USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 428 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 ASN : amide:sc= -1.4 K(o=-1.4,f=-8.1!) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 44 THR OG1 : rot 19:sc= -0.579! USER MOD Set 2.2: A 53 THR OG1 : rot 169:sc= -0.0322! USER MOD Single : A 1 THR N :NH3+ 141:sc= 0.2 (180deg=0.0265) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= -1.36 (180deg=-2.07) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 40:sc= -0.257 USER MOD Single : A 25 THR OG1 : rot -160:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.0132 K(o=-0.013,f=-1.3) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.344 USER MOD Single : A 49 THR OG1 : rot -44:sc= 0.824 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -160:sc= -1.45 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 15.010 3.556 4.684 1.00 0.00 N ATOM 2 CA THR A 1 14.240 2.971 3.548 1.00 0.00 C ATOM 3 C THR A 1 12.873 2.482 4.033 1.00 0.00 C ATOM 4 O THR A 1 12.681 1.309 4.293 1.00 0.00 O ATOM 5 CB THR A 1 15.088 1.795 3.059 1.00 0.00 C ATOM 6 OG1 THR A 1 16.427 2.230 2.862 1.00 0.00 O ATOM 7 CG2 THR A 1 14.521 1.268 1.741 1.00 0.00 C ATOM 0 H1 THR A 1 16.011 3.287 4.600 1.00 0.00 H new ATOM 0 H2 THR A 1 14.927 4.592 4.663 1.00 0.00 H new ATOM 0 H3 THR A 1 14.630 3.197 5.583 1.00 0.00 H new ATOM 0 HA THR A 1 14.055 3.697 2.756 1.00 0.00 H new ATOM 0 HB THR A 1 15.070 0.998 3.803 1.00 0.00 H new ATOM 0 HG1 THR A 1 16.973 1.478 2.550 1.00 0.00 H new ATOM 0 HG21 THR A 1 15.126 0.430 1.394 1.00 0.00 H new ATOM 0 HG22 THR A 1 13.494 0.935 1.894 1.00 0.00 H new ATOM 0 HG23 THR A 1 14.538 2.062 0.994 1.00 0.00 H new ATOM 17 N THR A 2 11.924 3.376 4.157 1.00 0.00 N ATOM 18 CA THR A 2 10.565 2.974 4.625 1.00 0.00 C ATOM 19 C THR A 2 9.507 3.392 3.600 1.00 0.00 C ATOM 20 O THR A 2 9.370 4.557 3.278 1.00 0.00 O ATOM 21 CB THR A 2 10.363 3.724 5.942 1.00 0.00 C ATOM 22 OG1 THR A 2 11.552 3.644 6.717 1.00 0.00 O ATOM 23 CG2 THR A 2 9.204 3.097 6.718 1.00 0.00 C ATOM 0 H THR A 2 12.034 4.369 3.953 1.00 0.00 H new ATOM 0 HA THR A 2 10.474 1.895 4.752 1.00 0.00 H new ATOM 0 HB THR A 2 10.133 4.769 5.733 1.00 0.00 H new ATOM 0 HG1 THR A 2 11.425 4.126 7.561 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.062 3.633 7.656 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.293 3.158 6.123 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.430 2.052 6.928 1.00 0.00 H new ATOM 31 N PHE A 3 8.760 2.447 3.087 1.00 0.00 N ATOM 32 CA PHE A 3 7.707 2.778 2.080 1.00 0.00 C ATOM 33 C PHE A 3 6.424 3.230 2.785 1.00 0.00 C ATOM 34 O PHE A 3 6.291 3.103 3.987 1.00 0.00 O ATOM 35 CB PHE A 3 7.480 1.477 1.309 1.00 0.00 C ATOM 36 CG PHE A 3 8.748 1.109 0.572 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.322 2.018 -0.325 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.351 -0.138 0.788 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.498 1.682 -1.006 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.527 -0.472 0.107 1.00 0.00 C ATOM 41 CZ PHE A 3 11.101 0.437 -0.790 1.00 0.00 C ATOM 0 H PHE A 3 8.835 1.458 3.323 1.00 0.00 H new ATOM 0 HA PHE A 3 8.002 3.593 1.419 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.199 0.678 1.995 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.657 1.597 0.604 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.857 2.979 -0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 3 8.908 -0.840 1.479 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.940 2.383 -1.698 1.00 0.00 H new ATOM 0 HE2 PHE A 3 10.992 -1.432 0.274 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.009 0.178 -1.315 1.00 0.00 H new ATOM 51 N LYS A 4 5.483 3.764 2.045 1.00 0.00 N ATOM 52 CA LYS A 4 4.209 4.236 2.668 1.00 0.00 C ATOM 53 C LYS A 4 3.017 3.912 1.763 1.00 0.00 C ATOM 54 O LYS A 4 3.107 3.996 0.555 1.00 0.00 O ATOM 55 CB LYS A 4 4.381 5.754 2.805 1.00 0.00 C ATOM 56 CG LYS A 4 3.128 6.375 3.432 1.00 0.00 C ATOM 57 CD LYS A 4 2.964 5.878 4.867 1.00 0.00 C ATOM 58 CE LYS A 4 1.722 6.522 5.486 1.00 0.00 C ATOM 59 NZ LYS A 4 1.591 5.889 6.828 1.00 0.00 N ATOM 0 H LYS A 4 5.543 3.893 1.035 1.00 0.00 H new ATOM 0 HA LYS A 4 4.015 3.754 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.252 5.974 3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.564 6.196 1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.206 7.462 3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.248 6.113 2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.869 4.792 4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.848 6.128 5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.837 7.603 5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.837 6.341 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.945 6.453 7.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.212 4.926 6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.525 5.845 7.284 1.00 0.00 H new ATOM 73 N LEU A 5 1.898 3.561 2.346 1.00 0.00 N ATOM 74 CA LEU A 5 0.684 3.250 1.534 1.00 0.00 C ATOM 75 C LEU A 5 -0.571 3.659 2.306 1.00 0.00 C ATOM 76 O LEU A 5 -0.722 3.345 3.472 1.00 0.00 O ATOM 77 CB LEU A 5 0.702 1.734 1.308 1.00 0.00 C ATOM 78 CG LEU A 5 -0.023 1.401 -0.010 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.817 0.423 -0.840 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.384 0.767 0.298 1.00 0.00 C ATOM 0 H LEU A 5 1.774 3.476 3.355 1.00 0.00 H new ATOM 0 HA LEU A 5 0.680 3.789 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.730 1.374 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.216 1.226 2.141 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.167 2.321 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.296 0.194 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.783 0.875 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.970 -0.496 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.896 0.532 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.238 -0.148 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.988 1.466 0.877 1.00 0.00 H new ATOM 92 N ILE A 6 -1.466 4.361 1.665 1.00 0.00 N ATOM 93 CA ILE A 6 -2.715 4.804 2.351 1.00 0.00 C ATOM 94 C ILE A 6 -3.900 3.942 1.891 1.00 0.00 C ATOM 95 O ILE A 6 -4.049 3.650 0.720 1.00 0.00 O ATOM 96 CB ILE A 6 -2.872 6.270 1.924 1.00 0.00 C ATOM 97 CG1 ILE A 6 -1.764 7.102 2.594 1.00 0.00 C ATOM 98 CG2 ILE A 6 -4.253 6.816 2.327 1.00 0.00 C ATOM 99 CD1 ILE A 6 -1.934 7.094 4.118 1.00 0.00 C ATOM 0 H ILE A 6 -1.386 4.649 0.690 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.676 4.703 3.436 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.788 6.336 0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.787 6.698 2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.796 8.127 2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.339 7.856 2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.032 6.226 1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.368 6.753 3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.142 7.687 4.576 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.903 7.520 4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.878 6.069 4.485 1.00 0.00 H new ATOM 111 N ILE A 7 -4.735 3.535 2.813 1.00 0.00 N ATOM 112 CA ILE A 7 -5.912 2.690 2.448 1.00 0.00 C ATOM 113 C ILE A 7 -7.091 3.578 2.037 1.00 0.00 C ATOM 114 O ILE A 7 -7.541 4.416 2.795 1.00 0.00 O ATOM 115 CB ILE A 7 -6.251 1.901 3.718 1.00 0.00 C ATOM 116 CG1 ILE A 7 -5.044 1.057 4.138 1.00 0.00 C ATOM 117 CG2 ILE A 7 -7.441 0.976 3.450 1.00 0.00 C ATOM 118 CD1 ILE A 7 -5.253 0.544 5.564 1.00 0.00 C ATOM 0 H ILE A 7 -4.652 3.752 3.806 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.700 2.030 1.607 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.504 2.601 4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.917 0.219 3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.133 1.653 4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.679 0.417 4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.305 1.571 3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.188 0.280 2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.394 -0.057 5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.359 1.390 6.243 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.155 -0.067 5.602 1.00 0.00 H new ATOM 130 N ASN A 8 -7.593 3.393 0.843 1.00 0.00 N ATOM 131 CA ASN A 8 -8.746 4.215 0.373 1.00 0.00 C ATOM 132 C ASN A 8 -9.962 3.317 0.135 1.00 0.00 C ATOM 133 O ASN A 8 -10.560 3.332 -0.925 1.00 0.00 O ATOM 134 CB ASN A 8 -8.276 4.849 -0.937 1.00 0.00 C ATOM 135 CG ASN A 8 -7.321 6.006 -0.632 1.00 0.00 C ATOM 136 OD1 ASN A 8 -6.706 6.042 0.415 1.00 0.00 O ATOM 137 ND2 ASN A 8 -7.171 6.960 -1.509 1.00 0.00 N ATOM 0 H ASN A 8 -7.252 2.705 0.172 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.044 4.970 1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.775 4.104 -1.555 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.132 5.211 -1.506 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.538 7.736 -1.315 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.687 6.930 -2.388 1.00 0.00 H new ATOM 144 N GLY A 9 -10.325 2.535 1.118 1.00 0.00 N ATOM 145 CA GLY A 9 -11.499 1.627 0.966 1.00 0.00 C ATOM 146 C GLY A 9 -12.782 2.390 1.293 1.00 0.00 C ATOM 147 O GLY A 9 -12.785 3.302 2.099 1.00 0.00 O ATOM 0 H GLY A 9 -9.857 2.486 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.543 1.240 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.396 0.768 1.629 1.00 0.00 H new ATOM 151 N LYS A 10 -13.874 2.025 0.668 1.00 0.00 N ATOM 152 CA LYS A 10 -15.170 2.723 0.929 1.00 0.00 C ATOM 153 C LYS A 10 -15.513 2.689 2.423 1.00 0.00 C ATOM 154 O LYS A 10 -16.125 3.600 2.949 1.00 0.00 O ATOM 155 CB LYS A 10 -16.215 1.946 0.125 1.00 0.00 C ATOM 156 CG LYS A 10 -15.891 2.047 -1.367 1.00 0.00 C ATOM 157 CD LYS A 10 -17.069 1.514 -2.185 1.00 0.00 C ATOM 158 CE LYS A 10 -17.084 2.188 -3.559 1.00 0.00 C ATOM 159 NZ LYS A 10 -17.457 1.107 -4.513 1.00 0.00 N ATOM 0 H LYS A 10 -13.923 1.269 -0.015 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.128 3.773 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.225 0.901 0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.210 2.346 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.688 3.084 -1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.990 1.476 -1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.986 0.433 -2.299 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.006 1.709 -1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.803 3.007 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.109 2.610 -3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.488 1.492 -5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.751 0.345 -4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.392 0.729 -4.261 1.00 0.00 H new ATOM 173 N THR A 11 -15.121 1.643 3.104 1.00 0.00 N ATOM 174 CA THR A 11 -15.417 1.538 4.564 1.00 0.00 C ATOM 175 C THR A 11 -14.116 1.459 5.367 1.00 0.00 C ATOM 176 O THR A 11 -14.019 1.988 6.459 1.00 0.00 O ATOM 177 CB THR A 11 -16.218 0.243 4.713 1.00 0.00 C ATOM 178 OG1 THR A 11 -17.308 0.255 3.802 1.00 0.00 O ATOM 179 CG2 THR A 11 -16.748 0.130 6.144 1.00 0.00 C ATOM 0 H THR A 11 -14.607 0.855 2.710 1.00 0.00 H new ATOM 0 HA THR A 11 -15.965 2.403 4.936 1.00 0.00 H new ATOM 0 HB THR A 11 -15.574 -0.610 4.498 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.821 -0.575 3.895 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.318 -0.793 6.249 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.911 0.121 6.842 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.393 0.982 6.362 1.00 0.00 H new ATOM 187 N LEU A 12 -13.117 0.800 4.834 1.00 0.00 N ATOM 188 CA LEU A 12 -11.818 0.680 5.561 1.00 0.00 C ATOM 189 C LEU A 12 -10.845 1.767 5.096 1.00 0.00 C ATOM 190 O LEU A 12 -10.894 2.213 3.966 1.00 0.00 O ATOM 191 CB LEU A 12 -11.287 -0.706 5.197 1.00 0.00 C ATOM 192 CG LEU A 12 -12.219 -1.776 5.767 1.00 0.00 C ATOM 193 CD1 LEU A 12 -12.162 -3.025 4.886 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.774 -2.134 7.187 1.00 0.00 C ATOM 0 H LEU A 12 -13.146 0.339 3.924 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.936 0.802 6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.219 -0.808 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.280 -0.837 5.594 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.240 -1.394 5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.826 -3.788 5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.477 -2.771 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.142 -3.408 4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.437 -2.897 7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.753 -2.516 7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.814 -1.245 7.816 1.00 0.00 H new ATOM 206 N LYS A 13 -9.961 2.192 5.964 1.00 0.00 N ATOM 207 CA LYS A 13 -8.976 3.250 5.585 1.00 0.00 C ATOM 208 C LYS A 13 -7.799 3.243 6.565 1.00 0.00 C ATOM 209 O LYS A 13 -7.696 2.380 7.418 1.00 0.00 O ATOM 210 CB LYS A 13 -9.751 4.570 5.682 1.00 0.00 C ATOM 211 CG LYS A 13 -10.033 5.110 4.277 1.00 0.00 C ATOM 212 CD LYS A 13 -11.334 5.915 4.292 1.00 0.00 C ATOM 213 CE LYS A 13 -11.306 6.951 3.166 1.00 0.00 C ATOM 214 NZ LYS A 13 -12.675 7.537 3.148 1.00 0.00 N ATOM 0 H LYS A 13 -9.879 1.850 6.922 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.563 3.096 4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.688 4.414 6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.176 5.299 6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.207 5.739 3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.111 4.286 3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.188 5.249 4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.456 6.412 5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.552 7.716 3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.062 6.488 2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.734 8.257 2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.371 6.787 2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.877 7.976 4.069 1.00 0.00 H new ATOM 228 N GLY A 14 -6.913 4.200 6.450 1.00 0.00 N ATOM 229 CA GLY A 14 -5.741 4.259 7.371 1.00 0.00 C ATOM 230 C GLY A 14 -4.455 4.418 6.559 1.00 0.00 C ATOM 231 O GLY A 14 -4.424 5.111 5.559 1.00 0.00 O ATOM 0 H GLY A 14 -6.953 4.945 5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.851 5.094 8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.693 3.351 7.973 1.00 0.00 H new ATOM 235 N GLU A 15 -3.394 3.782 6.985 1.00 0.00 N ATOM 236 CA GLU A 15 -2.100 3.890 6.247 1.00 0.00 C ATOM 237 C GLU A 15 -1.154 2.760 6.671 1.00 0.00 C ATOM 238 O GLU A 15 -1.443 2.016 7.589 1.00 0.00 O ATOM 239 CB GLU A 15 -1.532 5.259 6.640 1.00 0.00 C ATOM 240 CG GLU A 15 -1.311 5.324 8.157 1.00 0.00 C ATOM 241 CD GLU A 15 -1.508 6.762 8.640 1.00 0.00 C ATOM 242 OE1 GLU A 15 -0.918 7.651 8.048 1.00 0.00 O ATOM 243 OE2 GLU A 15 -2.245 6.950 9.594 1.00 0.00 O ATOM 0 H GLU A 15 -3.368 3.190 7.815 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.227 3.802 5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.590 5.433 6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.218 6.048 6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.009 4.659 8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.306 4.981 8.404 1.00 0.00 H new ATOM 250 N THR A 16 -0.027 2.628 6.012 1.00 0.00 N ATOM 251 CA THR A 16 0.934 1.543 6.385 1.00 0.00 C ATOM 252 C THR A 16 2.286 1.744 5.692 1.00 0.00 C ATOM 253 O THR A 16 2.361 2.246 4.587 1.00 0.00 O ATOM 254 CB THR A 16 0.276 0.241 5.910 1.00 0.00 C ATOM 255 OG1 THR A 16 1.131 -0.853 6.210 1.00 0.00 O ATOM 256 CG2 THR A 16 0.028 0.296 4.399 1.00 0.00 C ATOM 0 H THR A 16 0.267 3.221 5.236 1.00 0.00 H new ATOM 0 HA THR A 16 1.134 1.535 7.456 1.00 0.00 H new ATOM 0 HB THR A 16 -0.678 0.115 6.421 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.713 -1.687 5.909 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.439 -0.633 4.073 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.630 1.134 4.169 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.977 0.427 3.879 1.00 0.00 H new ATOM 264 N THR A 17 3.351 1.339 6.337 1.00 0.00 N ATOM 265 CA THR A 17 4.708 1.482 5.731 1.00 0.00 C ATOM 266 C THR A 17 5.479 0.171 5.877 1.00 0.00 C ATOM 267 O THR A 17 5.180 -0.638 6.736 1.00 0.00 O ATOM 268 CB THR A 17 5.402 2.583 6.530 1.00 0.00 C ATOM 269 OG1 THR A 17 5.397 2.238 7.909 1.00 0.00 O ATOM 270 CG2 THR A 17 4.670 3.910 6.332 1.00 0.00 C ATOM 0 H THR A 17 3.337 0.913 7.264 1.00 0.00 H new ATOM 0 HA THR A 17 4.656 1.723 4.669 1.00 0.00 H new ATOM 0 HB THR A 17 6.430 2.688 6.182 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.843 2.942 8.424 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.171 4.691 6.905 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.677 4.175 5.275 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.640 3.812 6.675 1.00 0.00 H new ATOM 278 N THR A 18 6.468 -0.044 5.049 1.00 0.00 N ATOM 279 CA THR A 18 7.258 -1.296 5.139 1.00 0.00 C ATOM 280 C THR A 18 8.726 -1.003 4.766 1.00 0.00 C ATOM 281 O THR A 18 9.031 -0.005 4.140 1.00 0.00 O ATOM 282 CB THR A 18 6.546 -2.259 4.149 1.00 0.00 C ATOM 283 OG1 THR A 18 5.831 -3.235 4.890 1.00 0.00 O ATOM 284 CG2 THR A 18 7.540 -2.968 3.228 1.00 0.00 C ATOM 0 H THR A 18 6.759 0.600 4.313 1.00 0.00 H new ATOM 0 HA THR A 18 7.300 -1.735 6.136 1.00 0.00 H new ATOM 0 HB THR A 18 5.873 -1.667 3.529 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.409 -2.812 5.667 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.000 -3.631 2.552 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.090 -2.227 2.647 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.239 -3.551 3.827 1.00 0.00 H new ATOM 292 N GLU A 19 9.620 -1.883 5.135 1.00 0.00 N ATOM 293 CA GLU A 19 11.060 -1.688 4.797 1.00 0.00 C ATOM 294 C GLU A 19 11.531 -2.846 3.914 1.00 0.00 C ATOM 295 O GLU A 19 11.521 -3.991 4.327 1.00 0.00 O ATOM 296 CB GLU A 19 11.793 -1.698 6.137 1.00 0.00 C ATOM 297 CG GLU A 19 13.214 -1.163 5.944 1.00 0.00 C ATOM 298 CD GLU A 19 14.170 -1.896 6.886 1.00 0.00 C ATOM 299 OE1 GLU A 19 14.339 -3.092 6.714 1.00 0.00 O ATOM 300 OE2 GLU A 19 14.719 -1.249 7.763 1.00 0.00 O ATOM 0 H GLU A 19 9.412 -2.733 5.659 1.00 0.00 H new ATOM 0 HA GLU A 19 11.244 -0.762 4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.257 -1.085 6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.825 -2.711 6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.529 -1.302 4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.240 -0.092 6.144 1.00 0.00 H new ATOM 307 N ALA A 20 11.927 -2.560 2.700 1.00 0.00 N ATOM 308 CA ALA A 20 12.382 -3.650 1.785 1.00 0.00 C ATOM 309 C ALA A 20 13.385 -3.116 0.761 1.00 0.00 C ATOM 310 O ALA A 20 13.698 -1.941 0.735 1.00 0.00 O ATOM 311 CB ALA A 20 11.107 -4.120 1.085 1.00 0.00 C ATOM 0 H ALA A 20 11.955 -1.621 2.303 1.00 0.00 H new ATOM 0 HA ALA A 20 12.885 -4.454 2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.349 -4.924 0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.397 -4.483 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.665 -3.288 0.537 1.00 0.00 H new ATOM 317 N VAL A 21 13.891 -3.980 -0.084 1.00 0.00 N ATOM 318 CA VAL A 21 14.881 -3.542 -1.117 1.00 0.00 C ATOM 319 C VAL A 21 14.270 -2.462 -2.020 1.00 0.00 C ATOM 320 O VAL A 21 14.922 -1.498 -2.376 1.00 0.00 O ATOM 321 CB VAL A 21 15.215 -4.804 -1.928 1.00 0.00 C ATOM 322 CG1 VAL A 21 15.817 -5.861 -1.000 1.00 0.00 C ATOM 323 CG2 VAL A 21 13.946 -5.369 -2.582 1.00 0.00 C ATOM 0 H VAL A 21 13.660 -4.973 -0.103 1.00 0.00 H new ATOM 0 HA VAL A 21 15.773 -3.108 -0.666 1.00 0.00 H new ATOM 0 HB VAL A 21 15.931 -4.542 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.054 -6.757 -1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.727 -5.470 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.099 -6.111 -0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.198 -6.263 -3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.221 -5.625 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.517 -4.621 -3.249 1.00 0.00 H new ATOM 333 N ASP A 22 13.024 -2.620 -2.387 1.00 0.00 N ATOM 334 CA ASP A 22 12.354 -1.613 -3.263 1.00 0.00 C ATOM 335 C ASP A 22 10.853 -1.597 -2.972 1.00 0.00 C ATOM 336 O ASP A 22 10.308 -2.551 -2.448 1.00 0.00 O ATOM 337 CB ASP A 22 12.612 -2.081 -4.698 1.00 0.00 C ATOM 338 CG ASP A 22 14.118 -2.120 -4.972 1.00 0.00 C ATOM 339 OD1 ASP A 22 14.695 -1.060 -5.151 1.00 0.00 O ATOM 340 OD2 ASP A 22 14.667 -3.209 -4.997 1.00 0.00 O ATOM 0 H ASP A 22 12.438 -3.409 -2.115 1.00 0.00 H new ATOM 0 HA ASP A 22 12.733 -0.605 -3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.180 -3.070 -4.850 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.123 -1.408 -5.402 1.00 0.00 H new ATOM 345 N ALA A 23 10.183 -0.525 -3.309 1.00 0.00 N ATOM 346 CA ALA A 23 8.711 -0.450 -3.053 1.00 0.00 C ATOM 347 C ALA A 23 7.986 -1.558 -3.820 1.00 0.00 C ATOM 348 O ALA A 23 6.934 -2.017 -3.413 1.00 0.00 O ATOM 349 CB ALA A 23 8.280 0.928 -3.558 1.00 0.00 C ATOM 0 H ALA A 23 10.589 0.300 -3.749 1.00 0.00 H new ATOM 0 HA ALA A 23 8.471 -0.583 -1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.209 1.054 -3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.820 1.701 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.504 1.012 -4.621 1.00 0.00 H new ATOM 355 N ALA A 24 8.546 -2.000 -4.920 1.00 0.00 N ATOM 356 CA ALA A 24 7.895 -3.092 -5.708 1.00 0.00 C ATOM 357 C ALA A 24 7.784 -4.350 -4.844 1.00 0.00 C ATOM 358 O ALA A 24 6.753 -4.995 -4.798 1.00 0.00 O ATOM 359 CB ALA A 24 8.820 -3.340 -6.902 1.00 0.00 C ATOM 0 H ALA A 24 9.424 -1.652 -5.305 1.00 0.00 H new ATOM 0 HA ALA A 24 6.888 -2.828 -6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.404 -4.131 -7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.911 -2.425 -7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.805 -3.640 -6.543 1.00 0.00 H new ATOM 365 N THR A 25 8.839 -4.690 -4.147 1.00 0.00 N ATOM 366 CA THR A 25 8.806 -5.896 -3.267 1.00 0.00 C ATOM 367 C THR A 25 7.856 -5.644 -2.090 1.00 0.00 C ATOM 368 O THR A 25 7.000 -6.459 -1.784 1.00 0.00 O ATOM 369 CB THR A 25 10.258 -6.083 -2.785 1.00 0.00 C ATOM 370 OG1 THR A 25 11.057 -6.524 -3.873 1.00 0.00 O ATOM 371 CG2 THR A 25 10.321 -7.123 -1.656 1.00 0.00 C ATOM 0 H THR A 25 9.724 -4.182 -4.150 1.00 0.00 H new ATOM 0 HA THR A 25 8.445 -6.787 -3.781 1.00 0.00 H new ATOM 0 HB THR A 25 10.630 -5.131 -2.407 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.874 -6.942 -3.530 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.354 -7.242 -1.328 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.711 -6.787 -0.818 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.943 -8.079 -2.020 1.00 0.00 H new ATOM 379 N ALA A 26 8.003 -4.524 -1.424 1.00 0.00 N ATOM 380 CA ALA A 26 7.113 -4.227 -0.263 1.00 0.00 C ATOM 381 C ALA A 26 5.655 -4.198 -0.715 1.00 0.00 C ATOM 382 O ALA A 26 4.825 -4.909 -0.192 1.00 0.00 O ATOM 383 CB ALA A 26 7.534 -2.844 0.245 1.00 0.00 C ATOM 0 H ALA A 26 8.698 -3.807 -1.634 1.00 0.00 H new ATOM 0 HA ALA A 26 7.201 -4.985 0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.917 -2.567 1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.581 -2.871 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.404 -2.109 -0.550 1.00 0.00 H new ATOM 389 N GLU A 27 5.347 -3.371 -1.686 1.00 0.00 N ATOM 390 CA GLU A 27 3.937 -3.252 -2.195 1.00 0.00 C ATOM 391 C GLU A 27 3.257 -4.623 -2.342 1.00 0.00 C ATOM 392 O GLU A 27 2.076 -4.762 -2.080 1.00 0.00 O ATOM 393 CB GLU A 27 4.069 -2.568 -3.558 1.00 0.00 C ATOM 394 CG GLU A 27 2.680 -2.291 -4.137 1.00 0.00 C ATOM 395 CD GLU A 27 2.762 -2.246 -5.663 1.00 0.00 C ATOM 396 OE1 GLU A 27 3.767 -1.775 -6.169 1.00 0.00 O ATOM 397 OE2 GLU A 27 1.818 -2.683 -6.301 1.00 0.00 O ATOM 0 H GLU A 27 6.019 -2.764 -2.155 1.00 0.00 H new ATOM 0 HA GLU A 27 3.313 -2.690 -1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.622 -1.635 -3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.637 -3.201 -4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.982 -3.067 -3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.297 -1.345 -3.755 1.00 0.00 H new ATOM 404 N LYS A 28 3.994 -5.638 -2.728 1.00 0.00 N ATOM 405 CA LYS A 28 3.380 -6.998 -2.850 1.00 0.00 C ATOM 406 C LYS A 28 2.922 -7.444 -1.463 1.00 0.00 C ATOM 407 O LYS A 28 1.826 -7.938 -1.283 1.00 0.00 O ATOM 408 CB LYS A 28 4.493 -7.912 -3.370 1.00 0.00 C ATOM 409 CG LYS A 28 4.996 -7.404 -4.724 1.00 0.00 C ATOM 410 CD LYS A 28 6.446 -7.851 -4.926 1.00 0.00 C ATOM 411 CE LYS A 28 6.469 -9.189 -5.669 1.00 0.00 C ATOM 412 NZ LYS A 28 6.472 -8.825 -7.114 1.00 0.00 N ATOM 0 H LYS A 28 4.985 -5.584 -2.962 1.00 0.00 H new ATOM 0 HA LYS A 28 2.519 -7.018 -3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.315 -7.941 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.121 -8.932 -3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.369 -7.792 -5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.930 -6.317 -4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.994 -7.099 -5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.945 -7.950 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.352 -9.772 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.600 -9.796 -5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.487 -9.691 -7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.616 -8.277 -7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.314 -8.253 -7.326 1.00 0.00 H new ATOM 426 N VAL A 29 3.754 -7.229 -0.477 1.00 0.00 N ATOM 427 CA VAL A 29 3.379 -7.589 0.923 1.00 0.00 C ATOM 428 C VAL A 29 2.248 -6.658 1.372 1.00 0.00 C ATOM 429 O VAL A 29 1.283 -7.086 1.977 1.00 0.00 O ATOM 430 CB VAL A 29 4.668 -7.367 1.745 1.00 0.00 C ATOM 431 CG1 VAL A 29 4.359 -7.241 3.246 1.00 0.00 C ATOM 432 CG2 VAL A 29 5.611 -8.552 1.526 1.00 0.00 C ATOM 0 H VAL A 29 4.681 -6.818 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 29 3.021 -8.612 1.039 1.00 0.00 H new ATOM 0 HB VAL A 29 5.133 -6.439 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.287 -7.086 3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.693 -6.394 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.878 -8.154 3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.523 -8.402 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.123 -9.471 1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.860 -8.628 0.468 1.00 0.00 H new ATOM 442 N LEU A 30 2.364 -5.382 1.078 1.00 0.00 N ATOM 443 CA LEU A 30 1.298 -4.414 1.485 1.00 0.00 C ATOM 444 C LEU A 30 -0.032 -4.860 0.880 1.00 0.00 C ATOM 445 O LEU A 30 -1.081 -4.684 1.464 1.00 0.00 O ATOM 446 CB LEU A 30 1.752 -3.056 0.923 1.00 0.00 C ATOM 447 CG LEU A 30 2.848 -2.393 1.805 1.00 0.00 C ATOM 448 CD1 LEU A 30 2.218 -1.667 2.989 1.00 0.00 C ATOM 449 CD2 LEU A 30 3.857 -3.409 2.351 1.00 0.00 C ATOM 0 H LEU A 30 3.151 -4.972 0.574 1.00 0.00 H new ATOM 0 HA LEU A 30 1.155 -4.356 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.135 -3.193 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.893 -2.389 0.851 1.00 0.00 H new ATOM 0 HG LEU A 30 3.374 -1.691 1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.001 -1.210 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.543 -0.893 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.659 -2.379 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.600 -2.893 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.336 -4.147 2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.354 -3.911 1.521 1.00 0.00 H new ATOM 461 N LYS A 31 0.021 -5.493 -0.268 1.00 0.00 N ATOM 462 CA LYS A 31 -1.227 -6.020 -0.897 1.00 0.00 C ATOM 463 C LYS A 31 -1.798 -7.078 0.037 1.00 0.00 C ATOM 464 O LYS A 31 -2.983 -7.139 0.297 1.00 0.00 O ATOM 465 CB LYS A 31 -0.776 -6.682 -2.199 1.00 0.00 C ATOM 466 CG LYS A 31 -1.937 -6.706 -3.202 1.00 0.00 C ATOM 467 CD LYS A 31 -2.942 -7.805 -2.821 1.00 0.00 C ATOM 468 CE LYS A 31 -2.235 -9.166 -2.763 1.00 0.00 C ATOM 469 NZ LYS A 31 -3.046 -10.069 -3.628 1.00 0.00 N ATOM 0 H LYS A 31 0.877 -5.666 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.977 -5.250 -1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.069 -6.137 -2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.434 -7.698 -2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.435 -5.736 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.556 -6.884 -4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.392 -7.578 -1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.752 -7.837 -3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.209 -9.092 -3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.186 -9.540 -1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.620 -11.018 -3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.016 -10.127 -3.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.069 -9.693 -4.597 1.00 0.00 H new ATOM 483 N GLN A 32 -0.927 -7.901 0.564 1.00 0.00 N ATOM 484 CA GLN A 32 -1.361 -8.964 1.519 1.00 0.00 C ATOM 485 C GLN A 32 -2.137 -8.318 2.671 1.00 0.00 C ATOM 486 O GLN A 32 -3.174 -8.799 3.086 1.00 0.00 O ATOM 487 CB GLN A 32 -0.072 -9.594 2.027 1.00 0.00 C ATOM 488 CG GLN A 32 -0.316 -11.066 2.363 1.00 0.00 C ATOM 489 CD GLN A 32 0.955 -11.671 2.962 1.00 0.00 C ATOM 490 OE1 GLN A 32 2.044 -11.419 2.487 1.00 0.00 O ATOM 491 NE2 GLN A 32 0.861 -12.466 3.993 1.00 0.00 N ATOM 0 H GLN A 32 0.074 -7.881 0.371 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.012 -9.707 1.058 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.709 -9.508 1.271 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.280 -9.063 2.911 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.142 -11.157 3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.603 -11.612 1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.054 -12.678 4.392 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.702 -12.875 4.400 1.00 0.00 H new ATOM 500 N TYR A 33 -1.649 -7.200 3.158 1.00 0.00 N ATOM 501 CA TYR A 33 -2.366 -6.476 4.251 1.00 0.00 C ATOM 502 C TYR A 33 -3.731 -6.033 3.714 1.00 0.00 C ATOM 503 O TYR A 33 -4.744 -6.141 4.378 1.00 0.00 O ATOM 504 CB TYR A 33 -1.481 -5.267 4.577 1.00 0.00 C ATOM 505 CG TYR A 33 -2.156 -4.417 5.617 1.00 0.00 C ATOM 506 CD1 TYR A 33 -2.091 -4.790 6.958 1.00 0.00 C ATOM 507 CD2 TYR A 33 -2.855 -3.267 5.237 1.00 0.00 C ATOM 508 CE1 TYR A 33 -2.723 -4.014 7.929 1.00 0.00 C ATOM 509 CE2 TYR A 33 -3.489 -2.487 6.208 1.00 0.00 C ATOM 510 CZ TYR A 33 -3.424 -2.860 7.557 1.00 0.00 C ATOM 511 OH TYR A 33 -4.050 -2.092 8.517 1.00 0.00 O ATOM 0 H TYR A 33 -0.784 -6.760 2.844 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.536 -7.083 5.140 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.509 -5.602 4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.300 -4.682 3.675 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.551 -5.680 7.245 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.905 -2.982 4.196 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.672 -4.303 8.968 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.029 -1.597 5.919 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.489 -1.327 8.089 1.00 0.00 H new ATOM 521 N ILE A 34 -3.749 -5.562 2.495 1.00 0.00 N ATOM 522 CA ILE A 34 -5.032 -5.132 1.863 1.00 0.00 C ATOM 523 C ILE A 34 -5.908 -6.369 1.632 1.00 0.00 C ATOM 524 O ILE A 34 -7.123 -6.295 1.634 1.00 0.00 O ATOM 525 CB ILE A 34 -4.624 -4.503 0.524 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.681 -3.303 0.781 1.00 0.00 C ATOM 527 CG2 ILE A 34 -5.875 -4.072 -0.262 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.463 -2.052 1.199 1.00 0.00 C ATOM 0 H ILE A 34 -2.924 -5.456 1.905 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.598 -4.431 2.477 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.089 -5.238 -0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.965 -3.563 1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.107 -3.090 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.574 -3.627 -1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.503 -4.943 -0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.436 -3.341 0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.769 -1.230 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.161 -1.778 0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.016 -2.258 2.116 1.00 0.00 H new ATOM 540 N ASN A 35 -5.288 -7.510 1.435 1.00 0.00 N ATOM 541 CA ASN A 35 -6.059 -8.770 1.204 1.00 0.00 C ATOM 542 C ASN A 35 -7.018 -9.036 2.370 1.00 0.00 C ATOM 543 O ASN A 35 -8.045 -9.668 2.208 1.00 0.00 O ATOM 544 CB ASN A 35 -5.002 -9.874 1.119 1.00 0.00 C ATOM 545 CG ASN A 35 -5.602 -11.104 0.436 1.00 0.00 C ATOM 546 OD1 ASN A 35 -5.616 -11.194 -0.775 1.00 0.00 O ATOM 547 ND2 ASN A 35 -6.100 -12.063 1.167 1.00 0.00 N ATOM 0 H ASN A 35 -4.274 -7.620 1.425 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.668 -8.715 0.302 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.136 -9.521 0.559 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.652 -10.134 2.118 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.501 -12.888 0.721 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.088 -11.988 2.184 1.00 0.00 H new ATOM 554 N ASP A 36 -6.688 -8.554 3.542 1.00 0.00 N ATOM 555 CA ASP A 36 -7.576 -8.771 4.725 1.00 0.00 C ATOM 556 C ASP A 36 -8.766 -7.810 4.674 1.00 0.00 C ATOM 557 O ASP A 36 -9.910 -8.225 4.700 1.00 0.00 O ATOM 558 CB ASP A 36 -6.699 -8.474 5.943 1.00 0.00 C ATOM 559 CG ASP A 36 -7.375 -9.017 7.203 1.00 0.00 C ATOM 560 OD1 ASP A 36 -8.461 -8.555 7.516 1.00 0.00 O ATOM 561 OD2 ASP A 36 -6.797 -9.886 7.835 1.00 0.00 O ATOM 0 H ASP A 36 -5.841 -8.019 3.731 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.983 -9.782 4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.718 -8.932 5.818 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.540 -7.400 6.037 1.00 0.00 H new ATOM 566 N ASN A 37 -8.503 -6.529 4.600 1.00 0.00 N ATOM 567 CA ASN A 37 -9.617 -5.532 4.544 1.00 0.00 C ATOM 568 C ASN A 37 -10.469 -5.766 3.294 1.00 0.00 C ATOM 569 O ASN A 37 -11.655 -5.495 3.281 1.00 0.00 O ATOM 570 CB ASN A 37 -8.935 -4.163 4.480 1.00 0.00 C ATOM 571 CG ASN A 37 -8.304 -3.843 5.837 1.00 0.00 C ATOM 572 OD1 ASN A 37 -8.838 -4.202 6.868 1.00 0.00 O ATOM 573 ND2 ASN A 37 -7.182 -3.179 5.880 1.00 0.00 N ATOM 0 H ASN A 37 -7.565 -6.130 4.576 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.281 -5.611 5.405 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.171 -4.161 3.702 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.662 -3.395 4.215 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.753 -2.961 6.779 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.734 -2.878 5.014 1.00 0.00 H new ATOM 580 N GLY A 38 -9.868 -6.269 2.245 1.00 0.00 N ATOM 581 CA GLY A 38 -10.632 -6.528 0.990 1.00 0.00 C ATOM 582 C GLY A 38 -10.748 -5.235 0.181 1.00 0.00 C ATOM 583 O GLY A 38 -11.761 -4.974 -0.442 1.00 0.00 O ATOM 0 H GLY A 38 -8.878 -6.512 2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.130 -7.294 0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.625 -6.909 1.229 1.00 0.00 H new ATOM 587 N ILE A 39 -9.719 -4.426 0.184 1.00 0.00 N ATOM 588 CA ILE A 39 -9.765 -3.146 -0.587 1.00 0.00 C ATOM 589 C ILE A 39 -8.695 -3.154 -1.684 1.00 0.00 C ATOM 590 O ILE A 39 -7.683 -2.487 -1.581 1.00 0.00 O ATOM 591 CB ILE A 39 -9.481 -2.042 0.441 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.526 -2.091 1.571 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.535 -0.672 -0.244 1.00 0.00 C ATOM 594 CD1 ILE A 39 -11.938 -1.902 1.002 1.00 0.00 C ATOM 0 H ILE A 39 -8.848 -4.596 0.687 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.725 -2.997 -1.080 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.489 -2.200 0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.462 -3.046 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.315 -1.312 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.333 0.109 0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.786 -0.631 -1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.525 -0.519 -0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.665 -1.939 1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -12.002 -0.936 0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.151 -2.696 0.287 1.00 0.00 H new ATOM 606 N ASP A 40 -8.917 -3.905 -2.732 1.00 0.00 N ATOM 607 CA ASP A 40 -7.923 -3.963 -3.845 1.00 0.00 C ATOM 608 C ASP A 40 -8.547 -3.420 -5.132 1.00 0.00 C ATOM 609 O ASP A 40 -9.238 -4.128 -5.841 1.00 0.00 O ATOM 610 CB ASP A 40 -7.583 -5.446 -3.997 1.00 0.00 C ATOM 611 CG ASP A 40 -6.925 -5.953 -2.713 1.00 0.00 C ATOM 612 OD1 ASP A 40 -7.650 -6.355 -1.818 1.00 0.00 O ATOM 613 OD2 ASP A 40 -5.707 -5.931 -2.646 1.00 0.00 O ATOM 0 H ASP A 40 -9.747 -4.483 -2.865 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.036 -3.363 -3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.487 -6.018 -4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.912 -5.591 -4.844 1.00 0.00 H new ATOM 618 N GLY A 41 -8.314 -2.168 -5.434 1.00 0.00 N ATOM 619 CA GLY A 41 -8.897 -1.570 -6.670 1.00 0.00 C ATOM 620 C GLY A 41 -7.786 -0.960 -7.526 1.00 0.00 C ATOM 621 O GLY A 41 -7.252 -1.601 -8.411 1.00 0.00 O ATOM 0 H GLY A 41 -7.743 -1.534 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.428 -2.333 -7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.626 -0.804 -6.405 1.00 0.00 H new ATOM 625 N GLU A 42 -7.440 0.278 -7.274 1.00 0.00 N ATOM 626 CA GLU A 42 -6.368 0.940 -8.078 1.00 0.00 C ATOM 627 C GLU A 42 -5.341 1.608 -7.161 1.00 0.00 C ATOM 628 O GLU A 42 -5.669 2.483 -6.382 1.00 0.00 O ATOM 629 CB GLU A 42 -7.097 1.993 -8.920 1.00 0.00 C ATOM 630 CG GLU A 42 -7.198 1.517 -10.372 1.00 0.00 C ATOM 631 CD GLU A 42 -8.520 1.995 -10.977 1.00 0.00 C ATOM 632 OE1 GLU A 42 -9.557 1.613 -10.461 1.00 0.00 O ATOM 633 OE2 GLU A 42 -8.472 2.735 -11.945 1.00 0.00 O ATOM 0 H GLU A 42 -7.854 0.859 -6.545 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.821 0.226 -8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.094 2.169 -8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.562 2.942 -8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.360 1.904 -10.952 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.139 0.429 -10.414 1.00 0.00 H new ATOM 640 N TRP A 43 -4.100 1.204 -7.258 1.00 0.00 N ATOM 641 CA TRP A 43 -3.041 1.816 -6.404 1.00 0.00 C ATOM 642 C TRP A 43 -2.302 2.894 -7.198 1.00 0.00 C ATOM 643 O TRP A 43 -2.370 2.937 -8.412 1.00 0.00 O ATOM 644 CB TRP A 43 -2.063 0.684 -6.071 1.00 0.00 C ATOM 645 CG TRP A 43 -2.662 -0.318 -5.130 1.00 0.00 C ATOM 646 CD1 TRP A 43 -3.973 -0.658 -5.031 1.00 0.00 C ATOM 647 CD2 TRP A 43 -1.962 -1.130 -4.152 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.105 -1.642 -4.072 1.00 0.00 N ATOM 649 CE2 TRP A 43 -2.896 -1.958 -3.494 1.00 0.00 C ATOM 650 CE3 TRP A 43 -0.614 -1.223 -3.781 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -2.507 -2.850 -2.501 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -0.215 -2.118 -2.776 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.160 -2.929 -2.137 1.00 0.00 C ATOM 0 H TRP A 43 -3.775 0.475 -7.893 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.463 2.271 -5.508 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.762 0.183 -6.991 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.160 1.104 -5.627 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.779 -0.229 -5.608 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.991 -2.082 -3.822 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.122 -0.603 -4.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.240 -3.477 -2.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.826 -2.181 -2.495 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.849 -3.615 -1.363 1.00 0.00 H new ATOM 664 N THR A 44 -1.576 3.745 -6.523 1.00 0.00 N ATOM 665 CA THR A 44 -0.802 4.805 -7.233 1.00 0.00 C ATOM 666 C THR A 44 0.469 5.118 -6.446 1.00 0.00 C ATOM 667 O THR A 44 0.432 5.328 -5.248 1.00 0.00 O ATOM 668 CB THR A 44 -1.713 6.032 -7.298 1.00 0.00 C ATOM 669 OG1 THR A 44 -2.014 6.472 -5.983 1.00 0.00 O ATOM 670 CG2 THR A 44 -3.009 5.679 -8.033 1.00 0.00 C ATOM 0 H THR A 44 -1.485 3.752 -5.507 1.00 0.00 H new ATOM 0 HA THR A 44 -0.504 4.492 -8.234 1.00 0.00 H new ATOM 0 HB THR A 44 -1.202 6.829 -7.838 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.354 6.108 -5.357 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.654 6.557 -8.076 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.775 5.351 -9.046 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.522 4.878 -7.501 1.00 0.00 H new ATOM 678 N TYR A 45 1.591 5.140 -7.111 1.00 0.00 N ATOM 679 CA TYR A 45 2.877 5.427 -6.411 1.00 0.00 C ATOM 680 C TYR A 45 3.128 6.941 -6.378 1.00 0.00 C ATOM 681 O TYR A 45 2.524 7.691 -7.121 1.00 0.00 O ATOM 682 CB TYR A 45 3.946 4.719 -7.250 1.00 0.00 C ATOM 683 CG TYR A 45 5.309 4.933 -6.634 1.00 0.00 C ATOM 684 CD1 TYR A 45 5.553 4.532 -5.316 1.00 0.00 C ATOM 685 CD2 TYR A 45 6.328 5.534 -7.382 1.00 0.00 C ATOM 686 CE1 TYR A 45 6.815 4.731 -4.745 1.00 0.00 C ATOM 687 CE2 TYR A 45 7.591 5.733 -6.813 1.00 0.00 C ATOM 688 CZ TYR A 45 7.835 5.332 -5.494 1.00 0.00 C ATOM 689 OH TYR A 45 9.080 5.528 -4.932 1.00 0.00 O ATOM 0 H TYR A 45 1.674 4.971 -8.113 1.00 0.00 H new ATOM 0 HA TYR A 45 2.878 5.082 -5.377 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.727 3.653 -7.309 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.934 5.104 -8.270 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.767 4.068 -4.739 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.139 5.844 -8.399 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.003 4.421 -3.727 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.377 6.196 -7.391 1.00 0.00 H new ATOM 0 HH TYR A 45 9.671 5.955 -5.587 1.00 0.00 H new ATOM 699 N ASP A 46 4.021 7.391 -5.530 1.00 0.00 N ATOM 700 CA ASP A 46 4.318 8.857 -5.458 1.00 0.00 C ATOM 701 C ASP A 46 5.826 9.081 -5.324 1.00 0.00 C ATOM 702 O ASP A 46 6.471 8.511 -4.465 1.00 0.00 O ATOM 703 CB ASP A 46 3.595 9.376 -4.208 1.00 0.00 C ATOM 704 CG ASP A 46 2.105 9.022 -4.277 1.00 0.00 C ATOM 705 OD1 ASP A 46 1.754 7.935 -3.846 1.00 0.00 O ATOM 706 OD2 ASP A 46 1.343 9.844 -4.758 1.00 0.00 O ATOM 0 H ASP A 46 4.556 6.809 -4.886 1.00 0.00 H new ATOM 0 HA ASP A 46 3.986 9.377 -6.356 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.040 8.940 -3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.717 10.456 -4.130 1.00 0.00 H new ATOM 711 N ASP A 47 6.386 9.914 -6.164 1.00 0.00 N ATOM 712 CA ASP A 47 7.855 10.188 -6.086 1.00 0.00 C ATOM 713 C ASP A 47 8.186 11.064 -4.865 1.00 0.00 C ATOM 714 O ASP A 47 9.340 11.295 -4.559 1.00 0.00 O ATOM 715 CB ASP A 47 8.200 10.923 -7.388 1.00 0.00 C ATOM 716 CG ASP A 47 7.380 12.213 -7.495 1.00 0.00 C ATOM 717 OD1 ASP A 47 7.761 13.188 -6.869 1.00 0.00 O ATOM 718 OD2 ASP A 47 6.386 12.202 -8.202 1.00 0.00 O ATOM 0 H ASP A 47 5.891 10.417 -6.901 1.00 0.00 H new ATOM 0 HA ASP A 47 8.430 9.269 -5.972 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.265 11.156 -7.413 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.995 10.280 -8.244 1.00 0.00 H new ATOM 723 N ALA A 48 7.185 11.553 -4.164 1.00 0.00 N ATOM 724 CA ALA A 48 7.446 12.412 -2.964 1.00 0.00 C ATOM 725 C ALA A 48 8.328 11.670 -1.954 1.00 0.00 C ATOM 726 O ALA A 48 9.485 11.995 -1.768 1.00 0.00 O ATOM 727 CB ALA A 48 6.063 12.681 -2.363 1.00 0.00 C ATOM 0 H ALA A 48 6.200 11.393 -4.373 1.00 0.00 H new ATOM 0 HA ALA A 48 7.969 13.332 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.167 13.306 -1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.441 13.193 -3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.596 11.736 -2.087 1.00 0.00 H new ATOM 733 N THR A 49 7.782 10.675 -1.306 1.00 0.00 N ATOM 734 CA THR A 49 8.569 9.897 -0.304 1.00 0.00 C ATOM 735 C THR A 49 8.339 8.399 -0.520 1.00 0.00 C ATOM 736 O THR A 49 8.232 7.636 0.420 1.00 0.00 O ATOM 737 CB THR A 49 8.020 10.337 1.058 1.00 0.00 C ATOM 738 OG1 THR A 49 8.712 9.649 2.090 1.00 0.00 O ATOM 739 CG2 THR A 49 6.523 10.016 1.143 1.00 0.00 C ATOM 0 H THR A 49 6.818 10.366 -1.429 1.00 0.00 H new ATOM 0 HA THR A 49 9.642 10.073 -0.383 1.00 0.00 H new ATOM 0 HB THR A 49 8.163 11.411 1.175 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.796 8.702 1.852 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.138 10.331 2.113 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.992 10.546 0.352 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.374 8.943 1.024 1.00 0.00 H new ATOM 747 N LYS A 50 8.244 7.981 -1.758 1.00 0.00 N ATOM 748 CA LYS A 50 7.998 6.535 -2.066 1.00 0.00 C ATOM 749 C LYS A 50 6.722 6.054 -1.370 1.00 0.00 C ATOM 750 O LYS A 50 6.715 5.041 -0.695 1.00 0.00 O ATOM 751 CB LYS A 50 9.225 5.772 -1.546 1.00 0.00 C ATOM 752 CG LYS A 50 10.497 6.311 -2.215 1.00 0.00 C ATOM 753 CD LYS A 50 11.609 6.456 -1.171 1.00 0.00 C ATOM 754 CE LYS A 50 11.998 5.074 -0.641 1.00 0.00 C ATOM 755 NZ LYS A 50 12.258 5.278 0.811 1.00 0.00 N ATOM 0 H LYS A 50 8.327 8.584 -2.577 1.00 0.00 H new ATOM 0 HA LYS A 50 7.859 6.371 -3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.299 5.879 -0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.117 4.707 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.816 5.635 -3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.294 7.276 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.477 6.944 -1.615 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.271 7.090 -0.351 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.199 4.350 -0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.882 4.690 -1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.531 4.373 1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.028 5.966 0.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.397 5.637 1.271 1.00 0.00 H new ATOM 769 N THR A 51 5.642 6.777 -1.534 1.00 0.00 N ATOM 770 CA THR A 51 4.355 6.374 -0.889 1.00 0.00 C ATOM 771 C THR A 51 3.537 5.517 -1.856 1.00 0.00 C ATOM 772 O THR A 51 4.028 5.084 -2.881 1.00 0.00 O ATOM 773 CB THR A 51 3.612 7.683 -0.575 1.00 0.00 C ATOM 774 OG1 THR A 51 4.544 8.737 -0.364 1.00 0.00 O ATOM 775 CG2 THR A 51 2.757 7.507 0.684 1.00 0.00 C ATOM 0 H THR A 51 5.597 7.632 -2.089 1.00 0.00 H new ATOM 0 HA THR A 51 4.520 5.785 0.013 1.00 0.00 H new ATOM 0 HB THR A 51 2.971 7.932 -1.421 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.111 9.462 0.133 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.233 8.438 0.901 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.030 6.711 0.522 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.398 7.247 1.526 1.00 0.00 H new ATOM 783 N TRP A 52 2.294 5.267 -1.533 1.00 0.00 N ATOM 784 CA TRP A 52 1.438 4.432 -2.424 1.00 0.00 C ATOM 785 C TRP A 52 -0.043 4.733 -2.185 1.00 0.00 C ATOM 786 O TRP A 52 -0.395 5.628 -1.441 1.00 0.00 O ATOM 787 CB TRP A 52 1.730 2.996 -2.015 1.00 0.00 C ATOM 788 CG TRP A 52 2.983 2.514 -2.662 1.00 0.00 C ATOM 789 CD1 TRP A 52 4.200 2.465 -2.077 1.00 0.00 C ATOM 790 CD2 TRP A 52 3.151 1.996 -4.004 1.00 0.00 C ATOM 791 NE1 TRP A 52 5.111 1.959 -2.990 1.00 0.00 N ATOM 792 CE2 TRP A 52 4.508 1.654 -4.195 1.00 0.00 C ATOM 793 CE3 TRP A 52 2.258 1.801 -5.061 1.00 0.00 C ATOM 794 CZ2 TRP A 52 4.963 1.131 -5.407 1.00 0.00 C ATOM 795 CZ3 TRP A 52 2.706 1.274 -6.283 1.00 0.00 C ATOM 796 CH2 TRP A 52 4.058 0.940 -6.456 1.00 0.00 C ATOM 0 H TRP A 52 1.835 5.607 -0.688 1.00 0.00 H new ATOM 0 HA TRP A 52 1.646 4.625 -3.476 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.826 2.933 -0.931 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.896 2.354 -2.299 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.425 2.770 -1.066 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.104 1.828 -2.796 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.216 2.057 -4.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.005 0.876 -5.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.007 1.125 -7.093 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.399 0.536 -7.398 1.00 0.00 H new ATOM 807 N THR A 53 -0.912 3.972 -2.806 1.00 0.00 N ATOM 808 CA THR A 53 -2.378 4.185 -2.617 1.00 0.00 C ATOM 809 C THR A 53 -3.145 2.899 -2.949 1.00 0.00 C ATOM 810 O THR A 53 -2.579 1.933 -3.423 1.00 0.00 O ATOM 811 CB THR A 53 -2.754 5.303 -3.592 1.00 0.00 C ATOM 812 OG1 THR A 53 -1.791 6.345 -3.517 1.00 0.00 O ATOM 813 CG2 THR A 53 -4.132 5.859 -3.230 1.00 0.00 C ATOM 0 H THR A 53 -0.666 3.210 -3.438 1.00 0.00 H new ATOM 0 HA THR A 53 -2.625 4.448 -1.589 1.00 0.00 H new ATOM 0 HB THR A 53 -2.779 4.902 -4.605 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.928 6.971 -4.258 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.397 6.655 -3.926 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.873 5.062 -3.290 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.109 6.257 -2.215 1.00 0.00 H new ATOM 821 N VAL A 54 -4.429 2.882 -2.690 1.00 0.00 N ATOM 822 CA VAL A 54 -5.250 1.660 -2.974 1.00 0.00 C ATOM 823 C VAL A 54 -6.741 1.990 -2.808 1.00 0.00 C ATOM 824 O VAL A 54 -7.328 1.752 -1.769 1.00 0.00 O ATOM 825 CB VAL A 54 -4.781 0.602 -1.947 1.00 0.00 C ATOM 826 CG1 VAL A 54 -4.791 1.194 -0.540 1.00 0.00 C ATOM 827 CG2 VAL A 54 -5.703 -0.626 -1.971 1.00 0.00 C ATOM 0 H VAL A 54 -4.948 3.665 -2.292 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.123 1.293 -3.993 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.769 0.300 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.459 0.440 0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.119 2.051 -0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.802 1.514 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.355 -1.357 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.720 -0.322 -1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.690 -1.072 -2.966 1.00 0.00 H new ATOM 837 N THR A 55 -7.349 2.534 -3.831 1.00 0.00 N ATOM 838 CA THR A 55 -8.799 2.883 -3.752 1.00 0.00 C ATOM 839 C THR A 55 -9.654 1.696 -4.203 1.00 0.00 C ATOM 840 O THR A 55 -9.415 1.110 -5.241 1.00 0.00 O ATOM 841 CB THR A 55 -8.974 4.062 -4.711 1.00 0.00 C ATOM 842 OG1 THR A 55 -7.889 4.966 -4.551 1.00 0.00 O ATOM 843 CG2 THR A 55 -10.289 4.780 -4.405 1.00 0.00 C ATOM 0 H THR A 55 -6.901 2.752 -4.721 1.00 0.00 H new ATOM 0 HA THR A 55 -9.109 3.131 -2.737 1.00 0.00 H new ATOM 0 HB THR A 55 -8.994 3.696 -5.738 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.999 5.721 -5.166 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.413 5.620 -5.089 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.120 4.086 -4.529 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.273 5.147 -3.379 1.00 0.00 H new ATOM 851 N GLU A 56 -10.649 1.340 -3.429 1.00 0.00 N ATOM 852 CA GLU A 56 -11.525 0.188 -3.810 1.00 0.00 C ATOM 853 C GLU A 56 -12.304 0.517 -5.086 1.00 0.00 C ATOM 854 O GLU A 56 -12.469 1.692 -5.369 1.00 0.00 O ATOM 855 CB GLU A 56 -12.482 -0.001 -2.631 1.00 0.00 C ATOM 856 CG GLU A 56 -12.937 -1.460 -2.571 1.00 0.00 C ATOM 857 CD GLU A 56 -14.164 -1.575 -1.664 1.00 0.00 C ATOM 858 OE1 GLU A 56 -15.070 -0.773 -1.821 1.00 0.00 O ATOM 859 OE2 GLU A 56 -14.177 -2.464 -0.828 1.00 0.00 O ATOM 860 OXT GLU A 56 -12.723 -0.411 -5.757 1.00 0.00 O ATOM 0 H GLU A 56 -10.893 1.797 -2.550 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.949 -0.715 -4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.987 0.275 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.345 0.656 -2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.177 -1.819 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.131 -2.088 -2.192 1.00 0.00 H new TER 867 GLU A 56