USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 426 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 9 ASN :FLIP amide:sc= 0.464 F(o=-3.4,f=0.46) USER MOD Set 1.2: A 56 THR OG1 : rot -94:sc=-0.00195 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0.00279 USER MOD Set 2.2: A 52 THR OG1 : rot 94:sc= -0.222 USER MOD Set 3.1: A 45 THR OG1 : rot -10:sc= -0.625 USER MOD Set 3.2: A 54 THR OG1 : rot 155:sc= 0.31 USER MOD Single : A 2 THR OG1 : rot 24:sc= 0.321 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 5 LYS NZ :NH3+ 143:sc= 0.253 (180deg=0.0032) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 159:sc= 1.19 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 29:sc= 0.506 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -109:sc= -0.157 (180deg=-0.646) USER MOD Single : A 33 GLN : amide:sc= -0.0444 X(o=-0.044,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.00044) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.895 USER MOD Single : A 51 LYS NZ :NH3+ -150:sc= 0.0385 (180deg=-0.351) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -2.484 -12.647 5.444 1.00 0.00 N ATOM 21 CA THR A 2 -2.850 -11.578 4.467 1.00 0.00 C ATOM 22 C THR A 2 -1.948 -10.356 4.660 1.00 0.00 C ATOM 23 O THR A 2 -2.369 -9.229 4.479 1.00 0.00 O ATOM 24 CB THR A 2 -4.305 -11.231 4.788 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.088 -12.417 4.762 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.841 -10.240 3.752 1.00 0.00 C ATOM 0 HA THR A 2 -2.728 -11.901 3.433 1.00 0.00 H new ATOM 0 HB THR A 2 -4.360 -10.778 5.778 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.513 -13.192 4.930 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.878 -9.996 3.984 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.240 -9.331 3.773 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.787 -10.687 2.759 1.00 0.00 H new ATOM 34 N THR A 3 -0.708 -10.574 5.024 1.00 0.00 N ATOM 35 CA THR A 3 0.230 -9.428 5.228 1.00 0.00 C ATOM 36 C THR A 3 0.554 -8.769 3.886 1.00 0.00 C ATOM 37 O THR A 3 1.299 -9.306 3.087 1.00 0.00 O ATOM 38 CB THR A 3 1.490 -10.035 5.845 1.00 0.00 C ATOM 39 OG1 THR A 3 1.121 -11.008 6.813 1.00 0.00 O ATOM 40 CG2 THR A 3 2.312 -8.933 6.514 1.00 0.00 C ATOM 0 H THR A 3 -0.305 -11.497 5.189 1.00 0.00 H new ATOM 0 HA THR A 3 -0.199 -8.658 5.869 1.00 0.00 H new ATOM 0 HB THR A 3 2.086 -10.508 5.065 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.928 -11.399 7.208 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.211 -9.366 6.954 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.595 -8.188 5.771 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.718 -8.459 7.295 1.00 0.00 H new ATOM 48 N PHE A 4 -0.004 -7.614 3.635 1.00 0.00 N ATOM 49 CA PHE A 4 0.262 -6.912 2.345 1.00 0.00 C ATOM 50 C PHE A 4 1.499 -6.024 2.466 1.00 0.00 C ATOM 51 O PHE A 4 1.705 -5.367 3.469 1.00 0.00 O ATOM 52 CB PHE A 4 -0.978 -6.054 2.097 1.00 0.00 C ATOM 53 CG PHE A 4 -2.104 -6.929 1.605 1.00 0.00 C ATOM 54 CD1 PHE A 4 -2.008 -7.550 0.356 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.239 -7.121 2.399 1.00 0.00 C ATOM 56 CE1 PHE A 4 -3.049 -8.366 -0.099 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.279 -7.937 1.944 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.184 -8.560 0.694 1.00 0.00 C ATOM 0 H PHE A 4 -0.635 -7.125 4.270 1.00 0.00 H new ATOM 0 HA PHE A 4 0.449 -7.613 1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.272 -5.547 3.016 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.757 -5.280 1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.131 -7.400 -0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.312 -6.639 3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.976 -8.846 -1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.156 -8.087 2.557 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.987 -9.190 0.342 1.00 0.00 H new ATOM 68 N LYS A 5 2.312 -5.987 1.443 1.00 0.00 N ATOM 69 CA LYS A 5 3.529 -5.127 1.480 1.00 0.00 C ATOM 70 C LYS A 5 3.294 -3.894 0.604 1.00 0.00 C ATOM 71 O LYS A 5 2.208 -3.698 0.089 1.00 0.00 O ATOM 72 CB LYS A 5 4.658 -5.988 0.905 1.00 0.00 C ATOM 73 CG LYS A 5 4.833 -7.255 1.752 1.00 0.00 C ATOM 74 CD LYS A 5 4.228 -8.456 1.019 1.00 0.00 C ATOM 75 CE LYS A 5 4.771 -9.752 1.627 1.00 0.00 C ATOM 76 NZ LYS A 5 4.059 -10.842 0.904 1.00 0.00 N ATOM 0 H LYS A 5 2.184 -6.517 0.581 1.00 0.00 H new ATOM 0 HA LYS A 5 3.770 -4.782 2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.432 -6.258 -0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.588 -5.420 0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.891 -7.431 1.946 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.349 -7.126 2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.141 -8.433 1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.473 -8.409 -0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.850 -9.829 1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.578 -9.797 2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.708 -11.640 0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.246 -11.160 1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.725 -10.488 -0.015 1.00 0.00 H new ATOM 90 N LEU A 6 4.292 -3.065 0.425 1.00 0.00 N ATOM 91 CA LEU A 6 4.101 -1.852 -0.424 1.00 0.00 C ATOM 92 C LEU A 6 5.451 -1.302 -0.870 1.00 0.00 C ATOM 93 O LEU A 6 6.189 -0.754 -0.076 1.00 0.00 O ATOM 94 CB LEU A 6 3.381 -0.843 0.483 1.00 0.00 C ATOM 95 CG LEU A 6 3.173 0.489 -0.257 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.869 0.440 -1.052 1.00 0.00 C ATOM 97 CD2 LEU A 6 3.108 1.633 0.760 1.00 0.00 C ATOM 0 H LEU A 6 5.223 -3.175 0.827 1.00 0.00 H new ATOM 0 HA LEU A 6 3.532 -2.066 -1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.418 -1.247 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.965 -0.676 1.388 1.00 0.00 H new ATOM 0 HG LEU A 6 4.005 0.655 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.726 1.386 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.916 -0.372 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.034 0.271 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.961 2.577 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.277 1.464 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.040 1.672 1.324 1.00 0.00 H new ATOM 109 N ILE A 7 5.762 -1.409 -2.137 1.00 0.00 N ATOM 110 CA ILE A 7 7.050 -0.852 -2.626 1.00 0.00 C ATOM 111 C ILE A 7 6.789 0.521 -3.226 1.00 0.00 C ATOM 112 O ILE A 7 5.857 0.700 -3.991 1.00 0.00 O ATOM 113 CB ILE A 7 7.570 -1.811 -3.695 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.725 -3.215 -3.102 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.935 -1.305 -4.181 1.00 0.00 C ATOM 116 CD1 ILE A 7 8.106 -4.201 -4.208 1.00 0.00 C ATOM 0 H ILE A 7 5.181 -1.856 -2.847 1.00 0.00 H new ATOM 0 HA ILE A 7 7.781 -0.747 -1.824 1.00 0.00 H new ATOM 0 HB ILE A 7 6.868 -1.855 -4.527 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.490 -3.210 -2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.793 -3.526 -2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.322 -1.979 -4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.824 -0.305 -4.601 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.630 -1.271 -3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.216 -5.199 -3.784 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.325 -4.214 -4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.049 -3.894 -4.661 1.00 0.00 H new ATOM 128 N ILE A 8 7.588 1.493 -2.886 1.00 0.00 N ATOM 129 CA ILE A 8 7.358 2.856 -3.446 1.00 0.00 C ATOM 130 C ILE A 8 8.085 3.000 -4.784 1.00 0.00 C ATOM 131 O ILE A 8 9.298 3.101 -4.828 1.00 0.00 O ATOM 132 CB ILE A 8 7.917 3.863 -2.441 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.462 3.517 -1.010 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.413 5.256 -2.828 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.937 3.596 -0.887 1.00 0.00 C ATOM 0 H ILE A 8 8.382 1.406 -2.252 1.00 0.00 H new ATOM 0 HA ILE A 8 6.295 3.028 -3.615 1.00 0.00 H new ATOM 0 HB ILE A 8 9.006 3.834 -2.461 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.800 2.514 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.924 4.204 -0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.800 5.992 -2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.756 5.501 -3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.323 5.268 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.641 3.348 0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.605 4.606 -1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.479 2.890 -1.580 1.00 0.00 H new ATOM 147 N ASN A 9 7.357 3.015 -5.869 1.00 0.00 N ATOM 148 CA ASN A 9 8.009 3.159 -7.205 1.00 0.00 C ATOM 149 C ASN A 9 8.443 4.611 -7.415 1.00 0.00 C ATOM 150 O ASN A 9 7.926 5.311 -8.266 1.00 0.00 O ATOM 151 CB ASN A 9 6.941 2.756 -8.221 1.00 0.00 C ATOM 152 CG ASN A 9 7.539 2.779 -9.630 1.00 0.00 C ATOM 153 OD1 ASN A 9 7.452 3.866 -10.349 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 8.096 1.798 -10.081 1.00 0.00 N flip ATOM 0 H ASN A 9 6.340 2.934 -5.889 1.00 0.00 H new ATOM 0 HA ASN A 9 8.902 2.542 -7.302 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.564 1.760 -7.991 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.093 3.439 -8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.165 0.948 -9.521 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.495 1.824 -11.020 1.00 0.00 H new ATOM 161 N GLY A 10 9.389 5.064 -6.637 1.00 0.00 N ATOM 162 CA GLY A 10 9.870 6.468 -6.773 1.00 0.00 C ATOM 163 C GLY A 10 11.176 6.629 -5.994 1.00 0.00 C ATOM 164 O GLY A 10 12.055 5.790 -6.062 1.00 0.00 O ATOM 0 H GLY A 10 9.851 4.519 -5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.027 6.711 -7.824 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.119 7.161 -6.394 1.00 0.00 H new ATOM 168 N LYS A 11 11.310 7.702 -5.257 1.00 0.00 N ATOM 169 CA LYS A 11 12.561 7.925 -4.468 1.00 0.00 C ATOM 170 C LYS A 11 12.389 9.123 -3.529 1.00 0.00 C ATOM 171 O LYS A 11 13.213 10.020 -3.501 1.00 0.00 O ATOM 172 CB LYS A 11 13.657 8.204 -5.507 1.00 0.00 C ATOM 173 CG LYS A 11 13.282 9.424 -6.358 1.00 0.00 C ATOM 174 CD LYS A 11 13.967 9.323 -7.721 1.00 0.00 C ATOM 175 CE LYS A 11 15.472 9.549 -7.556 1.00 0.00 C ATOM 176 NZ LYS A 11 15.867 10.373 -8.732 1.00 0.00 N ATOM 0 H LYS A 11 10.606 8.435 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 11 12.809 7.066 -3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.608 8.380 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.792 7.332 -6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.201 9.474 -6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.586 10.341 -5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.782 8.343 -8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.550 10.063 -8.405 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.694 10.063 -6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.014 8.603 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.887 10.570 -8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.650 9.855 -9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.340 11.270 -8.720 1.00 0.00 H new ATOM 190 N THR A 12 11.328 9.144 -2.762 1.00 0.00 N ATOM 191 CA THR A 12 11.105 10.285 -1.824 1.00 0.00 C ATOM 192 C THR A 12 10.553 9.793 -0.486 1.00 0.00 C ATOM 193 O THR A 12 9.924 10.536 0.242 1.00 0.00 O ATOM 194 CB THR A 12 10.092 11.187 -2.531 1.00 0.00 C ATOM 195 OG1 THR A 12 10.588 11.534 -3.817 1.00 0.00 O ATOM 196 CG2 THR A 12 9.872 12.457 -1.708 1.00 0.00 C ATOM 0 H THR A 12 10.608 8.422 -2.745 1.00 0.00 H new ATOM 0 HA THR A 12 12.032 10.811 -1.596 1.00 0.00 H new ATOM 0 HB THR A 12 9.145 10.658 -2.635 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.843 11.806 -4.393 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.150 13.098 -2.214 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.492 12.190 -0.722 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.817 12.989 -1.601 1.00 0.00 H new ATOM 204 N LEU A 13 10.794 8.549 -0.151 1.00 0.00 N ATOM 205 CA LEU A 13 10.292 8.002 1.152 1.00 0.00 C ATOM 206 C LEU A 13 10.746 6.545 1.352 1.00 0.00 C ATOM 207 O LEU A 13 10.951 6.119 2.468 1.00 0.00 O ATOM 208 CB LEU A 13 8.750 8.094 1.108 1.00 0.00 C ATOM 209 CG LEU A 13 8.210 7.474 -0.181 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.913 6.711 0.121 1.00 0.00 C ATOM 211 CD2 LEU A 13 7.929 8.573 -1.209 1.00 0.00 C ATOM 0 H LEU A 13 11.317 7.886 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 13 10.694 8.572 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.325 7.581 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.441 9.137 1.174 1.00 0.00 H new ATOM 0 HG LEU A 13 8.952 6.786 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.528 6.269 -0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.115 5.922 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.173 7.399 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.545 8.125 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.191 9.267 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.851 9.111 -1.428 1.00 0.00 H new ATOM 223 N LYS A 14 10.912 5.784 0.285 1.00 0.00 N ATOM 224 CA LYS A 14 11.356 4.350 0.414 1.00 0.00 C ATOM 225 C LYS A 14 10.410 3.569 1.334 1.00 0.00 C ATOM 226 O LYS A 14 10.381 3.783 2.531 1.00 0.00 O ATOM 227 CB LYS A 14 12.768 4.403 1.009 1.00 0.00 C ATOM 228 CG LYS A 14 13.792 4.580 -0.114 1.00 0.00 C ATOM 229 CD LYS A 14 15.077 5.187 0.457 1.00 0.00 C ATOM 230 CE LYS A 14 14.796 6.606 0.957 1.00 0.00 C ATOM 231 NZ LYS A 14 16.132 7.264 1.014 1.00 0.00 N ATOM 0 H LYS A 14 10.758 6.098 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 14 11.346 3.841 -0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.844 5.228 1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.975 3.487 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.007 3.618 -0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.386 5.227 -0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.451 4.570 1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.853 5.207 -0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.123 7.136 0.283 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.320 6.592 1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.023 8.243 1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.749 6.741 1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.558 7.268 0.065 1.00 0.00 H new ATOM 245 N GLY A 15 9.635 2.657 0.791 1.00 0.00 N ATOM 246 CA GLY A 15 8.699 1.882 1.656 1.00 0.00 C ATOM 247 C GLY A 15 8.562 0.455 1.139 1.00 0.00 C ATOM 248 O GLY A 15 8.442 0.229 -0.045 1.00 0.00 O ATOM 0 H GLY A 15 9.613 2.421 -0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.066 1.871 2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.722 2.366 1.672 1.00 0.00 H new ATOM 252 N GLU A 16 8.598 -0.503 2.029 1.00 0.00 N ATOM 253 CA GLU A 16 8.482 -1.934 1.630 1.00 0.00 C ATOM 254 C GLU A 16 8.124 -2.784 2.855 1.00 0.00 C ATOM 255 O GLU A 16 8.465 -3.950 2.930 1.00 0.00 O ATOM 256 CB GLU A 16 9.878 -2.289 1.127 1.00 0.00 C ATOM 257 CG GLU A 16 9.858 -2.460 -0.394 1.00 0.00 C ATOM 258 CD GLU A 16 11.275 -2.291 -0.946 1.00 0.00 C ATOM 259 OE1 GLU A 16 11.673 -1.160 -1.167 1.00 0.00 O ATOM 260 OE2 GLU A 16 11.937 -3.298 -1.139 1.00 0.00 O ATOM 0 H GLU A 16 8.705 -0.349 3.032 1.00 0.00 H new ATOM 0 HA GLU A 16 7.710 -2.110 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.584 -1.506 1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.221 -3.209 1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.470 -3.445 -0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.191 -1.725 -0.844 1.00 0.00 H new ATOM 267 N ILE A 17 7.445 -2.206 3.816 1.00 0.00 N ATOM 268 CA ILE A 17 7.070 -2.974 5.041 1.00 0.00 C ATOM 269 C ILE A 17 5.953 -3.970 4.722 1.00 0.00 C ATOM 270 O ILE A 17 5.599 -4.172 3.577 1.00 0.00 O ATOM 271 CB ILE A 17 6.596 -1.925 6.056 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.415 -1.131 5.482 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.746 -0.965 6.364 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.629 -0.492 6.629 1.00 0.00 C ATOM 0 H ILE A 17 7.135 -1.234 3.803 1.00 0.00 H new ATOM 0 HA ILE A 17 7.906 -3.554 5.431 1.00 0.00 H new ATOM 0 HB ILE A 17 6.278 -2.430 6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.777 -0.361 4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.766 -1.789 4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.413 -0.218 7.085 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.584 -1.523 6.781 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.061 -0.468 5.446 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.789 0.073 6.224 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.256 -1.272 7.293 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.282 0.179 7.188 1.00 0.00 H new ATOM 286 N THR A 18 5.397 -4.590 5.731 1.00 0.00 N ATOM 287 CA THR A 18 4.300 -5.578 5.500 1.00 0.00 C ATOM 288 C THR A 18 3.208 -5.399 6.557 1.00 0.00 C ATOM 289 O THR A 18 3.483 -5.367 7.742 1.00 0.00 O ATOM 290 CB THR A 18 4.963 -6.952 5.636 1.00 0.00 C ATOM 291 OG1 THR A 18 5.502 -7.088 6.943 1.00 0.00 O ATOM 292 CG2 THR A 18 6.086 -7.093 4.602 1.00 0.00 C ATOM 0 H THR A 18 5.656 -4.454 6.708 1.00 0.00 H new ATOM 0 HA THR A 18 3.827 -5.454 4.526 1.00 0.00 H new ATOM 0 HB THR A 18 4.219 -7.729 5.464 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.977 -6.549 7.571 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.554 -8.072 4.704 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.672 -6.991 3.599 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.832 -6.316 4.767 1.00 0.00 H new ATOM 300 N ILE A 19 1.974 -5.283 6.136 1.00 0.00 N ATOM 301 CA ILE A 19 0.860 -5.104 7.121 1.00 0.00 C ATOM 302 C ILE A 19 -0.331 -6.000 6.765 1.00 0.00 C ATOM 303 O ILE A 19 -0.726 -6.099 5.618 1.00 0.00 O ATOM 304 CB ILE A 19 0.469 -3.620 7.040 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.018 -3.274 5.621 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.684 -2.754 7.388 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.548 -3.191 5.607 1.00 0.00 C ATOM 0 H ILE A 19 1.689 -5.304 5.157 1.00 0.00 H new ATOM 0 HA ILE A 19 1.168 -5.383 8.129 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.337 -3.426 7.748 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.410 -2.324 5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.321 -4.032 4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.409 -1.701 7.331 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.020 -2.987 8.399 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.490 -2.957 6.682 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.890 -2.946 4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.967 -4.151 5.909 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.877 -2.417 6.301 1.00 0.00 H new ATOM 319 N GLU A 20 -0.907 -6.647 7.748 1.00 0.00 N ATOM 320 CA GLU A 20 -2.080 -7.535 7.484 1.00 0.00 C ATOM 321 C GLU A 20 -3.368 -6.709 7.459 1.00 0.00 C ATOM 322 O GLU A 20 -3.416 -5.607 7.973 1.00 0.00 O ATOM 323 CB GLU A 20 -2.098 -8.546 8.638 1.00 0.00 C ATOM 324 CG GLU A 20 -2.226 -7.819 9.983 1.00 0.00 C ATOM 325 CD GLU A 20 -2.772 -8.786 11.035 1.00 0.00 C ATOM 326 OE1 GLU A 20 -2.330 -9.924 11.051 1.00 0.00 O ATOM 327 OE2 GLU A 20 -3.623 -8.373 11.806 1.00 0.00 O ATOM 0 H GLU A 20 -0.614 -6.598 8.724 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.007 -8.037 6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.930 -9.238 8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.184 -9.140 8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.255 -7.436 10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.890 -6.961 9.883 1.00 0.00 H new ATOM 334 N ALA A 21 -4.408 -7.233 6.863 1.00 0.00 N ATOM 335 CA ALA A 21 -5.697 -6.482 6.799 1.00 0.00 C ATOM 336 C ALA A 21 -6.814 -7.397 6.295 1.00 0.00 C ATOM 337 O ALA A 21 -6.573 -8.505 5.858 1.00 0.00 O ATOM 338 CB ALA A 21 -5.445 -5.346 5.806 1.00 0.00 C ATOM 0 H ALA A 21 -4.420 -8.150 6.417 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.007 -6.108 7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.349 -4.745 5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.632 -4.718 6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.175 -5.764 4.836 1.00 0.00 H new ATOM 344 N VAL A 22 -8.038 -6.934 6.351 1.00 0.00 N ATOM 345 CA VAL A 22 -9.191 -7.761 5.876 1.00 0.00 C ATOM 346 C VAL A 22 -8.949 -8.242 4.436 1.00 0.00 C ATOM 347 O VAL A 22 -9.303 -9.346 4.069 1.00 0.00 O ATOM 348 CB VAL A 22 -10.409 -6.828 5.948 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.183 -5.596 5.065 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.660 -7.571 5.469 1.00 0.00 C ATOM 0 H VAL A 22 -8.290 -6.012 6.708 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.334 -8.656 6.481 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.546 -6.509 6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.053 -4.942 5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.300 -5.058 5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.035 -5.911 4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.521 -6.905 5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.517 -7.898 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.833 -8.439 6.105 1.00 0.00 H new ATOM 360 N ASP A 23 -8.339 -7.414 3.630 1.00 0.00 N ATOM 361 CA ASP A 23 -8.052 -7.798 2.215 1.00 0.00 C ATOM 362 C ASP A 23 -7.064 -6.800 1.610 1.00 0.00 C ATOM 363 O ASP A 23 -6.727 -5.807 2.228 1.00 0.00 O ATOM 364 CB ASP A 23 -9.402 -7.747 1.486 1.00 0.00 C ATOM 365 CG ASP A 23 -10.056 -6.371 1.660 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.379 -5.378 1.448 1.00 0.00 O ATOM 367 OD2 ASP A 23 -11.226 -6.334 2.003 1.00 0.00 O ATOM 0 H ASP A 23 -8.024 -6.480 3.893 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.605 -8.789 2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.257 -7.956 0.426 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.062 -8.522 1.876 1.00 0.00 H new ATOM 372 N ALA A 24 -6.593 -7.053 0.414 1.00 0.00 N ATOM 373 CA ALA A 24 -5.620 -6.108 -0.216 1.00 0.00 C ATOM 374 C ALA A 24 -6.259 -4.726 -0.373 1.00 0.00 C ATOM 375 O ALA A 24 -5.589 -3.712 -0.304 1.00 0.00 O ATOM 376 CB ALA A 24 -5.287 -6.706 -1.584 1.00 0.00 C ATOM 0 H ALA A 24 -6.838 -7.867 -0.150 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.723 -5.982 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.576 -6.060 -2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.849 -7.695 -1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.198 -6.789 -2.176 1.00 0.00 H new ATOM 382 N ALA A 25 -7.555 -4.679 -0.576 1.00 0.00 N ATOM 383 CA ALA A 25 -8.251 -3.363 -0.731 1.00 0.00 C ATOM 384 C ALA A 25 -7.966 -2.471 0.483 1.00 0.00 C ATOM 385 O ALA A 25 -7.621 -1.312 0.345 1.00 0.00 O ATOM 386 CB ALA A 25 -9.746 -3.695 -0.822 1.00 0.00 C ATOM 0 H ALA A 25 -8.161 -5.497 -0.641 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.910 -2.821 -1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.317 -2.774 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.923 -4.342 -1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.061 -4.206 0.088 1.00 0.00 H new ATOM 392 N GLU A 26 -8.090 -3.014 1.670 1.00 0.00 N ATOM 393 CA GLU A 26 -7.807 -2.210 2.896 1.00 0.00 C ATOM 394 C GLU A 26 -6.318 -1.873 2.938 1.00 0.00 C ATOM 395 O GLU A 26 -5.934 -0.745 3.181 1.00 0.00 O ATOM 396 CB GLU A 26 -8.197 -3.106 4.080 1.00 0.00 C ATOM 397 CG GLU A 26 -9.466 -2.561 4.748 1.00 0.00 C ATOM 398 CD GLU A 26 -9.342 -2.676 6.270 1.00 0.00 C ATOM 399 OE1 GLU A 26 -9.040 -3.760 6.741 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.550 -1.676 6.938 1.00 0.00 O ATOM 0 H GLU A 26 -8.375 -3.978 1.841 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.360 -1.271 2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.366 -4.126 3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.382 -3.144 4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.619 -1.520 4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.337 -3.117 4.402 1.00 0.00 H new ATOM 407 N ALA A 27 -5.473 -2.845 2.681 1.00 0.00 N ATOM 408 CA ALA A 27 -3.994 -2.586 2.681 1.00 0.00 C ATOM 409 C ALA A 27 -3.675 -1.409 1.757 1.00 0.00 C ATOM 410 O ALA A 27 -2.925 -0.517 2.108 1.00 0.00 O ATOM 411 CB ALA A 27 -3.351 -3.863 2.140 1.00 0.00 C ATOM 0 H ALA A 27 -5.742 -3.806 2.471 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.624 -2.338 3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.268 -3.742 2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.607 -4.702 2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.719 -4.057 1.133 1.00 0.00 H new ATOM 417 N GLU A 28 -4.261 -1.394 0.583 1.00 0.00 N ATOM 418 CA GLU A 28 -4.014 -0.267 -0.368 1.00 0.00 C ATOM 419 C GLU A 28 -4.413 1.054 0.295 1.00 0.00 C ATOM 420 O GLU A 28 -3.748 2.053 0.139 1.00 0.00 O ATOM 421 CB GLU A 28 -4.898 -0.552 -1.587 1.00 0.00 C ATOM 422 CG GLU A 28 -4.372 0.231 -2.797 1.00 0.00 C ATOM 423 CD GLU A 28 -5.547 0.654 -3.680 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.450 1.291 -3.164 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.524 0.335 -4.857 1.00 0.00 O ATOM 0 H GLU A 28 -4.899 -2.114 0.244 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.965 -0.187 -0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.901 -1.620 -1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.929 -0.267 -1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.819 1.109 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.677 -0.385 -3.368 1.00 0.00 H new ATOM 432 N LYS A 29 -5.482 1.051 1.057 1.00 0.00 N ATOM 433 CA LYS A 29 -5.908 2.303 1.756 1.00 0.00 C ATOM 434 C LYS A 29 -4.885 2.646 2.841 1.00 0.00 C ATOM 435 O LYS A 29 -4.346 3.740 2.882 1.00 0.00 O ATOM 436 CB LYS A 29 -7.269 1.981 2.380 1.00 0.00 C ATOM 437 CG LYS A 29 -8.296 1.724 1.273 1.00 0.00 C ATOM 438 CD LYS A 29 -9.645 2.327 1.674 1.00 0.00 C ATOM 439 CE LYS A 29 -9.647 3.824 1.362 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.826 4.367 2.092 1.00 0.00 N ATOM 0 H LYS A 29 -6.075 0.238 1.224 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.975 3.157 1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.187 1.105 3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.597 2.809 3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.954 2.164 0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.401 0.653 1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.452 1.831 1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.826 2.166 2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.724 4.298 1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.729 4.004 0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.895 5.391 1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.691 3.902 1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.717 4.187 3.110 1.00 0.00 H new ATOM 454 N ILE A 30 -4.589 1.702 3.706 1.00 0.00 N ATOM 455 CA ILE A 30 -3.573 1.948 4.782 1.00 0.00 C ATOM 456 C ILE A 30 -2.264 2.394 4.125 1.00 0.00 C ATOM 457 O ILE A 30 -1.597 3.300 4.588 1.00 0.00 O ATOM 458 CB ILE A 30 -3.399 0.599 5.496 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.723 0.195 6.156 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.310 0.710 6.575 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.711 -1.308 6.451 1.00 0.00 C ATOM 0 H ILE A 30 -5.007 0.772 3.713 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.874 2.724 5.486 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.105 -0.154 4.764 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.867 0.756 7.079 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.558 0.441 5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.194 -0.251 7.075 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.365 0.994 6.111 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.597 1.467 7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.652 -1.594 6.920 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.587 -1.861 5.520 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.885 -1.540 7.123 1.00 0.00 H new ATOM 473 N PHE A 31 -1.923 1.774 3.026 1.00 0.00 N ATOM 474 CA PHE A 31 -0.688 2.167 2.296 1.00 0.00 C ATOM 475 C PHE A 31 -0.930 3.517 1.620 1.00 0.00 C ATOM 476 O PHE A 31 -0.036 4.332 1.493 1.00 0.00 O ATOM 477 CB PHE A 31 -0.466 1.064 1.255 1.00 0.00 C ATOM 478 CG PHE A 31 0.222 -0.116 1.900 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.384 0.074 2.658 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.302 -1.403 1.733 1.00 0.00 C ATOM 481 CE1 PHE A 31 2.022 -1.022 3.249 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.336 -2.500 2.325 1.00 0.00 C ATOM 483 CZ PHE A 31 1.498 -2.309 3.082 1.00 0.00 C ATOM 0 H PHE A 31 -2.450 1.010 2.603 1.00 0.00 H new ATOM 0 HA PHE A 31 0.181 2.271 2.945 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.421 0.753 0.832 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.139 1.444 0.432 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.788 1.067 2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.198 -1.550 1.148 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.918 -0.875 3.834 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.068 -3.493 2.198 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.990 -3.155 3.537 1.00 0.00 H new ATOM 493 N LYS A 32 -2.151 3.761 1.206 1.00 0.00 N ATOM 494 CA LYS A 32 -2.490 5.057 0.558 1.00 0.00 C ATOM 495 C LYS A 32 -2.708 6.158 1.605 1.00 0.00 C ATOM 496 O LYS A 32 -3.028 7.283 1.266 1.00 0.00 O ATOM 497 CB LYS A 32 -3.777 4.806 -0.222 1.00 0.00 C ATOM 498 CG LYS A 32 -3.435 4.156 -1.561 1.00 0.00 C ATOM 499 CD LYS A 32 -4.708 3.597 -2.201 1.00 0.00 C ATOM 500 CE LYS A 32 -5.599 4.751 -2.667 1.00 0.00 C ATOM 501 NZ LYS A 32 -6.634 4.890 -1.604 1.00 0.00 N ATOM 0 H LYS A 32 -2.930 3.109 1.293 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.681 5.397 -0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.443 4.160 0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.307 5.745 -0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.974 4.888 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.709 3.357 -1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.452 2.958 -3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.245 2.976 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.026 5.671 -2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.053 4.534 -3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.551 4.562 -1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.364 4.317 -0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.710 5.888 -1.322 1.00 0.00 H new ATOM 515 N GLN A 33 -2.491 5.865 2.866 1.00 0.00 N ATOM 516 CA GLN A 33 -2.633 6.916 3.920 1.00 0.00 C ATOM 517 C GLN A 33 -1.212 7.288 4.300 1.00 0.00 C ATOM 518 O GLN A 33 -0.824 8.438 4.353 1.00 0.00 O ATOM 519 CB GLN A 33 -3.364 6.241 5.083 1.00 0.00 C ATOM 520 CG GLN A 33 -3.669 7.278 6.166 1.00 0.00 C ATOM 521 CD GLN A 33 -4.625 6.675 7.197 1.00 0.00 C ATOM 522 OE1 GLN A 33 -4.300 6.588 8.365 1.00 0.00 O ATOM 523 NE2 GLN A 33 -5.797 6.251 6.813 1.00 0.00 N ATOM 0 H GLN A 33 -2.222 4.943 3.209 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.182 7.807 3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.289 5.786 4.730 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.751 5.439 5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.746 7.594 6.652 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.114 8.167 5.718 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.070 6.324 5.833 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.441 5.846 7.493 1.00 0.00 H new ATOM 532 N TYR A 34 -0.424 6.267 4.480 1.00 0.00 N ATOM 533 CA TYR A 34 1.029 6.413 4.770 1.00 0.00 C ATOM 534 C TYR A 34 1.651 7.366 3.729 1.00 0.00 C ATOM 535 O TYR A 34 2.471 8.209 4.039 1.00 0.00 O ATOM 536 CB TYR A 34 1.506 4.959 4.583 1.00 0.00 C ATOM 537 CG TYR A 34 2.995 4.867 4.284 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.480 5.136 2.994 1.00 0.00 C ATOM 539 CD2 TYR A 34 3.886 4.506 5.301 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.851 5.043 2.728 1.00 0.00 C ATOM 541 CE2 TYR A 34 5.258 4.413 5.033 1.00 0.00 C ATOM 542 CZ TYR A 34 5.740 4.682 3.747 1.00 0.00 C ATOM 543 OH TYR A 34 7.092 4.591 3.484 1.00 0.00 O ATOM 0 H TYR A 34 -0.741 5.299 4.436 1.00 0.00 H new ATOM 0 HA TYR A 34 1.288 6.829 5.744 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.284 4.389 5.485 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.946 4.498 3.769 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.795 5.415 2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.515 4.299 6.294 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.223 5.250 1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.944 4.134 5.819 1.00 0.00 H new ATOM 0 HH TYR A 34 7.567 4.330 4.300 1.00 0.00 H new ATOM 553 N ALA A 35 1.237 7.220 2.497 1.00 0.00 N ATOM 554 CA ALA A 35 1.755 8.090 1.401 1.00 0.00 C ATOM 555 C ALA A 35 1.317 9.539 1.630 1.00 0.00 C ATOM 556 O ALA A 35 2.096 10.462 1.490 1.00 0.00 O ATOM 557 CB ALA A 35 1.113 7.543 0.122 1.00 0.00 C ATOM 0 H ALA A 35 0.552 6.525 2.201 1.00 0.00 H new ATOM 0 HA ALA A 35 2.844 8.083 1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.446 8.132 -0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.408 6.503 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.028 7.604 0.205 1.00 0.00 H new ATOM 563 N ASN A 36 0.072 9.737 1.980 1.00 0.00 N ATOM 564 CA ASN A 36 -0.438 11.125 2.220 1.00 0.00 C ATOM 565 C ASN A 36 0.363 11.802 3.334 1.00 0.00 C ATOM 566 O ASN A 36 0.802 12.928 3.198 1.00 0.00 O ATOM 567 CB ASN A 36 -1.892 10.953 2.646 1.00 0.00 C ATOM 568 CG ASN A 36 -2.787 10.881 1.407 1.00 0.00 C ATOM 569 OD1 ASN A 36 -2.557 9.973 0.498 1.00 0.00 O flip ATOM 570 ND2 ASN A 36 -3.708 11.661 1.263 1.00 0.00 N flip ATOM 0 H ASN A 36 -0.617 8.996 2.111 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.344 11.750 1.332 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.002 10.045 3.239 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.197 11.787 3.279 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.890 12.372 1.972 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.299 11.605 0.433 1.00 0.00 H new ATOM 577 N ASP A 37 0.553 11.120 4.437 1.00 0.00 N ATOM 578 CA ASP A 37 1.325 11.717 5.575 1.00 0.00 C ATOM 579 C ASP A 37 2.709 12.182 5.111 1.00 0.00 C ATOM 580 O ASP A 37 3.318 13.045 5.714 1.00 0.00 O ATOM 581 CB ASP A 37 1.456 10.597 6.609 1.00 0.00 C ATOM 582 CG ASP A 37 1.797 11.198 7.973 1.00 0.00 C ATOM 583 OD1 ASP A 37 2.649 12.071 8.018 1.00 0.00 O ATOM 584 OD2 ASP A 37 1.202 10.775 8.951 1.00 0.00 O ATOM 0 H ASP A 37 0.207 10.174 4.600 1.00 0.00 H new ATOM 0 HA ASP A 37 0.822 12.593 5.984 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.525 10.034 6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.233 9.896 6.304 1.00 0.00 H new ATOM 589 N ASN A 38 3.201 11.614 4.046 1.00 0.00 N ATOM 590 CA ASN A 38 4.536 12.006 3.528 1.00 0.00 C ATOM 591 C ASN A 38 4.399 12.903 2.289 1.00 0.00 C ATOM 592 O ASN A 38 5.316 13.619 1.933 1.00 0.00 O ATOM 593 CB ASN A 38 5.225 10.689 3.168 1.00 0.00 C ATOM 594 CG ASN A 38 5.979 10.156 4.387 1.00 0.00 C ATOM 595 OD1 ASN A 38 5.730 9.055 4.837 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.897 10.896 4.946 1.00 0.00 N ATOM 0 H ASN A 38 2.728 10.887 3.508 1.00 0.00 H new ATOM 0 HA ASN A 38 5.105 12.578 4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.486 9.959 2.837 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.916 10.843 2.339 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.405 10.550 5.760 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.107 11.820 4.569 1.00 0.00 H new ATOM 603 N GLY A 39 3.267 12.863 1.627 1.00 0.00 N ATOM 604 CA GLY A 39 3.074 13.707 0.409 1.00 0.00 C ATOM 605 C GLY A 39 3.275 12.841 -0.836 1.00 0.00 C ATOM 606 O GLY A 39 3.816 13.280 -1.832 1.00 0.00 O ATOM 0 H GLY A 39 2.468 12.281 1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.075 14.142 0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.782 14.536 0.409 1.00 0.00 H new ATOM 610 N ILE A 40 2.847 11.607 -0.775 1.00 0.00 N ATOM 611 CA ILE A 40 3.009 10.684 -1.935 1.00 0.00 C ATOM 612 C ILE A 40 1.694 10.622 -2.716 1.00 0.00 C ATOM 613 O ILE A 40 0.665 10.237 -2.194 1.00 0.00 O ATOM 614 CB ILE A 40 3.388 9.338 -1.277 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.896 9.304 -1.047 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.996 8.124 -2.130 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.259 10.362 -0.015 1.00 0.00 C ATOM 0 H ILE A 40 2.388 11.196 0.038 1.00 0.00 H new ATOM 0 HA ILE A 40 3.764 10.990 -2.659 1.00 0.00 H new ATOM 0 HB ILE A 40 2.837 9.273 -0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.203 8.317 -0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.425 9.491 -1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.288 7.208 -1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.918 8.123 -2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.504 8.177 -3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.335 10.347 0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.964 11.345 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.738 10.152 0.919 1.00 0.00 H new ATOM 629 N ASP A 41 1.735 11.008 -3.958 1.00 0.00 N ATOM 630 CA ASP A 41 0.494 10.986 -4.792 1.00 0.00 C ATOM 631 C ASP A 41 0.823 10.797 -6.280 1.00 0.00 C ATOM 632 O ASP A 41 0.680 11.707 -7.076 1.00 0.00 O ATOM 633 CB ASP A 41 -0.178 12.345 -4.544 1.00 0.00 C ATOM 634 CG ASP A 41 0.728 13.494 -5.013 1.00 0.00 C ATOM 635 OD1 ASP A 41 1.922 13.276 -5.149 1.00 0.00 O ATOM 636 OD2 ASP A 41 0.208 14.576 -5.228 1.00 0.00 O ATOM 0 H ASP A 41 2.573 11.339 -4.436 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.157 10.154 -4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.130 12.387 -5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.398 12.459 -3.483 1.00 0.00 H new ATOM 641 N GLY A 42 1.245 9.617 -6.660 1.00 0.00 N ATOM 642 CA GLY A 42 1.567 9.355 -8.096 1.00 0.00 C ATOM 643 C GLY A 42 0.674 8.223 -8.611 1.00 0.00 C ATOM 644 O GLY A 42 -0.526 8.377 -8.733 1.00 0.00 O ATOM 0 H GLY A 42 1.381 8.822 -6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.409 10.257 -8.687 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.617 9.084 -8.202 1.00 0.00 H new ATOM 648 N GLU A 43 1.252 7.087 -8.912 1.00 0.00 N ATOM 649 CA GLU A 43 0.435 5.936 -9.419 1.00 0.00 C ATOM 650 C GLU A 43 0.338 4.835 -8.355 1.00 0.00 C ATOM 651 O GLU A 43 0.960 4.916 -7.318 1.00 0.00 O ATOM 652 CB GLU A 43 1.179 5.427 -10.655 1.00 0.00 C ATOM 653 CG GLU A 43 0.170 4.909 -11.691 1.00 0.00 C ATOM 654 CD GLU A 43 0.515 5.466 -13.075 1.00 0.00 C ATOM 655 OE1 GLU A 43 1.694 5.609 -13.358 1.00 0.00 O ATOM 656 OE2 GLU A 43 -0.405 5.740 -13.828 1.00 0.00 O ATOM 0 H GLU A 43 2.252 6.905 -8.830 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.586 6.235 -9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.778 6.229 -11.086 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.868 4.630 -10.374 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.185 3.819 -11.713 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.840 5.208 -11.410 1.00 0.00 H new ATOM 663 N TRP A 44 -0.445 3.813 -8.610 1.00 0.00 N ATOM 664 CA TRP A 44 -0.605 2.693 -7.622 1.00 0.00 C ATOM 665 C TRP A 44 -0.923 1.393 -8.354 1.00 0.00 C ATOM 666 O TRP A 44 -1.763 1.359 -9.234 1.00 0.00 O ATOM 667 CB TRP A 44 -1.802 3.093 -6.757 1.00 0.00 C ATOM 668 CG TRP A 44 -1.358 4.005 -5.669 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.237 5.349 -5.767 1.00 0.00 C ATOM 670 CD2 TRP A 44 -0.983 3.655 -4.315 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.800 5.844 -4.552 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.628 4.836 -3.625 1.00 0.00 C ATOM 673 CE3 TRP A 44 -0.912 2.432 -3.630 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.216 4.806 -2.294 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.498 2.397 -2.289 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.150 3.583 -1.624 1.00 0.00 C ATOM 0 H TRP A 44 -0.986 3.704 -9.468 1.00 0.00 H new ATOM 0 HA TRP A 44 0.300 2.534 -7.036 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.557 3.585 -7.370 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.267 2.204 -6.331 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.447 5.938 -6.648 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.626 6.831 -4.364 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.177 1.515 -4.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.050 5.721 -1.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.447 1.453 -1.767 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.169 3.549 -0.593 1.00 0.00 H new ATOM 687 N THR A 45 -0.270 0.323 -7.989 1.00 0.00 N ATOM 688 CA THR A 45 -0.547 -0.987 -8.656 1.00 0.00 C ATOM 689 C THR A 45 -0.466 -2.103 -7.628 1.00 0.00 C ATOM 690 O THR A 45 0.465 -2.170 -6.850 1.00 0.00 O ATOM 691 CB THR A 45 0.529 -1.185 -9.739 1.00 0.00 C ATOM 692 OG1 THR A 45 1.738 -1.629 -9.141 1.00 0.00 O ATOM 693 CG2 THR A 45 0.783 0.124 -10.488 1.00 0.00 C ATOM 0 H THR A 45 0.442 0.297 -7.260 1.00 0.00 H new ATOM 0 HA THR A 45 -1.542 -1.000 -9.101 1.00 0.00 H new ATOM 0 HB THR A 45 0.174 -1.934 -10.447 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.665 -1.562 -8.166 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.546 -0.035 -11.250 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.140 0.456 -10.963 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.124 0.885 -9.786 1.00 0.00 H new ATOM 701 N TYR A 46 -1.431 -2.975 -7.626 1.00 0.00 N ATOM 702 CA TYR A 46 -1.421 -4.104 -6.653 1.00 0.00 C ATOM 703 C TYR A 46 -0.856 -5.362 -7.329 1.00 0.00 C ATOM 704 O TYR A 46 -1.040 -5.578 -8.513 1.00 0.00 O ATOM 705 CB TYR A 46 -2.891 -4.289 -6.242 1.00 0.00 C ATOM 706 CG TYR A 46 -3.039 -5.561 -5.435 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.336 -5.709 -4.236 1.00 0.00 C ATOM 708 CD2 TYR A 46 -3.860 -6.596 -5.899 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.454 -6.887 -3.495 1.00 0.00 C ATOM 710 CE2 TYR A 46 -3.976 -7.778 -5.160 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.275 -7.925 -3.958 1.00 0.00 C ATOM 712 OH TYR A 46 -3.389 -9.092 -3.232 1.00 0.00 O ATOM 0 H TYR A 46 -2.231 -2.956 -8.258 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.794 -3.912 -5.782 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.225 -3.434 -5.655 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.524 -4.334 -7.128 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.700 -4.911 -3.882 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.403 -6.482 -6.826 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.914 -6.998 -2.567 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.607 -8.578 -5.518 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.998 -9.706 -3.693 1.00 0.00 H new ATOM 722 N ASP A 47 -0.178 -6.191 -6.578 1.00 0.00 N ATOM 723 CA ASP A 47 0.396 -7.440 -7.157 1.00 0.00 C ATOM 724 C ASP A 47 -0.201 -8.662 -6.458 1.00 0.00 C ATOM 725 O ASP A 47 0.187 -9.009 -5.357 1.00 0.00 O ATOM 726 CB ASP A 47 1.901 -7.352 -6.893 1.00 0.00 C ATOM 727 CG ASP A 47 2.506 -6.239 -7.751 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.181 -6.181 -8.926 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.285 -5.465 -7.219 1.00 0.00 O ATOM 0 H ASP A 47 0.003 -6.055 -5.583 1.00 0.00 H new ATOM 0 HA ASP A 47 0.179 -7.540 -8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.085 -7.152 -5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.378 -8.304 -7.125 1.00 0.00 H new ATOM 734 N ASP A 48 -1.141 -9.315 -7.094 1.00 0.00 N ATOM 735 CA ASP A 48 -1.780 -10.523 -6.478 1.00 0.00 C ATOM 736 C ASP A 48 -0.805 -11.713 -6.433 1.00 0.00 C ATOM 737 O ASP A 48 -1.113 -12.746 -5.868 1.00 0.00 O ATOM 738 CB ASP A 48 -2.982 -10.846 -7.374 1.00 0.00 C ATOM 739 CG ASP A 48 -2.509 -11.108 -8.809 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.199 -10.148 -9.493 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.467 -12.264 -9.195 1.00 0.00 O ATOM 0 H ASP A 48 -1.496 -9.064 -8.017 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.075 -10.333 -5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.508 -11.720 -6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.689 -10.017 -7.361 1.00 0.00 H new ATOM 746 N ALA A 49 0.363 -11.577 -7.012 1.00 0.00 N ATOM 747 CA ALA A 49 1.351 -12.695 -6.993 1.00 0.00 C ATOM 748 C ALA A 49 2.217 -12.591 -5.739 1.00 0.00 C ATOM 749 O ALA A 49 2.692 -13.583 -5.216 1.00 0.00 O ATOM 750 CB ALA A 49 2.198 -12.500 -8.251 1.00 0.00 C ATOM 0 H ALA A 49 0.674 -10.736 -7.498 1.00 0.00 H new ATOM 0 HA ALA A 49 0.875 -13.675 -6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.951 -13.286 -8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.557 -12.546 -9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.691 -11.529 -8.211 1.00 0.00 H new ATOM 756 N THR A 50 2.411 -11.395 -5.243 1.00 0.00 N ATOM 757 CA THR A 50 3.229 -11.210 -4.012 1.00 0.00 C ATOM 758 C THR A 50 2.442 -10.398 -2.974 1.00 0.00 C ATOM 759 O THR A 50 2.971 -10.019 -1.948 1.00 0.00 O ATOM 760 CB THR A 50 4.468 -10.442 -4.469 1.00 0.00 C ATOM 761 OG1 THR A 50 4.071 -9.213 -5.061 1.00 0.00 O ATOM 762 CG2 THR A 50 5.239 -11.277 -5.490 1.00 0.00 C ATOM 0 H THR A 50 2.034 -10.535 -5.642 1.00 0.00 H new ATOM 0 HA THR A 50 3.491 -12.158 -3.543 1.00 0.00 H new ATOM 0 HB THR A 50 5.108 -10.241 -3.610 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.865 -8.719 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.123 -10.728 -5.816 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.544 -12.219 -5.034 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.601 -11.480 -6.350 1.00 0.00 H new ATOM 770 N LYS A 51 1.176 -10.123 -3.233 1.00 0.00 N ATOM 771 CA LYS A 51 0.351 -9.330 -2.264 1.00 0.00 C ATOM 772 C LYS A 51 1.043 -8.000 -1.944 1.00 0.00 C ATOM 773 O LYS A 51 1.026 -7.537 -0.819 1.00 0.00 O ATOM 774 CB LYS A 51 0.237 -10.197 -1.005 1.00 0.00 C ATOM 775 CG LYS A 51 -0.407 -11.542 -1.359 1.00 0.00 C ATOM 776 CD LYS A 51 -1.851 -11.315 -1.811 1.00 0.00 C ATOM 777 CE LYS A 51 -2.543 -12.665 -2.007 1.00 0.00 C ATOM 778 NZ LYS A 51 -2.045 -13.166 -3.318 1.00 0.00 N ATOM 0 H LYS A 51 0.683 -10.416 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.631 -9.090 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.224 -10.359 -0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.361 -9.684 -0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.160 -12.031 -2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.386 -12.206 -0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.387 -10.724 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.867 -10.748 -2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.296 -13.356 -1.201 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.627 -12.556 -2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.775 -13.758 -3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.828 -12.360 -3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.184 -13.731 -3.170 1.00 0.00 H new ATOM 792 N THR A 52 1.655 -7.392 -2.929 1.00 0.00 N ATOM 793 CA THR A 52 2.357 -6.091 -2.690 1.00 0.00 C ATOM 794 C THR A 52 1.831 -5.015 -3.644 1.00 0.00 C ATOM 795 O THR A 52 1.420 -5.306 -4.750 1.00 0.00 O ATOM 796 CB THR A 52 3.832 -6.382 -2.969 1.00 0.00 C ATOM 797 OG1 THR A 52 4.222 -7.556 -2.270 1.00 0.00 O ATOM 798 CG2 THR A 52 4.685 -5.202 -2.501 1.00 0.00 C ATOM 0 H THR A 52 1.700 -7.738 -3.887 1.00 0.00 H new ATOM 0 HA THR A 52 2.197 -5.718 -1.679 1.00 0.00 H new ATOM 0 HB THR A 52 3.977 -6.530 -4.039 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.132 -8.333 -2.860 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.736 -5.411 -2.701 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.386 -4.301 -3.037 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.542 -5.051 -1.431 1.00 0.00 H new ATOM 806 N PHE A 53 1.845 -3.774 -3.223 1.00 0.00 N ATOM 807 CA PHE A 53 1.348 -2.676 -4.108 1.00 0.00 C ATOM 808 C PHE A 53 2.535 -1.920 -4.730 1.00 0.00 C ATOM 809 O PHE A 53 3.666 -2.362 -4.631 1.00 0.00 O ATOM 810 CB PHE A 53 0.522 -1.775 -3.191 1.00 0.00 C ATOM 811 CG PHE A 53 -0.777 -2.468 -2.836 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.807 -3.427 -1.812 1.00 0.00 C ATOM 813 CD2 PHE A 53 -1.957 -2.147 -3.523 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.012 -4.060 -1.477 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.158 -2.782 -3.187 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.186 -3.736 -2.164 1.00 0.00 C ATOM 0 H PHE A 53 2.178 -3.475 -2.307 1.00 0.00 H new ATOM 0 HA PHE A 53 0.751 -3.043 -4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.084 -1.547 -2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.316 -0.826 -3.686 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.100 -3.678 -1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.939 -1.409 -4.312 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.034 -4.798 -0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.065 -2.535 -3.719 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.115 -4.222 -1.905 1.00 0.00 H new ATOM 826 N THR A 54 2.301 -0.789 -5.368 1.00 0.00 N ATOM 827 CA THR A 54 3.426 -0.030 -5.985 1.00 0.00 C ATOM 828 C THR A 54 2.989 1.416 -6.138 1.00 0.00 C ATOM 829 O THR A 54 2.371 1.788 -7.120 1.00 0.00 O ATOM 830 CB THR A 54 3.667 -0.662 -7.362 1.00 0.00 C ATOM 831 OG1 THR A 54 3.378 -2.054 -7.319 1.00 0.00 O ATOM 832 CG2 THR A 54 5.129 -0.460 -7.764 1.00 0.00 C ATOM 0 H THR A 54 1.380 -0.367 -5.483 1.00 0.00 H new ATOM 0 HA THR A 54 4.335 -0.062 -5.385 1.00 0.00 H new ATOM 0 HB THR A 54 3.013 -0.185 -8.092 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.148 -2.368 -8.218 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.303 -0.908 -8.742 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.350 0.606 -7.809 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.778 -0.934 -7.027 1.00 0.00 H new ATOM 840 N VAL A 55 3.285 2.223 -5.164 1.00 0.00 N ATOM 841 CA VAL A 55 2.866 3.654 -5.229 1.00 0.00 C ATOM 842 C VAL A 55 3.966 4.511 -5.866 1.00 0.00 C ATOM 843 O VAL A 55 4.970 4.824 -5.257 1.00 0.00 O ATOM 844 CB VAL A 55 2.538 4.088 -3.777 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.668 3.719 -2.815 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.303 5.604 -3.719 1.00 0.00 C ATOM 0 H VAL A 55 3.799 1.958 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 55 1.987 3.788 -5.860 1.00 0.00 H new ATOM 0 HB VAL A 55 1.635 3.560 -3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.406 4.037 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.818 2.639 -2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.587 4.217 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.073 5.898 -2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.201 6.124 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.468 5.868 -4.368 1.00 0.00 H new ATOM 856 N THR A 56 3.756 4.898 -7.096 1.00 0.00 N ATOM 857 CA THR A 56 4.750 5.752 -7.807 1.00 0.00 C ATOM 858 C THR A 56 4.589 7.200 -7.315 1.00 0.00 C ATOM 859 O THR A 56 3.538 7.580 -6.834 1.00 0.00 O ATOM 860 CB THR A 56 4.388 5.593 -9.303 1.00 0.00 C ATOM 861 OG1 THR A 56 4.983 4.408 -9.808 1.00 0.00 O ATOM 862 CG2 THR A 56 4.873 6.789 -10.134 1.00 0.00 C ATOM 0 H THR A 56 2.930 4.656 -7.643 1.00 0.00 H new ATOM 0 HA THR A 56 5.790 5.477 -7.631 1.00 0.00 H new ATOM 0 HB THR A 56 3.302 5.541 -9.381 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.851 4.623 -10.209 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.600 6.641 -11.179 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.407 7.702 -9.764 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.956 6.875 -10.051 1.00 0.00 H new ATOM 870 N GLU A 57 5.617 8.001 -7.434 1.00 0.00 N ATOM 871 CA GLU A 57 5.522 9.420 -6.975 1.00 0.00 C ATOM 872 C GLU A 57 6.010 10.365 -8.078 1.00 0.00 C ATOM 873 O GLU A 57 7.168 10.264 -8.447 1.00 0.00 O ATOM 874 CB GLU A 57 6.436 9.507 -5.752 1.00 0.00 C ATOM 875 CG GLU A 57 6.121 10.784 -4.968 1.00 0.00 C ATOM 876 CD GLU A 57 7.413 11.353 -4.375 1.00 0.00 C ATOM 877 OE1 GLU A 57 8.433 11.269 -5.038 1.00 0.00 O ATOM 878 OE2 GLU A 57 7.358 11.862 -3.267 1.00 0.00 O ATOM 879 OXT GLU A 57 5.217 11.173 -8.531 1.00 0.00 O ATOM 0 H GLU A 57 6.518 7.734 -7.829 1.00 0.00 H new ATOM 0 HA GLU A 57 4.498 9.708 -6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.294 8.633 -5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.480 9.508 -6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.655 11.520 -5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.408 10.568 -4.173 1.00 0.00 H new