USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 625 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 60 ASN : amide:sc= 0.613 K(o=1.1,f=-1.1) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.53 K(o=1.1,f=-0.51) USER MOD Set 2.1: A 22 THR OG1 : rot 70:sc= 0.452 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.479 K(o=0.93,f=-0.021) USER MOD Set 3.1: A 7 THR OG1 : rot 122:sc= 1.7 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.992 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.723 (180deg=-1.18) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.18) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.835 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0172 K(o=-0.017,f=-2.2!) USER MOD Single : A 41 ASN : amide:sc= 0.946 K(o=0.95,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.295 X(o=0.29,f=-0.015) USER MOD Single : A 55 THR OG1 : rot -63:sc= 1.23 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 175:sc= 0.048 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -122:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0525 X(o=-0.053,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.792 -5.184 -0.166 1.00 0.00 N ATOM 2 CA MET A 1 13.850 -4.306 0.534 1.00 0.00 C ATOM 3 C MET A 1 12.457 -4.801 0.244 1.00 0.00 C ATOM 4 O MET A 1 11.994 -4.706 -0.891 1.00 0.00 O ATOM 5 CB MET A 1 13.987 -2.835 0.117 1.00 0.00 C ATOM 6 CG MET A 1 12.948 -1.946 0.815 1.00 0.00 C ATOM 7 SD MET A 1 12.941 -0.223 0.266 1.00 0.00 S ATOM 8 CE MET A 1 12.069 0.542 1.652 1.00 0.00 C ATOM 0 H1 MET A 1 15.765 -4.865 0.017 1.00 0.00 H new ATOM 0 H2 MET A 1 14.677 -6.159 0.176 1.00 0.00 H new ATOM 0 H3 MET A 1 14.603 -5.151 -1.188 1.00 0.00 H new ATOM 0 HA MET A 1 14.068 -4.341 1.601 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.989 -2.481 0.358 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.870 -2.751 -0.963 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.957 -2.370 0.651 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.131 -1.971 1.889 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.835 1.578 1.407 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.145 -0.003 1.846 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.701 0.513 2.540 1.00 0.00 H new ATOM 18 N GLN A 2 11.814 -5.397 1.236 1.00 0.00 N ATOM 19 CA GLN A 2 10.457 -5.872 1.095 1.00 0.00 C ATOM 20 C GLN A 2 9.617 -5.162 2.150 1.00 0.00 C ATOM 21 O GLN A 2 10.160 -4.625 3.115 1.00 0.00 O ATOM 22 CB GLN A 2 10.390 -7.408 1.101 1.00 0.00 C ATOM 23 CG GLN A 2 10.965 -8.081 2.356 1.00 0.00 C ATOM 24 CD GLN A 2 10.507 -9.538 2.480 1.00 0.00 C ATOM 25 OE1 GLN A 2 10.315 -10.249 1.494 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.374 -10.043 3.699 1.00 0.00 N ATOM 0 H GLN A 2 12.221 -5.562 2.156 1.00 0.00 H new ATOM 0 HA GLN A 2 10.035 -5.621 0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.349 -7.711 0.990 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.926 -7.783 0.229 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.054 -8.044 2.322 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.655 -7.526 3.241 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.533 -9.453 4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.112 -11.021 3.820 1.00 0.00 H new ATOM 35 N ILE A 3 8.312 -5.060 1.938 1.00 0.00 N ATOM 36 CA ILE A 3 7.400 -4.438 2.889 1.00 0.00 C ATOM 37 C ILE A 3 6.217 -5.385 3.061 1.00 0.00 C ATOM 38 O ILE A 3 6.031 -6.320 2.271 1.00 0.00 O ATOM 39 CB ILE A 3 6.998 -3.013 2.438 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.283 -3.014 1.066 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.236 -2.095 2.440 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.648 -1.667 0.702 1.00 0.00 C ATOM 0 H ILE A 3 7.853 -5.409 1.096 1.00 0.00 H new ATOM 0 HA ILE A 3 7.877 -4.290 3.858 1.00 0.00 H new ATOM 0 HB ILE A 3 6.275 -2.621 3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.000 -3.289 0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.509 -3.781 1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.947 -1.093 2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.654 -2.050 3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.984 -2.492 1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.165 -1.744 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.906 -1.399 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.420 -0.899 0.665 1.00 0.00 H new ATOM 54 N PHE A 4 5.390 -5.122 4.063 1.00 0.00 N ATOM 55 CA PHE A 4 4.213 -5.891 4.384 1.00 0.00 C ATOM 56 C PHE A 4 3.001 -4.994 4.198 1.00 0.00 C ATOM 57 O PHE A 4 3.083 -3.780 4.392 1.00 0.00 O ATOM 58 CB PHE A 4 4.226 -6.415 5.830 1.00 0.00 C ATOM 59 CG PHE A 4 5.313 -7.387 6.248 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.517 -8.595 5.550 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.088 -7.112 7.393 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.494 -9.507 5.983 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.058 -8.030 7.830 1.00 0.00 C ATOM 64 CZ PHE A 4 7.266 -9.226 7.124 1.00 0.00 C ATOM 0 H PHE A 4 5.533 -4.334 4.695 1.00 0.00 H new ATOM 0 HA PHE A 4 4.183 -6.758 3.725 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.283 -5.552 6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.265 -6.896 6.015 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.920 -8.820 4.679 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.936 -6.191 7.937 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.652 -10.426 5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.645 -7.815 8.711 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.017 -9.928 7.456 1.00 0.00 H new ATOM 74 N VAL A 5 1.860 -5.582 3.854 1.00 0.00 N ATOM 75 CA VAL A 5 0.619 -4.847 3.665 1.00 0.00 C ATOM 76 C VAL A 5 -0.479 -5.683 4.311 1.00 0.00 C ATOM 77 O VAL A 5 -0.596 -6.871 4.024 1.00 0.00 O ATOM 78 CB VAL A 5 0.342 -4.546 2.173 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.838 -3.571 2.058 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.547 -3.935 1.435 1.00 0.00 C ATOM 0 H VAL A 5 1.772 -6.586 3.698 1.00 0.00 H new ATOM 0 HA VAL A 5 0.672 -3.865 4.134 1.00 0.00 H new ATOM 0 HB VAL A 5 0.121 -5.505 1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.033 -3.359 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.724 -4.018 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.595 -2.643 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.281 -3.750 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.826 -2.995 1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.388 -4.627 1.477 1.00 0.00 H new ATOM 90 N LYS A 6 -1.241 -5.099 5.228 1.00 0.00 N ATOM 91 CA LYS A 6 -2.344 -5.746 5.922 1.00 0.00 C ATOM 92 C LYS A 6 -3.595 -5.465 5.093 1.00 0.00 C ATOM 93 O LYS A 6 -3.905 -4.291 4.860 1.00 0.00 O ATOM 94 CB LYS A 6 -2.437 -5.188 7.353 1.00 0.00 C ATOM 95 CG LYS A 6 -3.602 -5.739 8.196 1.00 0.00 C ATOM 96 CD LYS A 6 -3.551 -7.255 8.434 1.00 0.00 C ATOM 97 CE LYS A 6 -2.390 -7.730 9.315 1.00 0.00 C ATOM 98 NZ LYS A 6 -2.693 -7.601 10.754 1.00 0.00 N ATOM 0 H LYS A 6 -1.102 -4.131 5.517 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.212 -6.824 6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.502 -5.401 7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.530 -4.103 7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.608 -5.232 9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.541 -5.493 7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.489 -7.568 8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.485 -7.758 7.469 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.164 -8.771 9.085 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.497 -7.151 9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.880 -7.934 11.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.883 -6.604 10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.529 -8.174 10.985 1.00 0.00 H new ATOM 112 N THR A 7 -4.241 -6.498 4.557 1.00 0.00 N ATOM 113 CA THR A 7 -5.450 -6.317 3.765 1.00 0.00 C ATOM 114 C THR A 7 -6.602 -5.941 4.690 1.00 0.00 C ATOM 115 O THR A 7 -6.546 -6.185 5.899 1.00 0.00 O ATOM 116 CB THR A 7 -5.812 -7.598 2.986 1.00 0.00 C ATOM 117 OG1 THR A 7 -6.230 -8.628 3.854 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.667 -8.098 2.102 1.00 0.00 C ATOM 0 H THR A 7 -3.945 -7.469 4.658 1.00 0.00 H new ATOM 0 HA THR A 7 -5.270 -5.522 3.041 1.00 0.00 H new ATOM 0 HB THR A 7 -6.640 -7.325 2.331 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.136 -8.912 3.613 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.979 -9.001 1.578 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.406 -7.329 1.375 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.799 -8.320 2.722 1.00 0.00 H new ATOM 126 N LEU A 8 -7.694 -5.448 4.100 1.00 0.00 N ATOM 127 CA LEU A 8 -8.896 -5.070 4.836 1.00 0.00 C ATOM 128 C LEU A 8 -9.605 -6.290 5.452 1.00 0.00 C ATOM 129 O LEU A 8 -10.540 -6.119 6.230 1.00 0.00 O ATOM 130 CB LEU A 8 -9.845 -4.287 3.910 1.00 0.00 C ATOM 131 CG LEU A 8 -10.791 -5.115 3.006 1.00 0.00 C ATOM 132 CD1 LEU A 8 -11.695 -4.143 2.251 1.00 0.00 C ATOM 133 CD2 LEU A 8 -10.107 -6.024 1.974 1.00 0.00 C ATOM 0 H LEU A 8 -7.766 -5.300 3.093 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.598 -4.431 5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.457 -3.631 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.240 -3.646 3.269 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.327 -5.784 3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.372 -4.702 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.275 -3.557 2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.084 -3.475 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.865 -6.555 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.499 -5.418 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.471 -6.745 2.489 1.00 0.00 H new ATOM 145 N THR A 9 -9.174 -7.504 5.094 1.00 0.00 N ATOM 146 CA THR A 9 -9.689 -8.793 5.533 1.00 0.00 C ATOM 147 C THR A 9 -8.805 -9.463 6.591 1.00 0.00 C ATOM 148 O THR A 9 -9.215 -10.471 7.174 1.00 0.00 O ATOM 149 CB THR A 9 -9.873 -9.697 4.308 1.00 0.00 C ATOM 150 OG1 THR A 9 -8.804 -9.565 3.375 1.00 0.00 O ATOM 151 CG2 THR A 9 -11.193 -9.378 3.607 1.00 0.00 C ATOM 0 H THR A 9 -8.398 -7.613 4.441 1.00 0.00 H new ATOM 0 HA THR A 9 -10.650 -8.626 6.019 1.00 0.00 H new ATOM 0 HB THR A 9 -9.880 -10.725 4.671 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.961 -10.159 2.612 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.310 -10.027 2.739 1.00 0.00 H new ATOM 0 HG22 THR A 9 -12.020 -9.542 4.297 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.191 -8.337 3.284 1.00 0.00 H new ATOM 159 N GLY A 10 -7.583 -8.973 6.814 1.00 0.00 N ATOM 160 CA GLY A 10 -6.653 -9.488 7.798 1.00 0.00 C ATOM 161 C GLY A 10 -5.515 -10.322 7.231 1.00 0.00 C ATOM 162 O GLY A 10 -4.776 -10.913 8.019 1.00 0.00 O ATOM 0 H GLY A 10 -7.210 -8.180 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.229 -8.649 8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.205 -10.094 8.516 1.00 0.00 H new ATOM 166 N LYS A 11 -5.353 -10.425 5.902 1.00 0.00 N ATOM 167 CA LYS A 11 -4.231 -11.195 5.372 1.00 0.00 C ATOM 168 C LYS A 11 -3.030 -10.257 5.443 1.00 0.00 C ATOM 169 O LYS A 11 -3.203 -9.036 5.455 1.00 0.00 O ATOM 170 CB LYS A 11 -4.444 -11.530 3.872 1.00 0.00 C ATOM 171 CG LYS A 11 -5.312 -12.753 3.540 1.00 0.00 C ATOM 172 CD LYS A 11 -4.539 -14.083 3.515 1.00 0.00 C ATOM 173 CE LYS A 11 -3.363 -14.152 2.517 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.749 -13.988 1.100 1.00 0.00 N ATOM 0 H LYS A 11 -5.962 -10.000 5.203 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.112 -12.123 5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.890 -10.659 3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.465 -11.678 3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.115 -12.825 4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.781 -12.599 2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.155 -14.278 4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.239 -14.885 3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.639 -13.379 2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.860 -15.112 2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.942 -14.231 0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.549 -14.617 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.028 -13.001 0.928 1.00 0.00 H new ATOM 188 N THR A 12 -1.821 -10.796 5.340 1.00 0.00 N ATOM 189 CA THR A 12 -0.620 -9.986 5.343 1.00 0.00 C ATOM 190 C THR A 12 0.083 -10.380 4.058 1.00 0.00 C ATOM 191 O THR A 12 0.252 -11.566 3.768 1.00 0.00 O ATOM 192 CB THR A 12 0.166 -10.182 6.646 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.676 -9.782 7.713 1.00 0.00 O ATOM 194 CG2 THR A 12 1.427 -9.314 6.703 1.00 0.00 C ATOM 0 H THR A 12 -1.651 -11.798 5.253 1.00 0.00 H new ATOM 0 HA THR A 12 -0.787 -8.909 5.343 1.00 0.00 H new ATOM 0 HB THR A 12 0.469 -11.227 6.709 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.203 -9.897 8.564 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.947 -9.490 7.645 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.084 -9.571 5.872 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.148 -8.263 6.633 1.00 0.00 H new ATOM 202 N ILE A 13 0.502 -9.385 3.294 1.00 0.00 N ATOM 203 CA ILE A 13 1.188 -9.521 2.021 1.00 0.00 C ATOM 204 C ILE A 13 2.650 -9.181 2.282 1.00 0.00 C ATOM 205 O ILE A 13 2.937 -8.468 3.239 1.00 0.00 O ATOM 206 CB ILE A 13 0.568 -8.545 0.988 1.00 0.00 C ATOM 207 CG1 ILE A 13 -0.978 -8.462 1.034 1.00 0.00 C ATOM 208 CG2 ILE A 13 1.035 -8.863 -0.447 1.00 0.00 C ATOM 209 CD1 ILE A 13 -1.687 -9.796 0.796 1.00 0.00 C ATOM 0 H ILE A 13 0.365 -8.410 3.560 1.00 0.00 H new ATOM 0 HA ILE A 13 1.095 -10.528 1.615 1.00 0.00 H new ATOM 0 HB ILE A 13 0.939 -7.563 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.280 -8.071 2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.314 -7.746 0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.580 -8.158 -1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.120 -8.779 -0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.736 -9.877 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.766 -9.648 0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.418 -10.181 -0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.383 -10.511 1.561 1.00 0.00 H new ATOM 221 N THR A 14 3.538 -9.662 1.426 1.00 0.00 N ATOM 222 CA THR A 14 4.982 -9.489 1.398 1.00 0.00 C ATOM 223 C THR A 14 5.258 -9.067 -0.056 1.00 0.00 C ATOM 224 O THR A 14 4.827 -9.784 -0.968 1.00 0.00 O ATOM 225 CB THR A 14 5.631 -10.852 1.719 1.00 0.00 C ATOM 226 OG1 THR A 14 5.191 -11.369 2.962 1.00 0.00 O ATOM 227 CG2 THR A 14 7.158 -10.842 1.756 1.00 0.00 C ATOM 0 H THR A 14 3.230 -10.247 0.649 1.00 0.00 H new ATOM 0 HA THR A 14 5.373 -8.764 2.112 1.00 0.00 H new ATOM 0 HB THR A 14 5.310 -11.480 0.888 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.623 -12.233 3.128 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.523 -11.842 1.989 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.543 -10.532 0.785 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.499 -10.144 2.521 1.00 0.00 H new ATOM 235 N LEU A 15 5.881 -7.907 -0.295 1.00 0.00 N ATOM 236 CA LEU A 15 6.194 -7.395 -1.636 1.00 0.00 C ATOM 237 C LEU A 15 7.590 -6.793 -1.651 1.00 0.00 C ATOM 238 O LEU A 15 7.984 -6.190 -0.654 1.00 0.00 O ATOM 239 CB LEU A 15 5.232 -6.262 -2.038 1.00 0.00 C ATOM 240 CG LEU A 15 3.786 -6.677 -2.328 1.00 0.00 C ATOM 241 CD1 LEU A 15 2.977 -5.423 -2.666 1.00 0.00 C ATOM 242 CD2 LEU A 15 3.695 -7.673 -3.486 1.00 0.00 C ATOM 0 H LEU A 15 6.188 -7.285 0.453 1.00 0.00 H new ATOM 0 HA LEU A 15 6.108 -8.235 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.223 -5.520 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.632 -5.770 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 15 3.386 -7.171 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.944 -5.702 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.003 -4.735 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.407 -4.938 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.652 -7.939 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.106 -7.220 -4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.263 -8.570 -3.240 1.00 0.00 H new ATOM 254 N GLU A 16 8.300 -6.912 -2.771 1.00 0.00 N ATOM 255 CA GLU A 16 9.646 -6.391 -2.979 1.00 0.00 C ATOM 256 C GLU A 16 9.527 -5.031 -3.666 1.00 0.00 C ATOM 257 O GLU A 16 9.015 -4.916 -4.782 1.00 0.00 O ATOM 258 CB GLU A 16 10.479 -7.406 -3.765 1.00 0.00 C ATOM 259 CG GLU A 16 11.906 -6.929 -4.071 1.00 0.00 C ATOM 260 CD GLU A 16 12.837 -8.109 -4.368 1.00 0.00 C ATOM 261 OE1 GLU A 16 12.496 -8.982 -5.205 1.00 0.00 O ATOM 262 OE2 GLU A 16 13.890 -8.216 -3.697 1.00 0.00 O ATOM 0 H GLU A 16 7.936 -7.395 -3.592 1.00 0.00 H new ATOM 0 HA GLU A 16 10.171 -6.241 -2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.530 -8.336 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.971 -7.630 -4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.890 -6.252 -4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.292 -6.363 -3.223 1.00 0.00 H new ATOM 269 N VAL A 17 9.993 -3.990 -2.983 1.00 0.00 N ATOM 270 CA VAL A 17 9.953 -2.598 -3.422 1.00 0.00 C ATOM 271 C VAL A 17 11.354 -1.981 -3.295 1.00 0.00 C ATOM 272 O VAL A 17 12.346 -2.703 -3.136 1.00 0.00 O ATOM 273 CB VAL A 17 8.864 -1.863 -2.600 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.484 -2.533 -2.726 1.00 0.00 C ATOM 275 CG2 VAL A 17 9.214 -1.779 -1.105 1.00 0.00 C ATOM 0 H VAL A 17 10.429 -4.098 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 17 9.681 -2.509 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 17 8.824 -0.859 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.756 -1.981 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.174 -2.534 -3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.544 -3.560 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.419 -1.255 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.320 -2.785 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.152 -1.237 -0.981 1.00 0.00 H new ATOM 285 N GLU A 18 11.463 -0.663 -3.436 1.00 0.00 N ATOM 286 CA GLU A 18 12.697 0.095 -3.309 1.00 0.00 C ATOM 287 C GLU A 18 12.332 1.502 -2.804 1.00 0.00 C ATOM 288 O GLU A 18 11.172 1.903 -2.940 1.00 0.00 O ATOM 289 CB GLU A 18 13.489 0.111 -4.626 1.00 0.00 C ATOM 290 CG GLU A 18 12.847 0.903 -5.774 1.00 0.00 C ATOM 291 CD GLU A 18 13.882 1.253 -6.838 1.00 0.00 C ATOM 292 OE1 GLU A 18 13.801 0.691 -7.958 1.00 0.00 O ATOM 293 OE2 GLU A 18 14.772 2.079 -6.526 1.00 0.00 O ATOM 0 H GLU A 18 10.659 -0.073 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 18 13.365 -0.377 -2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.478 0.526 -4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.635 -0.918 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.044 0.317 -6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.397 1.816 -5.384 1.00 0.00 H new ATOM 300 N PRO A 19 13.268 2.298 -2.253 1.00 0.00 N ATOM 301 CA PRO A 19 12.968 3.643 -1.766 1.00 0.00 C ATOM 302 C PRO A 19 12.418 4.592 -2.833 1.00 0.00 C ATOM 303 O PRO A 19 11.728 5.546 -2.468 1.00 0.00 O ATOM 304 CB PRO A 19 14.290 4.205 -1.236 1.00 0.00 C ATOM 305 CG PRO A 19 15.071 2.948 -0.885 1.00 0.00 C ATOM 306 CD PRO A 19 14.666 1.990 -2.005 1.00 0.00 C ATOM 0 HA PRO A 19 12.185 3.569 -1.011 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.805 4.805 -1.986 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.139 4.844 -0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 19 16.146 3.127 -0.872 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.800 2.562 0.098 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.272 2.144 -2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.797 0.950 -1.706 1.00 0.00 H new ATOM 314 N SER A 20 12.606 4.290 -4.119 1.00 0.00 N ATOM 315 CA SER A 20 12.158 5.143 -5.206 1.00 0.00 C ATOM 316 C SER A 20 11.068 4.462 -6.042 1.00 0.00 C ATOM 317 O SER A 20 10.862 4.812 -7.205 1.00 0.00 O ATOM 318 CB SER A 20 13.409 5.390 -6.069 1.00 0.00 C ATOM 319 OG SER A 20 14.538 5.776 -5.297 1.00 0.00 O ATOM 0 H SER A 20 13.077 3.440 -4.431 1.00 0.00 H new ATOM 0 HA SER A 20 11.723 6.068 -4.827 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.647 4.483 -6.625 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.192 6.167 -6.802 1.00 0.00 H new ATOM 0 HG SER A 20 15.306 5.919 -5.889 1.00 0.00 H new ATOM 325 N ASP A 21 10.269 3.604 -5.407 1.00 0.00 N ATOM 326 CA ASP A 21 9.166 2.866 -6.018 1.00 0.00 C ATOM 327 C ASP A 21 7.908 3.717 -5.800 1.00 0.00 C ATOM 328 O ASP A 21 7.693 4.187 -4.672 1.00 0.00 O ATOM 329 CB ASP A 21 9.100 1.513 -5.299 1.00 0.00 C ATOM 330 CG ASP A 21 8.276 0.458 -6.012 1.00 0.00 C ATOM 331 OD1 ASP A 21 8.737 -0.709 -6.063 1.00 0.00 O ATOM 332 OD2 ASP A 21 7.145 0.763 -6.433 1.00 0.00 O ATOM 0 H ASP A 21 10.378 3.397 -4.414 1.00 0.00 H new ATOM 0 HA ASP A 21 9.278 2.682 -7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.114 1.136 -5.169 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.686 1.666 -4.302 1.00 0.00 H new ATOM 337 N THR A 22 7.105 3.998 -6.833 1.00 0.00 N ATOM 338 CA THR A 22 5.913 4.832 -6.676 1.00 0.00 C ATOM 339 C THR A 22 4.760 4.052 -6.046 1.00 0.00 C ATOM 340 O THR A 22 4.668 2.833 -6.164 1.00 0.00 O ATOM 341 CB THR A 22 5.479 5.384 -8.052 1.00 0.00 C ATOM 342 OG1 THR A 22 5.445 4.360 -9.030 1.00 0.00 O ATOM 343 CG2 THR A 22 6.399 6.495 -8.557 1.00 0.00 C ATOM 0 H THR A 22 7.260 3.660 -7.783 1.00 0.00 H new ATOM 0 HA THR A 22 6.165 5.656 -6.008 1.00 0.00 H new ATOM 0 HB THR A 22 4.481 5.795 -7.901 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.700 3.752 -8.841 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.047 6.846 -9.527 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.393 7.323 -7.848 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.414 6.110 -8.657 1.00 0.00 H new ATOM 351 N ILE A 23 3.801 4.767 -5.447 1.00 0.00 N ATOM 352 CA ILE A 23 2.645 4.104 -4.841 1.00 0.00 C ATOM 353 C ILE A 23 1.835 3.381 -5.916 1.00 0.00 C ATOM 354 O ILE A 23 1.229 2.369 -5.593 1.00 0.00 O ATOM 355 CB ILE A 23 1.769 5.100 -4.052 1.00 0.00 C ATOM 356 CG1 ILE A 23 2.478 5.603 -2.781 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.376 4.558 -3.665 1.00 0.00 C ATOM 358 CD1 ILE A 23 2.643 4.569 -1.665 1.00 0.00 C ATOM 0 H ILE A 23 3.802 5.784 -5.370 1.00 0.00 H new ATOM 0 HA ILE A 23 3.009 3.366 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 23 1.614 5.925 -4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.465 5.972 -3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.919 6.452 -2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.172 5.322 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.176 4.296 -4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.491 3.672 -3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.154 5.027 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.662 4.215 -1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.231 3.728 -2.032 1.00 0.00 H new ATOM 370 N GLU A 24 1.816 3.853 -7.167 1.00 0.00 N ATOM 371 CA GLU A 24 1.043 3.188 -8.213 1.00 0.00 C ATOM 372 C GLU A 24 1.530 1.746 -8.399 1.00 0.00 C ATOM 373 O GLU A 24 0.727 0.833 -8.564 1.00 0.00 O ATOM 374 CB GLU A 24 1.115 3.998 -9.519 1.00 0.00 C ATOM 375 CG GLU A 24 -0.061 3.691 -10.459 1.00 0.00 C ATOM 376 CD GLU A 24 -1.383 4.262 -9.929 1.00 0.00 C ATOM 377 OE1 GLU A 24 -2.056 3.620 -9.089 1.00 0.00 O ATOM 378 OE2 GLU A 24 -1.768 5.379 -10.339 1.00 0.00 O ATOM 0 H GLU A 24 2.322 4.684 -7.475 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.004 3.140 -7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.122 5.062 -9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.053 3.778 -10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.145 4.107 -11.445 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.155 2.612 -10.582 1.00 0.00 H new ATOM 385 N ASN A 25 2.848 1.537 -8.351 1.00 0.00 N ATOM 386 CA ASN A 25 3.452 0.220 -8.495 1.00 0.00 C ATOM 387 C ASN A 25 3.076 -0.626 -7.286 1.00 0.00 C ATOM 388 O ASN A 25 2.503 -1.702 -7.445 1.00 0.00 O ATOM 389 CB ASN A 25 4.973 0.339 -8.624 1.00 0.00 C ATOM 390 CG ASN A 25 5.391 0.602 -10.052 1.00 0.00 C ATOM 391 OD1 ASN A 25 5.250 -0.273 -10.899 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.871 1.793 -10.358 1.00 0.00 N ATOM 0 H ASN A 25 3.527 2.285 -8.210 1.00 0.00 H new ATOM 0 HA ASN A 25 3.080 -0.258 -9.401 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.331 1.146 -7.985 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.442 -0.579 -8.270 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.135 2.004 -11.320 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.977 2.502 -9.632 1.00 0.00 H new ATOM 399 N VAL A 26 3.322 -0.126 -6.072 1.00 0.00 N ATOM 400 CA VAL A 26 3.013 -0.845 -4.835 1.00 0.00 C ATOM 401 C VAL A 26 1.519 -1.214 -4.771 1.00 0.00 C ATOM 402 O VAL A 26 1.157 -2.325 -4.374 1.00 0.00 O ATOM 403 CB VAL A 26 3.451 0.008 -3.621 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.219 -0.727 -2.291 1.00 0.00 C ATOM 405 CG2 VAL A 26 4.938 0.392 -3.676 1.00 0.00 C ATOM 0 H VAL A 26 3.742 0.791 -5.920 1.00 0.00 H new ATOM 0 HA VAL A 26 3.568 -1.783 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 26 2.836 0.907 -3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.540 -0.093 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.159 -0.956 -2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.793 -1.653 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.192 0.990 -2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.547 -0.512 -3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.131 0.971 -4.579 1.00 0.00 H new ATOM 415 N LYS A 27 0.636 -0.309 -5.202 1.00 0.00 N ATOM 416 CA LYS A 27 -0.812 -0.492 -5.192 1.00 0.00 C ATOM 417 C LYS A 27 -1.274 -1.434 -6.308 1.00 0.00 C ATOM 418 O LYS A 27 -2.406 -1.921 -6.245 1.00 0.00 O ATOM 419 CB LYS A 27 -1.470 0.894 -5.260 1.00 0.00 C ATOM 420 CG LYS A 27 -2.900 0.893 -4.720 1.00 0.00 C ATOM 421 CD LYS A 27 -3.511 2.296 -4.721 1.00 0.00 C ATOM 422 CE LYS A 27 -3.766 2.787 -6.152 1.00 0.00 C ATOM 423 NZ LYS A 27 -4.816 3.822 -6.189 1.00 0.00 N ATOM 0 H LYS A 27 0.920 0.596 -5.578 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.122 -0.981 -4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.871 1.605 -4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.476 1.239 -6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.516 0.228 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.905 0.496 -3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.448 2.288 -4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.842 2.988 -4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.843 3.189 -6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.061 1.946 -6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.963 4.132 -7.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.703 3.430 -5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.523 4.635 -5.610 1.00 0.00 H new ATOM 437 N ALA A 28 -0.431 -1.699 -7.309 1.00 0.00 N ATOM 438 CA ALA A 28 -0.710 -2.611 -8.406 1.00 0.00 C ATOM 439 C ALA A 28 -0.235 -4.002 -7.987 1.00 0.00 C ATOM 440 O ALA A 28 -0.984 -4.969 -8.115 1.00 0.00 O ATOM 441 CB ALA A 28 -0.024 -2.146 -9.690 1.00 0.00 C ATOM 0 H ALA A 28 0.491 -1.268 -7.375 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.779 -2.635 -8.618 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.248 -2.845 -10.496 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.388 -1.154 -9.958 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.054 -2.107 -9.533 1.00 0.00 H new ATOM 447 N LYS A 29 0.975 -4.113 -7.422 1.00 0.00 N ATOM 448 CA LYS A 29 1.568 -5.369 -6.963 1.00 0.00 C ATOM 449 C LYS A 29 0.620 -6.130 -6.033 1.00 0.00 C ATOM 450 O LYS A 29 0.529 -7.356 -6.132 1.00 0.00 O ATOM 451 CB LYS A 29 2.931 -5.107 -6.303 1.00 0.00 C ATOM 452 CG LYS A 29 4.059 -4.811 -7.308 1.00 0.00 C ATOM 453 CD LYS A 29 5.431 -4.824 -6.614 1.00 0.00 C ATOM 454 CE LYS A 29 6.561 -4.245 -7.479 1.00 0.00 C ATOM 455 NZ LYS A 29 6.805 -4.984 -8.733 1.00 0.00 N ATOM 0 H LYS A 29 1.582 -3.308 -7.269 1.00 0.00 H new ATOM 0 HA LYS A 29 1.733 -6.007 -7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.837 -4.265 -5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.208 -5.975 -5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.044 -5.553 -8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.891 -3.839 -7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.366 -4.255 -5.687 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.682 -5.849 -6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.323 -3.209 -7.722 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.480 -4.232 -6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.580 -4.531 -9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.064 -5.967 -8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.943 -4.976 -9.314 1.00 0.00 H new ATOM 469 N ILE A 30 -0.092 -5.445 -5.136 1.00 0.00 N ATOM 470 CA ILE A 30 -1.039 -6.089 -4.227 1.00 0.00 C ATOM 471 C ILE A 30 -2.201 -6.746 -5.002 1.00 0.00 C ATOM 472 O ILE A 30 -2.761 -7.729 -4.516 1.00 0.00 O ATOM 473 CB ILE A 30 -1.567 -5.104 -3.155 1.00 0.00 C ATOM 474 CG1 ILE A 30 -2.185 -3.841 -3.789 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.461 -4.744 -2.148 1.00 0.00 C ATOM 476 CD1 ILE A 30 -2.860 -2.886 -2.804 1.00 0.00 C ATOM 0 H ILE A 30 -0.028 -4.434 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.498 -6.878 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.366 -5.609 -2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.402 -3.299 -4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.919 -4.149 -4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.857 -4.051 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.113 -5.649 -1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.371 -4.276 -2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.263 -2.030 -3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.670 -3.405 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.129 -2.541 -2.073 1.00 0.00 H new ATOM 488 N GLN A 31 -2.558 -6.259 -6.196 1.00 0.00 N ATOM 489 CA GLN A 31 -3.649 -6.820 -6.995 1.00 0.00 C ATOM 490 C GLN A 31 -3.178 -8.109 -7.671 1.00 0.00 C ATOM 491 O GLN A 31 -3.988 -8.947 -8.058 1.00 0.00 O ATOM 492 CB GLN A 31 -4.150 -5.832 -8.064 1.00 0.00 C ATOM 493 CG GLN A 31 -4.285 -4.395 -7.549 1.00 0.00 C ATOM 494 CD GLN A 31 -4.969 -3.485 -8.564 1.00 0.00 C ATOM 495 OE1 GLN A 31 -4.408 -3.089 -9.587 1.00 0.00 O ATOM 496 NE2 GLN A 31 -6.200 -3.104 -8.287 1.00 0.00 N ATOM 0 H GLN A 31 -2.096 -5.463 -6.635 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.480 -7.028 -6.321 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.463 -5.844 -8.910 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.118 -6.170 -8.435 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.855 -4.395 -6.620 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.296 -3.999 -7.316 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.658 -3.436 -7.438 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.695 -2.477 -8.921 1.00 0.00 H new ATOM 505 N ASP A 32 -1.867 -8.285 -7.852 1.00 0.00 N ATOM 506 CA ASP A 32 -1.325 -9.505 -8.447 1.00 0.00 C ATOM 507 C ASP A 32 -1.407 -10.616 -7.391 1.00 0.00 C ATOM 508 O ASP A 32 -1.856 -11.724 -7.695 1.00 0.00 O ATOM 509 CB ASP A 32 0.121 -9.275 -8.924 1.00 0.00 C ATOM 510 CG ASP A 32 1.000 -10.528 -8.831 1.00 0.00 C ATOM 511 OD1 ASP A 32 0.830 -11.447 -9.657 1.00 0.00 O ATOM 512 OD2 ASP A 32 1.896 -10.551 -7.954 1.00 0.00 O ATOM 0 H ASP A 32 -1.161 -7.595 -7.594 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.901 -9.796 -9.325 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.104 -8.928 -9.957 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.570 -8.480 -8.328 1.00 0.00 H new ATOM 517 N LYS A 33 -1.130 -10.302 -6.117 1.00 0.00 N ATOM 518 CA LYS A 33 -1.157 -11.308 -5.049 1.00 0.00 C ATOM 519 C LYS A 33 -2.523 -11.528 -4.392 1.00 0.00 C ATOM 520 O LYS A 33 -2.720 -12.591 -3.800 1.00 0.00 O ATOM 521 CB LYS A 33 -0.087 -10.978 -3.994 1.00 0.00 C ATOM 522 CG LYS A 33 1.328 -10.992 -4.602 1.00 0.00 C ATOM 523 CD LYS A 33 2.410 -11.074 -3.520 1.00 0.00 C ATOM 524 CE LYS A 33 3.830 -11.256 -4.087 1.00 0.00 C ATOM 525 NZ LYS A 33 4.079 -12.624 -4.593 1.00 0.00 N ATOM 0 H LYS A 33 -0.886 -9.363 -5.803 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.934 -12.258 -5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.289 -9.997 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.142 -11.701 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.425 -11.841 -5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.477 -10.091 -5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.381 -10.166 -2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.184 -11.906 -2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.987 -10.541 -4.895 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.558 -11.024 -3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.049 -12.686 -4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.958 -13.308 -3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.405 -12.840 -5.355 1.00 0.00 H new ATOM 539 N GLU A 34 -3.461 -10.583 -4.443 1.00 0.00 N ATOM 540 CA GLU A 34 -4.790 -10.715 -3.838 1.00 0.00 C ATOM 541 C GLU A 34 -5.811 -10.132 -4.819 1.00 0.00 C ATOM 542 O GLU A 34 -5.480 -9.209 -5.564 1.00 0.00 O ATOM 543 CB GLU A 34 -4.799 -9.945 -2.500 1.00 0.00 C ATOM 544 CG GLU A 34 -5.894 -10.361 -1.503 1.00 0.00 C ATOM 545 CD GLU A 34 -5.495 -11.594 -0.684 1.00 0.00 C ATOM 546 OE1 GLU A 34 -4.468 -11.557 0.027 1.00 0.00 O ATOM 547 OE2 GLU A 34 -6.157 -12.647 -0.774 1.00 0.00 O ATOM 0 H GLU A 34 -3.319 -9.689 -4.913 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.041 -11.757 -3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.828 -10.073 -2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.911 -8.882 -2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.103 -9.531 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.816 -10.570 -2.045 1.00 0.00 H new ATOM 554 N GLY A 35 -7.051 -10.623 -4.816 1.00 0.00 N ATOM 555 CA GLY A 35 -8.087 -10.141 -5.717 1.00 0.00 C ATOM 556 C GLY A 35 -8.720 -8.864 -5.188 1.00 0.00 C ATOM 557 O GLY A 35 -9.712 -8.942 -4.457 1.00 0.00 O ATOM 0 H GLY A 35 -7.361 -11.365 -4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.660 -9.958 -6.703 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.853 -10.907 -5.839 1.00 0.00 H new ATOM 561 N ILE A 36 -8.172 -7.699 -5.538 1.00 0.00 N ATOM 562 CA ILE A 36 -8.679 -6.396 -5.110 1.00 0.00 C ATOM 563 C ILE A 36 -8.576 -5.366 -6.254 1.00 0.00 C ATOM 564 O ILE A 36 -7.464 -4.916 -6.554 1.00 0.00 O ATOM 565 CB ILE A 36 -7.936 -5.913 -3.835 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.415 -6.209 -3.840 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.602 -6.508 -2.580 1.00 0.00 C ATOM 568 CD1 ILE A 36 -5.646 -5.548 -2.695 1.00 0.00 C ATOM 0 H ILE A 36 -7.349 -7.634 -6.137 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.734 -6.500 -4.858 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.022 -4.826 -3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.266 -7.287 -3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.994 -5.874 -4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.074 -6.164 -1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.642 -6.185 -2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.561 -7.596 -2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.589 -5.805 -2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.762 -4.466 -2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.038 -5.902 -1.741 1.00 0.00 H new ATOM 580 N PRO A 37 -9.695 -4.956 -6.886 1.00 0.00 N ATOM 581 CA PRO A 37 -9.687 -3.958 -7.958 1.00 0.00 C ATOM 582 C PRO A 37 -9.223 -2.587 -7.428 1.00 0.00 C ATOM 583 O PRO A 37 -9.170 -2.388 -6.213 1.00 0.00 O ATOM 584 CB PRO A 37 -11.139 -3.863 -8.450 1.00 0.00 C ATOM 585 CG PRO A 37 -11.802 -5.140 -7.947 1.00 0.00 C ATOM 586 CD PRO A 37 -11.053 -5.416 -6.648 1.00 0.00 C ATOM 0 HA PRO A 37 -9.001 -4.243 -8.756 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.634 -2.977 -8.053 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.185 -3.794 -9.537 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.870 -5.002 -7.777 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.695 -5.959 -8.658 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.507 -4.886 -5.811 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.072 -6.477 -6.401 1.00 0.00 H new ATOM 594 N PRO A 38 -8.916 -1.595 -8.286 1.00 0.00 N ATOM 595 CA PRO A 38 -8.488 -0.274 -7.830 1.00 0.00 C ATOM 596 C PRO A 38 -9.743 0.566 -7.518 1.00 0.00 C ATOM 597 O PRO A 38 -9.914 1.697 -7.982 1.00 0.00 O ATOM 598 CB PRO A 38 -7.664 0.259 -9.009 1.00 0.00 C ATOM 599 CG PRO A 38 -8.412 -0.303 -10.220 1.00 0.00 C ATOM 600 CD PRO A 38 -8.922 -1.663 -9.736 1.00 0.00 C ATOM 0 HA PRO A 38 -7.895 -0.262 -6.916 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.632 1.348 -9.022 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.632 -0.089 -8.973 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.233 0.348 -10.521 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.755 -0.406 -11.083 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.925 -1.861 -10.114 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.282 -2.470 -10.092 1.00 0.00 H new ATOM 608 N ASP A 39 -10.586 0.020 -6.646 1.00 0.00 N ATOM 609 CA ASP A 39 -11.855 0.504 -6.130 1.00 0.00 C ATOM 610 C ASP A 39 -11.905 -0.011 -4.703 1.00 0.00 C ATOM 611 O ASP A 39 -11.520 -1.150 -4.446 1.00 0.00 O ATOM 612 CB ASP A 39 -13.032 -0.034 -6.953 1.00 0.00 C ATOM 613 CG ASP A 39 -14.384 0.581 -6.570 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.470 1.458 -5.680 1.00 0.00 O ATOM 615 OD2 ASP A 39 -15.399 0.205 -7.203 1.00 0.00 O ATOM 0 H ASP A 39 -10.363 -0.887 -6.236 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.933 1.590 -6.181 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.842 0.156 -8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -13.087 -1.116 -6.829 1.00 0.00 H new ATOM 620 N GLN A 40 -12.318 0.839 -3.770 1.00 0.00 N ATOM 621 CA GLN A 40 -12.409 0.572 -2.340 1.00 0.00 C ATOM 622 C GLN A 40 -11.076 0.003 -1.837 1.00 0.00 C ATOM 623 O GLN A 40 -11.024 -0.936 -1.043 1.00 0.00 O ATOM 624 CB GLN A 40 -13.588 -0.380 -2.033 1.00 0.00 C ATOM 625 CG GLN A 40 -14.954 0.011 -2.615 1.00 0.00 C ATOM 626 CD GLN A 40 -15.331 1.473 -2.382 1.00 0.00 C ATOM 627 OE1 GLN A 40 -15.130 2.050 -1.318 1.00 0.00 O ATOM 628 NE2 GLN A 40 -15.846 2.146 -3.393 1.00 0.00 N ATOM 0 H GLN A 40 -12.615 1.786 -4.005 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.605 1.505 -1.812 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.331 -1.372 -2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.689 -0.460 -0.951 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.951 -0.187 -3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.721 -0.626 -2.175 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.018 1.678 -4.283 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.072 3.135 -3.285 1.00 0.00 H new ATOM 637 N ASN A 41 -9.982 0.660 -2.226 1.00 0.00 N ATOM 638 CA ASN A 41 -8.627 0.296 -1.849 1.00 0.00 C ATOM 639 C ASN A 41 -7.805 1.576 -1.943 1.00 0.00 C ATOM 640 O ASN A 41 -7.819 2.237 -2.983 1.00 0.00 O ATOM 641 CB ASN A 41 -8.067 -0.756 -2.839 1.00 0.00 C ATOM 642 CG ASN A 41 -8.489 -2.183 -2.505 1.00 0.00 C ATOM 643 OD1 ASN A 41 -7.846 -2.835 -1.688 1.00 0.00 O ATOM 644 ND2 ASN A 41 -9.571 -2.688 -3.075 1.00 0.00 N ATOM 0 H ASN A 41 -10.022 1.482 -2.829 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.594 -0.133 -0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.403 -0.512 -3.847 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.979 -0.698 -2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.880 -3.630 -2.837 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.096 -2.135 -3.752 1.00 0.00 H new ATOM 651 N ARG A 42 -7.008 1.869 -0.919 1.00 0.00 N ATOM 652 CA ARG A 42 -6.119 3.022 -0.795 1.00 0.00 C ATOM 653 C ARG A 42 -5.090 2.569 0.224 1.00 0.00 C ATOM 654 O ARG A 42 -5.471 1.974 1.236 1.00 0.00 O ATOM 655 CB ARG A 42 -6.891 4.265 -0.322 1.00 0.00 C ATOM 656 CG ARG A 42 -6.021 5.522 -0.165 1.00 0.00 C ATOM 657 CD ARG A 42 -6.837 6.735 0.307 1.00 0.00 C ATOM 658 NE ARG A 42 -7.650 7.330 -0.769 1.00 0.00 N ATOM 659 CZ ARG A 42 -7.284 8.313 -1.604 1.00 0.00 C ATOM 660 NH1 ARG A 42 -6.055 8.822 -1.546 1.00 0.00 N ATOM 661 NH2 ARG A 42 -8.151 8.783 -2.490 1.00 0.00 N ATOM 0 H ARG A 42 -6.963 1.266 -0.097 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.662 3.317 -1.740 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.690 4.476 -1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.365 4.043 0.634 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.223 5.323 0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.545 5.754 -1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.491 6.431 1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.159 7.491 0.704 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.590 6.954 -0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.386 8.464 -0.864 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.782 9.570 -2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.094 8.397 -2.535 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.875 9.531 -3.126 1.00 0.00 H new ATOM 675 N LEU A 43 -3.812 2.821 -0.034 1.00 0.00 N ATOM 676 CA LEU A 43 -2.728 2.403 0.844 1.00 0.00 C ATOM 677 C LEU A 43 -2.490 3.485 1.898 1.00 0.00 C ATOM 678 O LEU A 43 -2.563 4.674 1.596 1.00 0.00 O ATOM 679 CB LEU A 43 -1.503 2.141 -0.050 1.00 0.00 C ATOM 680 CG LEU A 43 -0.389 1.292 0.582 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.812 -0.153 0.863 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.793 1.247 -0.395 1.00 0.00 C ATOM 0 H LEU A 43 -3.498 3.324 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.958 1.489 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.840 1.646 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.080 3.101 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.135 1.755 1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.021 -0.696 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.657 -0.157 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.102 -0.635 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.597 0.649 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.471 0.801 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.153 2.260 -0.578 1.00 0.00 H new ATOM 694 N ILE A 44 -2.193 3.086 3.136 1.00 0.00 N ATOM 695 CA ILE A 44 -1.955 3.959 4.285 1.00 0.00 C ATOM 696 C ILE A 44 -0.705 3.457 5.013 1.00 0.00 C ATOM 697 O ILE A 44 -0.520 2.247 5.153 1.00 0.00 O ATOM 698 CB ILE A 44 -3.174 3.905 5.249 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.569 3.919 4.581 1.00 0.00 C ATOM 700 CG2 ILE A 44 -3.100 5.010 6.322 1.00 0.00 C ATOM 701 CD1 ILE A 44 -4.972 5.227 3.892 1.00 0.00 C ATOM 0 H ILE A 44 -2.108 2.098 3.375 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.815 4.988 3.953 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.083 2.921 5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.604 3.117 3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.316 3.687 5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.969 4.940 6.977 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.191 4.885 6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.088 5.987 5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.967 5.119 3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.979 6.036 4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.257 5.458 3.102 1.00 0.00 H new ATOM 713 N PHE A 45 0.136 4.361 5.513 1.00 0.00 N ATOM 714 CA PHE A 45 1.348 4.026 6.253 1.00 0.00 C ATOM 715 C PHE A 45 1.473 4.995 7.418 1.00 0.00 C ATOM 716 O PHE A 45 1.457 6.203 7.196 1.00 0.00 O ATOM 717 CB PHE A 45 2.586 4.121 5.359 1.00 0.00 C ATOM 718 CG PHE A 45 3.879 4.047 6.143 1.00 0.00 C ATOM 719 CD1 PHE A 45 4.265 2.854 6.782 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.674 5.201 6.270 1.00 0.00 C ATOM 721 CE1 PHE A 45 5.440 2.826 7.550 1.00 0.00 C ATOM 722 CE2 PHE A 45 5.847 5.171 7.040 1.00 0.00 C ATOM 723 CZ PHE A 45 6.222 3.984 7.687 1.00 0.00 C ATOM 0 H PHE A 45 -0.010 5.365 5.412 1.00 0.00 H new ATOM 0 HA PHE A 45 1.281 2.999 6.613 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.563 3.314 4.627 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.556 5.058 4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.661 1.965 6.682 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.380 6.114 5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.743 1.911 8.037 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.458 6.057 7.134 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.116 3.961 8.293 1.00 0.00 H new ATOM 733 N ALA A 46 1.608 4.489 8.648 1.00 0.00 N ATOM 734 CA ALA A 46 1.747 5.322 9.852 1.00 0.00 C ATOM 735 C ALA A 46 0.612 6.358 9.969 1.00 0.00 C ATOM 736 O ALA A 46 0.818 7.495 10.404 1.00 0.00 O ATOM 737 CB ALA A 46 3.142 5.965 9.862 1.00 0.00 C ATOM 0 H ALA A 46 1.624 3.487 8.840 1.00 0.00 H new ATOM 0 HA ALA A 46 1.654 4.692 10.737 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.251 6.584 10.753 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.903 5.184 9.868 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.264 6.584 8.973 1.00 0.00 H new ATOM 743 N GLY A 47 -0.588 5.991 9.504 1.00 0.00 N ATOM 744 CA GLY A 47 -1.775 6.842 9.517 1.00 0.00 C ATOM 745 C GLY A 47 -1.795 7.840 8.352 1.00 0.00 C ATOM 746 O GLY A 47 -2.831 8.457 8.083 1.00 0.00 O ATOM 0 H GLY A 47 -0.761 5.071 9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.667 6.217 9.471 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.817 7.388 10.460 1.00 0.00 H new ATOM 750 N LYS A 48 -0.672 8.017 7.652 1.00 0.00 N ATOM 751 CA LYS A 48 -0.534 8.932 6.533 1.00 0.00 C ATOM 752 C LYS A 48 -1.164 8.241 5.343 1.00 0.00 C ATOM 753 O LYS A 48 -0.837 7.087 5.055 1.00 0.00 O ATOM 754 CB LYS A 48 0.954 9.206 6.272 1.00 0.00 C ATOM 755 CG LYS A 48 1.196 10.298 5.219 1.00 0.00 C ATOM 756 CD LYS A 48 1.891 11.530 5.801 1.00 0.00 C ATOM 757 CE LYS A 48 0.954 12.296 6.747 1.00 0.00 C ATOM 758 NZ LYS A 48 1.562 13.547 7.241 1.00 0.00 N ATOM 0 H LYS A 48 0.188 7.509 7.860 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.017 9.890 6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.431 9.500 7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.434 8.284 5.946 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.803 9.890 4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.242 10.595 4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.788 11.225 6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.213 12.186 4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.024 12.527 6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.696 11.660 7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.895 14.030 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.436 13.327 7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.785 14.166 6.436 1.00 0.00 H new ATOM 772 N GLN A 49 -2.145 8.893 4.733 1.00 0.00 N ATOM 773 CA GLN A 49 -2.815 8.330 3.576 1.00 0.00 C ATOM 774 C GLN A 49 -1.876 8.491 2.390 1.00 0.00 C ATOM 775 O GLN A 49 -1.259 9.544 2.223 1.00 0.00 O ATOM 776 CB GLN A 49 -4.177 8.985 3.363 1.00 0.00 C ATOM 777 CG GLN A 49 -5.082 8.790 4.597 1.00 0.00 C ATOM 778 CD GLN A 49 -5.307 10.091 5.357 1.00 0.00 C ATOM 779 OE1 GLN A 49 -5.853 11.055 4.825 1.00 0.00 O ATOM 780 NE2 GLN A 49 -4.855 10.171 6.596 1.00 0.00 N ATOM 0 H GLN A 49 -2.491 9.808 5.021 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.029 7.270 3.716 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.046 10.049 3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.657 8.556 2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.043 8.385 4.280 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.631 8.055 5.264 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.404 9.364 7.027 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.958 11.039 7.121 1.00 0.00 H new ATOM 789 N LEU A 50 -1.757 7.444 1.582 1.00 0.00 N ATOM 790 CA LEU A 50 -0.885 7.412 0.424 1.00 0.00 C ATOM 791 C LEU A 50 -1.722 7.291 -0.836 1.00 0.00 C ATOM 792 O LEU A 50 -2.855 6.801 -0.815 1.00 0.00 O ATOM 793 CB LEU A 50 0.107 6.232 0.499 1.00 0.00 C ATOM 794 CG LEU A 50 0.575 5.795 1.901 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.408 4.521 1.779 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.382 6.859 2.642 1.00 0.00 C ATOM 0 H LEU A 50 -2.277 6.577 1.720 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.310 8.338 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.353 5.372 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.989 6.494 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.326 5.624 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.741 4.208 2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.803 3.732 1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.276 4.713 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.675 6.478 3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.274 7.106 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.773 7.754 2.769 1.00 0.00 H new ATOM 808 N GLU A 51 -1.156 7.760 -1.936 1.00 0.00 N ATOM 809 CA GLU A 51 -1.724 7.740 -3.268 1.00 0.00 C ATOM 810 C GLU A 51 -0.571 7.879 -4.260 1.00 0.00 C ATOM 811 O GLU A 51 0.591 8.028 -3.866 1.00 0.00 O ATOM 812 CB GLU A 51 -2.857 8.758 -3.439 1.00 0.00 C ATOM 813 CG GLU A 51 -2.473 10.205 -3.129 1.00 0.00 C ATOM 814 CD GLU A 51 -3.676 11.146 -3.055 1.00 0.00 C ATOM 815 OE1 GLU A 51 -3.445 12.346 -2.781 1.00 0.00 O ATOM 816 OE2 GLU A 51 -4.841 10.692 -3.207 1.00 0.00 O ATOM 0 H GLU A 51 -0.231 8.190 -1.918 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.226 6.793 -3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.221 8.706 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.685 8.470 -2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.937 10.236 -2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.786 10.564 -3.896 1.00 0.00 H new ATOM 823 N ASP A 52 -0.901 7.871 -5.544 1.00 0.00 N ATOM 824 CA ASP A 52 0.041 7.926 -6.642 1.00 0.00 C ATOM 825 C ASP A 52 0.696 9.295 -6.779 1.00 0.00 C ATOM 826 O ASP A 52 0.270 10.299 -6.202 1.00 0.00 O ATOM 827 CB ASP A 52 -0.671 7.528 -7.946 1.00 0.00 C ATOM 828 CG ASP A 52 -1.288 8.730 -8.663 1.00 0.00 C ATOM 829 OD1 ASP A 52 -2.438 9.103 -8.336 1.00 0.00 O ATOM 830 OD2 ASP A 52 -0.590 9.349 -9.497 1.00 0.00 O ATOM 0 H ASP A 52 -1.871 7.824 -5.856 1.00 0.00 H new ATOM 0 HA ASP A 52 0.844 7.219 -6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.041 7.038 -8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.452 6.801 -7.723 1.00 0.00 H new ATOM 835 N GLY A 53 1.823 9.282 -7.484 1.00 0.00 N ATOM 836 CA GLY A 53 2.650 10.436 -7.756 1.00 0.00 C ATOM 837 C GLY A 53 3.857 10.484 -6.826 1.00 0.00 C ATOM 838 O GLY A 53 4.882 11.033 -7.225 1.00 0.00 O ATOM 0 H GLY A 53 2.194 8.426 -7.896 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.987 10.408 -8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.060 11.345 -7.637 1.00 0.00 H new ATOM 842 N ARG A 54 3.771 9.910 -5.620 1.00 0.00 N ATOM 843 CA ARG A 54 4.882 9.898 -4.658 1.00 0.00 C ATOM 844 C ARG A 54 5.511 8.510 -4.563 1.00 0.00 C ATOM 845 O ARG A 54 4.919 7.529 -5.030 1.00 0.00 O ATOM 846 CB ARG A 54 4.399 10.420 -3.299 1.00 0.00 C ATOM 847 CG ARG A 54 4.240 11.941 -3.276 1.00 0.00 C ATOM 848 CD ARG A 54 3.937 12.433 -1.853 1.00 0.00 C ATOM 849 NE ARG A 54 3.079 13.622 -1.880 1.00 0.00 N ATOM 850 CZ ARG A 54 2.704 14.373 -0.844 1.00 0.00 C ATOM 851 NH1 ARG A 54 3.186 14.138 0.371 1.00 0.00 N ATOM 852 NH2 ARG A 54 1.860 15.378 -1.035 1.00 0.00 N ATOM 0 H ARG A 54 2.930 9.441 -5.283 1.00 0.00 H new ATOM 0 HA ARG A 54 5.668 10.567 -5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.444 9.955 -3.054 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.107 10.121 -2.526 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.152 12.413 -3.643 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.435 12.238 -3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.448 11.640 -1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.869 12.664 -1.338 1.00 0.00 H new ATOM 0 HE ARG A 54 2.729 13.907 -2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.849 13.377 0.518 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.893 14.718 1.157 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.502 15.572 -1.970 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.569 15.956 -0.247 1.00 0.00 H new ATOM 866 N THR A 55 6.673 8.435 -3.915 1.00 0.00 N ATOM 867 CA THR A 55 7.462 7.226 -3.727 1.00 0.00 C ATOM 868 C THR A 55 7.631 6.839 -2.254 1.00 0.00 C ATOM 869 O THR A 55 7.250 7.589 -1.350 1.00 0.00 O ATOM 870 CB THR A 55 8.819 7.412 -4.436 1.00 0.00 C ATOM 871 OG1 THR A 55 9.573 8.496 -3.909 1.00 0.00 O ATOM 872 CG2 THR A 55 8.658 7.614 -5.944 1.00 0.00 C ATOM 0 H THR A 55 7.106 9.254 -3.489 1.00 0.00 H new ATOM 0 HA THR A 55 6.925 6.389 -4.173 1.00 0.00 H new ATOM 0 HB THR A 55 9.363 6.486 -4.250 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.089 9.335 -4.060 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.639 7.741 -6.401 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.166 6.743 -6.377 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.054 8.502 -6.130 1.00 0.00 H new ATOM 880 N LEU A 56 8.222 5.663 -2.011 1.00 0.00 N ATOM 881 CA LEU A 56 8.470 5.131 -0.674 1.00 0.00 C ATOM 882 C LEU A 56 9.209 6.140 0.207 1.00 0.00 C ATOM 883 O LEU A 56 8.800 6.366 1.346 1.00 0.00 O ATOM 884 CB LEU A 56 9.258 3.802 -0.733 1.00 0.00 C ATOM 885 CG LEU A 56 8.416 2.558 -0.376 1.00 0.00 C ATOM 886 CD1 LEU A 56 7.940 1.798 -1.614 1.00 0.00 C ATOM 887 CD2 LEU A 56 9.234 1.576 0.459 1.00 0.00 C ATOM 0 H LEU A 56 8.546 5.046 -2.756 1.00 0.00 H new ATOM 0 HA LEU A 56 7.495 4.936 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.665 3.677 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.105 3.863 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 56 7.555 2.933 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.353 0.933 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.324 2.454 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.803 1.464 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.623 0.706 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.110 1.258 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.554 2.061 1.381 1.00 0.00 H new ATOM 899 N SER A 57 10.299 6.736 -0.284 1.00 0.00 N ATOM 900 CA SER A 57 11.081 7.702 0.477 1.00 0.00 C ATOM 901 C SER A 57 10.270 8.961 0.785 1.00 0.00 C ATOM 902 O SER A 57 10.471 9.566 1.834 1.00 0.00 O ATOM 903 CB SER A 57 12.407 8.028 -0.230 1.00 0.00 C ATOM 904 OG SER A 57 13.456 8.059 0.722 1.00 0.00 O ATOM 0 H SER A 57 10.661 6.559 -1.221 1.00 0.00 H new ATOM 0 HA SER A 57 11.332 7.245 1.434 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.617 7.280 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.334 8.990 -0.737 1.00 0.00 H new ATOM 0 HG SER A 57 14.301 8.265 0.271 1.00 0.00 H new ATOM 910 N ASP A 58 9.348 9.381 -0.089 1.00 0.00 N ATOM 911 CA ASP A 58 8.532 10.576 0.142 1.00 0.00 C ATOM 912 C ASP A 58 7.665 10.346 1.364 1.00 0.00 C ATOM 913 O ASP A 58 7.579 11.195 2.250 1.00 0.00 O ATOM 914 CB ASP A 58 7.650 10.926 -1.060 1.00 0.00 C ATOM 915 CG ASP A 58 8.486 11.339 -2.256 1.00 0.00 C ATOM 916 OD1 ASP A 58 8.288 10.762 -3.346 1.00 0.00 O ATOM 917 OD2 ASP A 58 9.366 12.210 -2.055 1.00 0.00 O ATOM 0 H ASP A 58 9.148 8.906 -0.969 1.00 0.00 H new ATOM 0 HA ASP A 58 9.206 11.418 0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.034 10.067 -1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.971 11.735 -0.792 1.00 0.00 H new ATOM 922 N TYR A 59 7.035 9.182 1.451 1.00 0.00 N ATOM 923 CA TYR A 59 6.186 8.834 2.577 1.00 0.00 C ATOM 924 C TYR A 59 7.007 8.317 3.769 1.00 0.00 C ATOM 925 O TYR A 59 6.433 7.985 4.804 1.00 0.00 O ATOM 926 CB TYR A 59 5.133 7.838 2.100 1.00 0.00 C ATOM 927 CG TYR A 59 4.108 8.465 1.169 1.00 0.00 C ATOM 928 CD1 TYR A 59 3.228 9.454 1.654 1.00 0.00 C ATOM 929 CD2 TYR A 59 3.986 8.018 -0.159 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.203 9.962 0.838 1.00 0.00 C ATOM 931 CE2 TYR A 59 2.971 8.535 -0.981 1.00 0.00 C ATOM 932 CZ TYR A 59 2.062 9.495 -0.487 1.00 0.00 C ATOM 933 OH TYR A 59 1.044 9.963 -1.262 1.00 0.00 O ATOM 0 H TYR A 59 7.100 8.453 0.740 1.00 0.00 H new ATOM 0 HA TYR A 59 5.677 9.724 2.948 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.626 7.013 1.587 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.621 7.415 2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.343 9.825 2.662 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.671 7.279 -0.546 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.524 10.708 1.224 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.885 8.194 -2.002 1.00 0.00 H new ATOM 0 HH TYR A 59 1.135 9.607 -2.171 1.00 0.00 H new ATOM 943 N ASN A 60 8.343 8.296 3.640 1.00 0.00 N ATOM 944 CA ASN A 60 9.333 7.854 4.615 1.00 0.00 C ATOM 945 C ASN A 60 9.044 6.434 5.089 1.00 0.00 C ATOM 946 O ASN A 60 9.045 6.138 6.284 1.00 0.00 O ATOM 947 CB ASN A 60 9.432 8.868 5.765 1.00 0.00 C ATOM 948 CG ASN A 60 10.601 8.612 6.712 1.00 0.00 C ATOM 949 OD1 ASN A 60 11.482 7.788 6.484 1.00 0.00 O ATOM 950 ND2 ASN A 60 10.661 9.391 7.778 1.00 0.00 N ATOM 0 H ASN A 60 8.787 8.615 2.779 1.00 0.00 H new ATOM 0 HA ASN A 60 10.313 7.815 4.139 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.528 9.870 5.347 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.503 8.848 6.335 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.447 9.312 8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.922 10.071 7.955 1.00 0.00 H new ATOM 957 N ILE A 61 8.780 5.554 4.135 1.00 0.00 N ATOM 958 CA ILE A 61 8.500 4.150 4.364 1.00 0.00 C ATOM 959 C ILE A 61 9.878 3.496 4.304 1.00 0.00 C ATOM 960 O ILE A 61 10.585 3.653 3.305 1.00 0.00 O ATOM 961 CB ILE A 61 7.545 3.643 3.259 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.178 4.360 3.347 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.316 2.126 3.366 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.325 4.244 2.086 1.00 0.00 C ATOM 0 H ILE A 61 8.755 5.809 3.148 1.00 0.00 H new ATOM 0 HA ILE A 61 8.004 3.930 5.310 1.00 0.00 H new ATOM 0 HB ILE A 61 8.017 3.865 2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.619 3.950 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.348 5.415 3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.640 1.803 2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.269 1.606 3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.877 1.892 4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.384 4.774 2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.860 4.681 1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.121 3.193 1.880 1.00 0.00 H new ATOM 976 N GLN A 62 10.285 2.806 5.370 1.00 0.00 N ATOM 977 CA GLN A 62 11.574 2.127 5.406 1.00 0.00 C ATOM 978 C GLN A 62 11.364 0.648 5.086 1.00 0.00 C ATOM 979 O GLN A 62 10.240 0.208 4.824 1.00 0.00 O ATOM 980 CB GLN A 62 12.307 2.401 6.732 1.00 0.00 C ATOM 981 CG GLN A 62 12.600 3.901 6.946 1.00 0.00 C ATOM 982 CD GLN A 62 13.313 4.539 5.754 1.00 0.00 C ATOM 983 OE1 GLN A 62 14.270 3.992 5.211 1.00 0.00 O ATOM 984 NE2 GLN A 62 12.869 5.693 5.289 1.00 0.00 N ATOM 0 H GLN A 62 9.735 2.704 6.223 1.00 0.00 H new ATOM 0 HA GLN A 62 12.241 2.523 4.640 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.703 2.030 7.560 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.245 1.845 6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.663 4.428 7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.213 4.023 7.839 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.075 6.151 5.736 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.320 6.126 4.483 1.00 0.00 H new ATOM 993 N LYS A 63 12.459 -0.114 5.026 1.00 0.00 N ATOM 994 CA LYS A 63 12.378 -1.534 4.715 1.00 0.00 C ATOM 995 C LYS A 63 11.619 -2.263 5.814 1.00 0.00 C ATOM 996 O LYS A 63 11.574 -1.807 6.956 1.00 0.00 O ATOM 997 CB LYS A 63 13.778 -2.128 4.488 1.00 0.00 C ATOM 998 CG LYS A 63 14.614 -2.285 5.766 1.00 0.00 C ATOM 999 CD LYS A 63 15.991 -2.856 5.418 1.00 0.00 C ATOM 1000 CE LYS A 63 16.812 -3.017 6.695 1.00 0.00 C ATOM 1001 NZ LYS A 63 18.259 -3.017 6.423 1.00 0.00 N ATOM 0 H LYS A 63 13.405 0.231 5.189 1.00 0.00 H new ATOM 0 HA LYS A 63 11.826 -1.664 3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.673 -3.104 4.015 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.321 -1.492 3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.725 -1.320 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.103 -2.945 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.882 -3.819 4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.506 -2.193 4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.573 -2.208 7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.536 -3.949 7.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.780 -3.128 7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.492 -3.805 5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.528 -2.118 5.975 1.00 0.00 H new ATOM 1015 N GLU A 64 11.052 -3.402 5.455 1.00 0.00 N ATOM 1016 CA GLU A 64 10.285 -4.295 6.297 1.00 0.00 C ATOM 1017 C GLU A 64 9.249 -3.572 7.181 1.00 0.00 C ATOM 1018 O GLU A 64 9.166 -3.771 8.397 1.00 0.00 O ATOM 1019 CB GLU A 64 11.227 -5.288 6.998 1.00 0.00 C ATOM 1020 CG GLU A 64 11.872 -6.289 6.014 1.00 0.00 C ATOM 1021 CD GLU A 64 13.015 -5.722 5.155 1.00 0.00 C ATOM 1022 OE1 GLU A 64 12.872 -5.564 3.919 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.122 -5.533 5.703 1.00 0.00 O ATOM 0 H GLU A 64 11.123 -3.749 4.498 1.00 0.00 H new ATOM 0 HA GLU A 64 9.631 -4.907 5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.012 -4.736 7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.670 -5.838 7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.253 -7.138 6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.097 -6.672 5.351 1.00 0.00 H new ATOM 1030 N SER A 65 8.528 -2.625 6.577 1.00 0.00 N ATOM 1031 CA SER A 65 7.457 -1.832 7.174 1.00 0.00 C ATOM 1032 C SER A 65 6.116 -2.578 7.019 1.00 0.00 C ATOM 1033 O SER A 65 6.046 -3.542 6.254 1.00 0.00 O ATOM 1034 CB SER A 65 7.448 -0.428 6.559 1.00 0.00 C ATOM 1035 OG SER A 65 7.669 -0.477 5.166 1.00 0.00 O ATOM 0 H SER A 65 8.688 -2.378 5.600 1.00 0.00 H new ATOM 0 HA SER A 65 7.624 -1.702 8.243 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.491 0.054 6.761 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.218 0.183 7.030 1.00 0.00 H new ATOM 0 HG SER A 65 8.461 0.055 4.942 1.00 0.00 H new ATOM 1041 N THR A 66 5.059 -2.193 7.750 1.00 0.00 N ATOM 1042 CA THR A 66 3.734 -2.819 7.662 1.00 0.00 C ATOM 1043 C THR A 66 2.690 -1.728 7.398 1.00 0.00 C ATOM 1044 O THR A 66 2.356 -0.933 8.281 1.00 0.00 O ATOM 1045 CB THR A 66 3.415 -3.694 8.888 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.509 -4.530 9.229 1.00 0.00 O ATOM 1047 CG2 THR A 66 2.209 -4.591 8.594 1.00 0.00 C ATOM 0 H THR A 66 5.102 -1.430 8.426 1.00 0.00 H new ATOM 0 HA THR A 66 3.716 -3.517 6.825 1.00 0.00 H new ATOM 0 HB THR A 66 3.203 -3.020 9.718 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.275 -5.071 10.012 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.991 -5.206 9.467 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.343 -3.971 8.362 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.433 -5.235 7.744 1.00 0.00 H new ATOM 1055 N LEU A 67 2.172 -1.692 6.172 1.00 0.00 N ATOM 1056 CA LEU A 67 1.188 -0.730 5.690 1.00 0.00 C ATOM 1057 C LEU A 67 -0.227 -1.313 5.787 1.00 0.00 C ATOM 1058 O LEU A 67 -0.393 -2.525 5.940 1.00 0.00 O ATOM 1059 CB LEU A 67 1.521 -0.396 4.220 1.00 0.00 C ATOM 1060 CG LEU A 67 2.852 0.360 3.991 1.00 0.00 C ATOM 1061 CD1 LEU A 67 4.130 -0.467 4.195 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.871 0.900 2.561 1.00 0.00 C ATOM 0 H LEU A 67 2.441 -2.366 5.455 1.00 0.00 H new ATOM 0 HA LEU A 67 1.223 0.172 6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.550 -1.326 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.708 0.203 3.809 1.00 0.00 H new ATOM 0 HG LEU A 67 2.870 1.142 4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.002 0.160 4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.163 -0.840 5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.133 -1.308 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.804 1.435 2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.791 0.071 1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.031 1.579 2.417 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.256 -0.463 5.716 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.675 -0.846 5.765 1.00 0.00 C ATOM 1076 C HIS A 68 -3.418 -0.443 4.487 1.00 0.00 C ATOM 1077 O HIS A 68 -2.956 0.423 3.745 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.371 -0.176 6.960 1.00 0.00 C ATOM 1079 CG HIS A 68 -3.204 -0.910 8.260 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -2.437 -0.499 9.324 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -3.874 -2.044 8.637 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -2.630 -1.372 10.322 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -3.499 -2.330 9.953 1.00 0.00 N ATOM 0 H HIS A 68 -1.123 0.544 5.620 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.706 -1.931 5.866 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.980 0.835 7.074 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.435 -0.084 6.742 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.564 -2.612 8.030 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.153 -1.314 11.289 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -3.821 -3.113 10.522 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.579 -1.061 4.237 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.462 -0.800 3.101 1.00 0.00 C ATOM 1093 C LEU A 69 -6.845 -0.431 3.655 1.00 0.00 C ATOM 1094 O LEU A 69 -7.351 -1.153 4.521 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.535 -2.016 2.165 1.00 0.00 C ATOM 1096 CG LEU A 69 -4.285 -2.198 1.285 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -4.234 -3.610 0.696 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -4.269 -1.195 0.124 1.00 0.00 C ATOM 0 H LEU A 69 -4.942 -1.790 4.851 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.072 0.024 2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.681 -2.915 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.409 -1.916 1.522 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.420 -2.029 1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.342 -3.714 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.203 -4.341 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.121 -3.782 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.374 -1.350 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.153 -1.342 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.269 -0.180 0.520 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.439 0.685 3.218 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.759 1.129 3.690 1.00 0.00 C ATOM 1112 C VAL A 70 -9.616 1.715 2.556 1.00 0.00 C ATOM 1113 O VAL A 70 -9.104 2.112 1.499 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.612 2.151 4.849 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.787 1.634 6.040 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -7.982 3.463 4.369 1.00 0.00 C ATOM 0 H VAL A 70 -7.020 1.307 2.527 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.279 0.247 4.063 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.634 2.317 5.191 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.731 2.407 6.807 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.263 0.745 6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.781 1.383 5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.895 4.153 5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.992 3.263 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.610 3.907 3.597 1.00 0.00 H new ATOM 1126 N LEU A 71 -10.927 1.807 2.808 1.00 0.00 N ATOM 1127 CA LEU A 71 -11.947 2.352 1.912 1.00 0.00 C ATOM 1128 C LEU A 71 -12.957 3.163 2.722 1.00 0.00 C ATOM 1129 O LEU A 71 -12.779 3.331 3.930 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.659 1.192 1.190 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.580 0.318 2.082 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -15.054 0.378 1.659 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -13.129 -1.138 2.054 1.00 0.00 C ATOM 0 H LEU A 71 -11.324 1.485 3.691 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.480 3.004 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.255 1.604 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.903 0.549 0.738 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.498 0.727 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.648 -0.253 2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.409 1.406 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.153 0.023 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.787 -1.735 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.170 -1.512 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.107 -1.209 2.426 1.00 0.00 H new ATOM 1145 N ARG A 72 -14.043 3.603 2.086 1.00 0.00 N ATOM 1146 CA ARG A 72 -15.133 4.347 2.693 1.00 0.00 C ATOM 1147 C ARG A 72 -16.329 4.166 1.775 1.00 0.00 C ATOM 1148 O ARG A 72 -16.212 4.379 0.564 1.00 0.00 O ATOM 1149 CB ARG A 72 -14.800 5.843 2.896 1.00 0.00 C ATOM 1150 CG ARG A 72 -15.406 6.304 4.229 1.00 0.00 C ATOM 1151 CD ARG A 72 -14.496 5.830 5.369 1.00 0.00 C ATOM 1152 NE ARG A 72 -15.210 5.628 6.631 1.00 0.00 N ATOM 1153 CZ ARG A 72 -14.836 4.758 7.576 1.00 0.00 C ATOM 1154 NH1 ARG A 72 -13.656 4.147 7.515 1.00 0.00 N ATOM 1155 NH2 ARG A 72 -15.647 4.496 8.584 1.00 0.00 N ATOM 0 H ARG A 72 -14.188 3.440 1.090 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.333 3.969 3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -13.720 5.993 2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.201 6.435 2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.500 7.390 4.247 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.409 5.895 4.350 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.016 4.896 5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -13.703 6.562 5.521 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.046 6.187 6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.022 4.339 6.740 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.386 3.486 8.243 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.555 4.956 8.641 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.365 3.833 9.306 1.00 0.00 H new ATOM 1169 N LEU A 73 -17.467 3.788 2.347 1.00 0.00 N ATOM 1170 CA LEU A 73 -18.710 3.556 1.628 1.00 0.00 C ATOM 1171 C LEU A 73 -19.849 4.055 2.500 1.00 0.00 C ATOM 1172 O LEU A 73 -19.817 3.873 3.720 1.00 0.00 O ATOM 1173 CB LEU A 73 -18.869 2.047 1.341 1.00 0.00 C ATOM 1174 CG LEU A 73 -18.670 1.705 -0.146 1.00 0.00 C ATOM 1175 CD1 LEU A 73 -18.461 0.199 -0.311 1.00 0.00 C ATOM 1176 CD2 LEU A 73 -19.883 2.145 -0.972 1.00 0.00 C ATOM 0 H LEU A 73 -17.550 3.631 3.351 1.00 0.00 H new ATOM 0 HA LEU A 73 -18.712 4.084 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.148 1.489 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -19.861 1.723 1.655 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.790 2.238 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.321 -0.035 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.579 -0.109 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.334 -0.333 0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -19.720 1.893 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.775 1.633 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -20.018 3.222 -0.874 1.00 0.00 H new ATOM 1188 N ARG A 74 -20.847 4.689 1.888 1.00 0.00 N ATOM 1189 CA ARG A 74 -22.026 5.215 2.573 1.00 0.00 C ATOM 1190 C ARG A 74 -23.247 4.346 2.282 1.00 0.00 C ATOM 1191 O ARG A 74 -24.253 4.463 2.993 1.00 0.00 O ATOM 1192 CB ARG A 74 -22.215 6.698 2.220 1.00 0.00 C ATOM 1193 CG ARG A 74 -20.998 7.575 2.571 1.00 0.00 C ATOM 1194 CD ARG A 74 -20.546 7.438 4.036 1.00 0.00 C ATOM 1195 NE ARG A 74 -21.588 7.896 4.967 1.00 0.00 N ATOM 1196 CZ ARG A 74 -21.748 9.147 5.408 1.00 0.00 C ATOM 1197 NH1 ARG A 74 -20.933 10.114 4.993 1.00 0.00 N ATOM 1198 NH2 ARG A 74 -22.732 9.424 6.254 1.00 0.00 N ATOM 0 H ARG A 74 -20.859 4.855 0.882 1.00 0.00 H new ATOM 0 HA ARG A 74 -21.885 5.171 3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -22.420 6.786 1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -23.091 7.079 2.745 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -20.168 7.310 1.916 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -21.242 8.618 2.370 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.301 6.397 4.246 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -19.636 8.018 4.193 1.00 0.00 H new ATOM 0 HE ARG A 74 -22.248 7.196 5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -20.183 9.901 4.336 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -21.059 11.068 5.332 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -23.361 8.684 6.564 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -22.859 10.377 6.594 1.00 0.00 H new ATOM 1212 N GLY A 75 -23.163 3.436 1.312 1.00 0.00 N ATOM 1213 CA GLY A 75 -24.235 2.513 0.961 1.00 0.00 C ATOM 1214 C GLY A 75 -24.228 1.295 1.899 1.00 0.00 C ATOM 1215 O GLY A 75 -24.811 0.259 1.576 1.00 0.00 O ATOM 0 H GLY A 75 -22.328 3.320 0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -25.196 3.023 1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -24.116 2.185 -0.072 1.00 0.00 H new ATOM 1219 N GLY A 76 -23.570 1.379 3.053 1.00 0.00 N ATOM 1220 CA GLY A 76 -23.443 0.347 4.056 1.00 0.00 C ATOM 1221 C GLY A 76 -22.365 0.852 4.977 1.00 0.00 C ATOM 1222 O GLY A 76 -22.669 1.810 5.720 1.00 0.00 O ATOM 0 H GLY A 76 -23.081 2.233 3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -24.381 0.193 4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -23.169 -0.609 3.610 1.00 0.00 H new TER 1226 GLY A 76