USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 403 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= 1.75 (180deg=1.27) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.16) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.382 USER MOD Single : A 28 HIS : no HE2:sc= -0.478 X(o=-0.48,f=-0.23) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0264) USER MOD Single : A 33 SER OG : rot 74:sc= 0.84 USER MOD Single : A 35 SER OG : rot 65:sc= 1.25 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.313 F(o=-1.7,f=-0.31) USER MOD Single : A 43 ASN : amide:sc= 1.21 K(o=1.2,f=-0.0066) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 10.350 -4.235 -3.036 1.00 0.00 N ATOM 35 CA VAL A 3 9.176 -3.392 -3.266 1.00 0.00 C ATOM 36 C VAL A 3 8.000 -4.214 -3.802 1.00 0.00 C ATOM 37 O VAL A 3 6.831 -3.859 -3.612 1.00 0.00 O ATOM 38 CB VAL A 3 9.463 -2.193 -4.222 1.00 0.00 C ATOM 39 CG1 VAL A 3 10.505 -1.261 -3.628 1.00 0.00 C ATOM 40 CG2 VAL A 3 9.890 -2.665 -5.613 1.00 0.00 C ATOM 0 HA VAL A 3 8.912 -2.976 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 3 8.531 -1.640 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 3 10.687 -0.434 -4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.144 -0.871 -2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.433 -1.809 -3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.080 -1.800 -6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 3 10.798 -3.262 -5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.096 -3.270 -6.052 1.00 0.00 H new ATOM 50 N THR A 4 8.315 -5.333 -4.427 1.00 0.00 N ATOM 51 CA THR A 4 7.313 -6.173 -5.043 1.00 0.00 C ATOM 52 C THR A 4 6.353 -6.790 -3.995 1.00 0.00 C ATOM 53 O THR A 4 5.171 -7.003 -4.283 1.00 0.00 O ATOM 54 CB THR A 4 7.957 -7.271 -5.950 1.00 0.00 C ATOM 55 OG1 THR A 4 6.964 -7.886 -6.779 1.00 0.00 O ATOM 56 CG2 THR A 4 8.640 -8.346 -5.118 1.00 0.00 C ATOM 0 H THR A 4 9.269 -5.682 -4.520 1.00 0.00 H new ATOM 0 HA THR A 4 6.713 -5.531 -5.688 1.00 0.00 H new ATOM 0 HB THR A 4 8.703 -6.778 -6.573 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.385 -8.570 -7.341 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.078 -9.094 -5.779 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.425 -7.893 -4.512 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.907 -8.822 -4.466 1.00 0.00 H new ATOM 64 N LYS A 5 6.836 -6.998 -2.756 1.00 0.00 N ATOM 65 CA LYS A 5 5.984 -7.578 -1.712 1.00 0.00 C ATOM 66 C LYS A 5 4.958 -6.556 -1.247 1.00 0.00 C ATOM 67 O LYS A 5 3.853 -6.890 -0.851 1.00 0.00 O ATOM 68 CB LYS A 5 6.817 -8.195 -0.535 1.00 0.00 C ATOM 69 CG LYS A 5 7.670 -7.238 0.328 1.00 0.00 C ATOM 70 CD LYS A 5 6.856 -6.478 1.380 1.00 0.00 C ATOM 71 CE LYS A 5 7.747 -5.585 2.235 1.00 0.00 C ATOM 72 NZ LYS A 5 6.985 -4.848 3.271 1.00 0.00 N ATOM 0 H LYS A 5 7.788 -6.778 -2.462 1.00 0.00 H new ATOM 0 HA LYS A 5 5.439 -8.418 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.125 -8.715 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.483 -8.949 -0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.451 -7.811 0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.168 -6.520 -0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.097 -5.871 0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.331 -7.188 2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.512 -6.194 2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.264 -4.872 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.636 -4.256 3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.272 -4.245 2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.512 -5.526 3.902 1.00 0.00 H new ATOM 86 N LEU A 6 5.334 -5.297 -1.351 1.00 0.00 N ATOM 87 CA LEU A 6 4.476 -4.197 -0.988 1.00 0.00 C ATOM 88 C LEU A 6 3.390 -4.063 -2.039 1.00 0.00 C ATOM 89 O LEU A 6 2.216 -3.904 -1.716 1.00 0.00 O ATOM 90 CB LEU A 6 5.317 -2.919 -0.891 1.00 0.00 C ATOM 91 CG LEU A 6 4.612 -1.612 -0.503 1.00 0.00 C ATOM 92 CD1 LEU A 6 3.840 -1.757 0.795 1.00 0.00 C ATOM 93 CD2 LEU A 6 5.650 -0.518 -0.365 1.00 0.00 C ATOM 0 H LEU A 6 6.251 -5.011 -1.693 1.00 0.00 H new ATOM 0 HA LEU A 6 4.006 -4.372 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.110 -3.097 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.798 -2.763 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 6 3.896 -1.359 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.355 -0.812 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.085 -2.535 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.526 -2.029 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.160 0.416 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.368 -0.793 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.170 -0.388 -1.314 1.00 0.00 H new ATOM 105 N ASN A 7 3.789 -4.201 -3.292 1.00 0.00 N ATOM 106 CA ASN A 7 2.867 -4.110 -4.416 1.00 0.00 C ATOM 107 C ASN A 7 1.880 -5.291 -4.387 1.00 0.00 C ATOM 108 O ASN A 7 0.713 -5.169 -4.787 1.00 0.00 O ATOM 109 CB ASN A 7 3.645 -4.063 -5.744 1.00 0.00 C ATOM 110 CG ASN A 7 2.778 -3.691 -6.941 1.00 0.00 C ATOM 111 OD1 ASN A 7 2.578 -2.518 -7.221 1.00 0.00 O ATOM 112 ND2 ASN A 7 2.331 -4.659 -7.690 1.00 0.00 N ATOM 0 H ASN A 7 4.757 -4.379 -3.560 1.00 0.00 H new ATOM 0 HA ASN A 7 2.293 -3.187 -4.333 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.457 -3.342 -5.655 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.101 -5.036 -5.924 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.799 -4.447 -8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.513 -5.629 -7.432 1.00 0.00 H new ATOM 119 N ASP A 8 2.357 -6.425 -3.884 1.00 0.00 N ATOM 120 CA ASP A 8 1.530 -7.629 -3.693 1.00 0.00 C ATOM 121 C ASP A 8 0.478 -7.376 -2.620 1.00 0.00 C ATOM 122 O ASP A 8 -0.686 -7.769 -2.761 1.00 0.00 O ATOM 123 CB ASP A 8 2.401 -8.818 -3.277 1.00 0.00 C ATOM 124 CG ASP A 8 1.607 -10.093 -3.061 1.00 0.00 C ATOM 125 OD1 ASP A 8 1.120 -10.323 -1.940 1.00 0.00 O ATOM 126 OD2 ASP A 8 1.495 -10.912 -3.992 1.00 0.00 O ATOM 0 H ASP A 8 3.328 -6.543 -3.595 1.00 0.00 H new ATOM 0 HA ASP A 8 1.039 -7.860 -4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.156 -8.993 -4.044 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.932 -8.568 -2.358 1.00 0.00 H new ATOM 131 N ARG A 9 0.885 -6.698 -1.554 1.00 0.00 N ATOM 132 CA ARG A 9 -0.031 -6.353 -0.476 1.00 0.00 C ATOM 133 C ARG A 9 -1.066 -5.350 -0.962 1.00 0.00 C ATOM 134 O ARG A 9 -2.232 -5.408 -0.566 1.00 0.00 O ATOM 135 CB ARG A 9 0.711 -5.828 0.750 1.00 0.00 C ATOM 136 CG ARG A 9 1.638 -6.851 1.385 1.00 0.00 C ATOM 137 CD ARG A 9 2.280 -6.313 2.645 1.00 0.00 C ATOM 138 NE ARG A 9 1.288 -6.038 3.689 1.00 0.00 N ATOM 139 CZ ARG A 9 1.561 -5.636 4.932 1.00 0.00 C ATOM 140 NH1 ARG A 9 2.814 -5.407 5.308 1.00 0.00 N ATOM 141 NH2 ARG A 9 0.572 -5.460 5.795 1.00 0.00 N ATOM 0 H ARG A 9 1.843 -6.377 -1.414 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.547 -7.263 -0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.292 -4.951 0.465 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.017 -5.500 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.077 -7.756 1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.413 -7.132 0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.009 -7.033 3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.826 -5.398 2.413 1.00 0.00 H new ATOM 0 HE ARG A 9 0.306 -6.165 3.445 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.578 -5.538 4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.013 -5.100 6.260 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.392 -5.632 5.508 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.774 -5.153 6.746 1.00 0.00 H new ATOM 155 N ILE A 10 -0.635 -4.443 -1.846 1.00 0.00 N ATOM 156 CA ILE A 10 -1.536 -3.496 -2.486 1.00 0.00 C ATOM 157 C ILE A 10 -2.616 -4.252 -3.233 1.00 0.00 C ATOM 158 O ILE A 10 -3.777 -3.904 -3.152 1.00 0.00 O ATOM 159 CB ILE A 10 -0.787 -2.547 -3.478 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.190 -1.648 -2.716 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.771 -1.703 -4.311 1.00 0.00 C ATOM 162 CD1 ILE A 10 0.988 -0.720 -3.603 1.00 0.00 C ATOM 0 H ILE A 10 0.340 -4.350 -2.131 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.975 -2.878 -1.703 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.223 -3.168 -4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.368 -1.053 -1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.879 -2.275 -2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.213 -1.056 -4.988 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.417 -2.363 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.380 -1.092 -3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.657 -0.116 -2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.575 -1.307 -4.310 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.309 -0.066 -4.150 1.00 0.00 H new ATOM 174 N GLU A 11 -2.223 -5.328 -3.896 1.00 0.00 N ATOM 175 CA GLU A 11 -3.131 -6.139 -4.688 1.00 0.00 C ATOM 176 C GLU A 11 -4.268 -6.679 -3.809 1.00 0.00 C ATOM 177 O GLU A 11 -5.445 -6.628 -4.186 1.00 0.00 O ATOM 178 CB GLU A 11 -2.364 -7.293 -5.325 1.00 0.00 C ATOM 179 CG GLU A 11 -3.006 -7.840 -6.574 1.00 0.00 C ATOM 180 CD GLU A 11 -2.985 -6.819 -7.685 1.00 0.00 C ATOM 181 OE1 GLU A 11 -1.926 -6.639 -8.315 1.00 0.00 O ATOM 182 OE2 GLU A 11 -4.013 -6.174 -7.952 1.00 0.00 O ATOM 0 H GLU A 11 -1.260 -5.664 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.566 -5.522 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.355 -6.957 -5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.267 -8.098 -4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.481 -8.740 -6.893 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.035 -8.130 -6.361 1.00 0.00 H new ATOM 189 N ALA A 12 -3.909 -7.129 -2.613 1.00 0.00 N ATOM 190 CA ALA A 12 -4.877 -7.663 -1.663 1.00 0.00 C ATOM 191 C ALA A 12 -5.786 -6.557 -1.132 1.00 0.00 C ATOM 192 O ALA A 12 -6.972 -6.773 -0.882 1.00 0.00 O ATOM 193 CB ALA A 12 -4.167 -8.367 -0.515 1.00 0.00 C ATOM 0 H ALA A 12 -2.946 -7.134 -2.276 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.498 -8.391 -2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.906 -8.759 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.567 -9.188 -0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.519 -7.659 0.001 1.00 0.00 H new ATOM 199 N LYS A 13 -5.230 -5.371 -0.990 1.00 0.00 N ATOM 200 CA LYS A 13 -5.975 -4.226 -0.497 1.00 0.00 C ATOM 201 C LYS A 13 -6.911 -3.672 -1.569 1.00 0.00 C ATOM 202 O LYS A 13 -8.008 -3.218 -1.263 1.00 0.00 O ATOM 203 CB LYS A 13 -5.027 -3.138 0.027 1.00 0.00 C ATOM 204 CG LYS A 13 -4.231 -3.537 1.272 1.00 0.00 C ATOM 205 CD LYS A 13 -5.133 -3.777 2.485 1.00 0.00 C ATOM 206 CE LYS A 13 -5.847 -2.507 2.930 1.00 0.00 C ATOM 207 NZ LYS A 13 -6.728 -2.745 4.090 1.00 0.00 N ATOM 0 H LYS A 13 -4.254 -5.172 -1.211 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.591 -4.563 0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.328 -2.870 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.609 -2.245 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.660 -4.442 1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.511 -2.753 1.507 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.871 -4.541 2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.535 -4.164 3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.109 -1.747 3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.436 -2.113 2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.993 -1.835 4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.586 -3.244 3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.227 -3.324 4.793 1.00 0.00 H new ATOM 221 N LYS A 14 -6.467 -3.719 -2.819 1.00 0.00 N ATOM 222 CA LYS A 14 -7.269 -3.287 -3.966 1.00 0.00 C ATOM 223 C LYS A 14 -8.539 -4.111 -4.057 1.00 0.00 C ATOM 224 O LYS A 14 -9.639 -3.568 -4.076 1.00 0.00 O ATOM 225 CB LYS A 14 -6.471 -3.449 -5.272 1.00 0.00 C ATOM 226 CG LYS A 14 -5.292 -2.495 -5.432 1.00 0.00 C ATOM 227 CD LYS A 14 -4.346 -2.950 -6.546 1.00 0.00 C ATOM 228 CE LYS A 14 -5.009 -2.994 -7.898 1.00 0.00 C ATOM 229 NZ LYS A 14 -4.159 -3.678 -8.895 1.00 0.00 N ATOM 0 H LYS A 14 -5.539 -4.058 -3.071 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.524 -2.236 -3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.101 -4.473 -5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.149 -3.308 -6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.661 -1.494 -5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.744 -2.432 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.491 -2.275 -6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.959 -3.940 -6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.966 -3.510 -7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.221 -1.979 -8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.684 -3.781 -9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.300 -3.116 -9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.894 -4.618 -8.538 1.00 0.00 H new ATOM 243 N LYS A 15 -8.375 -5.429 -4.067 1.00 0.00 N ATOM 244 CA LYS A 15 -9.499 -6.352 -4.190 1.00 0.00 C ATOM 245 C LYS A 15 -10.458 -6.207 -3.011 1.00 0.00 C ATOM 246 O LYS A 15 -11.688 -6.245 -3.183 1.00 0.00 O ATOM 247 CB LYS A 15 -8.997 -7.793 -4.309 1.00 0.00 C ATOM 248 CG LYS A 15 -8.093 -8.030 -5.520 1.00 0.00 C ATOM 249 CD LYS A 15 -7.572 -9.465 -5.581 1.00 0.00 C ATOM 250 CE LYS A 15 -8.694 -10.471 -5.798 1.00 0.00 C ATOM 251 NZ LYS A 15 -8.188 -11.859 -5.824 1.00 0.00 N ATOM 0 H LYS A 15 -7.466 -5.886 -3.991 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.047 -6.102 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.451 -8.055 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.854 -8.463 -4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.646 -7.807 -6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.250 -7.341 -5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.845 -9.553 -6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.049 -9.700 -4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.433 -10.368 -5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.203 -10.252 -6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.981 -12.515 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.501 -11.964 -6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.725 -12.077 -4.919 1.00 0.00 H new ATOM 265 N GLU A 16 -9.886 -6.021 -1.834 1.00 0.00 N ATOM 266 CA GLU A 16 -10.636 -5.819 -0.605 1.00 0.00 C ATOM 267 C GLU A 16 -11.481 -4.552 -0.710 1.00 0.00 C ATOM 268 O GLU A 16 -12.693 -4.574 -0.457 1.00 0.00 O ATOM 269 CB GLU A 16 -9.651 -5.709 0.562 1.00 0.00 C ATOM 270 CG GLU A 16 -10.268 -5.444 1.922 1.00 0.00 C ATOM 271 CD GLU A 16 -9.217 -5.358 2.994 1.00 0.00 C ATOM 272 OE1 GLU A 16 -8.577 -4.316 3.136 1.00 0.00 O ATOM 273 OE2 GLU A 16 -8.972 -6.363 3.687 1.00 0.00 O ATOM 0 H GLU A 16 -8.875 -6.006 -1.703 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.306 -6.662 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.078 -6.634 0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.944 -4.909 0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.835 -4.514 1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.973 -6.239 2.165 1.00 0.00 H new ATOM 280 N LEU A 17 -10.843 -3.465 -1.132 1.00 0.00 N ATOM 281 CA LEU A 17 -11.508 -2.192 -1.268 1.00 0.00 C ATOM 282 C LEU A 17 -12.626 -2.277 -2.293 1.00 0.00 C ATOM 283 O LEU A 17 -13.728 -1.833 -2.024 1.00 0.00 O ATOM 284 CB LEU A 17 -10.519 -1.081 -1.633 1.00 0.00 C ATOM 285 CG LEU A 17 -11.108 0.331 -1.757 1.00 0.00 C ATOM 286 CD1 LEU A 17 -11.721 0.778 -0.438 1.00 0.00 C ATOM 287 CD2 LEU A 17 -10.043 1.312 -2.210 1.00 0.00 C ATOM 0 H LEU A 17 -9.855 -3.450 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.946 -1.941 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.732 -1.060 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.046 -1.340 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.898 0.307 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.132 1.781 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.517 0.089 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.954 0.784 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.478 2.308 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.231 1.329 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.654 1.004 -3.181 1.00 0.00 H new ATOM 299 N ILE A 18 -12.343 -2.889 -3.448 1.00 0.00 N ATOM 300 CA ILE A 18 -13.346 -3.064 -4.517 1.00 0.00 C ATOM 301 C ILE A 18 -14.597 -3.752 -3.971 1.00 0.00 C ATOM 302 O ILE A 18 -15.720 -3.296 -4.204 1.00 0.00 O ATOM 303 CB ILE A 18 -12.781 -3.890 -5.722 1.00 0.00 C ATOM 304 CG1 ILE A 18 -11.621 -3.144 -6.394 1.00 0.00 C ATOM 305 CG2 ILE A 18 -13.881 -4.195 -6.748 1.00 0.00 C ATOM 306 CD1 ILE A 18 -10.937 -3.931 -7.494 1.00 0.00 C ATOM 0 H ILE A 18 -11.426 -3.274 -3.672 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.603 -2.068 -4.879 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.408 -4.836 -5.330 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.996 -2.209 -6.810 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -10.883 -2.882 -5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.460 -4.769 -7.573 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.673 -4.772 -6.271 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.292 -3.260 -7.129 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.129 -3.336 -7.919 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.530 -4.854 -7.082 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.660 -4.170 -8.274 1.00 0.00 H new ATOM 318 N TYR A 19 -14.387 -4.811 -3.199 1.00 0.00 N ATOM 319 CA TYR A 19 -15.479 -5.567 -2.608 1.00 0.00 C ATOM 320 C TYR A 19 -16.310 -4.667 -1.693 1.00 0.00 C ATOM 321 O TYR A 19 -17.544 -4.676 -1.738 1.00 0.00 O ATOM 322 CB TYR A 19 -14.932 -6.781 -1.824 1.00 0.00 C ATOM 323 CG TYR A 19 -16.002 -7.656 -1.187 1.00 0.00 C ATOM 324 CD1 TYR A 19 -16.698 -8.589 -1.940 1.00 0.00 C ATOM 325 CD2 TYR A 19 -16.314 -7.543 0.166 1.00 0.00 C ATOM 326 CE1 TYR A 19 -17.673 -9.384 -1.370 1.00 0.00 C ATOM 327 CE2 TYR A 19 -17.287 -8.338 0.743 1.00 0.00 C ATOM 328 CZ TYR A 19 -17.965 -9.253 -0.031 1.00 0.00 C ATOM 329 OH TYR A 19 -18.946 -10.039 0.533 1.00 0.00 O ATOM 0 H TYR A 19 -13.460 -5.167 -2.967 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.121 -5.936 -3.408 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.334 -7.394 -2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -14.263 -6.421 -1.043 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.474 -8.696 -2.991 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.787 -6.823 0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.204 -10.106 -1.973 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -17.514 -8.242 1.795 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.029 -9.825 1.486 1.00 0.00 H new ATOM 339 N LEU A 20 -15.634 -3.866 -0.907 1.00 0.00 N ATOM 340 CA LEU A 20 -16.298 -2.991 0.030 1.00 0.00 C ATOM 341 C LEU A 20 -16.998 -1.828 -0.676 1.00 0.00 C ATOM 342 O LEU A 20 -18.060 -1.400 -0.250 1.00 0.00 O ATOM 343 CB LEU A 20 -15.327 -2.500 1.098 1.00 0.00 C ATOM 344 CG LEU A 20 -14.604 -3.606 1.884 1.00 0.00 C ATOM 345 CD1 LEU A 20 -13.727 -3.017 2.947 1.00 0.00 C ATOM 346 CD2 LEU A 20 -15.585 -4.581 2.503 1.00 0.00 C ATOM 0 H LEU A 20 -14.616 -3.801 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.075 -3.570 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.579 -1.866 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.874 -1.874 1.803 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.982 -4.154 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.226 -3.818 3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.981 -2.369 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.335 -2.435 3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.038 -5.349 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.245 -4.048 3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -16.178 -5.049 1.717 1.00 0.00 H new ATOM 358 N VAL A 21 -16.422 -1.340 -1.755 1.00 0.00 N ATOM 359 CA VAL A 21 -17.049 -0.278 -2.537 1.00 0.00 C ATOM 360 C VAL A 21 -18.339 -0.811 -3.188 1.00 0.00 C ATOM 361 O VAL A 21 -19.341 -0.098 -3.294 1.00 0.00 O ATOM 362 CB VAL A 21 -16.082 0.314 -3.623 1.00 0.00 C ATOM 363 CG1 VAL A 21 -16.761 1.403 -4.439 1.00 0.00 C ATOM 364 CG2 VAL A 21 -14.833 0.884 -2.977 1.00 0.00 C ATOM 0 H VAL A 21 -15.522 -1.657 -2.116 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.293 0.539 -1.858 1.00 0.00 H new ATOM 0 HB VAL A 21 -15.808 -0.505 -4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -16.063 1.790 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -17.634 0.989 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -17.074 2.211 -3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -14.177 1.289 -3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.112 1.678 -2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.312 0.095 -2.434 1.00 0.00 H new ATOM 374 N GLU A 22 -18.303 -2.058 -3.610 1.00 0.00 N ATOM 375 CA GLU A 22 -19.475 -2.715 -4.161 1.00 0.00 C ATOM 376 C GLU A 22 -20.557 -2.974 -3.110 1.00 0.00 C ATOM 377 O GLU A 22 -21.733 -2.652 -3.323 1.00 0.00 O ATOM 378 CB GLU A 22 -19.099 -4.019 -4.868 1.00 0.00 C ATOM 379 CG GLU A 22 -18.283 -3.817 -6.129 1.00 0.00 C ATOM 380 CD GLU A 22 -19.030 -3.012 -7.162 1.00 0.00 C ATOM 381 OE1 GLU A 22 -19.003 -1.783 -7.104 1.00 0.00 O ATOM 382 OE2 GLU A 22 -19.680 -3.607 -8.054 1.00 0.00 O ATOM 0 H GLU A 22 -17.468 -2.643 -3.582 1.00 0.00 H new ATOM 0 HA GLU A 22 -19.894 -2.025 -4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.535 -4.646 -4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.011 -4.561 -5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.350 -3.311 -5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.017 -4.787 -6.548 1.00 0.00 H new ATOM 389 N LYS A 23 -20.164 -3.549 -1.990 1.00 0.00 N ATOM 390 CA LYS A 23 -21.119 -3.961 -0.963 1.00 0.00 C ATOM 391 C LYS A 23 -21.554 -2.813 -0.042 1.00 0.00 C ATOM 392 O LYS A 23 -22.744 -2.598 0.158 1.00 0.00 O ATOM 393 CB LYS A 23 -20.552 -5.132 -0.148 1.00 0.00 C ATOM 394 CG LYS A 23 -20.172 -6.357 -0.985 1.00 0.00 C ATOM 395 CD LYS A 23 -21.370 -6.965 -1.696 1.00 0.00 C ATOM 396 CE LYS A 23 -20.964 -8.132 -2.586 1.00 0.00 C ATOM 397 NZ LYS A 23 -22.129 -8.750 -3.257 1.00 0.00 N ATOM 0 H LYS A 23 -19.189 -3.745 -1.762 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.019 -4.286 -1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.671 -4.789 0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.289 -5.431 0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -19.421 -6.072 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.716 -7.108 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.097 -7.305 -0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -21.862 -6.201 -2.299 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -20.255 -7.785 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.450 -8.884 -1.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.808 -9.540 -3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.794 -9.105 -2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -22.605 -8.040 -3.850 1.00 0.00 H new ATOM 411 N TYR A 24 -20.608 -2.063 0.467 1.00 0.00 N ATOM 412 CA TYR A 24 -20.895 -0.980 1.412 1.00 0.00 C ATOM 413 C TYR A 24 -21.184 0.303 0.662 1.00 0.00 C ATOM 414 O TYR A 24 -22.166 1.015 0.943 1.00 0.00 O ATOM 415 CB TYR A 24 -19.711 -0.775 2.387 1.00 0.00 C ATOM 416 CG TYR A 24 -19.475 -1.939 3.335 1.00 0.00 C ATOM 417 CD1 TYR A 24 -18.981 -3.154 2.883 1.00 0.00 C ATOM 418 CD2 TYR A 24 -19.773 -1.822 4.677 1.00 0.00 C ATOM 419 CE1 TYR A 24 -18.792 -4.213 3.744 1.00 0.00 C ATOM 420 CE2 TYR A 24 -19.595 -2.879 5.546 1.00 0.00 C ATOM 421 CZ TYR A 24 -19.103 -4.072 5.074 1.00 0.00 C ATOM 422 OH TYR A 24 -18.936 -5.135 5.934 1.00 0.00 O ATOM 0 H TYR A 24 -19.618 -2.174 0.248 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.774 -1.255 1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.804 -0.603 1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -19.890 0.126 2.974 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -18.740 -3.272 1.837 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -20.153 -0.884 5.055 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -18.401 -5.150 3.375 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -19.841 -2.769 6.592 1.00 0.00 H new ATOM 0 HH TYR A 24 -19.201 -4.868 6.839 1.00 0.00 H new ATOM 432 N GLY A 25 -20.357 0.582 -0.303 1.00 0.00 N ATOM 433 CA GLY A 25 -20.520 1.770 -1.089 1.00 0.00 C ATOM 434 C GLY A 25 -19.442 2.776 -0.793 1.00 0.00 C ATOM 435 O GLY A 25 -18.705 2.635 0.177 1.00 0.00 O ATOM 0 H GLY A 25 -19.561 0.001 -0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.499 1.513 -2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.496 2.211 -0.887 1.00 0.00 H new ATOM 439 N PHE A 26 -19.355 3.789 -1.607 1.00 0.00 N ATOM 440 CA PHE A 26 -18.358 4.817 -1.436 1.00 0.00 C ATOM 441 C PHE A 26 -18.844 5.883 -0.458 1.00 0.00 C ATOM 442 O PHE A 26 -20.036 5.920 -0.112 1.00 0.00 O ATOM 443 CB PHE A 26 -17.940 5.424 -2.800 1.00 0.00 C ATOM 444 CG PHE A 26 -19.081 5.920 -3.666 1.00 0.00 C ATOM 445 CD1 PHE A 26 -19.701 5.068 -4.570 1.00 0.00 C ATOM 446 CD2 PHE A 26 -19.519 7.229 -3.588 1.00 0.00 C ATOM 447 CE1 PHE A 26 -20.734 5.512 -5.369 1.00 0.00 C ATOM 448 CE2 PHE A 26 -20.550 7.680 -4.385 1.00 0.00 C ATOM 449 CZ PHE A 26 -21.159 6.820 -5.278 1.00 0.00 C ATOM 0 H PHE A 26 -19.970 3.929 -2.408 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.466 4.362 -1.005 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.258 6.254 -2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.383 4.672 -3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -19.370 4.043 -4.649 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -19.047 7.908 -2.893 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -21.209 4.836 -6.065 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -20.881 8.705 -4.311 1.00 0.00 H new ATOM 0 HZ PHE A 26 -21.966 7.172 -5.903 1.00 0.00 H new ATOM 459 N THR A 27 -17.915 6.728 -0.004 1.00 0.00 N ATOM 460 CA THR A 27 -18.190 7.815 0.949 1.00 0.00 C ATOM 461 C THR A 27 -18.645 7.240 2.332 1.00 0.00 C ATOM 462 O THR A 27 -19.330 7.892 3.133 1.00 0.00 O ATOM 463 CB THR A 27 -19.228 8.801 0.347 1.00 0.00 C ATOM 464 OG1 THR A 27 -18.868 9.033 -1.034 1.00 0.00 O ATOM 465 CG2 THR A 27 -19.189 10.147 1.070 1.00 0.00 C ATOM 0 H THR A 27 -16.937 6.679 -0.289 1.00 0.00 H new ATOM 0 HA THR A 27 -17.272 8.375 1.129 1.00 0.00 H new ATOM 0 HB THR A 27 -20.225 8.371 0.447 1.00 0.00 H new ATOM 0 HG1 THR A 27 -19.510 9.653 -1.440 1.00 0.00 H new ATOM 0 HG21 THR A 27 -19.925 10.819 0.629 1.00 0.00 H new ATOM 0 HG22 THR A 27 -19.418 10.000 2.125 1.00 0.00 H new ATOM 0 HG23 THR A 27 -18.195 10.584 0.972 1.00 0.00 H new ATOM 473 N HIS A 28 -18.213 6.025 2.593 1.00 0.00 N ATOM 474 CA HIS A 28 -18.452 5.352 3.845 1.00 0.00 C ATOM 475 C HIS A 28 -17.127 5.362 4.620 1.00 0.00 C ATOM 476 O HIS A 28 -16.079 5.112 4.022 1.00 0.00 O ATOM 477 CB HIS A 28 -18.958 3.916 3.566 1.00 0.00 C ATOM 478 CG HIS A 28 -19.203 3.072 4.782 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.399 3.000 5.453 1.00 0.00 N ATOM 480 CD2 HIS A 28 -18.365 2.244 5.431 1.00 0.00 C ATOM 481 CE1 HIS A 28 -20.251 2.150 6.469 1.00 0.00 C ATOM 482 NE2 HIS A 28 -19.024 1.662 6.498 1.00 0.00 N ATOM 0 H HIS A 28 -17.676 5.470 1.927 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.219 5.848 4.439 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -19.885 3.980 2.996 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -18.229 3.409 2.933 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -21.251 3.508 5.216 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -17.335 2.062 5.160 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -21.029 1.895 7.173 1.00 0.00 H new ATOM 490 N HIS A 29 -17.182 5.643 5.927 1.00 0.00 N ATOM 491 CA HIS A 29 -15.974 5.825 6.782 1.00 0.00 C ATOM 492 C HIS A 29 -14.945 4.701 6.664 1.00 0.00 C ATOM 493 O HIS A 29 -13.735 4.970 6.542 1.00 0.00 O ATOM 494 CB HIS A 29 -16.342 6.061 8.257 1.00 0.00 C ATOM 495 CG HIS A 29 -17.075 7.349 8.512 1.00 0.00 C ATOM 496 ND1 HIS A 29 -18.422 7.431 8.782 1.00 0.00 N ATOM 497 CD2 HIS A 29 -16.614 8.622 8.547 1.00 0.00 C ATOM 498 CE1 HIS A 29 -18.733 8.709 8.961 1.00 0.00 C ATOM 499 NE2 HIS A 29 -17.671 9.483 8.831 1.00 0.00 N ATOM 0 H HIS A 29 -18.060 5.753 6.434 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.495 6.722 6.389 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -16.958 5.231 8.603 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -15.430 6.051 8.853 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -15.590 8.922 8.381 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -19.726 9.069 9.184 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -17.633 10.498 8.920 1.00 0.00 H new ATOM 507 N LYS A 30 -15.401 3.452 6.689 1.00 0.00 N ATOM 508 CA LYS A 30 -14.488 2.317 6.546 1.00 0.00 C ATOM 509 C LYS A 30 -13.797 2.388 5.191 1.00 0.00 C ATOM 510 O LYS A 30 -12.575 2.423 5.111 1.00 0.00 O ATOM 511 CB LYS A 30 -15.222 0.975 6.681 1.00 0.00 C ATOM 512 CG LYS A 30 -15.945 0.766 8.001 1.00 0.00 C ATOM 513 CD LYS A 30 -16.668 -0.577 8.005 1.00 0.00 C ATOM 514 CE LYS A 30 -17.446 -0.814 9.294 1.00 0.00 C ATOM 515 NZ LYS A 30 -16.569 -0.907 10.485 1.00 0.00 N ATOM 0 H LYS A 30 -16.382 3.200 6.805 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.751 2.376 7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.946 0.891 5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.500 0.169 6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.231 0.804 8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.661 1.572 8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.352 -0.621 7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.941 -1.378 7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.160 -0.003 9.437 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.023 -1.734 9.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.140 -1.152 11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.850 -1.642 10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.101 0.008 10.643 1.00 0.00 H new ATOM 529 N VAL A 31 -14.604 2.514 4.143 1.00 0.00 N ATOM 530 CA VAL A 31 -14.131 2.566 2.757 1.00 0.00 C ATOM 531 C VAL A 31 -13.120 3.711 2.549 1.00 0.00 C ATOM 532 O VAL A 31 -12.102 3.539 1.868 1.00 0.00 O ATOM 533 CB VAL A 31 -15.336 2.700 1.777 1.00 0.00 C ATOM 534 CG1 VAL A 31 -14.880 2.806 0.328 1.00 0.00 C ATOM 535 CG2 VAL A 31 -16.276 1.513 1.946 1.00 0.00 C ATOM 0 H VAL A 31 -15.618 2.584 4.229 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.613 1.631 2.542 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.864 3.622 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.750 2.898 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.245 3.684 0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.318 1.912 0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.116 1.613 1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.738 0.590 1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.647 1.486 2.970 1.00 0.00 H new ATOM 545 N ILE A 32 -13.387 4.856 3.167 1.00 0.00 N ATOM 546 CA ILE A 32 -12.484 6.010 3.103 1.00 0.00 C ATOM 547 C ILE A 32 -11.121 5.655 3.729 1.00 0.00 C ATOM 548 O ILE A 32 -10.067 5.971 3.174 1.00 0.00 O ATOM 549 CB ILE A 32 -13.098 7.264 3.812 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.404 7.686 3.109 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.102 8.431 3.835 1.00 0.00 C ATOM 552 CD1 ILE A 32 -15.125 8.851 3.769 1.00 0.00 C ATOM 0 H ILE A 32 -14.227 5.015 3.723 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.340 6.262 2.052 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.322 6.994 4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.177 7.953 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.077 6.830 3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.556 9.287 4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.203 8.132 4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.838 8.704 2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.032 9.081 3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.388 8.584 4.793 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.473 9.724 3.778 1.00 0.00 H new ATOM 564 N SER A 33 -11.156 4.960 4.852 1.00 0.00 N ATOM 565 CA SER A 33 -9.947 4.540 5.542 1.00 0.00 C ATOM 566 C SER A 33 -9.124 3.572 4.672 1.00 0.00 C ATOM 567 O SER A 33 -7.900 3.712 4.559 1.00 0.00 O ATOM 568 CB SER A 33 -10.311 3.929 6.891 1.00 0.00 C ATOM 569 OG SER A 33 -11.085 4.860 7.655 1.00 0.00 O ATOM 0 H SER A 33 -12.020 4.671 5.311 1.00 0.00 H new ATOM 0 HA SER A 33 -9.317 5.411 5.724 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.876 3.009 6.743 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.405 3.663 7.436 1.00 0.00 H new ATOM 0 HG SER A 33 -11.992 4.911 7.287 1.00 0.00 H new ATOM 575 N PHE A 34 -9.805 2.639 4.008 1.00 0.00 N ATOM 576 CA PHE A 34 -9.135 1.708 3.104 1.00 0.00 C ATOM 577 C PHE A 34 -8.554 2.441 1.904 1.00 0.00 C ATOM 578 O PHE A 34 -7.464 2.126 1.448 1.00 0.00 O ATOM 579 CB PHE A 34 -10.068 0.596 2.636 1.00 0.00 C ATOM 580 CG PHE A 34 -10.481 -0.356 3.702 1.00 0.00 C ATOM 581 CD1 PHE A 34 -9.639 -1.356 4.106 1.00 0.00 C ATOM 582 CD2 PHE A 34 -11.712 -0.257 4.291 1.00 0.00 C ATOM 583 CE1 PHE A 34 -10.017 -2.244 5.084 1.00 0.00 C ATOM 584 CE2 PHE A 34 -12.102 -1.132 5.267 1.00 0.00 C ATOM 585 CZ PHE A 34 -11.249 -2.133 5.669 1.00 0.00 C ATOM 0 H PHE A 34 -10.814 2.509 4.079 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.323 1.248 3.666 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.961 1.047 2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.576 0.038 1.840 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.664 -1.449 3.650 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.388 0.526 3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.342 -3.029 5.391 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.077 -1.037 5.721 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.549 -2.826 6.441 1.00 0.00 H new ATOM 595 N SER A 35 -9.270 3.439 1.421 1.00 0.00 N ATOM 596 CA SER A 35 -8.807 4.241 0.301 1.00 0.00 C ATOM 597 C SER A 35 -7.511 4.982 0.683 1.00 0.00 C ATOM 598 O SER A 35 -6.569 5.078 -0.115 1.00 0.00 O ATOM 599 CB SER A 35 -9.904 5.216 -0.129 1.00 0.00 C ATOM 600 OG SER A 35 -11.103 4.513 -0.471 1.00 0.00 O ATOM 0 H SER A 35 -10.180 3.716 1.789 1.00 0.00 H new ATOM 0 HA SER A 35 -8.583 3.591 -0.545 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.107 5.920 0.678 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.563 5.800 -0.984 1.00 0.00 H new ATOM 0 HG SER A 35 -11.462 4.071 0.327 1.00 0.00 H new ATOM 606 N GLN A 36 -7.459 5.450 1.930 1.00 0.00 N ATOM 607 CA GLN A 36 -6.268 6.084 2.472 1.00 0.00 C ATOM 608 C GLN A 36 -5.117 5.085 2.533 1.00 0.00 C ATOM 609 O GLN A 36 -3.965 5.448 2.313 1.00 0.00 O ATOM 610 CB GLN A 36 -6.542 6.661 3.858 1.00 0.00 C ATOM 611 CG GLN A 36 -7.487 7.851 3.861 1.00 0.00 C ATOM 612 CD GLN A 36 -7.867 8.282 5.259 1.00 0.00 C ATOM 613 OE1 GLN A 36 -8.963 7.769 5.748 1.00 0.00 O flip ATOM 614 NE2 GLN A 36 -7.188 9.098 5.882 1.00 0.00 N flip ATOM 0 H GLN A 36 -8.239 5.399 2.586 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.987 6.904 1.810 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.961 5.877 4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.596 6.961 4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.017 8.686 3.342 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.389 7.597 3.304 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.337 9.477 5.466 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.476 9.395 6.814 1.00 0.00 H new ATOM 623 N GLU A 37 -5.428 3.824 2.840 1.00 0.00 N ATOM 624 CA GLU A 37 -4.414 2.778 2.853 1.00 0.00 C ATOM 625 C GLU A 37 -3.823 2.596 1.465 1.00 0.00 C ATOM 626 O GLU A 37 -2.615 2.637 1.306 1.00 0.00 O ATOM 627 CB GLU A 37 -4.951 1.440 3.369 1.00 0.00 C ATOM 628 CG GLU A 37 -5.421 1.460 4.809 1.00 0.00 C ATOM 629 CD GLU A 37 -5.755 0.079 5.321 1.00 0.00 C ATOM 630 OE1 GLU A 37 -4.825 -0.671 5.671 1.00 0.00 O ATOM 631 OE2 GLU A 37 -6.941 -0.297 5.378 1.00 0.00 O ATOM 0 H GLU A 37 -6.367 3.508 3.081 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.637 3.104 3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.781 1.128 2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.170 0.687 3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.646 1.900 5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.300 2.099 4.893 1.00 0.00 H new ATOM 638 N LEU A 38 -4.688 2.443 0.467 1.00 0.00 N ATOM 639 CA LEU A 38 -4.244 2.255 -0.917 1.00 0.00 C ATOM 640 C LEU A 38 -3.367 3.389 -1.405 1.00 0.00 C ATOM 641 O LEU A 38 -2.292 3.141 -1.946 1.00 0.00 O ATOM 642 CB LEU A 38 -5.412 2.013 -1.895 1.00 0.00 C ATOM 643 CG LEU A 38 -5.941 0.570 -2.019 1.00 0.00 C ATOM 644 CD1 LEU A 38 -4.830 -0.363 -2.467 1.00 0.00 C ATOM 645 CD2 LEU A 38 -6.566 0.076 -0.726 1.00 0.00 C ATOM 0 H LEU A 38 -5.701 2.445 0.587 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.639 1.349 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.242 2.652 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.097 2.344 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.727 0.575 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.219 -1.378 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.451 -0.039 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.021 -0.343 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.924 -0.944 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.821 0.096 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.402 0.721 -0.456 1.00 0.00 H new ATOM 657 N ASP A 39 -3.808 4.617 -1.185 1.00 0.00 N ATOM 658 CA ASP A 39 -3.047 5.797 -1.609 1.00 0.00 C ATOM 659 C ASP A 39 -1.666 5.835 -0.963 1.00 0.00 C ATOM 660 O ASP A 39 -0.650 6.052 -1.643 1.00 0.00 O ATOM 661 CB ASP A 39 -3.805 7.083 -1.288 1.00 0.00 C ATOM 662 CG ASP A 39 -2.993 8.323 -1.594 1.00 0.00 C ATOM 663 OD1 ASP A 39 -2.813 8.656 -2.777 1.00 0.00 O ATOM 664 OD2 ASP A 39 -2.543 9.001 -0.638 1.00 0.00 O ATOM 0 H ASP A 39 -4.688 4.830 -0.716 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.919 5.724 -2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.732 7.108 -1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.082 7.085 -0.234 1.00 0.00 H new ATOM 669 N ARG A 40 -1.627 5.588 0.332 1.00 0.00 N ATOM 670 CA ARG A 40 -0.377 5.609 1.074 1.00 0.00 C ATOM 671 C ARG A 40 0.552 4.482 0.652 1.00 0.00 C ATOM 672 O ARG A 40 1.724 4.720 0.399 1.00 0.00 O ATOM 673 CB ARG A 40 -0.617 5.599 2.582 1.00 0.00 C ATOM 674 CG ARG A 40 -1.249 6.881 3.103 1.00 0.00 C ATOM 675 CD ARG A 40 -1.600 6.776 4.574 1.00 0.00 C ATOM 676 NE ARG A 40 -2.608 5.730 4.817 1.00 0.00 N ATOM 677 CZ ARG A 40 -3.075 5.362 6.024 1.00 0.00 C ATOM 678 NH1 ARG A 40 -2.698 6.015 7.119 1.00 0.00 N ATOM 679 NH2 ARG A 40 -3.946 4.356 6.125 1.00 0.00 N ATOM 0 H ARG A 40 -2.449 5.369 0.896 1.00 0.00 H new ATOM 0 HA ARG A 40 0.122 6.546 0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.261 4.757 2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.333 5.438 3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.562 7.713 2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.149 7.102 2.529 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.700 6.556 5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.977 7.735 4.928 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.983 5.244 4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.051 6.800 7.047 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.056 5.731 8.031 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.258 3.866 5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.300 4.078 7.040 1.00 0.00 H new ATOM 693 N LEU A 41 0.020 3.270 0.536 1.00 0.00 N ATOM 694 CA LEU A 41 0.825 2.121 0.118 1.00 0.00 C ATOM 695 C LEU A 41 1.352 2.290 -1.289 1.00 0.00 C ATOM 696 O LEU A 41 2.501 1.979 -1.552 1.00 0.00 O ATOM 697 CB LEU A 41 0.085 0.780 0.270 1.00 0.00 C ATOM 698 CG LEU A 41 0.154 0.083 1.649 1.00 0.00 C ATOM 699 CD1 LEU A 41 -0.402 0.946 2.770 1.00 0.00 C ATOM 700 CD2 LEU A 41 -0.560 -1.258 1.597 1.00 0.00 C ATOM 0 H LEU A 41 -0.959 3.055 0.724 1.00 0.00 H new ATOM 0 HA LEU A 41 1.675 2.089 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.965 0.945 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.480 0.091 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 41 1.208 -0.080 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.328 0.407 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.170 1.871 2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.447 1.179 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.504 -1.738 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.605 -1.104 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.084 -1.895 0.852 1.00 0.00 H new ATOM 712 N LEU A 42 0.516 2.799 -2.182 1.00 0.00 N ATOM 713 CA LEU A 42 0.926 3.076 -3.552 1.00 0.00 C ATOM 714 C LEU A 42 2.095 4.058 -3.561 1.00 0.00 C ATOM 715 O LEU A 42 3.113 3.843 -4.224 1.00 0.00 O ATOM 716 CB LEU A 42 -0.244 3.662 -4.341 1.00 0.00 C ATOM 717 CG LEU A 42 0.042 4.038 -5.793 1.00 0.00 C ATOM 718 CD1 LEU A 42 0.416 2.813 -6.611 1.00 0.00 C ATOM 719 CD2 LEU A 42 -1.150 4.750 -6.394 1.00 0.00 C ATOM 0 H LEU A 42 -0.457 3.030 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 42 1.240 2.142 -4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.061 2.940 -4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.597 4.552 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 42 0.894 4.718 -5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.614 3.110 -7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.308 2.352 -6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.406 2.098 -6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.933 5.013 -7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.020 4.094 -6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.357 5.657 -5.825 1.00 0.00 H new ATOM 731 N ASN A 43 1.966 5.105 -2.772 1.00 0.00 N ATOM 732 CA ASN A 43 2.994 6.129 -2.682 1.00 0.00 C ATOM 733 C ASN A 43 4.244 5.657 -1.977 1.00 0.00 C ATOM 734 O ASN A 43 5.284 6.289 -2.090 1.00 0.00 O ATOM 735 CB ASN A 43 2.483 7.453 -2.109 1.00 0.00 C ATOM 736 CG ASN A 43 1.717 8.268 -3.136 1.00 0.00 C ATOM 737 OD1 ASN A 43 2.299 9.082 -3.863 1.00 0.00 O ATOM 738 ND2 ASN A 43 0.432 8.066 -3.222 1.00 0.00 N ATOM 0 H ASN A 43 1.154 5.272 -2.178 1.00 0.00 H new ATOM 0 HA ASN A 43 3.277 6.330 -3.715 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.838 7.251 -1.254 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.327 8.037 -1.741 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.122 8.586 -3.903 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.020 7.388 -2.609 1.00 0.00 H new ATOM 745 N LEU A 44 4.149 4.560 -1.246 1.00 0.00 N ATOM 746 CA LEU A 44 5.304 3.973 -0.582 1.00 0.00 C ATOM 747 C LEU A 44 6.332 3.456 -1.593 1.00 0.00 C ATOM 748 O LEU A 44 7.532 3.516 -1.346 1.00 0.00 O ATOM 749 CB LEU A 44 4.899 2.872 0.404 1.00 0.00 C ATOM 750 CG LEU A 44 4.158 3.314 1.673 1.00 0.00 C ATOM 751 CD1 LEU A 44 3.828 2.111 2.537 1.00 0.00 C ATOM 752 CD2 LEU A 44 4.980 4.326 2.466 1.00 0.00 C ATOM 0 H LEU A 44 3.277 4.053 -1.095 1.00 0.00 H new ATOM 0 HA LEU A 44 5.775 4.769 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.268 2.158 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.800 2.339 0.706 1.00 0.00 H new ATOM 0 HG LEU A 44 3.229 3.797 1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.303 2.440 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.194 1.424 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.750 1.604 2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.430 4.621 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.929 3.876 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.169 5.205 1.849 1.00 0.00 H new ATOM 764 N LEU A 45 5.872 2.990 -2.745 1.00 0.00 N ATOM 765 CA LEU A 45 6.799 2.536 -3.791 1.00 0.00 C ATOM 766 C LEU A 45 7.558 3.732 -4.359 1.00 0.00 C ATOM 767 O LEU A 45 8.763 3.656 -4.652 1.00 0.00 O ATOM 768 CB LEU A 45 6.088 1.764 -4.933 1.00 0.00 C ATOM 769 CG LEU A 45 5.519 0.359 -4.609 1.00 0.00 C ATOM 770 CD1 LEU A 45 4.356 0.418 -3.652 1.00 0.00 C ATOM 771 CD2 LEU A 45 5.112 -0.354 -5.878 1.00 0.00 C ATOM 0 H LEU A 45 4.883 2.914 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 45 7.494 1.837 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.267 2.383 -5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.794 1.658 -5.756 1.00 0.00 H new ATOM 0 HG LEU A 45 6.316 -0.201 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.994 -0.591 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.678 0.875 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.554 1.013 -4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.715 -1.339 -5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.347 0.227 -6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.980 -0.466 -6.527 1.00 0.00 H new ATOM 783 N ILE A 46 6.849 4.837 -4.466 1.00 0.00 N ATOM 784 CA ILE A 46 7.394 6.096 -4.949 1.00 0.00 C ATOM 785 C ILE A 46 8.347 6.681 -3.893 1.00 0.00 C ATOM 786 O ILE A 46 9.420 7.215 -4.222 1.00 0.00 O ATOM 787 CB ILE A 46 6.235 7.125 -5.294 1.00 0.00 C ATOM 788 CG1 ILE A 46 5.485 6.756 -6.601 1.00 0.00 C ATOM 789 CG2 ILE A 46 6.721 8.565 -5.357 1.00 0.00 C ATOM 790 CD1 ILE A 46 4.646 5.494 -6.546 1.00 0.00 C ATOM 0 H ILE A 46 5.861 4.890 -4.217 1.00 0.00 H new ATOM 0 HA ILE A 46 7.950 5.909 -5.868 1.00 0.00 H new ATOM 0 HB ILE A 46 5.531 7.049 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.837 7.589 -6.873 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.218 6.648 -7.400 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.884 9.221 -5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.141 8.850 -4.392 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.487 8.657 -6.127 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.168 5.333 -7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.285 4.643 -6.311 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.882 5.598 -5.776 1.00 0.00 H new ATOM 802 N GLU A 47 7.951 6.512 -2.640 1.00 0.00 N ATOM 803 CA GLU A 47 8.660 6.986 -1.453 1.00 0.00 C ATOM 804 C GLU A 47 10.123 6.555 -1.464 1.00 0.00 C ATOM 805 O GLU A 47 11.023 7.397 -1.453 1.00 0.00 O ATOM 806 CB GLU A 47 7.946 6.374 -0.230 1.00 0.00 C ATOM 807 CG GLU A 47 8.514 6.685 1.141 1.00 0.00 C ATOM 808 CD GLU A 47 8.425 8.128 1.503 1.00 0.00 C ATOM 809 OE1 GLU A 47 7.324 8.718 1.408 1.00 0.00 O ATOM 810 OE2 GLU A 47 9.442 8.686 1.953 1.00 0.00 O ATOM 0 H GLU A 47 7.088 6.019 -2.409 1.00 0.00 H new ATOM 0 HA GLU A 47 8.648 8.076 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.908 6.705 -0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.938 5.291 -0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.982 6.097 1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.558 6.373 1.173 1.00 0.00 H new