10.265 -5.171 -7.727 1.00 52.12 O ATOM 1105 CB LYS A 67 11.977 -7.310 -5.933 1.00 41.15 C ATOM 1106 CG LYS A 67 13.506 -7.629 -5.960 1.00 44.54 C ATOM 1107 CD LYS A 67 14.171 -7.830 -4.569 1.00 5.31 C ATOM 1108 CE LYS A 67 14.560 -6.525 -3.859 1.00 61.31 C ATOM 1109 NZ LYS A 67 15.192 -6.793 -2.536 1.00 60.33 N ATOM 0 H LYS A 67 11.447 -6.215 -3.718 1.00 0.22 H new ATOM 0 HA LYS A 67 12.358 -5.199 -6.217 1.00 20.43 H new ATOM 0 HB2 LYS A 67 11.529 -7.869 -5.111 1.00 41.15 H new ATOM 0 HB3 LYS A 67 11.536 -7.689 -6.855 1.00 41.15 H new ATOM 0 HG2 LYS A 67 13.661 -8.531 -6.552 1.00 44.54 H new ATOM 0 HG3 LYS A 67 14.020 -6.818 -6.476 1.00 44.54 H new ATOM 0 HD2 LYS A 67 13.487 -8.388 -3.930 1.00 5.31 H new ATOM 0 HD3 LYS A 67 15.064 -8.443 -4.692 1.00 5.31 H new ATOM 0 HE2 LYS A 67 15.250 -5.960 -4.486 1.00 61.31 H new ATOM 0 HE3 LYS A 67 13.674 -5.906 -3.722 1.00 61.31 H new ATOM 0 HZ1 LYS A 67 14.656 -6.305 -1.790 1.00 60.33 H new ATOM 0 HZ2 LYS A 67 15.190 -7.816 -2.351 1.00 60.33 H new ATOM 0 HZ3 LYS A 67 16.172 -6.445 -2.542 1.00 60.33 H new ATOM 1123 N TRP A 68 9.108 -5.697 -5.830 1.00 72.11 N ATOM 1124 CA TRP A 68 7.744 -5.515 -6.365 1.00 65.01 C ATOM 1125 C TRP A 68 7.531 -4.042 -6.768 1.00 51.53 C ATOM 1126 O TRP A 68 6.942 -3.747 -7.807 1.00 12.02 O ATOM 1127 CB TRP A 68 6.708 -5.958 -5.283 1.00 5.51 C ATOM 1128 CG TRP A 68 5.319 -6.247 -5.793 1.00 21.52 C ATOM 1129 CD1 TRP A 68 4.843 -7.463 -6.184 1.00 54.44 C ATOM 1130 CD2 TRP A 68 4.226 -5.327 -5.932 1.00 43.35 C ATOM 1131 NE1 TRP A 68 3.541 -7.354 -6.583 1.00 11.22 N ATOM 1132 CE2 TRP A 68 3.136 -6.054 -6.438 1.00 22.12 C ATOM 1133 CE3 TRP A 68 4.067 -3.955 -5.693 1.00 41.40 C ATOM 1134 CZ2 TRP A 68 1.901 -5.467 -6.691 1.00 71.51 C ATOM 1135 CZ3 TRP A 68 2.838 -3.373 -5.938 1.00 24.11 C ATOM 1136 CH2 TRP A 68 1.771 -4.130 -6.441 1.00 62.11 C ATOM 0 H TRP A 68 9.116 -5.967 -4.846 1.00 72.11 H new ATOM 0 HA TRP A 68 7.607 -6.130 -7.255 1.00 65.01 H new ATOM 0 HB2 TRP A 68 7.087 -6.851 -4.787 1.00 5.51 H new ATOM 0 HB3 TRP A 68 6.643 -5.176 -4.526 1.00 5.51 H new ATOM 0 HD1 TRP A 68 5.413 -8.380 -6.179 1.00 54.44 H new ATOM 0 HE1 TRP A 68 2.963 -8.118 -6.933 1.00 11.22 H new ATOM 0 HE3 TRP A 68 4.891 -3.363 -5.324 1.00 41.40 H new ATOM 0 HZ2 TRP A 68 1.074 -6.048 -7.072 1.00 71.51 H new ATOM 0 HZ3 TRP A 68 2.698 -2.321 -5.739 1.00 24.11 H new ATOM 0 HH2 TRP A 68 0.825 -3.646 -6.635 1.00 62.11 H new ATOM 1147 N ILE A 69 8.052 -3.130 -5.933 1.00 24.41 N ATOM 1148 CA ILE A 69 8.020 -1.679 -6.190 1.00 14.03 C ATOM 1149 C ILE A 69 9.075 -1.306 -7.252 1.00 61.04 C ATOM 1150 O ILE A 69 8.800 -0.499 -8.156 1.00 71.21 O ATOM 1151 CB ILE A 69 8.242 -0.860 -4.843 1.00 22.23 C ATOM 1152 CG1 ILE A 69 6.912 -0.760 -4.018 1.00 24.24 C ATOM 1153 CG2 ILE A 69 8.851 0.554 -5.066 1.00 64.00 C ATOM 1154 CD1 ILE A 69 6.439 -2.046 -3.374 1.00 54.13 C ATOM 0 H ILE A 69 8.510 -3.378 -5.056 1.00 24.41 H new ATOM 0 HA ILE A 69 7.036 -1.413 -6.577 1.00 14.03 H new ATOM 0 HB ILE A 69 8.978 -1.426 -4.271 1.00 22.23 H new ATOM 0 HG12 ILE A 69 7.047 -0.012 -3.236 1.00 24.24 H new ATOM 0 HG13 ILE A 69 6.124 -0.394 -4.677 1.00 24.24 H new ATOM 0 HG21 ILE A 69 8.974 1.053 -4.105 1.00 64.00 H new ATOM 0 HG22 ILE A 69 9.822 0.459 -5.552 1.00 64.00 H new ATOM 0 HG23 ILE A 69 8.185 1.142 -5.697 1.00 64.00 H new ATOM 0 HD11 ILE A 69 5.513 -1.861 -2.830 1.00 54.13 H new ATOM 0 HD12 ILE A 69 6.263 -2.796 -4.145 1.00 54.13 H new ATOM 0 HD13 ILE A 69 7.200 -2.408 -2.683 1.00 54.13 H new ATOM 1166 N ASP A 70 10.263 -1.949 -7.147 1.00 54.31 N ATOM 1167 CA ASP A 70 11.453 -1.633 -7.968 1.00 41.32 C ATOM 1168 C ASP A 70 11.146 -1.765 -9.464 1.00 63.10 C ATOM 1169 O ASP A 70 11.511 -0.892 -10.269 1.00 54.33 O ATOM 1170 CB ASP A 70 12.648 -2.551 -7.575 1.00 62.22 C ATOM 1171 CG ASP A 70 13.976 -2.101 -8.206 1.00 21.12 C ATOM 1172 OD1 ASP A 70 14.639 -1.207 -7.625 1.00 75.23 O ATOM 1173 OD2 ASP A 70 14.362 -2.627 -9.273 1.00 72.34 O ATOM 0 H ASP A 70 10.422 -2.708 -6.484 1.00 54.31 H new ATOM 0 HA ASP A 70 11.729 -0.597 -7.771 1.00 41.32 H new ATOM 0 HB2 ASP A 70 12.751 -2.561 -6.490 1.00 62.22 H new ATOM 0 HB3 ASP A 70 12.432 -3.574 -7.884 1.00 62.22 H new ATOM 1178 N LYS A 71 10.436 -2.858 -9.811 1.00 23.25 N ATOM 1179 CA LYS A 71 10.053 -3.139 -11.198 1.00 22.23 C ATOM 1180 C LYS A 71 9.012 -2.127 -11.711 1.00 63.24 C ATOM 1181 O LYS A 71 9.156 -1.649 -12.819 1.00 61.02 O ATOM 1182 CB LYS A 71 9.544 -4.596 -11.382 1.00 30.51 C ATOM 1183 CG LYS A 71 8.303 -4.987 -10.543 1.00 33.11 C ATOM 1184 CD LYS A 71 7.811 -6.424 -10.836 1.00 52.12 C ATOM 1185 CE LYS A 71 8.864 -7.499 -10.518 1.00 22.12 C ATOM 1186 NZ LYS A 71 9.216 -7.525 -9.075 1.00 50.23 N ATOM 0 H LYS A 71 10.118 -3.559 -9.142 1.00 23.25 H new ATOM 0 HA LYS A 71 10.956 -3.031 -11.799 1.00 22.23 H new ATOM 0 HB2 LYS A 71 9.310 -4.749 -12.436 1.00 30.51 H new ATOM 0 HB3 LYS A 71 10.357 -5.279 -11.134 1.00 30.51 H new ATOM 0 HG2 LYS A 71 8.544 -4.899 -9.484 1.00 33.11 H new ATOM 0 HG3 LYS A 71 7.496 -4.283 -10.746 1.00 33.11 H new ATOM 0 HD2 LYS A 71 6.912 -6.620 -10.251 1.00 52.12 H new ATOM 0 HD3 LYS A 71 7.530 -6.498 -11.887 1.00 52.12 H new ATOM 0 HE2 LYS A 71 8.485 -8.477 -10.816 1.00 22.12 H new ATOM 0 HE3 LYS A 71 9.762 -7.312 -11.107 1.00 22.12 H new ATOM 0 HZ1 LYS A 71 9.916 -8.275 -8.902 1.00 50.23 H new ATOM 0 HZ2 LYS A 71 9.617 -6.606 -8.799 1.00 50.23 H new ATOM 0 HZ3 LYS A 71 8.362 -7.712 -8.513 1.00 50.23 H new ATOM 1200 N ILE A 72 7.997 -1.775 -10.878 1.00 14.54 N ATOM 1201 CA ILE A 72 6.899 -0.852 -11.278 1.00 45.12 C ATOM 1202 C ILE A 72 7.434 0.567 -11.565 1.00 45.14 C ATOM 1203 O ILE A 72 6.929 1.260 -12.463 1.00 35.04 O ATOM 1204 CB ILE A 72 5.754 -0.796 -10.190 1.00 21.21 C ATOM 1205 CG1 ILE A 72 5.106 -2.208 -10.008 1.00 65.41 C ATOM 1206 CG2 ILE A 72 4.669 0.261 -10.547 1.00 43.32 C ATOM 1207 CD1 ILE A 72 3.975 -2.263 -8.995 1.00 72.25 C ATOM 0 H ILE A 72 7.916 -2.118 -9.921 1.00 14.54 H new ATOM 0 HA ILE A 72 6.470 -1.251 -12.197 1.00 45.12 H new ATOM 0 HB ILE A 72 6.209 -0.492 -9.248 1.00 21.21 H new ATOM 0 HG12 ILE A 72 4.728 -2.546 -10.973 1.00 65.41 H new ATOM 0 HG13 ILE A 72 5.881 -2.912 -9.705 1.00 65.41 H new ATOM 0 HG21 ILE A 72 3.900 0.268 -9.774 1.00 43.32 H new ATOM 0 HG22 ILE A 72 5.129 1.247 -10.611 1.00 43.32 H new ATOM 0 HG23 ILE A 72 4.217 0.009 -11.506 1.00 43.32 H new ATOM 0 HD11 ILE A 72 3.588 -3.280 -8.937 1.00 72.25 H new ATOM 0 HD12 ILE A 72 4.348 -1.960 -8.017 1.00 72.25 H new ATOM 0 HD13 ILE A 72 3.177 -1.588 -9.304 1.00 72.25 H new ATOM 1219 N LYS A 73 8.476 0.979 -10.818 1.00 11.42 N ATOM 1220 CA LYS A 73 9.165 2.262 -11.056 1.00 34.24 C ATOM 1221 C LYS A 73 9.775 2.305 -12.477 1.00 64.21 C ATOM 1222 O LYS A 73 9.790 3.357 -13.120 1.00 71.33 O ATOM 1223 CB LYS A 73 10.254 2.514 -9.977 1.00 42.45 C ATOM 1224 CG LYS A 73 9.698 2.726 -8.554 1.00 35.03 C ATOM 1225 CD LYS A 73 10.787 3.072 -7.512 1.00 30.30 C ATOM 1226 CE LYS A 73 11.804 1.938 -7.310 1.00 2.23 C ATOM 1227 NZ LYS A 73 12.797 2.260 -6.248 1.00 25.24 N ATOM 0 H LYS A 73 8.860 0.440 -10.042 1.00 11.42 H new ATOM 0 HA LYS A 73 8.427 3.060 -10.982 1.00 34.24 H new ATOM 0 HB2 LYS A 73 10.940 1.667 -9.964 1.00 42.45 H new ATOM 0 HB3 LYS A 73 10.836 3.391 -10.262 1.00 42.45 H new ATOM 0 HG2 LYS A 73 8.960 3.528 -8.576 1.00 35.03 H new ATOM 0 HG3 LYS A 73 9.177 1.822 -8.237 1.00 35.03 H new ATOM 0 HD2 LYS A 73 11.313 3.973 -7.829 1.00 30.30 H new ATOM 0 HD3 LYS A 73 10.311 3.300 -6.558 1.00 30.30 H new ATOM 0 HE2 LYS A 73 11.277 1.021 -7.047 1.00 2.23 H new ATOM 0 HE3 LYS A 73 12.326 1.748 -8.248 1.00 2.23 H new ATOM 0 HZ1 LYS A 73 13.464 1.469 -6.145 1.00 25.24 H new ATOM 0 HZ2 LYS A 73 13.319 3.120 -6.510 1.00 25.24 H new ATOM 0 HZ3 LYS A 73 12.303 2.416 -5.346 1.00 25.24 H new ATOM 1241 N LYS A 74 10.223 1.128 -12.959 1.00 0.55 N ATOM 1242 CA LYS A 74 10.815 0.955 -14.295 1.00 14.15 C ATOM 1243 C LYS A 74 9.710 0.844 -15.360 1.00 4.04 C ATOM 1244 O LYS A 74 9.786 1.501 -16.409 1.00 51.41 O ATOM 1245 CB LYS A 74 11.707 -0.316 -14.304 1.00 14.35 C ATOM 1246 CG LYS A 74 12.398 -0.625 -15.652 1.00 22.22 C ATOM 1247 CD LYS A 74 13.120 -1.994 -15.653 1.00 30.54 C ATOM 1248 CE LYS A 74 14.226 -2.098 -14.589 1.00 1.21 C ATOM 1249 NZ LYS A 74 14.862 -3.445 -14.578 1.00 22.33 N ATOM 0 H LYS A 74 10.182 0.262 -12.422 1.00 0.55 H new ATOM 0 HA LYS A 74 11.429 1.824 -14.531 1.00 14.15 H new ATOM 0 HB2 LYS A 74 12.474 -0.208 -13.537 1.00 14.35 H new ATOM 0 HB3 LYS A 74 11.094 -1.173 -14.023 1.00 14.35 H new ATOM 0 HG2 LYS A 74 11.654 -0.611 -16.449 1.00 22.22 H new ATOM 0 HG3 LYS A 74 13.119 0.162 -15.875 1.00 22.22 H new ATOM 0 HD2 LYS A 74 12.388 -2.784 -15.485 1.00 30.54 H new ATOM 0 HD3 LYS A 74 13.555 -2.167 -16.637 1.00 30.54 H new ATOM 0 HE2 LYS A 74 14.985 -1.340 -14.780 1.00 1.21 H new ATOM 0 HE3 LYS A 74 13.805 -1.887 -13.606 1.00 1.21 H new ATOM 0 HZ1 LYS A 74 15.602 -3.474 -13.847 1.00 22.33 H new ATOM 0 HZ2 LYS A 74 14.143 -4.167 -14.371 1.00 22.33 H new ATOM 0 HZ3 LYS A 74 15.286 -3.636 -15.508 1.00 22.33 H new ATOM 1263 N GLU A 75 8.685 0.016 -15.055 1.00 24.14 N ATOM 1264 CA GLU A 75 7.554 -0.271 -15.956 1.00 45.43 C ATOM 1265 C GLU A 75 6.855 1.031 -16.352 1.00 53.31 C ATOM 1266 O GLU A 75 6.727 1.363 -17.534 1.00 30.33 O ATOM 1267 CB GLU A 75 6.518 -1.214 -15.267 1.00 60.33 C ATOM 1268 CG GLU A 75 7.027 -2.619 -14.897 1.00 62.42 C ATOM 1269 CD GLU A 75 7.398 -3.476 -16.111 1.00 35.33 C ATOM 1270 OE1 GLU A 75 6.474 -3.941 -16.811 1.00 21.13 O ATOM 1271 OE2 GLU A 75 8.603 -3.686 -16.377 1.00 52.22 O ATOM 0 H GLU A 75 8.623 -0.476 -14.164 1.00 24.14 H new ATOM 0 HA GLU A 75 7.949 -0.765 -16.844 1.00 45.43 H new ATOM 0 HB2 GLU A 75 6.161 -0.728 -14.359 1.00 60.33 H new ATOM 0 HB3 GLU A 75 5.659 -1.323 -15.929 1.00 60.33 H new ATOM 0 HG2 GLU A 75 7.900 -2.522 -14.251 1.00 62.42 H new ATOM 0 HG3 GLU A 75 6.259 -3.134 -14.320 1.00 62.42 H new ATOM 1278 N ARG A 76 6.442 1.777 -15.321 1.00 51.20 N ATOM 1279 CA ARG A 76 5.626 2.981 -15.448 1.00 31.40 C ATOM 1280 C ARG A 76 6.410 4.158 -14.809 1.00 2.53 C ATOM 1281 O ARG A 76 6.176 4.505 -13.647 1.00 22.31 O ATOM 1282 CB ARG A 76 4.247 2.739 -14.750 1.00 20.32 C ATOM 1283 CG ARG A 76 3.586 1.375 -15.090 1.00 64.12 C ATOM 1284 CD ARG A 76 2.262 1.139 -14.347 1.00 10.24 C ATOM 1285 NE ARG A 76 1.210 2.059 -14.791 1.00 3.04 N ATOM 1286 CZ ARG A 76 -0.049 2.081 -14.334 1.00 13.03 C ATOM 1287 NH1 ARG A 76 -0.454 1.233 -13.384 1.00 31.43 N ATOM 1288 NH2 ARG A 76 -0.904 2.949 -14.852 1.00 40.23 N ATOM 0 H ARG A 76 6.674 1.551 -14.354 1.00 51.20 H new ATOM 0 HA ARG A 76 5.424 3.225 -16.491 1.00 31.40 H new ATOM 0 HB2 ARG A 76 4.384 2.804 -13.671 1.00 20.32 H new ATOM 0 HB3 ARG A 76 3.565 3.540 -15.033 1.00 20.32 H new ATOM 0 HG2 ARG A 76 3.406 1.324 -16.164 1.00 64.12 H new ATOM 0 HG3 ARG A 76 4.280 0.571 -14.845 1.00 64.12 H new ATOM 0 HD2 ARG A 76 1.935 0.111 -14.506 1.00 10.24 H new ATOM 0 HD3 ARG A 76 2.421 1.261 -13.276 1.00 10.24 H new ATOM 0 HE ARG A 76 1.458 2.740 -15.509 1.00 3.04 H new ATOM 0 HH11 ARG A 76 0.200 0.554 -12.994 1.00 31.43 H new ATOM 0 HH12 ARG A 76 -1.417 1.265 -13.049 1.00 31.43 H new ATOM 0 HH21 ARG A 76 -0.600 3.587 -15.587 1.00 40.23 H new ATOM 0 HH22 ARG A 76 -1.867 2.979 -14.516 1.00 40.23 H new ATOM 1302 N PRO A 77 7.389 4.771 -15.557 1.00 71.10 N ATOM 1303 CA PRO A 77 8.234 5.876 -15.025 1.00 51.22 C ATOM 1304 C PRO A 77 7.458 7.214 -14.933 1.00 2.41 C ATOM 1305 O PRO A 77 7.968 8.210 -14.405 1.00 23.31 O ATOM 1306 CB PRO A 77 9.387 5.940 -16.055 1.00 24.23 C ATOM 1307 CG PRO A 77 8.759 5.514 -17.348 1.00 44.21 C ATOM 1308 CD PRO A 77 7.737 4.458 -16.977 1.00 51.03 C ATOM 0 HA PRO A 77 8.576 5.703 -14.005 1.00 51.22 H new ATOM 0 HB2 PRO A 77 9.800 6.946 -16.127 1.00 24.23 H new ATOM 0 HB3 PRO A 77 10.207 5.278 -15.775 1.00 24.23 H new ATOM 0 HG2 PRO A 77 8.286 6.358 -17.851 1.00 44.21 H new ATOM 0 HG3 PRO A 77 9.506 5.113 -18.033 1.00 44.21 H new ATOM 0 HD2 PRO A 77 6.860 4.508 -17.623 1.00 51.03 H new ATOM 0 HD3 PRO A 77 8.148 3.453 -17.075 1.00 51.03 H new ATOM 1316 N GLN A 78 6.213 7.200 -15.452 1.00 51.44 N ATOM 1317 CA GLN A 78 5.300 8.350 -15.440 1.00 63.53 C ATOM 1318 C GLN A 78 4.793 8.671 -14.013 1.00 41.25 C ATOM 1319 O GLN A 78 4.315 9.786 -13.757 1.00 40.12 O ATOM 1320 CB GLN A 78 4.084 8.069 -16.358 1.00 34.32 C ATOM 1321 CG GLN A 78 3.131 6.948 -15.865 1.00 34.54 C ATOM 1322 CD GLN A 78 1.686 7.092 -16.348 1.00 43.44 C ATOM 1323 OE1 GLN A 78 0.754 6.754 -15.623 1.00 22.24 O ATOM 1324 NE2 GLN A 78 1.484 7.563 -17.574 1.00 22.23 N ATOM 0 H GLN A 78 5.812 6.374 -15.897 1.00 51.44 H new ATOM 0 HA GLN A 78 5.858 9.212 -15.805 1.00 63.53 H new ATOM 0 HB2 GLN A 78 3.511 8.990 -16.467 1.00 34.32 H new ATOM 0 HB3 GLN A 78 4.451 7.802 -17.349 1.00 34.32 H new ATOM 0 HG2 GLN A 78 3.519 5.985 -16.198 1.00 34.54 H new ATOM 0 HG3 GLN A 78 3.138 6.935 -14.775 1.00 34.54 H new ATOM 0 HE21 GLN A 78 2.278 7.836 -18.153 1.00 22.23 H new ATOM 0 HE22 GLN A 78 0.535 7.652 -17.936 1.00 22.23 H new ATOM 1333 N LEU A 79 4.880 7.673 -13.110 1.00 31.51 N ATOM 1334 CA LEU A 79 4.344 7.763 -11.740 1.00 3.45 C ATOM 1335 C LEU A 79 5.418 7.431 -10.697 1.00 31.14 C ATOM 1336 O LEU A 79 6.347 6.672 -10.975 1.00 13.32 O ATOM 1337 CB LEU A 79 3.067 6.855 -11.596 1.00 14.35 C ATOM 1338 CG LEU A 79 3.122 5.382 -12.152 1.00 53.51 C ATOM 1339 CD1 LEU A 79 3.916 4.419 -11.242 1.00 31.22 C ATOM 1340 CD2 LEU A 79 1.701 4.832 -12.422 1.00 60.44 C ATOM 0 H LEU A 79 5.326 6.779 -13.313 1.00 31.51 H new ATOM 0 HA LEU A 79 4.040 8.792 -11.550 1.00 3.45 H new ATOM 0 HB2 LEU A 79 2.818 6.800 -10.536 1.00 14.35 H new ATOM 0 HB3 LEU A 79 2.241 7.365 -12.091 1.00 14.35 H new ATOM 0 HG LEU A 79 3.663 5.436 -13.097 1.00 53.51 H new ATOM 0 HD11 LEU A 79 3.916 3.421 -11.681 1.00 31.22 H new ATOM 0 HD12 LEU A 79 4.942 4.773 -11.145 1.00 31.22 H new ATOM 0 HD13 LEU A 79 3.450 4.382 -10.257 1.00 31.22 H new ATOM 0 HD21 LEU A 79 1.772 3.814 -12.805 1.00 60.44 H new ATOM 0 HD22 LEU A 79 1.129 4.832 -11.494 1.00 60.44 H new ATOM 0 HD23 LEU A 79 1.201 5.462 -13.157 1.00 60.44 H new ATOM 1352 N GLU A 80 5.285 8.032 -9.501 1.00 54.43 N ATOM 1353 CA GLU A 80 6.133 7.710 -8.341 1.00 21.44 C ATOM 1354 C GLU A 80 5.545 6.494 -7.622 1.00 23.31 C ATOM 1355 O GLU A 80 4.329 6.286 -7.662 1.00 23.02 O ATOM 1356 CB GLU A 80 6.222 8.922 -7.371 1.00 12.23 C ATOM 1357 CG GLU A 80 6.738 10.226 -8.014 1.00 45.33 C ATOM 1358 CD GLU A 80 8.147 10.090 -8.622 1.00 34.03 C ATOM 1359 OE1 GLU A 80 9.134 10.091 -7.861 1.00 13.30 O ATOM 1360 OE2 GLU A 80 8.270 9.980 -9.857 1.00 62.52 O ATOM 0 H GLU A 80 4.588 8.753 -9.312 1.00 54.43 H new ATOM 0 HA GLU A 80 7.143 7.483 -8.683 1.00 21.44 H new ATOM 0 HB2 GLU A 80 5.233 9.107 -6.951 1.00 12.23 H new ATOM 0 HB3 GLU A 80 6.877 8.658 -6.541 1.00 12.23 H new ATOM 0 HG2 GLU A 80 6.042 10.539 -8.793 1.00 45.33 H new ATOM 0 HG3 GLU A 80 6.749 11.014 -7.261 1.00 45.33 H new ATOM 1367 N VAL A 81 6.408 5.690 -6.988 1.00 32.33 N ATOM 1368 CA VAL A 81 5.997 4.469 -6.268 1.00 2.01 C ATOM 1369 C VAL A 81 6.653 4.492 -4.879 1.00 13.44 C ATOM 1370 O VAL A 81 7.858 4.270 -4.757 1.00 12.42 O ATOM 1371 CB VAL A 81 6.399 3.148 -7.047 1.00 30.10 C ATOM 1372 CG1 VAL A 81 5.732 1.909 -6.420 1.00 33.10 C ATOM 1373 CG2 VAL A 81 6.080 3.237 -8.564 1.00 3.04 C ATOM 0 H VAL A 81 7.413 5.864 -6.957 1.00 32.33 H new ATOM 0 HA VAL A 81 4.910 4.459 -6.183 1.00 2.01 H new ATOM 0 HB VAL A 81 7.480 3.043 -6.952 1.00 30.10 H new ATOM 0 HG11 VAL A 81 6.026 1.018 -6.975 1.00 33.10 H new ATOM 0 HG12 VAL A 81 6.049 1.811 -5.382 1.00 33.10 H new ATOM 0 HG13 VAL A 81 4.648 2.020 -6.459 1.00 33.10 H new ATOM 0 HG21 VAL A 81 6.374 2.308 -9.053 1.00 3.04 H new ATOM 0 HG22 VAL A 81 5.011 3.397 -8.702 1.00 3.04 H new ATOM 0 HG23 VAL A 81 6.631 4.068 -9.004 1.00 3.04 H new ATOM 1383 N ARG A 82 5.850 4.763 -3.839 1.00 41.12 N ATOM 1384 CA ARG A 82 6.346 4.983 -2.466 1.00 20.54 C ATOM 1385 C ARG A 82 6.074 3.737 -1.616 1.00 42.02 C ATOM 1386 O ARG A 82 4.974 3.194 -1.662 1.00 34.21 O ATOM 1387 CB ARG A 82 5.642 6.220 -1.840 1.00 3.22 C ATOM 1388 CG ARG A 82 6.019 6.531 -0.362 1.00 4.11 C ATOM 1389 CD ARG A 82 7.522 6.805 -0.173 1.00 41.20 C ATOM 1390 NE ARG A 82 7.888 7.113 1.220 1.00 51.42 N ATOM 1391 CZ ARG A 82 9.129 7.447 1.623 1.00 50.44 C ATOM 1392 NH1 ARG A 82 10.137 7.515 0.749 1.00 71.35 N ATOM 1393 NH2 ARG A 82 9.357 7.714 2.899 1.00 75.23 N ATOM 0 H ARG A 82 4.836 4.837 -3.923 1.00 41.12 H new ATOM 0 HA ARG A 82 7.420 5.168 -2.496 1.00 20.54 H new ATOM 0 HB2 ARG A 82 5.875 7.095 -2.447 1.00 3.22 H new ATOM 0 HB3 ARG A 82 4.564 6.070 -1.898 1.00 3.22 H new ATOM 0 HG2 ARG A 82 5.451 7.397 -0.022 1.00 4.11 H new ATOM 0 HG3 ARG A 82 5.726 5.691 0.267 1.00 4.11 H new ATOM 0 HD2 ARG A 82 8.087 5.935 -0.506 1.00 41.20 H new ATOM 0 HD3 ARG A 82 7.815 7.639 -0.811 1.00 41.20 H new ATOM 0 HE ARG A 82 7.153 7.071 1.926 1.00 51.42 H new ATOM 0 HH11 ARG A 82 9.972 7.313 -0.237 1.00 71.35 H new ATOM 0 HH12 ARG A 82 11.072 7.769 1.068 1.00 71.35 H new ATOM 0 HH21 ARG A 82 8.594 7.667 3.574 1.00 75.23 H new ATOM 0 HH22 ARG A 82 10.296 7.967 3.207 1.00 75.23 H new ATOM 1407 N LYS A 83 7.082 3.298 -0.835 1.00 75.11 N ATOM 1408 CA LYS A 83 6.918 2.206 0.134 1.00 64.25 C ATOM 1409 C LYS A 83 6.590 2.793 1.513 1.00 14.51 C ATOM 1410 O LYS A 83 7.432 3.458 2.139 1.00 40.50 O ATOM 1411 CB LYS A 83 8.184 1.319 0.225 1.00 44.53 C ATOM 1412 CG LYS A 83 8.561 0.598 -1.093 1.00 22.44 C ATOM 1413 CD LYS A 83 9.279 -0.760 -0.876 1.00 71.40 C ATOM 1414 CE LYS A 83 10.543 -0.644 -0.014 1.00 73.52 C ATOM 1415 NZ LYS A 83 11.554 0.250 -0.626 1.00 34.01 N ATOM 0 H LYS A 83 8.023 3.690 -0.861 1.00 75.11 H new ATOM 0 HA LYS A 83 6.099 1.573 -0.207 1.00 64.25 H new ATOM 0 HB2 LYS A 83 9.024 1.939 0.538 1.00 44.53 H new ATOM 0 HB3 LYS A 83 8.032 0.571 1.003 1.00 44.53 H new ATOM 0 HG2 LYS A 83 7.656 0.432 -1.678 1.00 22.44 H new ATOM 0 HG3 LYS A 83 9.206 1.250 -1.682 1.00 22.44 H new ATOM 0 HD2 LYS A 83 8.588 -1.458 -0.404 1.00 71.40 H new ATOM 0 HD3 LYS A 83 9.545 -1.182 -1.845 1.00 71.40 H new ATOM 0 HE2 LYS A 83 10.275 -0.266 0.973 1.00 73.52 H new ATOM 0 HE3 LYS A 83 10.975 -1.634 0.130 1.00 73.52 H new ATOM 0 HZ1 LYS A 83 11.814 0.995 0.052 1.00 34.01 H new ATOM 0 HZ2 LYS A 83 12.399 -0.302 -0.876 1.00 34.01 H new ATOM 0 HZ3 LYS A 83 11.159 0.685 -1.484 1.00 34.01 H new ATOM 1429 N VAL A 84 5.352 2.564 1.954 1.00 73.52 N ATOM 1430 CA VAL A 84 4.871 2.967 3.278 1.00 72.40 C ATOM 1431 C VAL A 84 4.951 1.750 4.212 1.00 44.41 C ATOM 1432 O VAL A 84 4.033 0.934 4.301 1.00 24.53 O ATOM 1433 CB VAL A 84 3.411 3.547 3.170 1.00 4.31 C ATOM 1434 CG1 VAL A 84 2.759 3.784 4.548 1.00 11.13 C ATOM 1435 CG2 VAL A 84 3.413 4.841 2.321 1.00 53.21 C ATOM 0 H VAL A 84 4.645 2.087 1.394 1.00 73.52 H new ATOM 0 HA VAL A 84 5.492 3.761 3.692 1.00 72.40 H new ATOM 0 HB VAL A 84 2.799 2.796 2.670 1.00 4.31 H new ATOM 0 HG11 VAL A 84 1.754 4.184 4.411 1.00 11.13 H new ATOM 0 HG12 VAL A 84 2.703 2.841 5.091 1.00 11.13 H new ATOM 0 HG13 VAL A 84 3.358 4.495 5.117 1.00 11.13 H new ATOM 0 HG21 VAL A 84 2.398 5.233 2.253 1.00 53.21 H new ATOM 0 HG22 VAL A 84 4.058 5.583 2.791 1.00 53.21 H new ATOM 0 HG23 VAL A 84 3.784 4.619 1.320 1.00 53.21 H new ATOM 1445 N THR A 85 6.093 1.635 4.883 1.00 11.43 N ATOM 1446 CA THR A 85 6.427 0.482 5.731 1.00 20.32 C ATOM 1447 C THR A 85 5.846 0.638 7.144 1.00 42.53 C ATOM 1448 O THR A 85 5.758 -0.323 7.908 1.00 64.05 O ATOM 1449 CB THR A 85 7.969 0.343 5.795 1.00 73.12 C ATOM 1450 OG1 THR A 85 8.532 1.565 6.301 1.00 14.14 O ATOM 1451 CG2 THR A 85 8.567 0.036 4.402 1.00 60.23 C ATOM 0 H THR A 85 6.825 2.345 4.857 1.00 11.43 H new ATOM 0 HA THR A 85 5.988 -0.416 5.297 1.00 20.32 H new ATOM 0 HB THR A 85 8.212 -0.488 6.457 1.00 73.12 H new ATOM 0 HG1 THR A 85 8.358 1.632 7.263 1.00 14.14 H new ATOM 0 HG21 THR A 85 9.650 -0.055 4.483 1.00 60.23 H new ATOM 0 HG22 THR A 85 8.151 -0.899 4.026 1.00 60.23 H new ATOM 0 HG23 THR A 85 8.322 0.845 3.714 1.00 60.23 H new ATOM 1459 N ASP A 86 5.470 1.874 7.480 1.00 41.33 N ATOM 1460 CA ASP A 86 4.868 2.229 8.771 1.00 44.24 C ATOM 1461 C ASP A 86 3.663 3.134 8.535 1.00 0.43 C ATOM 1462 O ASP A 86 3.626 3.862 7.543 1.00 74.24 O ATOM 1463 CB ASP A 86 5.892 2.967 9.677 1.00 50.20 C ATOM 1464 CG ASP A 86 7.084 2.093 10.093 1.00 11.53 C ATOM 1465 OD1 ASP A 86 8.049 1.982 9.315 1.00 63.33 O ATOM 1466 OD2 ASP A 86 7.056 1.502 11.189 1.00 61.34 O ATOM 0 H ASP A 86 5.576 2.671 6.853 1.00 41.33 H new ATOM 0 HA ASP A 86 4.558 1.312 9.272 1.00 44.24 H new ATOM 0 HB2 ASP A 86 6.263 3.847 9.151 1.00 50.20 H new ATOM 0 HB3 ASP A 86 5.382 3.323 10.573 1.00 50.20 H new ATOM 1471 N GLU A 87 2.691 3.091 9.459 1.00 54.03 N ATOM 1472 CA GLU A 87 1.575 4.065 9.508 1.00 2.21 C ATOM 1473 C GLU A 87 2.110 5.518 9.581 1.00 5.20 C ATOM 1474 O GLU A 87 1.480 6.435 9.073 1.00 42.03 O ATOM 1475 CB GLU A 87 0.627 3.768 10.709 1.00 73.41 C ATOM 1476 CG GLU A 87 1.201 4.048 12.123 1.00 30.23 C ATOM 1477 CD GLU A 87 2.423 3.182 12.493 1.00 34.30 C ATOM 1478 OE1 GLU A 87 2.240 2.017 12.878 1.00 73.31 O ATOM 1479 OE2 GLU A 87 3.569 3.656 12.371 1.00 31.21 O ATOM 0 H GLU A 87 2.651 2.385 10.194 1.00 54.03 H new ATOM 0 HA GLU A 87 1.000 3.960 8.588 1.00 2.21 H new ATOM 0 HB2 GLU A 87 -0.279 4.360 10.584 1.00 73.41 H new ATOM 0 HB3 GLU A 87 0.332 2.720 10.661 1.00 73.41 H new ATOM 0 HG2 GLU A 87 1.482 5.099 12.187 1.00 30.23 H new ATOM 0 HG3 GLU A 87 0.416 3.883 12.861 1.00 30.23 H new ATOM 1486 N ASP A 88 3.303 5.678 10.202 1.00 3.01 N ATOM 1487 CA ASP A 88 4.042 6.951 10.308 1.00 40.40 C ATOM 1488 C ASP A 88 4.390 7.516 8.920 1.00 12.43 C ATOM 1489 O ASP A 88 4.239 8.718 8.677 1.00 42.34 O ATOM 1490 CB ASP A 88 5.330 6.711 11.140 1.00 63.15 C ATOM 1491 CG ASP A 88 6.130 7.995 11.401 1.00 53.05 C ATOM 1492 OD1 ASP A 88 5.776 8.742 12.331 1.00 33.43 O ATOM 1493 OD2 ASP A 88 7.104 8.276 10.675 1.00 10.31 O ATOM 0 H ASP A 88 3.788 4.902 10.654 1.00 3.01 H new ATOM 0 HA ASP A 88 3.412 7.689 10.805 1.00 40.40 H new ATOM 0 HB2 ASP A 88 5.059 6.259 12.094 1.00 63.15 H new ATOM 0 HB3 ASP A 88 5.964 5.995 10.617 1.00 63.15 H new ATOM 1498 N GLN A 89 4.827 6.615 8.019 1.00 44.34 N ATOM 1499 CA GLN A 89 5.107 6.948 6.610 1.00 62.34 C ATOM 1500 C GLN A 89 3.833 7.461 5.907 1.00 23.42 C ATOM 1501 O GLN A 89 3.892 8.423 5.138 1.00 32.45 O ATOM 1502 CB GLN A 89 5.675 5.710 5.856 1.00 62.31 C ATOM 1503 CG GLN A 89 7.101 5.275 6.262 1.00 43.24 C ATOM 1504 CD GLN A 89 8.211 6.195 5.711 1.00 51.20 C ATOM 1505 OE1 GLN A 89 8.011 7.388 5.493 1.00 51.42 O ATOM 1506 NE2 GLN A 89 9.389 5.646 5.472 1.00 52.31 N ATOM 0 H GLN A 89 4.996 5.636 8.248 1.00 44.34 H new ATOM 0 HA GLN A 89 5.856 7.740 6.592 1.00 62.34 H new ATOM 0 HB2 GLN A 89 4.999 4.869 6.015 1.00 62.31 H new ATOM 0 HB3 GLN A 89 5.671 5.925 4.787 1.00 62.31 H new ATOM 0 HG2 GLN A 89 7.168 5.251 7.350 1.00 43.24 H new ATOM 0 HG3 GLN A 89 7.275 4.259 5.909 1.00 43.24 H new ATOM 0 HE21 GLN A 89 9.537 4.654 5.659 1.00 52.31 H new ATOM 0 HE22 GLN A 89 10.150 6.214 5.101 1.00 52.31 H new ATOM 1515 N ALA A 90 2.689 6.807 6.204 1.00 41.40 N ATOM 1516 CA ALA A 90 1.368 7.190 5.664 1.00 31.25 C ATOM 1517 C ALA A 90 0.908 8.568 6.187 1.00 72.31 C ATOM 1518 O ALA A 90 0.361 9.366 5.425 1.00 30.40 O ATOM 1519 CB ALA A 90 0.326 6.109 5.984 1.00 30.43 C ATOM 0 H ALA A 90 2.656 5.999 6.825 1.00 41.40 H new ATOM 0 HA ALA A 90 1.466 7.274 4.582 1.00 31.25 H new ATOM 0 HB1 ALA A 90 -0.642 6.406 5.580 1.00 30.43 H new ATOM 0 HB2 ALA A 90 0.632 5.164 5.535 1.00 30.43 H new ATOM 0 HB3 ALA A 90 0.246 5.989 7.064 1.00 30.43 H new ATOM 1525 N LYS A 91 1.174 8.847 7.477 1.00 62.32 N ATOM 1526 CA LYS A 91 0.813 10.126 8.131 1.00 64.11 C ATOM 1527 C LYS A 91 1.681 11.273 7.591 1.00 53.44 C ATOM 1528 O LYS A 91 1.212 12.415 7.454 1.00 30.21 O ATOM 1529 CB LYS A 91 0.984 9.998 9.671 1.00 51.43 C ATOM 1530 CG LYS A 91 0.031 8.967 10.318 1.00 52.14 C ATOM 1531 CD LYS A 91 0.380 8.631 11.790 1.00 41.20 C ATOM 1532 CE LYS A 91 0.194 9.818 12.744 1.00 1.21 C ATOM 1533 NZ LYS A 91 0.464 9.438 14.157 1.00 33.41 N ATOM 0 H LYS A 91 1.647 8.192 8.100 1.00 62.32 H new ATOM 0 HA LYS A 91 -0.229 10.352 7.907 1.00 64.11 H new ATOM 0 HB2 LYS A 91 2.014 9.716 9.891 1.00 51.43 H new ATOM 0 HB3 LYS A 91 0.815 10.973 10.129 1.00 51.43 H new ATOM 0 HG2 LYS A 91 -0.988 9.351 10.274 1.00 52.14 H new ATOM 0 HG3 LYS A 91 0.051 8.049 9.731 1.00 52.14 H new ATOM 0 HD2 LYS A 91 -0.246 7.803 12.125 1.00 41.20 H new ATOM 0 HD3 LYS A 91 1.414 8.290 11.842 1.00 41.20 H new ATOM 0 HE2 LYS A 91 0.862 10.628 12.451 1.00 1.21 H new ATOM 0 HE3 LYS A 91 -0.824 10.198 12.658 1.00 1.21 H new ATOM 0 HZ1 LYS A 91 0.328 10.266 14.771 1.00 33.41 H new ATOM 0 HZ2 LYS A 91 -0.190 8.682 14.444 1.00 33.41 H new ATOM 0 HZ3 LYS A 91 1.443 9.099 14.244 1.00 33.41 H new ATOM 1547 N GLN A 92 2.950 10.942 7.269 1.00 13.41 N ATOM 1548 CA GLN A 92 3.912 11.907 6.731 1.00 4.24 C ATOM 1549 C GLN A 92 3.515 12.307 5.308 1.00 63.42 C ATOM 1550 O GLN A 92 3.453 13.490 5.000 1.00 60.34 O ATOM 1551 CB GLN A 92 5.355 11.334 6.744 1.00 64.02 C ATOM 1552 CG GLN A 92 6.450 12.291 6.202 1.00 14.43 C ATOM 1553 CD GLN A 92 6.470 13.673 6.870 1.00 63.44 C ATOM 1554 OE1 GLN A 92 7.098 13.873 7.908 1.00 54.11 O ATOM 1555 NE2 GLN A 92 5.793 14.635 6.268 1.00 34.25 N ATOM 0 H GLN A 92 3.328 10.001 7.377 1.00 13.41 H new ATOM 0 HA GLN A 92 3.897 12.790 7.370 1.00 4.24 H new ATOM 0 HB2 GLN A 92 5.610 11.058 7.767 1.00 64.02 H new ATOM 0 HB3 GLN A 92 5.371 10.418 6.153 1.00 64.02 H new ATOM 0 HG2 GLN A 92 7.425 11.822 6.336 1.00 14.43 H new ATOM 0 HG3 GLN A 92 6.304 12.421 5.130 1.00 14.43 H new ATOM 0 HE21 GLN A 92 5.282 14.437 5.408 1.00 34.25 H new ATOM 0 HE22 GLN A 92 5.782 15.575 6.664 1.00 34.25 H new ATOM 1564 N ILE A 93 3.268 11.317 4.433 1.00 13.04 N ATOM 1565 CA ILE A 93 2.859 11.603 3.047 1.00 52.53 C ATOM 1566 C ILE A 93 1.482 12.312 2.982 1.00 53.52 C ATOM 1567 O ILE A 93 1.251 13.097 2.071 1.00 45.20 O ATOM 1568 CB ILE A 93 2.906 10.339 2.113 1.00 72.41 C ATOM 1569 CG1 ILE A 93 1.855 9.278 2.525 1.00 33.41 C ATOM 1570 CG2 ILE A 93 4.333 9.722 2.099 1.00 42.41 C ATOM 1571 CD1 ILE A 93 1.855 8.033 1.665 1.00 22.31 C ATOM 0 H ILE A 93 3.343 10.325 4.656 1.00 13.04 H new ATOM 0 HA ILE A 93 3.604 12.296 2.656 1.00 52.53 H new ATOM 0 HB ILE A 93 2.658 10.668 1.104 1.00 72.41 H new ATOM 0 HG12 ILE A 93 2.034 8.990 3.561 1.00 33.41 H new ATOM 0 HG13 ILE A 93 0.864 9.731 2.487 1.00 33.41 H new ATOM 0 HG21 ILE A 93 4.345 8.848 1.447 1.00 42.41 H new ATOM 0 HG22 ILE A 93 5.045 10.460 1.730 1.00 42.41 H new ATOM 0 HG23 ILE A 93 4.611 9.424 3.110 1.00 42.41 H new ATOM 0 HD11 ILE A 93 1.090 7.344 2.022 1.00 22.31 H new ATOM 0 HD12 ILE A 93 1.644 8.305 0.631 1.00 22.31 H new ATOM 0 HD13 ILE A 93 2.831 7.552 1.721 1.00 22.31 H new ATOM 1583 N LEU A 94 0.593 12.066 3.977 1.00 24.32 N ATOM 1584 CA LEU A 94 -0.675 12.828 4.109 1.00 33.23 C ATOM 1585 C LEU A 94 -0.409 14.353 4.164 1.00 4.24 C ATOM 1586 O LEU A 94 -0.941 15.099 3.335 1.00 74.33 O ATOM 1587 CB LEU A 94 -1.497 12.372 5.354 1.00 4.12 C ATOM 1588 CG LEU A 94 -2.313 11.054 5.191 1.00 5.50 C ATOM 1589 CD1 LEU A 94 -2.967 10.643 6.526 1.00 60.35 C ATOM 1590 CD2 LEU A 94 -3.369 11.190 4.066 1.00 14.30 C ATOM 0 H LEU A 94 0.729 11.353 4.694 1.00 24.32 H new ATOM 0 HA LEU A 94 -1.270 12.614 3.221 1.00 33.23 H new ATOM 0 HB2 LEU A 94 -0.811 12.249 6.192 1.00 4.12 H new ATOM 0 HB3 LEU A 94 -2.187 13.172 5.621 1.00 4.12 H new ATOM 0 HG LEU A 94 -1.622 10.262 4.902 1.00 5.50 H new ATOM 0 HD11 LEU A 94 -3.531 9.721 6.386 1.00 60.35 H new ATOM 0 HD12 LEU A 94 -2.193 10.485 7.277 1.00 60.35 H new ATOM 0 HD13 LEU A 94 -3.640 11.433 6.860 1.00 60.35 H new ATOM 0 HD21 LEU A 94 -3.924 10.257 3.973 1.00 14.30 H new ATOM 0 HD22 LEU A 94 -4.058 11.999 4.309 1.00 14.30 H new ATOM 0 HD23 LEU A 94 -2.869 11.410 3.123 1.00 14.30 H new ATOM 1602 N GLU A 95 0.456 14.789 5.107 1.00 64.23 N ATOM 1603 CA GLU A 95 0.795 16.226 5.277 1.00 52.31 C ATOM 1604 C GLU A 95 1.734 16.711 4.148 1.00 52.44 C ATOM 1605 O GLU A 95 1.713 17.884 3.785 1.00 64.11 O ATOM 1606 CB GLU A 95 1.453 16.515 6.660 1.00 65.31 C ATOM 1607 CG GLU A 95 2.738 15.715 6.946 1.00 72.11 C ATOM 1608 CD GLU A 95 3.573 16.263 8.108 1.00 23.33 C ATOM 1609 OE1 GLU A 95 3.243 15.988 9.278 1.00 23.10 O ATOM 1610 OE2 GLU A 95 4.572 16.970 7.849 1.00 4.33 O ATOM 0 H GLU A 95 0.933 14.170 5.763 1.00 64.23 H new ATOM 0 HA GLU A 95 -0.145 16.775 5.227 1.00 52.31 H new ATOM 0 HB2 GLU A 95 1.683 17.579 6.721 1.00 65.31 H new ATOM 0 HB3 GLU A 95 0.727 16.300 7.444 1.00 65.31 H new ATOM 0 HG2 GLU A 95 2.468 14.681 7.163 1.00 72.11 H new ATOM 0 HG3 GLU A 95 3.353 15.702 6.046 1.00 72.11 H new ATOM 1617 N ASP A 96 2.517 15.767 3.595 1.00 44.21 N ATOM 1618 CA ASP A 96 3.537 16.042 2.562 1.00 74.25 C ATOM 1619 C ASP A 96 2.880 16.545 1.269 1.00 20.25 C ATOM 1620 O ASP A 96 3.333 17.529 0.680 1.00 24.42 O ATOM 1621 CB ASP A 96 4.399 14.784 2.280 1.00 62.03 C ATOM 1622 CG ASP A 96 5.518 15.052 1.268 1.00 35.03 C ATOM 1623 OD1 ASP A 96 6.619 15.456 1.691 1.00 35.20 O ATOM 1624 OD2 ASP A 96 5.305 14.870 0.049 1.00 10.22 O ATOM 0 H ASP A 96 2.460 14.782 3.854 1.00 44.21 H new ATOM 0 HA ASP A 96 4.194 16.824 2.942 1.00 74.25 H new ATOM 0 HB2 ASP A 96 4.836 14.430 3.214 1.00 62.03 H new ATOM 0 HB3 ASP A 96 3.759 13.986 1.905 1.00 62.03 H new ATOM 1629 N LEU A 97 1.791 15.863 0.856 1.00 44.52 N ATOM 1630 CA LEU A 97 1.009 16.241 -0.339 1.00 53.02 C ATOM 1631 C LEU A 97 0.290 17.591 -0.124 1.00 20.11 C ATOM 1632 O LEU A 97 -0.046 18.259 -1.098 1.00 11.52 O ATOM 1633 CB LEU A 97 -0.014 15.117 -0.743 1.00 70.44 C ATOM 1634 CG LEU A 97 0.559 13.936 -1.614 1.00 24.31 C ATOM 1635 CD1 LEU A 97 1.675 13.163 -0.902 1.00 70.52 C ATOM 1636 CD2 LEU A 97 -0.561 12.973 -2.060 1.00 34.41 C ATOM 0 H LEU A 97 1.431 15.040 1.339 1.00 44.52 H new ATOM 0 HA LEU A 97 1.710 16.356 -1.165 1.00 53.02 H new ATOM 0 HB2 LEU A 97 -0.438 14.696 0.169 1.00 70.44 H new ATOM 0 HB3 LEU A 97 -0.834 15.581 -1.291 1.00 70.44 H new ATOM 0 HG LEU A 97 0.998 14.396 -2.499 1.00 24.31 H new ATOM 0 HD11 LEU A 97 2.032 12.361 -1.549 1.00 70.52 H new ATOM 0 HD12 LEU A 97 2.499 13.840 -0.675 1.00 70.52 H new ATOM 0 HD13 LEU A 97 1.289 12.737 0.024 1.00 70.52 H new ATOM 0 HD21 LEU A 97 -0.133 12.169 -2.659 1.00 34.41 H new ATOM 0 HD22 LEU A 97 -1.049 12.550 -1.182 1.00 34.41 H new ATOM 0 HD23 LEU A 97 -1.294 13.518 -2.655 1.00 34.41 H new ATOM 1648 N LYS A 98 0.077 17.992 1.155 1.00 32.14 N ATOM 1649 CA LYS A 98 -0.565 19.285 1.496 1.00 44.12 C ATOM 1650 C LYS A 98 0.463 20.430 1.427 1.00 33.24 C ATOM 1651 O LYS A 98 0.126 21.560 1.051 1.00 64.14 O ATOM 1652 CB LYS A 98 -1.214 19.247 2.915 1.00 11.43 C ATOM 1653 CG LYS A 98 -2.105 18.021 3.200 1.00 13.42 C ATOM 1654 CD LYS A 98 -3.136 17.717 2.095 1.00 14.43 C ATOM 1655 CE LYS A 98 -4.181 18.820 1.911 1.00 50.42 C ATOM 1656 NZ LYS A 98 -5.107 18.499 0.797 1.00 11.23 N ATOM 0 H LYS A 98 0.342 17.436 1.968 1.00 32.14 H new ATOM 0 HA LYS A 98 -1.354 19.461 0.765 1.00 44.12 H new ATOM 0 HB2 LYS A 98 -0.420 19.279 3.661 1.00 11.43 H new ATOM 0 HB3 LYS A 98 -1.812 20.149 3.047 1.00 11.43 H new ATOM 0 HG2 LYS A 98 -1.468 17.147 3.337 1.00 13.42 H new ATOM 0 HG3 LYS A 98 -2.633 18.181 4.140 1.00 13.42 H new ATOM 0 HD2 LYS A 98 -2.611 17.565 1.152 1.00 14.43 H new ATOM 0 HD3 LYS A 98 -3.644 16.782 2.331 1.00 14.43 H new ATOM 0 HE2 LYS A 98 -4.747 18.946 2.834 1.00 50.42 H new ATOM 0 HE3 LYS A 98 -3.682 19.768 1.711 1.00 50.42 H new ATOM 0 HZ1 LYS A 98 -5.363 19.373 0.295 1.00 11.23 H new ATOM 0 HZ2 LYS A 98 -4.642 17.844 0.137 1.00 11.23 H new ATOM 0 HZ3 LYS A 98 -5.967 18.054 1.177 1.00 11.23 H new