USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.0201 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS :FLIP no HD1:sc= -2.58! C(o=-3.4!,f=-2.6!) USER MOD Single : A 33 THR OG1 : rot -55:sc= -1.29 USER MOD Single : A 36 GLN : amide:sc= -0.176 K(o=-0.18,f=-2.8!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -133:sc= 0.125 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -2.8 X(o=-2.8,f=-3.1!) USER MOD Single : A 66 ASN : amide:sc= -0.13 K(o=-0.13,f=-2.7!) USER MOD Single : A 67 MET CE :methyl -140:sc= -1.18 (180deg=-1.27) USER MOD Single : A 68 ASN : amide:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0652 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.012 K(o=0.012,f=-2.6!) USER MOD Single : A 83 LYS NZ :NH3+ -128:sc= 0.203 (180deg=-0.104) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 2.875 24.970 1.364 1.00 0.00 N ATOM 2 CA GLY A -2 1.998 25.812 0.505 1.00 0.00 C ATOM 3 C GLY A -2 0.919 25.004 -0.191 1.00 0.00 C ATOM 4 O GLY A -2 -0.266 25.328 -0.096 1.00 0.00 O ATOM 0 H1 GLY A -2 3.595 25.568 1.817 1.00 0.00 H new ATOM 0 H2 GLY A -2 2.301 24.505 2.096 1.00 0.00 H new ATOM 0 H3 GLY A -2 3.343 24.248 0.780 1.00 0.00 H new ATOM 0 HA2 GLY A -2 1.532 26.586 1.115 1.00 0.00 H new ATOM 0 HA3 GLY A -2 2.607 26.320 -0.243 1.00 0.00 H new ATOM 10 N SER A -1 1.328 23.951 -0.890 1.00 0.00 N ATOM 11 CA SER A -1 0.390 23.092 -1.606 1.00 0.00 C ATOM 12 C SER A -1 0.659 21.623 -1.296 1.00 0.00 C ATOM 13 O SER A -1 1.527 21.299 -0.487 1.00 0.00 O ATOM 14 CB SER A -1 0.489 23.339 -3.113 1.00 0.00 C ATOM 15 OG SER A -1 -0.403 24.362 -3.522 1.00 0.00 O ATOM 0 H SER A -1 2.305 23.671 -0.977 1.00 0.00 H new ATOM 0 HA SER A -1 -0.619 23.335 -1.274 1.00 0.00 H new ATOM 0 HB2 SER A -1 1.510 23.617 -3.373 1.00 0.00 H new ATOM 0 HB3 SER A -1 0.263 22.418 -3.651 1.00 0.00 H new ATOM 0 HG SER A -1 -0.319 24.502 -4.488 1.00 0.00 H new ATOM 21 N THR A 3 -0.094 20.736 -1.943 1.00 0.00 N ATOM 22 CA THR A 3 0.063 19.298 -1.733 1.00 0.00 C ATOM 23 C THR A 3 -0.387 18.907 -0.330 1.00 0.00 C ATOM 24 O THR A 3 0.212 19.321 0.663 1.00 0.00 O ATOM 25 CB THR A 3 1.520 18.884 -1.954 1.00 0.00 C ATOM 26 OG1 THR A 3 2.151 19.746 -2.885 1.00 0.00 O ATOM 27 CG2 THR A 3 1.670 17.467 -2.467 1.00 0.00 C ATOM 0 H THR A 3 -0.818 20.987 -2.616 1.00 0.00 H new ATOM 0 HA THR A 3 -0.565 18.776 -2.455 1.00 0.00 H new ATOM 0 HB THR A 3 1.990 18.950 -0.973 1.00 0.00 H new ATOM 0 HG1 THR A 3 3.082 19.466 -3.011 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.727 17.239 -2.602 1.00 0.00 H new ATOM 0 HG22 THR A 3 1.237 16.772 -1.747 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.153 17.369 -3.422 1.00 0.00 H new ATOM 35 N THR A 4 -1.451 18.110 -0.251 1.00 0.00 N ATOM 36 CA THR A 4 -1.983 17.670 1.033 1.00 0.00 C ATOM 37 C THR A 4 -1.560 16.237 1.345 1.00 0.00 C ATOM 38 O THR A 4 -1.216 15.917 2.485 1.00 0.00 O ATOM 39 CB THR A 4 -3.510 17.780 1.040 1.00 0.00 C ATOM 40 OG1 THR A 4 -3.919 19.091 0.690 1.00 0.00 O ATOM 41 CG2 THR A 4 -4.132 17.450 2.381 1.00 0.00 C ATOM 0 H THR A 4 -1.960 17.757 -1.061 1.00 0.00 H new ATOM 0 HA THR A 4 -1.574 18.320 1.806 1.00 0.00 H new ATOM 0 HB THR A 4 -3.854 17.048 0.309 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.898 19.141 0.698 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.215 17.548 2.314 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.877 16.427 2.659 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.752 18.137 3.137 1.00 0.00 H new ATOM 49 N LYS A 5 -1.582 15.379 0.331 1.00 0.00 N ATOM 50 CA LYS A 5 -1.194 13.982 0.504 1.00 0.00 C ATOM 51 C LYS A 5 -1.190 13.243 -0.831 1.00 0.00 C ATOM 52 O LYS A 5 -2.016 13.513 -1.703 1.00 0.00 O ATOM 53 CB LYS A 5 -2.138 13.281 1.484 1.00 0.00 C ATOM 54 CG LYS A 5 -3.581 13.215 1.006 1.00 0.00 C ATOM 55 CD LYS A 5 -4.418 14.340 1.592 1.00 0.00 C ATOM 56 CE LYS A 5 -5.907 14.057 1.464 1.00 0.00 C ATOM 57 NZ LYS A 5 -6.671 14.551 2.644 1.00 0.00 N ATOM 0 H LYS A 5 -1.864 15.625 -0.618 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.183 13.965 0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.777 12.268 1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.105 13.802 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.607 13.271 -0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.014 12.255 1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.162 14.475 2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.180 15.274 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.290 14.530 0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.064 12.984 1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.681 14.339 2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.324 14.081 3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.542 15.579 2.735 1.00 0.00 H new ATOM 71 N ARG A 6 -0.256 12.306 -0.982 1.00 0.00 N ATOM 72 CA ARG A 6 -0.144 11.525 -2.204 1.00 0.00 C ATOM 73 C ARG A 6 0.174 10.075 -1.867 1.00 0.00 C ATOM 74 O ARG A 6 -0.426 9.149 -2.412 1.00 0.00 O ATOM 75 CB ARG A 6 0.949 12.093 -3.117 1.00 0.00 C ATOM 76 CG ARG A 6 0.896 13.606 -3.293 1.00 0.00 C ATOM 77 CD ARG A 6 0.106 14.000 -4.531 1.00 0.00 C ATOM 78 NE ARG A 6 0.943 14.021 -5.730 1.00 0.00 N ATOM 79 CZ ARG A 6 1.542 15.115 -6.207 1.00 0.00 C ATOM 80 NH1 ARG A 6 1.418 16.280 -5.584 1.00 0.00 N ATOM 81 NH2 ARG A 6 2.274 15.037 -7.310 1.00 0.00 N ATOM 0 H ARG A 6 0.434 12.072 -0.269 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.097 11.576 -2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.923 11.820 -2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.869 11.622 -4.097 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.442 14.059 -2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.910 14.000 -3.367 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.716 13.299 -4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.337 14.984 -4.381 1.00 0.00 H new ATOM 0 HE ARG A 6 1.078 13.144 -6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.861 16.346 -4.732 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.880 17.109 -5.957 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.378 14.144 -7.791 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.733 15.870 -7.677 1.00 0.00 H new ATOM 95 N VAL A 7 1.126 9.893 -0.960 1.00 0.00 N ATOM 96 CA VAL A 7 1.540 8.569 -0.539 1.00 0.00 C ATOM 97 C VAL A 7 0.667 8.040 0.593 1.00 0.00 C ATOM 98 O VAL A 7 0.414 8.738 1.574 1.00 0.00 O ATOM 99 CB VAL A 7 3.008 8.561 -0.082 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.943 8.696 -1.272 1.00 0.00 C ATOM 101 CG2 VAL A 7 3.269 9.660 0.941 1.00 0.00 C ATOM 0 H VAL A 7 1.626 10.655 -0.502 1.00 0.00 H new ATOM 0 HA VAL A 7 1.428 7.919 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 7 3.206 7.603 0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.976 8.688 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.783 7.863 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.741 9.634 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.315 9.631 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.047 10.630 0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.632 9.505 1.812 1.00 0.00 H new ATOM 111 N LEU A 8 0.208 6.799 0.447 1.00 0.00 N ATOM 112 CA LEU A 8 -0.641 6.173 1.456 1.00 0.00 C ATOM 113 C LEU A 8 0.021 4.931 2.040 1.00 0.00 C ATOM 114 O LEU A 8 0.926 4.360 1.436 1.00 0.00 O ATOM 115 CB LEU A 8 -1.991 5.794 0.853 1.00 0.00 C ATOM 116 CG LEU A 8 -2.602 6.844 -0.074 1.00 0.00 C ATOM 117 CD1 LEU A 8 -3.828 6.285 -0.780 1.00 0.00 C ATOM 118 CD2 LEU A 8 -2.952 8.099 0.711 1.00 0.00 C ATOM 0 H LEU A 8 0.410 6.208 -0.360 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.791 6.896 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.875 4.864 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.691 5.596 1.664 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.867 7.109 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.249 7.047 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.542 5.415 -1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.572 5.992 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.386 8.839 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.671 7.851 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.049 8.507 1.166 1.00 0.00 H new ATOM 130 N TYR A 9 -0.443 4.513 3.217 1.00 0.00 N ATOM 131 CA TYR A 9 0.106 3.329 3.874 1.00 0.00 C ATOM 132 C TYR A 9 -0.928 2.214 3.930 1.00 0.00 C ATOM 133 O TYR A 9 -2.080 2.447 4.286 1.00 0.00 O ATOM 134 CB TYR A 9 0.568 3.668 5.297 1.00 0.00 C ATOM 135 CG TYR A 9 1.431 2.596 5.936 1.00 0.00 C ATOM 136 CD1 TYR A 9 0.968 1.291 6.093 1.00 0.00 C ATOM 137 CD2 TYR A 9 2.716 2.887 6.378 1.00 0.00 C ATOM 138 CE1 TYR A 9 1.760 0.315 6.668 1.00 0.00 C ATOM 139 CE2 TYR A 9 3.512 1.914 6.952 1.00 0.00 C ATOM 140 CZ TYR A 9 3.030 0.631 7.093 1.00 0.00 C ATOM 141 OH TYR A 9 3.820 -0.338 7.667 1.00 0.00 O ATOM 0 H TYR A 9 -1.193 4.974 3.732 1.00 0.00 H new ATOM 0 HA TYR A 9 0.962 2.990 3.290 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.126 4.604 5.274 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.309 3.835 5.923 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.027 1.038 5.759 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.099 3.891 6.271 1.00 0.00 H new ATOM 0 HE1 TYR A 9 1.384 -0.691 6.783 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.509 2.158 7.289 1.00 0.00 H new ATOM 0 HH TYR A 9 4.687 0.049 7.911 1.00 0.00 H new ATOM 151 N VAL A 10 -0.507 0.995 3.607 1.00 0.00 N ATOM 152 CA VAL A 10 -1.400 -0.159 3.652 1.00 0.00 C ATOM 153 C VAL A 10 -1.021 -1.064 4.821 1.00 0.00 C ATOM 154 O VAL A 10 0.127 -1.496 4.930 1.00 0.00 O ATOM 155 CB VAL A 10 -1.353 -0.969 2.340 1.00 0.00 C ATOM 156 CG1 VAL A 10 -2.431 -2.043 2.337 1.00 0.00 C ATOM 157 CG2 VAL A 10 -1.505 -0.050 1.137 1.00 0.00 C ATOM 0 H VAL A 10 0.445 0.780 3.312 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.416 0.215 3.784 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.382 -1.459 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.383 -2.604 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.272 -2.720 3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.411 -1.575 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.469 -0.640 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.461 0.471 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.694 0.678 1.131 1.00 0.00 H new ATOM 167 N GLY A 11 -1.980 -1.329 5.710 1.00 0.00 N ATOM 168 CA GLY A 11 -1.701 -2.160 6.872 1.00 0.00 C ATOM 169 C GLY A 11 -2.651 -3.332 7.027 1.00 0.00 C ATOM 170 O GLY A 11 -3.856 -3.149 7.196 1.00 0.00 O ATOM 0 H GLY A 11 -2.938 -0.985 5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.681 -2.538 6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.750 -1.543 7.769 1.00 0.00 H new ATOM 174 N GLY A 12 -2.098 -4.541 6.973 1.00 0.00 N ATOM 175 CA GLY A 12 -2.897 -5.747 7.108 1.00 0.00 C ATOM 176 C GLY A 12 -2.811 -6.593 5.862 1.00 0.00 C ATOM 177 O GLY A 12 -3.796 -7.190 5.427 1.00 0.00 O ATOM 0 H GLY A 12 -1.101 -4.707 6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.552 -6.322 7.967 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.936 -5.480 7.300 1.00 0.00 H new ATOM 181 N LEU A 13 -1.623 -6.612 5.273 1.00 0.00 N ATOM 182 CA LEU A 13 -1.377 -7.346 4.047 1.00 0.00 C ATOM 183 C LEU A 13 -0.890 -8.768 4.313 1.00 0.00 C ATOM 184 O LEU A 13 -0.801 -9.216 5.456 1.00 0.00 O ATOM 185 CB LEU A 13 -0.315 -6.618 3.229 1.00 0.00 C ATOM 186 CG LEU A 13 -0.740 -5.301 2.581 1.00 0.00 C ATOM 187 CD1 LEU A 13 0.471 -4.560 2.028 1.00 0.00 C ATOM 188 CD2 LEU A 13 -1.762 -5.547 1.478 1.00 0.00 C ATOM 0 H LEU A 13 -0.806 -6.119 5.634 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.322 -7.404 3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.539 -6.420 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.030 -7.290 2.443 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.205 -4.680 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.148 -3.625 1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.168 -4.346 2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.965 -5.179 1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.050 -4.596 1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.325 -6.190 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.643 -6.032 1.899 1.00 0.00 H new ATOM 200 N ALA A 14 -0.542 -9.451 3.226 1.00 0.00 N ATOM 201 CA ALA A 14 -0.017 -10.806 3.280 1.00 0.00 C ATOM 202 C ALA A 14 1.227 -10.895 2.403 1.00 0.00 C ATOM 203 O ALA A 14 1.722 -9.879 1.917 1.00 0.00 O ATOM 204 CB ALA A 14 -1.074 -11.810 2.834 1.00 0.00 C ATOM 0 H ALA A 14 -0.618 -9.076 2.281 1.00 0.00 H new ATOM 0 HA ALA A 14 0.254 -11.050 4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.662 -12.818 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.941 -11.741 3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.376 -11.590 1.810 1.00 0.00 H new ATOM 210 N GLU A 15 1.736 -12.103 2.199 1.00 0.00 N ATOM 211 CA GLU A 15 2.926 -12.290 1.374 1.00 0.00 C ATOM 212 C GLU A 15 2.572 -12.382 -0.112 1.00 0.00 C ATOM 213 O GLU A 15 3.437 -12.652 -0.945 1.00 0.00 O ATOM 214 CB GLU A 15 3.672 -13.551 1.807 1.00 0.00 C ATOM 215 CG GLU A 15 5.140 -13.558 1.414 1.00 0.00 C ATOM 216 CD GLU A 15 5.969 -12.585 2.231 1.00 0.00 C ATOM 217 OE1 GLU A 15 5.944 -11.377 1.917 1.00 0.00 O ATOM 218 OE2 GLU A 15 6.641 -13.033 3.183 1.00 0.00 O ATOM 0 H GLU A 15 1.349 -12.962 2.589 1.00 0.00 H new ATOM 0 HA GLU A 15 3.567 -11.420 1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.594 -13.655 2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.183 -14.421 1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.541 -14.564 1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.230 -13.308 0.357 1.00 0.00 H new ATOM 225 N GLU A 16 1.298 -12.175 -0.441 1.00 0.00 N ATOM 226 CA GLU A 16 0.843 -12.253 -1.827 1.00 0.00 C ATOM 227 C GLU A 16 0.809 -10.877 -2.490 1.00 0.00 C ATOM 228 O GLU A 16 1.023 -10.756 -3.697 1.00 0.00 O ATOM 229 CB GLU A 16 -0.555 -12.886 -1.892 1.00 0.00 C ATOM 230 CG GLU A 16 -0.935 -13.660 -0.639 1.00 0.00 C ATOM 231 CD GLU A 16 -1.988 -14.719 -0.903 1.00 0.00 C ATOM 232 OE1 GLU A 16 -1.737 -15.612 -1.741 1.00 0.00 O ATOM 233 OE2 GLU A 16 -3.065 -14.657 -0.272 1.00 0.00 O ATOM 0 H GLU A 16 0.564 -11.953 0.232 1.00 0.00 H new ATOM 0 HA GLU A 16 1.555 -12.875 -2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.292 -12.101 -2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.601 -13.556 -2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.045 -14.134 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.305 -12.965 0.114 1.00 0.00 H new ATOM 240 N VAL A 17 0.524 -9.848 -1.702 1.00 0.00 N ATOM 241 CA VAL A 17 0.439 -8.491 -2.210 1.00 0.00 C ATOM 242 C VAL A 17 1.799 -7.940 -2.608 1.00 0.00 C ATOM 243 O VAL A 17 2.818 -8.211 -1.971 1.00 0.00 O ATOM 244 CB VAL A 17 -0.194 -7.547 -1.172 1.00 0.00 C ATOM 245 CG1 VAL A 17 0.685 -7.453 0.063 1.00 0.00 C ATOM 246 CG2 VAL A 17 -0.448 -6.167 -1.767 1.00 0.00 C ATOM 0 H VAL A 17 0.347 -9.932 -0.701 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.192 -8.538 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.158 -7.962 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.224 -6.782 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.798 -8.443 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.665 -7.067 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.895 -5.522 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.496 -5.735 -2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.126 -6.256 -2.616 1.00 0.00 H new ATOM 256 N ASP A 18 1.781 -7.161 -3.670 1.00 0.00 N ATOM 257 CA ASP A 18 2.975 -6.531 -4.208 1.00 0.00 C ATOM 258 C ASP A 18 2.597 -5.252 -4.945 1.00 0.00 C ATOM 259 O ASP A 18 1.422 -4.903 -5.039 1.00 0.00 O ATOM 260 CB ASP A 18 3.703 -7.487 -5.158 1.00 0.00 C ATOM 261 CG ASP A 18 4.840 -8.225 -4.481 1.00 0.00 C ATOM 262 OD1 ASP A 18 5.839 -7.570 -4.118 1.00 0.00 O ATOM 263 OD2 ASP A 18 4.732 -9.458 -4.316 1.00 0.00 O ATOM 0 H ASP A 18 0.931 -6.944 -4.190 1.00 0.00 H new ATOM 0 HA ASP A 18 3.644 -6.286 -3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.991 -8.210 -5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.094 -6.924 -6.006 1.00 0.00 H new ATOM 268 N ASP A 19 3.592 -4.566 -5.480 1.00 0.00 N ATOM 269 CA ASP A 19 3.351 -3.335 -6.219 1.00 0.00 C ATOM 270 C ASP A 19 2.498 -3.618 -7.447 1.00 0.00 C ATOM 271 O ASP A 19 1.746 -2.760 -7.907 1.00 0.00 O ATOM 272 CB ASP A 19 4.675 -2.691 -6.634 1.00 0.00 C ATOM 273 CG ASP A 19 5.564 -3.646 -7.404 1.00 0.00 C ATOM 274 OD1 ASP A 19 5.347 -3.807 -8.624 1.00 0.00 O ATOM 275 OD2 ASP A 19 6.479 -4.231 -6.789 1.00 0.00 O ATOM 0 H ASP A 19 4.573 -4.838 -5.418 1.00 0.00 H new ATOM 0 HA ASP A 19 2.816 -2.641 -5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.473 -1.813 -7.247 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.202 -2.345 -5.745 1.00 0.00 H new ATOM 280 N LYS A 20 2.635 -4.827 -7.975 1.00 0.00 N ATOM 281 CA LYS A 20 1.898 -5.241 -9.159 1.00 0.00 C ATOM 282 C LYS A 20 0.397 -5.298 -8.898 1.00 0.00 C ATOM 283 O LYS A 20 -0.401 -4.781 -9.681 1.00 0.00 O ATOM 284 CB LYS A 20 2.408 -6.614 -9.610 1.00 0.00 C ATOM 285 CG LYS A 20 1.831 -7.786 -8.823 1.00 0.00 C ATOM 286 CD LYS A 20 2.418 -9.114 -9.278 1.00 0.00 C ATOM 287 CE LYS A 20 1.470 -9.867 -10.202 1.00 0.00 C ATOM 288 NZ LYS A 20 2.080 -10.121 -11.536 1.00 0.00 N ATOM 0 H LYS A 20 3.256 -5.543 -7.597 1.00 0.00 H new ATOM 0 HA LYS A 20 2.063 -4.503 -9.944 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.171 -6.748 -10.665 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.494 -6.632 -9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.031 -7.645 -7.761 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.748 -7.807 -8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.362 -8.936 -9.793 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.641 -9.730 -8.407 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.193 -10.816 -9.743 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.552 -9.293 -10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.403 -10.635 -12.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.321 -9.215 -11.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.942 -10.691 -11.421 1.00 0.00 H new ATOM 302 N VAL A 21 0.021 -5.932 -7.798 1.00 0.00 N ATOM 303 CA VAL A 21 -1.381 -6.059 -7.433 1.00 0.00 C ATOM 304 C VAL A 21 -1.936 -4.726 -6.970 1.00 0.00 C ATOM 305 O VAL A 21 -3.012 -4.307 -7.389 1.00 0.00 O ATOM 306 CB VAL A 21 -1.599 -7.134 -6.346 1.00 0.00 C ATOM 307 CG1 VAL A 21 -1.385 -6.565 -4.958 1.00 0.00 C ATOM 308 CG2 VAL A 21 -2.984 -7.748 -6.472 1.00 0.00 C ATOM 0 H VAL A 21 0.669 -6.367 -7.141 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.919 -6.377 -8.326 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.859 -7.920 -6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.546 -7.347 -4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.366 -6.188 -4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.089 -5.751 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.119 -8.503 -5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.739 -6.970 -6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.089 -8.211 -7.453 1.00 0.00 H new ATOM 318 N LEU A 22 -1.178 -4.059 -6.106 1.00 0.00 N ATOM 319 CA LEU A 22 -1.582 -2.763 -5.585 1.00 0.00 C ATOM 320 C LEU A 22 -1.720 -1.789 -6.737 1.00 0.00 C ATOM 321 O LEU A 22 -2.631 -0.962 -6.766 1.00 0.00 O ATOM 322 CB LEU A 22 -0.557 -2.256 -4.565 1.00 0.00 C ATOM 323 CG LEU A 22 -0.564 -3.005 -3.227 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.857 -3.303 -2.761 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.321 -2.222 -2.160 1.00 0.00 C ATOM 0 H LEU A 22 -0.282 -4.396 -5.754 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.542 -2.856 -5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.439 -2.330 -5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.744 -1.199 -4.376 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.081 -3.952 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.824 -3.835 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.362 -3.920 -3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.402 -2.368 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.309 -2.779 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.844 -1.253 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.352 -2.074 -2.480 1.00 0.00 H new ATOM 337 N HIS A 23 -0.827 -1.920 -7.710 1.00 0.00 N ATOM 338 CA HIS A 23 -0.868 -1.080 -8.889 1.00 0.00 C ATOM 339 C HIS A 23 -2.226 -1.223 -9.569 1.00 0.00 C ATOM 340 O HIS A 23 -2.933 -0.244 -9.781 1.00 0.00 O ATOM 341 CB HIS A 23 0.254 -1.486 -9.850 1.00 0.00 C ATOM 342 CG HIS A 23 0.212 -0.779 -11.170 1.00 0.00 C ATOM 343 ND1 HIS A 23 -0.474 0.317 -11.570 1.00 0.00 N flip ATOM 344 CD2 HIS A 23 0.950 -1.186 -12.263 1.00 0.00 C flip ATOM 345 CE1 HIS A 23 -0.140 0.552 -12.883 1.00 0.00 C flip ATOM 346 NE2 HIS A 23 0.721 -0.369 -13.274 1.00 0.00 N flip ATOM 0 H HIS A 23 -0.068 -2.601 -7.701 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.724 -0.038 -8.602 1.00 0.00 H new ATOM 0 HB2 HIS A 23 1.215 -1.289 -9.374 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.199 -2.561 -10.023 1.00 0.00 H new ATOM 0 HD2 HIS A 23 1.611 -2.039 -12.287 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -0.520 1.358 -13.494 1.00 0.00 H new ATOM 0 HE2 HIS A 23 1.139 -0.438 -14.202 1.00 0.00 H new ATOM 355 N ALA A 24 -2.579 -2.464 -9.884 1.00 0.00 N ATOM 356 CA ALA A 24 -3.853 -2.781 -10.525 1.00 0.00 C ATOM 357 C ALA A 24 -5.052 -2.538 -9.604 1.00 0.00 C ATOM 358 O ALA A 24 -6.102 -2.072 -10.048 1.00 0.00 O ATOM 359 CB ALA A 24 -3.846 -4.226 -11.006 1.00 0.00 C ATOM 0 H ALA A 24 -1.992 -3.279 -9.703 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.963 -2.108 -11.375 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.799 -4.455 -11.483 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.038 -4.367 -11.724 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.696 -4.892 -10.156 1.00 0.00 H new ATOM 365 N ALA A 25 -4.906 -2.891 -8.330 1.00 0.00 N ATOM 366 CA ALA A 25 -5.992 -2.746 -7.360 1.00 0.00 C ATOM 367 C ALA A 25 -6.278 -1.296 -7.008 1.00 0.00 C ATOM 368 O ALA A 25 -7.428 -0.926 -6.774 1.00 0.00 O ATOM 369 CB ALA A 25 -5.686 -3.527 -6.091 1.00 0.00 C ATOM 0 H ALA A 25 -4.046 -3.280 -7.943 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.885 -3.150 -7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.506 -3.406 -5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.569 -4.583 -6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.764 -3.152 -5.646 1.00 0.00 H new ATOM 375 N PHE A 26 -5.238 -0.485 -6.933 1.00 0.00 N ATOM 376 CA PHE A 26 -5.415 0.907 -6.564 1.00 0.00 C ATOM 377 C PHE A 26 -5.512 1.828 -7.785 1.00 0.00 C ATOM 378 O PHE A 26 -5.815 3.014 -7.647 1.00 0.00 O ATOM 379 CB PHE A 26 -4.286 1.332 -5.630 1.00 0.00 C ATOM 380 CG PHE A 26 -4.311 0.619 -4.302 1.00 0.00 C ATOM 381 CD1 PHE A 26 -4.149 -0.762 -4.227 1.00 0.00 C ATOM 382 CD2 PHE A 26 -4.488 1.331 -3.125 1.00 0.00 C ATOM 383 CE1 PHE A 26 -4.167 -1.407 -3.004 1.00 0.00 C ATOM 384 CE2 PHE A 26 -4.505 0.688 -1.903 1.00 0.00 C ATOM 385 CZ PHE A 26 -4.345 -0.683 -1.843 1.00 0.00 C ATOM 0 H PHE A 26 -4.274 -0.762 -7.120 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.367 1.002 -6.041 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.330 1.143 -6.118 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.350 2.407 -5.459 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.008 -1.334 -5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.614 2.403 -3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.042 -2.479 -2.957 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.643 1.256 -0.995 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.359 -1.188 -0.888 1.00 0.00 H new ATOM 395 N ILE A 27 -5.264 1.286 -8.980 1.00 0.00 N ATOM 396 CA ILE A 27 -5.342 2.088 -10.201 1.00 0.00 C ATOM 397 C ILE A 27 -6.766 2.599 -10.457 1.00 0.00 C ATOM 398 O ILE A 27 -6.936 3.746 -10.872 1.00 0.00 O ATOM 399 CB ILE A 27 -4.802 1.325 -11.443 1.00 0.00 C ATOM 400 CG1 ILE A 27 -4.251 2.315 -12.467 1.00 0.00 C ATOM 401 CG2 ILE A 27 -5.849 0.429 -12.085 1.00 0.00 C ATOM 402 CD1 ILE A 27 -2.781 2.598 -12.279 1.00 0.00 C ATOM 0 H ILE A 27 -5.011 0.309 -9.127 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.697 2.952 -10.040 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.001 0.673 -11.095 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.414 1.921 -13.470 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.808 3.250 -12.397 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.415 -0.078 -12.947 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.187 -0.312 -11.361 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.696 1.034 -12.408 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.447 3.308 -13.036 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.616 3.020 -11.288 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.216 1.671 -12.377 1.00 0.00 H new ATOM 414 N PRO A 28 -7.821 1.783 -10.209 1.00 0.00 N ATOM 415 CA PRO A 28 -9.202 2.228 -10.423 1.00 0.00 C ATOM 416 C PRO A 28 -9.515 3.460 -9.584 1.00 0.00 C ATOM 417 O PRO A 28 -10.141 4.407 -10.059 1.00 0.00 O ATOM 418 CB PRO A 28 -10.055 1.033 -9.975 1.00 0.00 C ATOM 419 CG PRO A 28 -9.151 0.212 -9.125 1.00 0.00 C ATOM 420 CD PRO A 28 -7.776 0.396 -9.699 1.00 0.00 C ATOM 0 HA PRO A 28 -9.391 2.514 -11.458 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.932 1.361 -9.417 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.417 0.463 -10.831 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.188 0.538 -8.085 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.445 -0.838 -9.141 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.001 0.267 -8.943 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.569 -0.321 -10.493 1.00 0.00 H new ATOM 428 N PHE A 29 -9.053 3.445 -8.338 1.00 0.00 N ATOM 429 CA PHE A 29 -9.262 4.568 -7.435 1.00 0.00 C ATOM 430 C PHE A 29 -8.387 5.745 -7.858 1.00 0.00 C ATOM 431 O PHE A 29 -8.687 6.899 -7.553 1.00 0.00 O ATOM 432 CB PHE A 29 -8.941 4.174 -5.989 1.00 0.00 C ATOM 433 CG PHE A 29 -9.274 2.744 -5.656 1.00 0.00 C ATOM 434 CD1 PHE A 29 -10.539 2.237 -5.904 1.00 0.00 C ATOM 435 CD2 PHE A 29 -8.318 1.909 -5.098 1.00 0.00 C ATOM 436 CE1 PHE A 29 -10.845 0.923 -5.600 1.00 0.00 C ATOM 437 CE2 PHE A 29 -8.618 0.597 -4.793 1.00 0.00 C ATOM 438 CZ PHE A 29 -9.883 0.102 -5.045 1.00 0.00 C ATOM 0 H PHE A 29 -8.532 2.668 -7.932 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.311 4.859 -7.487 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.880 4.342 -5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.490 4.831 -5.314 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.294 2.875 -6.339 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.327 2.290 -4.900 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.835 0.539 -5.796 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.864 -0.042 -4.358 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.119 -0.925 -4.808 1.00 0.00 H new ATOM 448 N GLY A 30 -7.302 5.438 -8.566 1.00 0.00 N ATOM 449 CA GLY A 30 -6.393 6.467 -9.025 1.00 0.00 C ATOM 450 C GLY A 30 -5.098 5.875 -9.531 1.00 0.00 C ATOM 451 O GLY A 30 -4.484 5.043 -8.862 1.00 0.00 O ATOM 0 H GLY A 30 -7.038 4.489 -8.829 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.866 7.044 -9.820 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.184 7.160 -8.210 1.00 0.00 H new ATOM 455 N ASP A 31 -4.689 6.284 -10.722 1.00 0.00 N ATOM 456 CA ASP A 31 -3.468 5.765 -11.320 1.00 0.00 C ATOM 457 C ASP A 31 -2.260 5.994 -10.423 1.00 0.00 C ATOM 458 O ASP A 31 -1.774 7.115 -10.277 1.00 0.00 O ATOM 459 CB ASP A 31 -3.229 6.388 -12.692 1.00 0.00 C ATOM 460 CG ASP A 31 -4.486 6.433 -13.542 1.00 0.00 C ATOM 461 OD1 ASP A 31 -5.509 5.853 -13.122 1.00 0.00 O ATOM 462 OD2 ASP A 31 -4.443 7.048 -14.629 1.00 0.00 O ATOM 0 H ASP A 31 -5.182 6.971 -11.292 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.599 4.689 -11.439 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.845 7.400 -12.565 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.461 5.819 -13.216 1.00 0.00 H new ATOM 467 N ILE A 32 -1.784 4.908 -9.832 1.00 0.00 N ATOM 468 CA ILE A 32 -0.627 4.946 -8.946 1.00 0.00 C ATOM 469 C ILE A 32 0.609 5.451 -9.679 1.00 0.00 C ATOM 470 O ILE A 32 0.736 5.296 -10.893 1.00 0.00 O ATOM 471 CB ILE A 32 -0.350 3.534 -8.386 1.00 0.00 C ATOM 472 CG1 ILE A 32 -1.535 3.063 -7.547 1.00 0.00 C ATOM 473 CG2 ILE A 32 0.936 3.474 -7.569 1.00 0.00 C ATOM 474 CD1 ILE A 32 -2.207 1.836 -8.108 1.00 0.00 C ATOM 0 H ILE A 32 -2.186 3.978 -9.952 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.849 5.632 -8.128 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.218 2.867 -9.238 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.194 2.852 -6.534 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.265 3.869 -7.476 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.084 2.460 -7.198 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.780 3.758 -8.198 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.864 4.162 -6.726 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.041 1.552 -7.466 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.577 2.050 -9.111 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.489 1.017 -8.154 1.00 0.00 H new ATOM 486 N THR A 33 1.521 6.046 -8.922 1.00 0.00 N ATOM 487 CA THR A 33 2.760 6.568 -9.479 1.00 0.00 C ATOM 488 C THR A 33 3.959 5.862 -8.879 1.00 0.00 C ATOM 489 O THR A 33 4.981 5.682 -9.543 1.00 0.00 O ATOM 490 CB THR A 33 2.876 8.061 -9.220 1.00 0.00 C ATOM 491 OG1 THR A 33 1.617 8.618 -8.885 1.00 0.00 O ATOM 492 CG2 THR A 33 3.428 8.832 -10.399 1.00 0.00 C ATOM 0 H THR A 33 1.424 6.179 -7.915 1.00 0.00 H new ATOM 0 HA THR A 33 2.742 6.389 -10.554 1.00 0.00 H new ATOM 0 HB THR A 33 3.575 8.154 -8.389 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.969 8.408 -9.589 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.485 9.891 -10.147 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.425 8.463 -10.641 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.773 8.699 -11.260 1.00 0.00 H new ATOM 500 N ASP A 34 3.841 5.467 -7.619 1.00 0.00 N ATOM 501 CA ASP A 34 4.935 4.792 -6.953 1.00 0.00 C ATOM 502 C ASP A 34 4.438 3.881 -5.830 1.00 0.00 C ATOM 503 O ASP A 34 3.465 4.190 -5.145 1.00 0.00 O ATOM 504 CB ASP A 34 5.927 5.819 -6.396 1.00 0.00 C ATOM 505 CG ASP A 34 7.293 5.726 -7.049 1.00 0.00 C ATOM 506 OD1 ASP A 34 7.578 4.695 -7.693 1.00 0.00 O ATOM 507 OD2 ASP A 34 8.080 6.687 -6.915 1.00 0.00 O ATOM 0 H ASP A 34 3.007 5.602 -7.047 1.00 0.00 H new ATOM 0 HA ASP A 34 5.437 4.166 -7.691 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.526 6.822 -6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.032 5.671 -5.321 1.00 0.00 H new ATOM 512 N ILE A 35 5.129 2.762 -5.639 1.00 0.00 N ATOM 513 CA ILE A 35 4.777 1.813 -4.589 1.00 0.00 C ATOM 514 C ILE A 35 6.034 1.240 -3.952 1.00 0.00 C ATOM 515 O ILE A 35 6.847 0.607 -4.626 1.00 0.00 O ATOM 516 CB ILE A 35 3.902 0.662 -5.120 1.00 0.00 C ATOM 517 CG1 ILE A 35 2.742 1.216 -5.951 1.00 0.00 C ATOM 518 CG2 ILE A 35 3.377 -0.178 -3.963 1.00 0.00 C ATOM 519 CD1 ILE A 35 1.865 0.145 -6.567 1.00 0.00 C ATOM 0 H ILE A 35 5.937 2.490 -6.199 1.00 0.00 H new ATOM 0 HA ILE A 35 4.200 2.360 -3.843 1.00 0.00 H new ATOM 0 HB ILE A 35 4.512 0.025 -5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.127 1.856 -5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.144 1.845 -6.746 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.760 -0.988 -4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.216 -0.596 -3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.779 0.448 -3.301 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.066 0.615 -7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.465 -0.482 -7.227 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.432 -0.470 -5.778 1.00 0.00 H new ATOM 531 N GLN A 36 6.202 1.478 -2.655 1.00 0.00 N ATOM 532 CA GLN A 36 7.378 0.996 -1.940 1.00 0.00 C ATOM 533 C GLN A 36 7.010 0.034 -0.816 1.00 0.00 C ATOM 534 O GLN A 36 6.165 0.336 0.028 1.00 0.00 O ATOM 535 CB GLN A 36 8.163 2.177 -1.370 1.00 0.00 C ATOM 536 CG GLN A 36 9.665 1.951 -1.341 1.00 0.00 C ATOM 537 CD GLN A 36 10.123 1.253 -0.076 1.00 0.00 C ATOM 538 OE1 GLN A 36 9.343 1.061 0.857 1.00 0.00 O ATOM 539 NE2 GLN A 36 11.393 0.867 -0.039 1.00 0.00 N ATOM 0 H GLN A 36 5.541 2.000 -2.080 1.00 0.00 H new ATOM 0 HA GLN A 36 7.994 0.451 -2.655 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.949 3.065 -1.964 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.815 2.379 -0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.956 1.356 -2.206 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.175 2.910 -1.428 1.00 0.00 H new ATOM 0 HE21 GLN A 36 12.004 1.047 -0.836 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.757 0.391 0.786 1.00 0.00 H new ATOM 548 N ILE A 37 7.669 -1.119 -0.804 1.00 0.00 N ATOM 549 CA ILE A 37 7.444 -2.130 0.220 1.00 0.00 C ATOM 550 C ILE A 37 8.711 -2.321 1.052 1.00 0.00 C ATOM 551 O ILE A 37 9.707 -2.851 0.561 1.00 0.00 O ATOM 552 CB ILE A 37 7.030 -3.479 -0.402 1.00 0.00 C ATOM 553 CG1 ILE A 37 5.845 -3.288 -1.357 1.00 0.00 C ATOM 554 CG2 ILE A 37 6.685 -4.483 0.689 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.113 -3.780 -2.763 1.00 0.00 C ATOM 0 H ILE A 37 8.369 -1.377 -1.499 1.00 0.00 H new ATOM 0 HA ILE A 37 6.631 -1.783 0.858 1.00 0.00 H new ATOM 0 HB ILE A 37 7.871 -3.870 -0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.978 -3.814 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.587 -2.230 -1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.395 -5.430 0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.554 -4.639 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.859 -4.100 1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.231 -3.612 -3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.960 -3.237 -3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.342 -4.845 -2.738 1.00 0.00 H new ATOM 567 N PRO A 38 8.706 -1.869 2.323 1.00 0.00 N ATOM 568 CA PRO A 38 9.878 -1.978 3.202 1.00 0.00 C ATOM 569 C PRO A 38 10.177 -3.410 3.629 1.00 0.00 C ATOM 570 O PRO A 38 9.272 -4.220 3.826 1.00 0.00 O ATOM 571 CB PRO A 38 9.491 -1.130 4.413 1.00 0.00 C ATOM 572 CG PRO A 38 8.008 -1.184 4.438 1.00 0.00 C ATOM 573 CD PRO A 38 7.577 -1.204 2.999 1.00 0.00 C ATOM 0 HA PRO A 38 10.786 -1.648 2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.919 -1.530 5.332 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.850 -0.106 4.313 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.657 -2.072 4.964 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.594 -0.321 4.959 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.646 -1.754 2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.412 -0.198 2.613 1.00 0.00 H new ATOM 581 N LEU A 39 11.464 -3.703 3.764 1.00 0.00 N ATOM 582 CA LEU A 39 11.922 -5.030 4.162 1.00 0.00 C ATOM 583 C LEU A 39 12.363 -5.038 5.626 1.00 0.00 C ATOM 584 O LEU A 39 12.238 -4.033 6.326 1.00 0.00 O ATOM 585 CB LEU A 39 13.076 -5.470 3.259 1.00 0.00 C ATOM 586 CG LEU A 39 12.655 -5.938 1.863 1.00 0.00 C ATOM 587 CD1 LEU A 39 13.730 -5.609 0.833 1.00 0.00 C ATOM 588 CD2 LEU A 39 12.356 -7.430 1.872 1.00 0.00 C ATOM 0 H LEU A 39 12.216 -3.033 3.602 1.00 0.00 H new ATOM 0 HA LEU A 39 11.094 -5.731 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 39 13.774 -4.639 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 39 13.616 -6.279 3.751 1.00 0.00 H new ATOM 0 HG LEU A 39 11.746 -5.406 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.408 -5.951 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 39 13.892 -4.531 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 39 14.660 -6.109 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.058 -7.747 0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.248 -7.978 2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.547 -7.635 2.574 1.00 0.00 H new ATOM 600 N ASP A 40 12.870 -6.181 6.084 1.00 0.00 N ATOM 601 CA ASP A 40 13.318 -6.321 7.468 1.00 0.00 C ATOM 602 C ASP A 40 14.679 -5.657 7.693 1.00 0.00 C ATOM 603 O ASP A 40 15.072 -5.421 8.834 1.00 0.00 O ATOM 604 CB ASP A 40 13.386 -7.805 7.850 1.00 0.00 C ATOM 605 CG ASP A 40 12.365 -8.185 8.904 1.00 0.00 C ATOM 606 OD1 ASP A 40 11.948 -7.297 9.677 1.00 0.00 O ATOM 607 OD2 ASP A 40 11.983 -9.373 8.960 1.00 0.00 O ATOM 0 H ASP A 40 12.981 -7.022 5.518 1.00 0.00 H new ATOM 0 HA ASP A 40 12.593 -5.814 8.105 1.00 0.00 H new ATOM 0 HB2 ASP A 40 13.226 -8.413 6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 40 14.386 -8.036 8.218 1.00 0.00 H new ATOM 612 N TYR A 41 15.393 -5.362 6.607 1.00 0.00 N ATOM 613 CA TYR A 41 16.711 -4.722 6.692 1.00 0.00 C ATOM 614 C TYR A 41 17.794 -5.704 7.163 1.00 0.00 C ATOM 615 O TYR A 41 18.961 -5.330 7.297 1.00 0.00 O ATOM 616 CB TYR A 41 16.645 -3.472 7.597 1.00 0.00 C ATOM 617 CG TYR A 41 17.713 -3.394 8.673 1.00 0.00 C ATOM 618 CD1 TYR A 41 17.528 -3.995 9.912 1.00 0.00 C ATOM 619 CD2 TYR A 41 18.901 -2.711 8.447 1.00 0.00 C ATOM 620 CE1 TYR A 41 18.498 -3.918 10.895 1.00 0.00 C ATOM 621 CE2 TYR A 41 19.875 -2.629 9.425 1.00 0.00 C ATOM 622 CZ TYR A 41 19.669 -3.234 10.648 1.00 0.00 C ATOM 623 OH TYR A 41 20.639 -3.152 11.622 1.00 0.00 O ATOM 0 H TYR A 41 15.082 -5.555 5.655 1.00 0.00 H new ATOM 0 HA TYR A 41 16.994 -4.402 5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 41 16.720 -2.584 6.969 1.00 0.00 H new ATOM 0 HB3 TYR A 41 15.667 -3.442 8.076 1.00 0.00 H new ATOM 0 HD1 TYR A 41 16.612 -4.531 10.111 1.00 0.00 H new ATOM 0 HD2 TYR A 41 19.067 -2.236 7.491 1.00 0.00 H new ATOM 0 HE1 TYR A 41 18.339 -4.392 11.852 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.793 -2.094 9.233 1.00 0.00 H new ATOM 0 HH TYR A 41 21.400 -2.636 11.283 1.00 0.00 H new ATOM 633 N GLU A 42 17.413 -6.959 7.391 1.00 0.00 N ATOM 634 CA GLU A 42 18.367 -7.982 7.820 1.00 0.00 C ATOM 635 C GLU A 42 17.969 -9.348 7.270 1.00 0.00 C ATOM 636 O GLU A 42 18.814 -10.115 6.810 1.00 0.00 O ATOM 637 CB GLU A 42 18.479 -8.024 9.350 1.00 0.00 C ATOM 638 CG GLU A 42 17.151 -8.189 10.075 1.00 0.00 C ATOM 639 CD GLU A 42 17.314 -8.826 11.443 1.00 0.00 C ATOM 640 OE1 GLU A 42 17.510 -10.057 11.503 1.00 0.00 O ATOM 641 OE2 GLU A 42 17.243 -8.094 12.452 1.00 0.00 O ATOM 0 H GLU A 42 16.455 -7.292 7.287 1.00 0.00 H new ATOM 0 HA GLU A 42 19.347 -7.721 7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 42 19.137 -8.846 9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.954 -7.105 9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.677 -7.214 10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 42 16.483 -8.801 9.469 1.00 0.00 H new ATOM 648 N THR A 43 16.674 -9.637 7.313 1.00 0.00 N ATOM 649 CA THR A 43 16.150 -10.900 6.810 1.00 0.00 C ATOM 650 C THR A 43 15.538 -10.712 5.426 1.00 0.00 C ATOM 651 O THR A 43 15.396 -11.670 4.665 1.00 0.00 O ATOM 652 CB THR A 43 15.102 -11.460 7.774 1.00 0.00 C ATOM 653 OG1 THR A 43 13.912 -10.693 7.719 1.00 0.00 O ATOM 654 CG2 THR A 43 15.567 -11.485 9.215 1.00 0.00 C ATOM 0 H THR A 43 15.965 -9.010 7.693 1.00 0.00 H new ATOM 0 HA THR A 43 16.975 -11.608 6.733 1.00 0.00 H new ATOM 0 HB THR A 43 14.927 -12.485 7.449 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.613 -10.487 8.629 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.777 -11.893 9.845 1.00 0.00 H new ATOM 0 HG22 THR A 43 16.457 -12.109 9.299 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.802 -10.471 9.539 1.00 0.00 H new ATOM 662 N GLU A 44 15.174 -9.467 5.112 1.00 0.00 N ATOM 663 CA GLU A 44 14.572 -9.121 3.825 1.00 0.00 C ATOM 664 C GLU A 44 13.569 -10.180 3.367 1.00 0.00 C ATOM 665 O GLU A 44 13.748 -10.815 2.328 1.00 0.00 O ATOM 666 CB GLU A 44 15.658 -8.909 2.762 1.00 0.00 C ATOM 667 CG GLU A 44 16.447 -10.160 2.410 1.00 0.00 C ATOM 668 CD GLU A 44 16.840 -10.204 0.946 1.00 0.00 C ATOM 669 OE1 GLU A 44 16.961 -9.123 0.333 1.00 0.00 O ATOM 670 OE2 GLU A 44 17.022 -11.319 0.413 1.00 0.00 O ATOM 0 H GLU A 44 15.288 -8.673 5.742 1.00 0.00 H new ATOM 0 HA GLU A 44 14.025 -8.187 3.957 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.192 -8.522 1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 44 16.351 -8.145 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 44 17.345 -10.205 3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.852 -11.041 2.650 1.00 0.00 H new ATOM 677 N LYS A 45 12.509 -10.365 4.149 1.00 0.00 N ATOM 678 CA LYS A 45 11.480 -11.345 3.820 1.00 0.00 C ATOM 679 C LYS A 45 10.091 -10.705 3.744 1.00 0.00 C ATOM 680 O LYS A 45 9.104 -11.391 3.480 1.00 0.00 O ATOM 681 CB LYS A 45 11.472 -12.471 4.856 1.00 0.00 C ATOM 682 CG LYS A 45 12.811 -13.182 4.999 1.00 0.00 C ATOM 683 CD LYS A 45 12.677 -14.693 4.838 1.00 0.00 C ATOM 684 CE LYS A 45 13.272 -15.173 3.522 1.00 0.00 C ATOM 685 NZ LYS A 45 12.515 -16.323 2.955 1.00 0.00 N ATOM 0 H LYS A 45 12.341 -9.850 5.013 1.00 0.00 H new ATOM 0 HA LYS A 45 11.718 -11.753 2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.184 -12.060 5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.711 -13.201 4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.506 -12.798 4.253 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.237 -12.958 5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.177 -15.193 5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.624 -14.972 4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.276 -14.352 2.805 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.311 -15.464 3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.953 -16.619 2.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.533 -17.116 3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.530 -16.038 2.781 1.00 0.00 H new ATOM 699 N HIS A 46 10.017 -9.395 3.982 1.00 0.00 N ATOM 700 CA HIS A 46 8.745 -8.680 3.943 1.00 0.00 C ATOM 701 C HIS A 46 7.792 -9.194 5.016 1.00 0.00 C ATOM 702 O HIS A 46 7.865 -10.352 5.425 1.00 0.00 O ATOM 703 CB HIS A 46 8.092 -8.811 2.567 1.00 0.00 C ATOM 704 CG HIS A 46 8.852 -8.129 1.476 1.00 0.00 C ATOM 705 ND1 HIS A 46 9.077 -6.769 1.450 1.00 0.00 N ATOM 706 CD2 HIS A 46 9.434 -8.626 0.360 1.00 0.00 C ATOM 707 CE1 HIS A 46 9.762 -6.459 0.364 1.00 0.00 C ATOM 708 NE2 HIS A 46 9.991 -7.569 -0.314 1.00 0.00 N ATOM 0 H HIS A 46 10.823 -8.810 4.203 1.00 0.00 H new ATOM 0 HA HIS A 46 8.954 -7.628 4.138 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.991 -9.868 2.322 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.085 -8.396 2.611 1.00 0.00 H new ATOM 0 HD2 HIS A 46 9.456 -9.662 0.056 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.080 -5.467 0.079 1.00 0.00 H new ATOM 0 HE2 HIS A 46 10.500 -7.630 -1.196 1.00 0.00 H new ATOM 717 N ARG A 47 6.888 -8.323 5.457 1.00 0.00 N ATOM 718 CA ARG A 47 5.905 -8.683 6.470 1.00 0.00 C ATOM 719 C ARG A 47 4.502 -8.642 5.878 1.00 0.00 C ATOM 720 O ARG A 47 3.900 -9.681 5.608 1.00 0.00 O ATOM 721 CB ARG A 47 5.994 -7.730 7.665 1.00 0.00 C ATOM 722 CG ARG A 47 6.948 -8.203 8.748 1.00 0.00 C ATOM 723 CD ARG A 47 6.855 -7.335 9.994 1.00 0.00 C ATOM 724 NE ARG A 47 8.169 -6.896 10.451 1.00 0.00 N ATOM 725 CZ ARG A 47 8.394 -6.337 11.638 1.00 0.00 C ATOM 726 NH1 ARG A 47 7.395 -6.151 12.492 1.00 0.00 N ATOM 727 NH2 ARG A 47 9.622 -5.963 11.972 1.00 0.00 N ATOM 0 H ARG A 47 6.818 -7.361 5.126 1.00 0.00 H new ATOM 0 HA ARG A 47 6.117 -9.696 6.813 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.313 -6.749 7.314 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.000 -7.607 8.096 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.722 -9.237 9.007 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.969 -8.186 8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.234 -6.464 9.784 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.362 -7.894 10.790 1.00 0.00 H new ATOM 0 HE ARG A 47 8.963 -7.025 9.824 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.449 -6.437 12.240 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.574 -5.722 13.400 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.393 -6.104 11.319 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.795 -5.535 12.881 1.00 0.00 H new ATOM 741 N GLY A 48 3.993 -7.432 5.669 1.00 0.00 N ATOM 742 CA GLY A 48 2.670 -7.278 5.101 1.00 0.00 C ATOM 743 C GLY A 48 2.213 -5.836 5.055 1.00 0.00 C ATOM 744 O GLY A 48 1.056 -5.547 5.351 1.00 0.00 O ATOM 0 H GLY A 48 4.473 -6.558 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.664 -7.688 4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.959 -7.861 5.686 1.00 0.00 H new ATOM 748 N PHE A 49 3.110 -4.926 4.684 1.00 0.00 N ATOM 749 CA PHE A 49 2.769 -3.513 4.602 1.00 0.00 C ATOM 750 C PHE A 49 3.458 -2.858 3.410 1.00 0.00 C ATOM 751 O PHE A 49 4.535 -3.285 2.994 1.00 0.00 O ATOM 752 CB PHE A 49 3.172 -2.821 5.905 1.00 0.00 C ATOM 753 CG PHE A 49 2.742 -3.600 7.110 1.00 0.00 C ATOM 754 CD1 PHE A 49 1.429 -4.005 7.231 1.00 0.00 C ATOM 755 CD2 PHE A 49 3.645 -3.959 8.098 1.00 0.00 C ATOM 756 CE1 PHE A 49 1.012 -4.751 8.308 1.00 0.00 C ATOM 757 CE2 PHE A 49 3.236 -4.710 9.184 1.00 0.00 C ATOM 758 CZ PHE A 49 1.915 -5.109 9.288 1.00 0.00 C ATOM 0 H PHE A 49 4.075 -5.143 4.436 1.00 0.00 H new ATOM 0 HA PHE A 49 1.693 -3.413 4.459 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.254 -2.689 5.926 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.729 -1.826 5.939 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.716 -3.731 6.467 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.677 -3.649 8.019 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.021 -5.056 8.387 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.946 -4.985 9.950 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.592 -5.699 10.133 1.00 0.00 H new ATOM 768 N ALA A 50 2.828 -1.825 2.855 1.00 0.00 N ATOM 769 CA ALA A 50 3.395 -1.130 1.704 1.00 0.00 C ATOM 770 C ALA A 50 2.900 0.310 1.605 1.00 0.00 C ATOM 771 O ALA A 50 2.022 0.734 2.357 1.00 0.00 O ATOM 772 CB ALA A 50 3.066 -1.888 0.426 1.00 0.00 C ATOM 0 H ALA A 50 1.935 -1.455 3.180 1.00 0.00 H new ATOM 0 HA ALA A 50 4.476 -1.094 1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.493 -1.363 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.485 -2.893 0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.984 -1.952 0.309 1.00 0.00 H new ATOM 778 N PHE A 51 3.473 1.051 0.660 1.00 0.00 N ATOM 779 CA PHE A 51 3.106 2.445 0.433 1.00 0.00 C ATOM 780 C PHE A 51 2.583 2.630 -0.990 1.00 0.00 C ATOM 781 O PHE A 51 3.225 2.202 -1.947 1.00 0.00 O ATOM 782 CB PHE A 51 4.316 3.357 0.658 1.00 0.00 C ATOM 783 CG PHE A 51 4.420 3.906 2.054 1.00 0.00 C ATOM 784 CD1 PHE A 51 3.624 4.964 2.458 1.00 0.00 C ATOM 785 CD2 PHE A 51 5.321 3.365 2.958 1.00 0.00 C ATOM 786 CE1 PHE A 51 3.724 5.476 3.738 1.00 0.00 C ATOM 787 CE2 PHE A 51 5.425 3.872 4.238 1.00 0.00 C ATOM 788 CZ PHE A 51 4.626 4.927 4.630 1.00 0.00 C ATOM 0 H PHE A 51 4.200 0.704 0.034 1.00 0.00 H new ATOM 0 HA PHE A 51 2.321 2.713 1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.225 2.800 0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.266 4.188 -0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.916 5.394 1.765 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.948 2.538 2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.099 6.303 4.040 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.132 3.443 4.933 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.705 5.323 5.632 1.00 0.00 H new ATOM 798 N VAL A 52 1.424 3.268 -1.131 1.00 0.00 N ATOM 799 CA VAL A 52 0.839 3.502 -2.450 1.00 0.00 C ATOM 800 C VAL A 52 0.835 4.992 -2.784 1.00 0.00 C ATOM 801 O VAL A 52 0.363 5.811 -1.995 1.00 0.00 O ATOM 802 CB VAL A 52 -0.600 2.950 -2.542 1.00 0.00 C ATOM 803 CG1 VAL A 52 -1.092 2.971 -3.982 1.00 0.00 C ATOM 804 CG2 VAL A 52 -0.670 1.539 -1.975 1.00 0.00 C ATOM 0 H VAL A 52 0.873 3.631 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 52 1.458 2.971 -3.173 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.250 3.592 -1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.108 2.578 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.083 3.995 -4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.438 2.355 -4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.692 1.168 -2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.005 0.886 -2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.363 1.552 -0.929 1.00 0.00 H new ATOM 814 N GLU A 53 1.364 5.340 -3.958 1.00 0.00 N ATOM 815 CA GLU A 53 1.423 6.729 -4.391 1.00 0.00 C ATOM 816 C GLU A 53 0.557 6.920 -5.626 1.00 0.00 C ATOM 817 O GLU A 53 0.568 6.092 -6.532 1.00 0.00 O ATOM 818 CB GLU A 53 2.879 7.128 -4.678 1.00 0.00 C ATOM 819 CG GLU A 53 3.042 8.416 -5.476 1.00 0.00 C ATOM 820 CD GLU A 53 3.754 9.504 -4.696 1.00 0.00 C ATOM 821 OE1 GLU A 53 4.759 9.193 -4.025 1.00 0.00 O ATOM 822 OE2 GLU A 53 3.305 10.669 -4.759 1.00 0.00 O ATOM 0 H GLU A 53 1.757 4.675 -4.624 1.00 0.00 H new ATOM 0 HA GLU A 53 1.042 7.372 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.405 7.235 -3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.363 6.317 -5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.600 8.205 -6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.059 8.777 -5.780 1.00 0.00 H new ATOM 829 N PHE A 54 -0.202 8.005 -5.654 1.00 0.00 N ATOM 830 CA PHE A 54 -1.080 8.283 -6.772 1.00 0.00 C ATOM 831 C PHE A 54 -0.626 9.514 -7.538 1.00 0.00 C ATOM 832 O PHE A 54 0.095 10.361 -7.012 1.00 0.00 O ATOM 833 CB PHE A 54 -2.511 8.474 -6.274 1.00 0.00 C ATOM 834 CG PHE A 54 -3.118 7.221 -5.714 1.00 0.00 C ATOM 835 CD1 PHE A 54 -2.595 6.630 -4.575 1.00 0.00 C ATOM 836 CD2 PHE A 54 -4.208 6.635 -6.328 1.00 0.00 C ATOM 837 CE1 PHE A 54 -3.155 5.476 -4.059 1.00 0.00 C ATOM 838 CE2 PHE A 54 -4.773 5.481 -5.817 1.00 0.00 C ATOM 839 CZ PHE A 54 -4.246 4.902 -4.682 1.00 0.00 C ATOM 0 H PHE A 54 -0.225 8.706 -4.913 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.043 7.432 -7.452 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.521 9.248 -5.507 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.130 8.833 -7.097 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.741 7.075 -4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.624 7.084 -7.218 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.740 5.024 -3.170 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.626 5.034 -6.306 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.686 4.001 -4.281 1.00 0.00 H new ATOM 849 N GLU A 55 -1.071 9.605 -8.778 1.00 0.00 N ATOM 850 CA GLU A 55 -0.738 10.736 -9.631 1.00 0.00 C ATOM 851 C GLU A 55 -1.578 11.938 -9.232 1.00 0.00 C ATOM 852 O GLU A 55 -1.151 13.085 -9.351 1.00 0.00 O ATOM 853 CB GLU A 55 -0.987 10.385 -11.101 1.00 0.00 C ATOM 854 CG GLU A 55 -0.141 11.190 -12.075 1.00 0.00 C ATOM 855 CD GLU A 55 -0.927 11.652 -13.287 1.00 0.00 C ATOM 856 OE1 GLU A 55 -1.050 10.868 -14.250 1.00 0.00 O ATOM 857 OE2 GLU A 55 -1.420 12.800 -13.272 1.00 0.00 O ATOM 0 H GLU A 55 -1.667 8.906 -9.221 1.00 0.00 H new ATOM 0 HA GLU A 55 0.318 10.977 -9.507 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.787 9.324 -11.251 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.040 10.546 -11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.271 12.059 -11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.703 10.584 -12.404 1.00 0.00 H new ATOM 864 N LEU A 56 -2.786 11.650 -8.759 1.00 0.00 N ATOM 865 CA LEU A 56 -3.716 12.687 -8.337 1.00 0.00 C ATOM 866 C LEU A 56 -3.956 12.614 -6.834 1.00 0.00 C ATOM 867 O LEU A 56 -4.420 11.596 -6.317 1.00 0.00 O ATOM 868 CB LEU A 56 -5.036 12.523 -9.087 1.00 0.00 C ATOM 869 CG LEU A 56 -4.947 12.693 -10.603 1.00 0.00 C ATOM 870 CD1 LEU A 56 -6.270 12.327 -11.258 1.00 0.00 C ATOM 871 CD2 LEU A 56 -4.551 14.118 -10.958 1.00 0.00 C ATOM 0 H LEU A 56 -3.144 10.700 -8.659 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.286 13.662 -8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.438 11.533 -8.871 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.750 13.249 -8.697 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.178 12.019 -10.981 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.189 12.454 -12.338 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.513 11.289 -11.032 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.058 12.976 -10.875 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.493 14.220 -12.042 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.297 14.811 -10.568 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.580 14.346 -10.519 1.00 0.00 H new ATOM 883 N ALA A 57 -3.633 13.698 -6.134 1.00 0.00 N ATOM 884 CA ALA A 57 -3.809 13.756 -4.688 1.00 0.00 C ATOM 885 C ALA A 57 -5.259 13.487 -4.293 1.00 0.00 C ATOM 886 O ALA A 57 -5.527 12.867 -3.264 1.00 0.00 O ATOM 887 CB ALA A 57 -3.353 15.109 -4.158 1.00 0.00 C ATOM 0 H ALA A 57 -3.248 14.548 -6.546 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.194 12.975 -4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.489 15.141 -3.077 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.300 15.257 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.944 15.899 -4.622 1.00 0.00 H new ATOM 893 N GLU A 58 -6.189 13.958 -5.117 1.00 0.00 N ATOM 894 CA GLU A 58 -7.610 13.769 -4.852 1.00 0.00 C ATOM 895 C GLU A 58 -8.017 12.316 -5.079 1.00 0.00 C ATOM 896 O GLU A 58 -8.928 11.805 -4.427 1.00 0.00 O ATOM 897 CB GLU A 58 -8.446 14.688 -5.747 1.00 0.00 C ATOM 898 CG GLU A 58 -7.947 16.124 -5.785 1.00 0.00 C ATOM 899 CD GLU A 58 -7.941 16.702 -7.188 1.00 0.00 C ATOM 900 OE1 GLU A 58 -9.011 17.160 -7.645 1.00 0.00 O ATOM 901 OE2 GLU A 58 -6.870 16.697 -7.830 1.00 0.00 O ATOM 0 H GLU A 58 -5.984 14.473 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.795 14.023 -3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.450 14.287 -6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.478 14.681 -5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.577 16.741 -5.144 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.938 16.165 -5.375 1.00 0.00 H new ATOM 908 N ASP A 59 -7.335 11.656 -6.008 1.00 0.00 N ATOM 909 CA ASP A 59 -7.622 10.262 -6.325 1.00 0.00 C ATOM 910 C ASP A 59 -7.288 9.352 -5.151 1.00 0.00 C ATOM 911 O ASP A 59 -7.991 8.373 -4.893 1.00 0.00 O ATOM 912 CB ASP A 59 -6.840 9.822 -7.559 1.00 0.00 C ATOM 913 CG ASP A 59 -7.526 10.216 -8.852 1.00 0.00 C ATOM 914 OD1 ASP A 59 -7.953 11.384 -8.965 1.00 0.00 O ATOM 915 OD2 ASP A 59 -7.635 9.357 -9.752 1.00 0.00 O ATOM 0 H ASP A 59 -6.578 12.065 -6.556 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.689 10.182 -6.532 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.844 10.264 -7.531 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.709 8.740 -7.536 1.00 0.00 H new ATOM 920 N ALA A 60 -6.204 9.668 -4.449 1.00 0.00 N ATOM 921 CA ALA A 60 -5.775 8.861 -3.315 1.00 0.00 C ATOM 922 C ALA A 60 -6.869 8.775 -2.258 1.00 0.00 C ATOM 923 O ALA A 60 -7.122 7.706 -1.706 1.00 0.00 O ATOM 924 CB ALA A 60 -4.499 9.433 -2.711 1.00 0.00 C ATOM 0 H ALA A 60 -5.610 10.474 -4.645 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.573 7.852 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.190 8.820 -1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.710 9.437 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.682 10.453 -2.372 1.00 0.00 H new ATOM 930 N ALA A 61 -7.539 9.894 -1.996 1.00 0.00 N ATOM 931 CA ALA A 61 -8.619 9.919 -1.015 1.00 0.00 C ATOM 932 C ALA A 61 -9.640 8.834 -1.333 1.00 0.00 C ATOM 933 O ALA A 61 -10.234 8.235 -0.435 1.00 0.00 O ATOM 934 CB ALA A 61 -9.281 11.287 -0.986 1.00 0.00 C ATOM 0 H ALA A 61 -7.354 10.790 -2.447 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.200 9.724 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.084 11.287 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.543 12.043 -0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.692 11.513 -1.970 1.00 0.00 H new ATOM 940 N ALA A 62 -9.822 8.577 -2.621 1.00 0.00 N ATOM 941 CA ALA A 62 -10.753 7.551 -3.070 1.00 0.00 C ATOM 942 C ALA A 62 -10.224 6.175 -2.691 1.00 0.00 C ATOM 943 O ALA A 62 -10.955 5.352 -2.147 1.00 0.00 O ATOM 944 CB ALA A 62 -10.971 7.652 -4.575 1.00 0.00 C ATOM 0 H ALA A 62 -9.337 9.065 -3.374 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.715 7.703 -2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.669 6.878 -4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.380 8.633 -4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.020 7.517 -5.090 1.00 0.00 H new ATOM 950 N ALA A 63 -8.931 5.951 -2.937 1.00 0.00 N ATOM 951 CA ALA A 63 -8.293 4.690 -2.575 1.00 0.00 C ATOM 952 C ALA A 63 -8.345 4.534 -1.067 1.00 0.00 C ATOM 953 O ALA A 63 -8.528 3.438 -0.539 1.00 0.00 O ATOM 954 CB ALA A 63 -6.853 4.656 -3.069 1.00 0.00 C ATOM 0 H ALA A 63 -8.310 6.626 -3.384 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.823 3.863 -3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.395 3.708 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.838 4.760 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.294 5.476 -2.618 1.00 0.00 H new ATOM 960 N ILE A 64 -8.196 5.661 -0.390 1.00 0.00 N ATOM 961 CA ILE A 64 -8.234 5.713 1.056 1.00 0.00 C ATOM 962 C ILE A 64 -9.609 5.313 1.573 1.00 0.00 C ATOM 963 O ILE A 64 -9.731 4.443 2.426 1.00 0.00 O ATOM 964 CB ILE A 64 -7.927 7.144 1.534 1.00 0.00 C ATOM 965 CG1 ILE A 64 -6.484 7.519 1.199 1.00 0.00 C ATOM 966 CG2 ILE A 64 -8.185 7.304 3.033 1.00 0.00 C ATOM 967 CD1 ILE A 64 -6.105 8.920 1.630 1.00 0.00 C ATOM 0 H ILE A 64 -8.045 6.567 -0.833 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.488 5.018 1.441 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.600 7.821 1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.812 6.807 1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.334 7.426 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.957 8.327 3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.231 7.087 3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -7.550 6.613 3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.067 9.116 1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.752 9.642 1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.222 9.013 2.710 1.00 0.00 H new ATOM 979 N ASP A 65 -10.637 5.975 1.055 1.00 0.00 N ATOM 980 CA ASP A 65 -12.010 5.716 1.472 1.00 0.00 C ATOM 981 C ASP A 65 -12.553 4.420 0.879 1.00 0.00 C ATOM 982 O ASP A 65 -13.540 3.875 1.371 1.00 0.00 O ATOM 983 CB ASP A 65 -12.907 6.883 1.063 1.00 0.00 C ATOM 984 CG ASP A 65 -12.862 8.025 2.060 1.00 0.00 C ATOM 985 OD1 ASP A 65 -13.645 7.995 3.032 1.00 0.00 O ATOM 986 OD2 ASP A 65 -12.041 8.946 1.869 1.00 0.00 O ATOM 0 H ASP A 65 -10.545 6.699 0.342 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.008 5.610 2.557 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.599 7.248 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.934 6.531 0.964 1.00 0.00 H new ATOM 991 N ASN A 66 -11.921 3.933 -0.183 1.00 0.00 N ATOM 992 CA ASN A 66 -12.385 2.701 -0.827 1.00 0.00 C ATOM 993 C ASN A 66 -11.655 1.470 -0.298 1.00 0.00 C ATOM 994 O ASN A 66 -12.223 0.379 -0.252 1.00 0.00 O ATOM 995 CB ASN A 66 -12.231 2.783 -2.351 1.00 0.00 C ATOM 996 CG ASN A 66 -13.498 3.267 -3.034 1.00 0.00 C ATOM 997 OD1 ASN A 66 -14.562 3.335 -2.418 1.00 0.00 O ATOM 998 ND2 ASN A 66 -13.391 3.607 -4.313 1.00 0.00 N ATOM 0 H ASN A 66 -11.101 4.360 -0.613 1.00 0.00 H new ATOM 0 HA ASN A 66 -13.442 2.598 -0.582 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.410 3.457 -2.595 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.964 1.801 -2.740 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -14.210 3.940 -4.822 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.490 3.536 -4.786 1.00 0.00 H new ATOM 1005 N MET A 67 -10.394 1.634 0.084 1.00 0.00 N ATOM 1006 CA MET A 67 -9.608 0.512 0.586 1.00 0.00 C ATOM 1007 C MET A 67 -9.521 0.502 2.115 1.00 0.00 C ATOM 1008 O MET A 67 -9.154 -0.511 2.710 1.00 0.00 O ATOM 1009 CB MET A 67 -8.204 0.531 -0.025 1.00 0.00 C ATOM 1010 CG MET A 67 -7.751 -0.823 -0.546 1.00 0.00 C ATOM 1011 SD MET A 67 -8.591 -1.295 -2.071 1.00 0.00 S ATOM 1012 CE MET A 67 -7.917 -2.931 -2.348 1.00 0.00 C ATOM 0 H MET A 67 -9.897 2.524 0.057 1.00 0.00 H new ATOM 0 HA MET A 67 -10.121 -0.402 0.285 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.182 1.252 -0.842 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.494 0.878 0.726 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.675 -0.800 -0.720 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.934 -1.581 0.215 1.00 0.00 H new ATOM 0 HE1 MET A 67 -7.720 -3.068 -3.411 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.988 -3.041 -1.789 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.633 -3.681 -2.012 1.00 0.00 H new ATOM 1022 N ASN A 68 -9.856 1.622 2.756 1.00 0.00 N ATOM 1023 CA ASN A 68 -9.803 1.703 4.219 1.00 0.00 C ATOM 1024 C ASN A 68 -10.539 0.531 4.859 1.00 0.00 C ATOM 1025 O ASN A 68 -11.763 0.435 4.774 1.00 0.00 O ATOM 1026 CB ASN A 68 -10.401 3.019 4.728 1.00 0.00 C ATOM 1027 CG ASN A 68 -9.495 3.715 5.723 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -9.208 4.905 5.596 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -9.038 2.971 6.724 1.00 0.00 N ATOM 0 H ASN A 68 -10.164 2.477 2.293 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.752 1.663 4.503 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.586 3.682 3.883 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.366 2.821 5.195 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.423 3.383 7.426 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.302 1.988 6.790 1.00 0.00 H new ATOM 1036 N GLU A 69 -9.787 -0.352 5.502 1.00 0.00 N ATOM 1037 CA GLU A 69 -10.367 -1.516 6.160 1.00 0.00 C ATOM 1038 C GLU A 69 -11.060 -2.423 5.150 1.00 0.00 C ATOM 1039 O GLU A 69 -12.129 -2.969 5.421 1.00 0.00 O ATOM 1040 CB GLU A 69 -11.355 -1.076 7.243 1.00 0.00 C ATOM 1041 CG GLU A 69 -10.718 -0.235 8.337 1.00 0.00 C ATOM 1042 CD GLU A 69 -11.735 0.576 9.115 1.00 0.00 C ATOM 1043 OE1 GLU A 69 -12.834 0.047 9.386 1.00 0.00 O ATOM 1044 OE2 GLU A 69 -11.434 1.740 9.455 1.00 0.00 O ATOM 0 H GLU A 69 -8.772 -0.285 5.582 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.560 -2.080 6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.160 -0.506 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.808 -1.960 7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.177 -0.887 9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.985 0.438 7.892 1.00 0.00 H new ATOM 1051 N SER A 70 -10.440 -2.583 3.986 1.00 0.00 N ATOM 1052 CA SER A 70 -10.992 -3.428 2.935 1.00 0.00 C ATOM 1053 C SER A 70 -10.472 -4.854 3.070 1.00 0.00 C ATOM 1054 O SER A 70 -9.875 -5.211 4.084 1.00 0.00 O ATOM 1055 CB SER A 70 -10.632 -2.870 1.557 1.00 0.00 C ATOM 1056 OG SER A 70 -11.593 -3.245 0.586 1.00 0.00 O ATOM 0 H SER A 70 -9.554 -2.138 3.747 1.00 0.00 H new ATOM 0 HA SER A 70 -12.077 -3.438 3.038 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.567 -1.783 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.649 -3.235 1.259 1.00 0.00 H new ATOM 0 HG SER A 70 -11.340 -2.874 -0.285 1.00 0.00 H new ATOM 1062 N GLU A 71 -10.703 -5.666 2.044 1.00 0.00 N ATOM 1063 CA GLU A 71 -10.254 -7.054 2.054 1.00 0.00 C ATOM 1064 C GLU A 71 -9.439 -7.377 0.806 1.00 0.00 C ATOM 1065 O GLU A 71 -9.896 -7.173 -0.319 1.00 0.00 O ATOM 1066 CB GLU A 71 -11.456 -7.997 2.155 1.00 0.00 C ATOM 1067 CG GLU A 71 -11.193 -9.226 3.011 1.00 0.00 C ATOM 1068 CD GLU A 71 -12.421 -10.099 3.172 1.00 0.00 C ATOM 1069 OE1 GLU A 71 -13.385 -9.652 3.830 1.00 0.00 O ATOM 1070 OE2 GLU A 71 -12.420 -11.229 2.640 1.00 0.00 O ATOM 0 H GLU A 71 -11.198 -5.388 1.196 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.614 -7.196 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.303 -7.450 2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.742 -8.316 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.392 -9.812 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.844 -8.911 3.995 1.00 0.00 H new ATOM 1077 N LEU A 72 -8.229 -7.887 1.015 1.00 0.00 N ATOM 1078 CA LEU A 72 -7.347 -8.247 -0.090 1.00 0.00 C ATOM 1079 C LEU A 72 -6.634 -9.559 0.209 1.00 0.00 C ATOM 1080 O LEU A 72 -5.996 -9.701 1.252 1.00 0.00 O ATOM 1081 CB LEU A 72 -6.325 -7.135 -0.341 1.00 0.00 C ATOM 1082 CG LEU A 72 -5.854 -7.003 -1.793 1.00 0.00 C ATOM 1083 CD1 LEU A 72 -6.910 -6.304 -2.642 1.00 0.00 C ATOM 1084 CD2 LEU A 72 -4.526 -6.257 -1.856 1.00 0.00 C ATOM 0 H LEU A 72 -7.837 -8.060 1.940 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.951 -8.374 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.760 -6.186 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.456 -7.312 0.292 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.704 -8.004 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.555 -6.221 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.833 -6.883 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.098 -5.308 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.205 -6.172 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.648 -5.261 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.774 -6.804 -1.288 1.00 0.00 H new ATOM 1096 N PHE A 73 -6.757 -10.520 -0.699 1.00 0.00 N ATOM 1097 CA PHE A 73 -6.130 -11.822 -0.507 1.00 0.00 C ATOM 1098 C PHE A 73 -6.633 -12.455 0.785 1.00 0.00 C ATOM 1099 O PHE A 73 -5.884 -13.123 1.498 1.00 0.00 O ATOM 1100 CB PHE A 73 -4.607 -11.680 -0.460 1.00 0.00 C ATOM 1101 CG PHE A 73 -4.010 -11.180 -1.744 1.00 0.00 C ATOM 1102 CD1 PHE A 73 -3.959 -11.992 -2.864 1.00 0.00 C ATOM 1103 CD2 PHE A 73 -3.497 -9.895 -1.830 1.00 0.00 C ATOM 1104 CE1 PHE A 73 -3.407 -11.535 -4.045 1.00 0.00 C ATOM 1105 CE2 PHE A 73 -2.944 -9.432 -3.006 1.00 0.00 C ATOM 1106 CZ PHE A 73 -2.898 -10.252 -4.116 1.00 0.00 C ATOM 0 H PHE A 73 -7.281 -10.424 -1.569 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.395 -12.464 -1.347 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.339 -10.997 0.346 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.168 -12.647 -0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.356 -12.995 -2.814 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.531 -9.248 -0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.373 -12.179 -4.911 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.547 -8.429 -3.058 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.465 -9.892 -5.038 1.00 0.00 H new ATOM 1116 N GLY A 74 -7.907 -12.222 1.084 1.00 0.00 N ATOM 1117 CA GLY A 74 -8.497 -12.758 2.293 1.00 0.00 C ATOM 1118 C GLY A 74 -7.952 -12.091 3.543 1.00 0.00 C ATOM 1119 O GLY A 74 -8.033 -12.647 4.638 1.00 0.00 O ATOM 0 H GLY A 74 -8.542 -11.670 0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.579 -12.627 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.307 -13.830 2.343 1.00 0.00 H new ATOM 1123 N ARG A 75 -7.384 -10.896 3.376 1.00 0.00 N ATOM 1124 CA ARG A 75 -6.812 -10.156 4.494 1.00 0.00 C ATOM 1125 C ARG A 75 -7.379 -8.745 4.578 1.00 0.00 C ATOM 1126 O ARG A 75 -7.632 -8.100 3.563 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.290 -10.086 4.358 1.00 0.00 C ATOM 1128 CG ARG A 75 -4.653 -11.406 3.955 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.809 -11.982 5.077 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.345 -13.334 4.776 1.00 0.00 N ATOM 1131 CZ ARG A 75 -2.657 -14.089 5.629 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -2.351 -13.628 6.837 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -2.274 -15.308 5.275 1.00 0.00 N ATOM 0 H ARG A 75 -7.309 -10.422 2.476 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.075 -10.687 5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.034 -9.328 3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.863 -9.761 5.307 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.431 -12.118 3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.033 -11.257 3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.950 -11.335 5.253 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.392 -11.996 5.998 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.561 -13.722 3.858 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.644 -12.691 7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.823 -14.211 7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.507 -15.667 4.349 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.747 -15.887 5.929 1.00 0.00 H new ATOM 1147 N THR A 76 -7.559 -8.272 5.804 1.00 0.00 N ATOM 1148 CA THR A 76 -8.079 -6.933 6.044 1.00 0.00 C ATOM 1149 C THR A 76 -6.941 -5.922 6.053 1.00 0.00 C ATOM 1150 O THR A 76 -6.012 -6.030 6.854 1.00 0.00 O ATOM 1151 CB THR A 76 -8.836 -6.884 7.373 1.00 0.00 C ATOM 1152 OG1 THR A 76 -9.688 -8.007 7.504 1.00 0.00 O ATOM 1153 CG2 THR A 76 -9.686 -5.644 7.532 1.00 0.00 C ATOM 0 H THR A 76 -7.351 -8.799 6.652 1.00 0.00 H new ATOM 0 HA THR A 76 -8.770 -6.680 5.240 1.00 0.00 H new ATOM 0 HB THR A 76 -8.066 -6.878 8.145 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.162 -7.960 8.360 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.195 -5.673 8.495 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.051 -4.759 7.483 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.425 -5.605 6.732 1.00 0.00 H new ATOM 1161 N ILE A 77 -7.005 -4.945 5.153 1.00 0.00 N ATOM 1162 CA ILE A 77 -5.971 -3.927 5.057 1.00 0.00 C ATOM 1163 C ILE A 77 -6.492 -2.554 5.467 1.00 0.00 C ATOM 1164 O ILE A 77 -7.695 -2.299 5.451 1.00 0.00 O ATOM 1165 CB ILE A 77 -5.402 -3.835 3.627 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -6.513 -3.533 2.621 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -4.687 -5.126 3.257 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -6.033 -2.776 1.402 1.00 0.00 C ATOM 0 H ILE A 77 -7.764 -4.839 4.480 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.179 -4.228 5.743 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.682 -3.017 3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.968 -4.471 2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.292 -2.953 3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.291 -5.045 2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.868 -5.301 3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.389 -5.958 3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.873 -2.596 0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.605 -1.823 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.275 -3.363 0.884 1.00 0.00 H new ATOM 1180 N ARG A 78 -5.567 -1.675 5.825 1.00 0.00 N ATOM 1181 CA ARG A 78 -5.900 -0.314 6.237 1.00 0.00 C ATOM 1182 C ARG A 78 -5.092 0.700 5.437 1.00 0.00 C ATOM 1183 O ARG A 78 -3.892 0.522 5.241 1.00 0.00 O ATOM 1184 CB ARG A 78 -5.627 -0.124 7.730 1.00 0.00 C ATOM 1185 CG ARG A 78 -6.716 -0.686 8.627 1.00 0.00 C ATOM 1186 CD ARG A 78 -6.141 -1.253 9.914 1.00 0.00 C ATOM 1187 NE ARG A 78 -7.144 -1.338 10.973 1.00 0.00 N ATOM 1188 CZ ARG A 78 -7.436 -0.340 11.804 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -6.814 0.829 11.704 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -8.361 -0.511 12.740 1.00 0.00 N ATOM 0 H ARG A 78 -4.568 -1.881 5.839 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.961 -0.153 6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.680 -0.602 7.981 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.512 0.940 7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.435 0.099 8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.260 -1.467 8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.732 -2.245 9.722 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.314 -0.627 10.248 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.652 -2.216 11.082 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.104 0.969 10.985 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.046 1.587 12.346 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.846 -1.405 12.821 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.587 0.251 13.379 1.00 0.00 H new ATOM 1204 N VAL A 79 -5.749 1.761 4.978 1.00 0.00 N ATOM 1205 CA VAL A 79 -5.072 2.790 4.196 1.00 0.00 C ATOM 1206 C VAL A 79 -5.095 4.136 4.913 1.00 0.00 C ATOM 1207 O VAL A 79 -5.997 4.413 5.703 1.00 0.00 O ATOM 1208 CB VAL A 79 -5.720 2.929 2.800 1.00 0.00 C ATOM 1209 CG1 VAL A 79 -5.085 4.062 2.002 1.00 0.00 C ATOM 1210 CG2 VAL A 79 -5.606 1.616 2.047 1.00 0.00 C ATOM 0 H VAL A 79 -6.743 1.930 5.133 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.033 2.481 4.077 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.774 3.174 2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.564 4.132 1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.215 5.002 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.021 3.863 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.064 1.720 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.555 1.353 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.117 0.831 2.605 1.00 0.00 H new ATOM 1220 N ASN A 80 -4.089 4.967 4.640 1.00 0.00 N ATOM 1221 CA ASN A 80 -3.991 6.278 5.270 1.00 0.00 C ATOM 1222 C ASN A 80 -3.156 7.239 4.428 1.00 0.00 C ATOM 1223 O ASN A 80 -2.393 6.814 3.566 1.00 0.00 O ATOM 1224 CB ASN A 80 -3.388 6.147 6.672 1.00 0.00 C ATOM 1225 CG ASN A 80 -4.159 6.937 7.710 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -4.339 8.147 7.580 1.00 0.00 O ATOM 1227 ND2 ASN A 80 -4.622 6.252 8.751 1.00 0.00 N ATOM 0 H ASN A 80 -3.334 4.754 3.988 1.00 0.00 H new ATOM 0 HA ASN A 80 -4.998 6.688 5.349 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.370 5.096 6.960 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.354 6.490 6.653 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.150 6.729 9.482 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.450 5.249 8.819 1.00 0.00 H new ATOM 1234 N LEU A 81 -3.308 8.536 4.691 1.00 0.00 N ATOM 1235 CA LEU A 81 -2.565 9.560 3.961 1.00 0.00 C ATOM 1236 C LEU A 81 -1.378 10.061 4.779 1.00 0.00 C ATOM 1237 O LEU A 81 -1.545 10.844 5.715 1.00 0.00 O ATOM 1238 CB LEU A 81 -3.477 10.739 3.605 1.00 0.00 C ATOM 1239 CG LEU A 81 -4.300 11.302 4.772 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -3.956 12.767 5.014 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -5.794 11.140 4.513 1.00 0.00 C ATOM 0 H LEU A 81 -3.939 8.902 5.404 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.192 9.107 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.864 11.541 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.161 10.424 2.817 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.047 10.735 5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.550 13.148 5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.897 12.857 5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.175 13.345 4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.355 11.547 5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.066 11.675 3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.030 10.082 4.396 1.00 0.00 H new ATOM 1253 N ALA A 82 -0.183 9.609 4.419 1.00 0.00 N ATOM 1254 CA ALA A 82 1.029 10.015 5.120 1.00 0.00 C ATOM 1255 C ALA A 82 1.562 11.335 4.571 1.00 0.00 C ATOM 1256 O ALA A 82 1.097 11.824 3.542 1.00 0.00 O ATOM 1257 CB ALA A 82 2.088 8.926 5.013 1.00 0.00 C ATOM 0 H ALA A 82 -0.027 8.962 3.646 1.00 0.00 H new ATOM 0 HA ALA A 82 0.783 10.163 6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.988 9.241 5.540 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.710 8.006 5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.325 8.751 3.964 1.00 0.00 H new ATOM 1263 N LYS A 83 2.541 11.909 5.264 1.00 0.00 N ATOM 1264 CA LYS A 83 3.135 13.174 4.843 1.00 0.00 C ATOM 1265 C LYS A 83 4.581 13.281 5.320 1.00 0.00 C ATOM 1266 O LYS A 83 5.251 12.271 5.541 1.00 0.00 O ATOM 1267 CB LYS A 83 2.313 14.352 5.377 1.00 0.00 C ATOM 1268 CG LYS A 83 1.644 15.171 4.286 1.00 0.00 C ATOM 1269 CD LYS A 83 2.636 16.087 3.588 1.00 0.00 C ATOM 1270 CE LYS A 83 2.147 16.489 2.206 1.00 0.00 C ATOM 1271 NZ LYS A 83 2.755 17.771 1.754 1.00 0.00 N ATOM 0 H LYS A 83 2.939 11.519 6.118 1.00 0.00 H new ATOM 0 HA LYS A 83 3.130 13.206 3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.549 13.973 6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.963 15.003 5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.189 14.502 3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.840 15.766 4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.796 16.980 4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.599 15.584 3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.388 15.701 1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.061 16.586 2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.004 18.424 1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.289 18.197 2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.397 17.589 0.957 1.00 0.00 H new TER 1285 LYS A 83