USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 476 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 1 THR N :NH3+ 143:sc= 0.246 (180deg=0.018) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 2 THR OG1 : rot -110:sc= -0.894 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -5.35! C(o=-5.3!,f=-11!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0487) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 94:sc= 0.897 USER MOD Single : A 46 LYS NZ :NH3+ 155:sc= 0.228 (180deg=0.0413) USER MOD Single : A 51 THR OG1 : rot 83:sc= 1.14 USER MOD Single : A 53 THR OG1 : rot 10:sc= 0.947 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 8.623 20.549 -3.170 1.00 0.00 N ATOM 2 CA THR A 1 7.983 19.831 -2.037 1.00 0.00 C ATOM 3 C THR A 1 7.430 18.480 -2.482 1.00 0.00 C ATOM 4 O THR A 1 7.165 18.263 -3.664 1.00 0.00 O ATOM 5 CB THR A 1 6.856 20.703 -1.487 1.00 0.00 C ATOM 6 OG1 THR A 1 7.244 22.063 -1.461 1.00 0.00 O ATOM 7 CG2 THR A 1 6.445 20.317 -0.079 1.00 0.00 C ATOM 0 H1 THR A 1 8.430 21.568 -3.089 1.00 0.00 H new ATOM 0 H2 THR A 1 9.650 20.388 -3.147 1.00 0.00 H new ATOM 0 H3 THR A 1 8.237 20.194 -4.068 1.00 0.00 H new ATOM 0 HA THR A 1 8.729 19.643 -1.264 1.00 0.00 H new ATOM 0 HB THR A 1 6.010 20.548 -2.157 1.00 0.00 H new ATOM 0 HG1 THR A 1 6.509 22.606 -1.107 1.00 0.00 H new ATOM 0 HG21 THR A 1 5.641 20.972 0.258 1.00 0.00 H new ATOM 0 HG22 THR A 1 6.099 19.283 -0.071 1.00 0.00 H new ATOM 0 HG23 THR A 1 7.299 20.418 0.590 1.00 0.00 H new ATOM 17 N THR A 2 7.262 17.570 -1.525 1.00 0.00 N ATOM 18 CA THR A 2 6.742 16.237 -1.817 1.00 0.00 C ATOM 19 C THR A 2 5.551 15.917 -0.926 1.00 0.00 C ATOM 20 O THR A 2 4.470 15.581 -1.408 1.00 0.00 O ATOM 21 CB THR A 2 7.837 15.192 -1.636 1.00 0.00 C ATOM 22 OG1 THR A 2 8.444 15.319 -0.364 1.00 0.00 O ATOM 23 CG2 THR A 2 8.932 15.277 -2.675 1.00 0.00 C ATOM 0 H THR A 2 7.478 17.732 -0.541 1.00 0.00 H new ATOM 0 HA THR A 2 6.408 16.218 -2.854 1.00 0.00 H new ATOM 0 HB THR A 2 7.334 14.231 -1.743 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.358 15.656 -0.470 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.676 14.504 -2.484 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.504 15.132 -3.667 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.406 16.257 -2.624 1.00 0.00 H new ATOM 31 N TYR A 3 5.760 16.006 0.386 1.00 0.00 N ATOM 32 CA TYR A 3 4.702 15.713 1.343 1.00 0.00 C ATOM 33 C TYR A 3 4.181 14.296 1.185 1.00 0.00 C ATOM 34 O TYR A 3 3.068 13.983 1.603 1.00 0.00 O ATOM 35 CB TYR A 3 3.555 16.720 1.191 1.00 0.00 C ATOM 36 CG TYR A 3 2.929 17.132 2.500 1.00 0.00 C ATOM 37 CD1 TYR A 3 1.984 16.341 3.127 1.00 0.00 C ATOM 38 CD2 TYR A 3 3.284 18.339 3.107 1.00 0.00 C ATOM 39 CE1 TYR A 3 1.411 16.722 4.327 1.00 0.00 C ATOM 40 CE2 TYR A 3 2.716 18.720 4.305 1.00 0.00 C ATOM 41 CZ TYR A 3 1.781 17.911 4.914 1.00 0.00 C ATOM 42 OH TYR A 3 1.212 18.288 6.103 1.00 0.00 O ATOM 0 H TYR A 3 6.649 16.278 0.807 1.00 0.00 H new ATOM 0 HA TYR A 3 5.126 15.801 2.343 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.929 17.608 0.682 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.786 16.287 0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.688 15.408 2.671 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.011 18.981 2.633 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.676 16.089 4.802 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.004 19.653 4.766 1.00 0.00 H new ATOM 0 HH TYR A 3 1.582 19.151 6.383 1.00 0.00 H new ATOM 52 N LYS A 4 4.992 13.438 0.571 1.00 0.00 N ATOM 53 CA LYS A 4 4.606 12.048 0.355 1.00 0.00 C ATOM 54 C LYS A 4 5.823 11.185 0.020 1.00 0.00 C ATOM 55 O LYS A 4 6.095 10.917 -1.151 1.00 0.00 O ATOM 56 CB LYS A 4 3.573 11.949 -0.769 1.00 0.00 C ATOM 57 CG LYS A 4 2.948 10.572 -0.904 1.00 0.00 C ATOM 58 CD LYS A 4 2.559 10.279 -2.345 1.00 0.00 C ATOM 59 CE LYS A 4 3.748 9.794 -3.157 1.00 0.00 C ATOM 60 NZ LYS A 4 3.696 10.271 -4.562 1.00 0.00 N ATOM 0 H LYS A 4 5.917 13.680 0.216 1.00 0.00 H new ATOM 0 HA LYS A 4 4.164 11.676 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.785 12.680 -0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.049 12.216 -1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.651 9.816 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.066 10.507 -0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.772 9.525 -2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.148 11.179 -2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.670 10.140 -2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.774 8.704 -3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.526 9.917 -5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.829 9.920 -5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.697 11.311 -4.576 1.00 0.00 H new ATOM 74 N LEU A 5 6.549 10.767 1.051 1.00 0.00 N ATOM 75 CA LEU A 5 7.736 9.944 0.863 1.00 0.00 C ATOM 76 C LEU A 5 7.687 8.719 1.767 1.00 0.00 C ATOM 77 O LEU A 5 7.767 7.586 1.294 1.00 0.00 O ATOM 78 CB LEU A 5 8.999 10.761 1.151 1.00 0.00 C ATOM 79 CG LEU A 5 9.049 12.132 0.495 1.00 0.00 C ATOM 80 CD1 LEU A 5 9.866 13.100 1.336 1.00 0.00 C ATOM 81 CD2 LEU A 5 9.620 12.032 -0.913 1.00 0.00 C ATOM 0 H LEU A 5 6.336 10.985 2.024 1.00 0.00 H new ATOM 0 HA LEU A 5 7.762 9.609 -0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 5 9.091 10.889 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 5 9.866 10.187 0.823 1.00 0.00 H new ATOM 0 HG LEU A 5 8.031 12.515 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.889 14.075 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.412 13.198 2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 5 10.883 12.722 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.648 13.023 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 5 10.630 11.625 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.991 11.376 -1.515 1.00 0.00 H new ATOM 93 N ILE A 6 7.555 8.956 3.067 1.00 0.00 N ATOM 94 CA ILE A 6 7.496 7.872 4.040 1.00 0.00 C ATOM 95 C ILE A 6 6.281 8.020 4.945 1.00 0.00 C ATOM 96 O ILE A 6 6.353 8.689 5.982 1.00 0.00 O ATOM 97 CB ILE A 6 8.771 7.818 4.898 1.00 0.00 C ATOM 98 CG1 ILE A 6 10.014 7.807 4.002 1.00 0.00 C ATOM 99 CG2 ILE A 6 8.751 6.592 5.800 1.00 0.00 C ATOM 100 CD1 ILE A 6 11.267 8.285 4.712 1.00 0.00 C ATOM 0 H ILE A 6 7.487 9.890 3.472 1.00 0.00 H new ATOM 0 HA ILE A 6 7.413 6.941 3.479 1.00 0.00 H new ATOM 0 HB ILE A 6 8.807 8.707 5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.178 6.795 3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.833 8.439 3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.660 6.568 6.401 1.00 0.00 H new ATOM 0 HG22 ILE A 6 7.883 6.638 6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.696 5.691 5.189 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.111 8.253 4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 6 11.121 9.308 5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.471 7.638 5.565 1.00 0.00 H new ATOM 112 N LEU A 7 5.175 7.404 4.566 1.00 0.00 N ATOM 113 CA LEU A 7 3.948 7.474 5.354 1.00 0.00 C ATOM 114 C LEU A 7 2.853 6.602 4.749 1.00 0.00 C ATOM 115 O LEU A 7 2.085 5.967 5.473 1.00 0.00 O ATOM 116 CB LEU A 7 3.462 8.919 5.445 1.00 0.00 C ATOM 117 CG LEU A 7 2.440 9.189 6.554 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.135 9.611 7.832 1.00 0.00 C ATOM 119 CD2 LEU A 7 1.443 10.244 6.112 1.00 0.00 C ATOM 0 H LEU A 7 5.097 6.847 3.715 1.00 0.00 H new ATOM 0 HA LEU A 7 4.171 7.102 6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.324 9.568 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.021 9.199 4.489 1.00 0.00 H new ATOM 0 HG LEU A 7 1.897 8.265 6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.391 9.798 8.606 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.808 8.818 8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.707 10.521 7.652 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.724 10.423 6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.970 11.170 5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.917 9.897 5.223 1.00 0.00 H new ATOM 131 N ASN A 8 2.782 6.574 3.422 1.00 0.00 N ATOM 132 CA ASN A 8 1.775 5.779 2.729 1.00 0.00 C ATOM 133 C ASN A 8 2.407 4.560 2.066 1.00 0.00 C ATOM 134 O ASN A 8 1.972 3.430 2.278 1.00 0.00 O ATOM 135 CB ASN A 8 1.048 6.627 1.682 1.00 0.00 C ATOM 136 CG ASN A 8 1.997 7.470 0.856 1.00 0.00 C ATOM 137 OD1 ASN A 8 2.892 8.124 1.390 1.00 0.00 O ATOM 138 ND2 ASN A 8 1.801 7.461 -0.456 1.00 0.00 N ATOM 0 H ASN A 8 3.409 7.092 2.806 1.00 0.00 H new ATOM 0 HA ASN A 8 1.051 5.435 3.468 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.479 5.973 1.021 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.330 7.278 2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.405 8.012 -1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.046 6.903 -0.855 1.00 0.00 H new ATOM 145 N LEU A 9 3.438 4.799 1.264 1.00 0.00 N ATOM 146 CA LEU A 9 4.138 3.729 0.569 1.00 0.00 C ATOM 147 C LEU A 9 4.917 2.861 1.554 1.00 0.00 C ATOM 148 O LEU A 9 4.826 1.633 1.525 1.00 0.00 O ATOM 149 CB LEU A 9 5.086 4.339 -0.470 1.00 0.00 C ATOM 150 CG LEU A 9 6.207 3.427 -0.966 1.00 0.00 C ATOM 151 CD1 LEU A 9 5.672 2.030 -1.200 1.00 0.00 C ATOM 152 CD2 LEU A 9 6.826 3.987 -2.238 1.00 0.00 C ATOM 0 H LEU A 9 3.808 5.731 1.079 1.00 0.00 H new ATOM 0 HA LEU A 9 3.408 3.093 0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.496 4.658 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.535 5.235 -0.042 1.00 0.00 H new ATOM 0 HG LEU A 9 6.985 3.379 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.478 1.386 -1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.273 1.632 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.880 2.064 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.623 3.325 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.062 4.062 -3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.237 4.976 -2.037 1.00 0.00 H new ATOM 164 N LYS A 10 5.681 3.513 2.423 1.00 0.00 N ATOM 165 CA LYS A 10 6.481 2.815 3.420 1.00 0.00 C ATOM 166 C LYS A 10 5.598 1.969 4.329 1.00 0.00 C ATOM 167 O LYS A 10 5.996 0.892 4.768 1.00 0.00 O ATOM 168 CB LYS A 10 7.283 3.820 4.252 1.00 0.00 C ATOM 169 CG LYS A 10 8.788 3.656 4.118 1.00 0.00 C ATOM 170 CD LYS A 10 9.390 2.999 5.350 1.00 0.00 C ATOM 171 CE LYS A 10 10.905 2.928 5.260 1.00 0.00 C ATOM 172 NZ LYS A 10 11.495 2.195 6.409 1.00 0.00 N ATOM 0 H LYS A 10 5.763 4.529 2.456 1.00 0.00 H new ATOM 0 HA LYS A 10 7.172 2.152 2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.008 4.831 3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.006 3.714 5.301 1.00 0.00 H new ATOM 0 HG2 LYS A 10 9.012 3.054 3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 10 9.249 4.632 3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.103 3.560 6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.984 1.994 5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 10 11.191 2.436 4.330 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.314 3.938 5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 12.530 2.169 6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.244 2.679 7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.125 1.223 6.428 1.00 0.00 H new ATOM 186 N GLN A 11 4.396 2.465 4.605 1.00 0.00 N ATOM 187 CA GLN A 11 3.457 1.751 5.462 1.00 0.00 C ATOM 188 C GLN A 11 2.598 0.795 4.644 1.00 0.00 C ATOM 189 O GLN A 11 2.187 -0.259 5.130 1.00 0.00 O ATOM 190 CB GLN A 11 2.569 2.740 6.218 1.00 0.00 C ATOM 191 CG GLN A 11 1.570 2.072 7.149 1.00 0.00 C ATOM 192 CD GLN A 11 1.505 2.735 8.511 1.00 0.00 C ATOM 193 OE1 GLN A 11 2.076 2.239 9.481 1.00 0.00 O ATOM 194 NE2 GLN A 11 0.806 3.860 8.583 1.00 0.00 N ATOM 0 H GLN A 11 4.050 3.356 4.249 1.00 0.00 H new ATOM 0 HA GLN A 11 4.030 1.168 6.183 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.201 3.412 6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.028 3.354 5.498 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.581 2.095 6.691 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.840 1.023 7.273 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.350 4.231 7.750 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.724 4.354 9.472 1.00 0.00 H new ATOM 203 N ALA A 12 2.340 1.162 3.397 1.00 0.00 N ATOM 204 CA ALA A 12 1.543 0.327 2.511 1.00 0.00 C ATOM 205 C ALA A 12 2.220 -1.018 2.313 1.00 0.00 C ATOM 206 O ALA A 12 1.562 -2.056 2.247 1.00 0.00 O ATOM 207 CB ALA A 12 1.329 1.022 1.172 1.00 0.00 C ATOM 0 H ALA A 12 2.670 2.031 2.977 1.00 0.00 H new ATOM 0 HA ALA A 12 0.568 0.162 2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.731 0.383 0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.808 1.966 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.294 1.214 0.704 1.00 0.00 H new ATOM 213 N LYS A 13 3.545 -0.991 2.228 1.00 0.00 N ATOM 214 CA LYS A 13 4.315 -2.213 2.046 1.00 0.00 C ATOM 215 C LYS A 13 4.590 -2.884 3.389 1.00 0.00 C ATOM 216 O LYS A 13 4.563 -4.111 3.486 1.00 0.00 O ATOM 217 CB LYS A 13 5.611 -1.929 1.265 1.00 0.00 C ATOM 218 CG LYS A 13 6.853 -1.661 2.108 1.00 0.00 C ATOM 219 CD LYS A 13 7.227 -0.194 2.053 1.00 0.00 C ATOM 220 CE LYS A 13 8.668 0.036 2.482 1.00 0.00 C ATOM 221 NZ LYS A 13 8.919 -0.449 3.867 1.00 0.00 N ATOM 0 H LYS A 13 4.105 -0.140 2.282 1.00 0.00 H new ATOM 0 HA LYS A 13 3.726 -2.911 1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.814 -2.780 0.615 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.441 -1.067 0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.669 -1.957 3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.683 -2.268 1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.085 0.180 1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.560 0.376 2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.338 -0.475 1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.899 1.100 2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.875 -0.169 4.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.219 -0.032 4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.839 -1.486 3.892 1.00 0.00 H new ATOM 235 N GLU A 14 4.835 -2.083 4.429 1.00 0.00 N ATOM 236 CA GLU A 14 5.093 -2.629 5.759 1.00 0.00 C ATOM 237 C GLU A 14 3.902 -3.475 6.202 1.00 0.00 C ATOM 238 O GLU A 14 4.061 -4.615 6.648 1.00 0.00 O ATOM 239 CB GLU A 14 5.393 -1.504 6.767 1.00 0.00 C ATOM 240 CG GLU A 14 4.189 -0.987 7.543 1.00 0.00 C ATOM 241 CD GLU A 14 3.779 -1.906 8.676 1.00 0.00 C ATOM 242 OE1 GLU A 14 4.662 -2.307 9.465 1.00 0.00 O ATOM 243 OE2 GLU A 14 2.575 -2.228 8.776 1.00 0.00 O ATOM 0 H GLU A 14 4.860 -1.065 4.375 1.00 0.00 H new ATOM 0 HA GLU A 14 5.976 -3.267 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.135 -1.865 7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.845 -0.669 6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.419 -0.001 7.947 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.349 -0.863 6.860 1.00 0.00 H new ATOM 250 N GLU A 15 2.705 -2.922 6.032 1.00 0.00 N ATOM 251 CA GLU A 15 1.488 -3.637 6.368 1.00 0.00 C ATOM 252 C GLU A 15 1.342 -4.816 5.426 1.00 0.00 C ATOM 253 O GLU A 15 0.836 -5.875 5.799 1.00 0.00 O ATOM 254 CB GLU A 15 0.274 -2.718 6.240 1.00 0.00 C ATOM 255 CG GLU A 15 -1.027 -3.372 6.674 1.00 0.00 C ATOM 256 CD GLU A 15 -2.247 -2.559 6.284 1.00 0.00 C ATOM 257 OE1 GLU A 15 -2.415 -2.281 5.078 1.00 0.00 O ATOM 258 OE2 GLU A 15 -3.035 -2.201 7.186 1.00 0.00 O ATOM 0 H GLU A 15 2.556 -1.982 5.664 1.00 0.00 H new ATOM 0 HA GLU A 15 1.545 -3.986 7.399 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.440 -1.823 6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.181 -2.394 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.098 -4.364 6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.017 -3.510 7.755 1.00 0.00 H new ATOM 265 N ALA A 16 1.810 -4.618 4.198 1.00 0.00 N ATOM 266 CA ALA A 16 1.759 -5.651 3.187 1.00 0.00 C ATOM 267 C ALA A 16 2.621 -6.838 3.597 1.00 0.00 C ATOM 268 O ALA A 16 2.258 -7.990 3.363 1.00 0.00 O ATOM 269 CB ALA A 16 2.205 -5.100 1.846 1.00 0.00 C ATOM 0 H ALA A 16 2.230 -3.743 3.884 1.00 0.00 H new ATOM 0 HA ALA A 16 0.729 -5.994 3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.161 -5.889 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.547 -4.282 1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.228 -4.732 1.926 1.00 0.00 H new ATOM 275 N ILE A 17 3.760 -6.554 4.235 1.00 0.00 N ATOM 276 CA ILE A 17 4.644 -7.615 4.696 1.00 0.00 C ATOM 277 C ILE A 17 3.899 -8.481 5.693 1.00 0.00 C ATOM 278 O ILE A 17 3.842 -9.702 5.559 1.00 0.00 O ATOM 279 CB ILE A 17 5.925 -7.067 5.362 1.00 0.00 C ATOM 280 CG1 ILE A 17 6.500 -5.887 4.574 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.961 -8.171 5.496 1.00 0.00 C ATOM 282 CD1 ILE A 17 6.522 -6.097 3.073 1.00 0.00 C ATOM 0 H ILE A 17 4.084 -5.609 4.440 1.00 0.00 H new ATOM 0 HA ILE A 17 4.948 -8.194 3.824 1.00 0.00 H new ATOM 0 HB ILE A 17 5.661 -6.707 6.356 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.914 -4.995 4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.516 -5.695 4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.859 -7.772 5.967 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.557 -8.976 6.109 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.211 -8.558 4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.943 -5.216 2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.133 -6.968 2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.506 -6.258 2.713 1.00 0.00 H new ATOM 294 N LYS A 18 3.300 -7.825 6.680 1.00 0.00 N ATOM 295 CA LYS A 18 2.520 -8.515 7.695 1.00 0.00 C ATOM 296 C LYS A 18 1.403 -9.322 7.032 1.00 0.00 C ATOM 297 O LYS A 18 1.013 -10.381 7.520 1.00 0.00 O ATOM 298 CB LYS A 18 1.976 -7.502 8.722 1.00 0.00 C ATOM 299 CG LYS A 18 0.465 -7.340 8.734 1.00 0.00 C ATOM 300 CD LYS A 18 -0.016 -6.714 10.032 1.00 0.00 C ATOM 301 CE LYS A 18 -1.533 -6.748 10.140 1.00 0.00 C ATOM 302 NZ LYS A 18 -2.078 -5.482 10.704 1.00 0.00 N ATOM 0 H LYS A 18 3.341 -6.813 6.797 1.00 0.00 H new ATOM 0 HA LYS A 18 3.155 -9.216 8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.300 -7.808 9.717 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.428 -6.530 8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.158 -6.718 7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.008 -8.313 8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.422 -7.245 10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.331 -5.682 10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.963 -6.921 9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.833 -7.585 10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.114 -5.545 10.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.687 -5.329 11.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.813 -4.686 10.089 1.00 0.00 H new ATOM 316 N GLU A 19 0.897 -8.809 5.911 1.00 0.00 N ATOM 317 CA GLU A 19 -0.168 -9.474 5.169 1.00 0.00 C ATOM 318 C GLU A 19 0.283 -10.842 4.670 1.00 0.00 C ATOM 319 O GLU A 19 -0.385 -11.849 4.905 1.00 0.00 O ATOM 320 CB GLU A 19 -0.601 -8.601 3.983 1.00 0.00 C ATOM 321 CG GLU A 19 -2.033 -8.098 4.075 1.00 0.00 C ATOM 322 CD GLU A 19 -2.257 -7.191 5.269 1.00 0.00 C ATOM 323 OE1 GLU A 19 -1.944 -7.612 6.403 1.00 0.00 O ATOM 324 OE2 GLU A 19 -2.744 -6.058 5.070 1.00 0.00 O ATOM 0 H GLU A 19 1.211 -7.931 5.497 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.014 -9.619 5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.070 -7.745 3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.486 -9.174 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.284 -7.559 3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.710 -8.950 4.139 1.00 0.00 H new ATOM 331 N LEU A 20 1.419 -10.875 3.981 1.00 0.00 N ATOM 332 CA LEU A 20 1.946 -12.128 3.455 1.00 0.00 C ATOM 333 C LEU A 20 2.652 -12.920 4.551 1.00 0.00 C ATOM 334 O LEU A 20 2.681 -14.149 4.518 1.00 0.00 O ATOM 335 CB LEU A 20 2.908 -11.866 2.292 1.00 0.00 C ATOM 336 CG LEU A 20 2.815 -12.861 1.125 1.00 0.00 C ATOM 337 CD1 LEU A 20 2.333 -12.158 -0.132 1.00 0.00 C ATOM 338 CD2 LEU A 20 4.159 -13.532 0.877 1.00 0.00 C ATOM 0 H LEU A 20 1.989 -10.054 3.775 1.00 0.00 H new ATOM 0 HA LEU A 20 1.106 -12.717 3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.723 -10.863 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.928 -11.877 2.676 1.00 0.00 H new ATOM 0 HG LEU A 20 2.093 -13.633 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.272 -12.876 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.348 -11.728 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.033 -11.365 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.068 -14.232 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.904 -12.775 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.468 -14.070 1.773 1.00 0.00 H new ATOM 350 N VAL A 21 3.214 -12.210 5.527 1.00 0.00 N ATOM 351 CA VAL A 21 3.909 -12.858 6.634 1.00 0.00 C ATOM 352 C VAL A 21 2.931 -13.678 7.463 1.00 0.00 C ATOM 353 O VAL A 21 3.289 -14.720 8.012 1.00 0.00 O ATOM 354 CB VAL A 21 4.625 -11.831 7.539 1.00 0.00 C ATOM 355 CG1 VAL A 21 5.165 -12.494 8.800 1.00 0.00 C ATOM 356 CG2 VAL A 21 5.747 -11.143 6.777 1.00 0.00 C ATOM 0 H VAL A 21 3.201 -11.191 5.573 1.00 0.00 H new ATOM 0 HA VAL A 21 4.665 -13.516 6.205 1.00 0.00 H new ATOM 0 HB VAL A 21 3.895 -11.079 7.840 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.664 -11.748 9.418 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.341 -12.937 9.360 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.877 -13.272 8.525 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.241 -10.423 7.429 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.471 -11.887 6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.335 -10.625 5.911 1.00 0.00 H new ATOM 366 N ASP A 22 1.693 -13.209 7.540 1.00 0.00 N ATOM 367 CA ASP A 22 0.668 -13.916 8.290 1.00 0.00 C ATOM 368 C ASP A 22 -0.052 -14.906 7.384 1.00 0.00 C ATOM 369 O ASP A 22 -0.388 -16.015 7.799 1.00 0.00 O ATOM 370 CB ASP A 22 -0.331 -12.932 8.906 1.00 0.00 C ATOM 371 CG ASP A 22 -0.248 -12.895 10.419 1.00 0.00 C ATOM 372 OD1 ASP A 22 0.809 -13.280 10.966 1.00 0.00 O ATOM 373 OD2 ASP A 22 -1.239 -12.483 11.059 1.00 0.00 O ATOM 0 H ASP A 22 1.377 -12.347 7.095 1.00 0.00 H new ATOM 0 HA ASP A 22 1.148 -14.464 9.101 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.144 -11.934 8.510 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.342 -13.210 8.607 1.00 0.00 H new ATOM 378 N ALA A 23 -0.276 -14.502 6.135 1.00 0.00 N ATOM 379 CA ALA A 23 -0.942 -15.362 5.166 1.00 0.00 C ATOM 380 C ALA A 23 0.006 -16.443 4.650 1.00 0.00 C ATOM 381 O ALA A 23 -0.430 -17.425 4.049 1.00 0.00 O ATOM 382 CB ALA A 23 -1.481 -14.534 4.010 1.00 0.00 C ATOM 0 H ALA A 23 -0.006 -13.587 5.774 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.776 -15.855 5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.976 -15.189 3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.196 -13.803 4.388 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.658 -14.015 3.519 1.00 0.00 H new ATOM 388 N GLY A 24 1.302 -16.261 4.899 1.00 0.00 N ATOM 389 CA GLY A 24 2.295 -17.230 4.463 1.00 0.00 C ATOM 390 C GLY A 24 2.128 -17.638 3.009 1.00 0.00 C ATOM 391 O GLY A 24 1.317 -18.509 2.696 1.00 0.00 O ATOM 0 H GLY A 24 1.683 -15.456 5.397 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.291 -16.810 4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.230 -18.117 5.093 1.00 0.00 H new ATOM 395 N ILE A 25 2.900 -17.018 2.116 1.00 0.00 N ATOM 396 CA ILE A 25 2.822 -17.341 0.690 1.00 0.00 C ATOM 397 C ILE A 25 4.085 -16.894 -0.046 1.00 0.00 C ATOM 398 O ILE A 25 5.097 -16.576 0.577 1.00 0.00 O ATOM 399 CB ILE A 25 1.577 -16.716 0.000 1.00 0.00 C ATOM 400 CG1 ILE A 25 0.596 -16.110 1.018 1.00 0.00 C ATOM 401 CG2 ILE A 25 0.867 -17.767 -0.842 1.00 0.00 C ATOM 402 CD1 ILE A 25 -0.613 -15.460 0.383 1.00 0.00 C ATOM 0 H ILE A 25 3.581 -16.296 2.351 1.00 0.00 H new ATOM 0 HA ILE A 25 2.729 -18.425 0.632 1.00 0.00 H new ATOM 0 HB ILE A 25 1.928 -15.907 -0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.261 -16.893 1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.122 -15.369 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.004 -17.321 -1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.549 -18.143 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.547 -18.590 -0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.259 -15.055 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.289 -14.654 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.163 -16.202 -0.196 1.00 0.00 H new ATOM 414 N ALA A 26 4.022 -16.881 -1.378 1.00 0.00 N ATOM 415 CA ALA A 26 5.161 -16.484 -2.204 1.00 0.00 C ATOM 416 C ALA A 26 5.791 -15.185 -1.715 1.00 0.00 C ATOM 417 O ALA A 26 5.357 -14.096 -2.088 1.00 0.00 O ATOM 418 CB ALA A 26 4.739 -16.341 -3.660 1.00 0.00 C ATOM 0 H ALA A 26 3.191 -17.142 -1.909 1.00 0.00 H new ATOM 0 HA ALA A 26 5.911 -17.271 -2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.599 -16.045 -4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.354 -17.294 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.961 -15.581 -3.741 1.00 0.00 H new ATOM 424 N GLU A 27 6.827 -15.308 -0.889 1.00 0.00 N ATOM 425 CA GLU A 27 7.525 -14.138 -0.365 1.00 0.00 C ATOM 426 C GLU A 27 7.919 -13.196 -1.503 1.00 0.00 C ATOM 427 O GLU A 27 8.043 -11.985 -1.312 1.00 0.00 O ATOM 428 CB GLU A 27 8.767 -14.563 0.421 1.00 0.00 C ATOM 429 CG GLU A 27 8.456 -15.450 1.617 1.00 0.00 C ATOM 430 CD GLU A 27 8.548 -14.706 2.935 1.00 0.00 C ATOM 431 OE1 GLU A 27 9.432 -13.831 3.063 1.00 0.00 O ATOM 432 OE2 GLU A 27 7.739 -14.997 3.839 1.00 0.00 O ATOM 0 H GLU A 27 7.200 -16.202 -0.569 1.00 0.00 H new ATOM 0 HA GLU A 27 6.850 -13.609 0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.446 -15.093 -0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.291 -13.672 0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.454 -15.864 1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.148 -16.292 1.630 1.00 0.00 H new ATOM 439 N LYS A 28 8.099 -13.766 -2.691 1.00 0.00 N ATOM 440 CA LYS A 28 8.455 -12.988 -3.876 1.00 0.00 C ATOM 441 C LYS A 28 7.560 -11.753 -3.981 1.00 0.00 C ATOM 442 O LYS A 28 8.030 -10.637 -4.240 1.00 0.00 O ATOM 443 CB LYS A 28 8.322 -13.869 -5.132 1.00 0.00 C ATOM 444 CG LYS A 28 8.141 -13.103 -6.436 1.00 0.00 C ATOM 445 CD LYS A 28 9.364 -13.230 -7.331 1.00 0.00 C ATOM 446 CE LYS A 28 9.391 -12.144 -8.394 1.00 0.00 C ATOM 447 NZ LYS A 28 10.084 -10.915 -7.916 1.00 0.00 N ATOM 0 H LYS A 28 8.004 -14.767 -2.860 1.00 0.00 H new ATOM 0 HA LYS A 28 9.489 -12.653 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.211 -14.494 -5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.472 -14.539 -5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.263 -13.479 -6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.955 -12.051 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.268 -13.170 -6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.366 -14.209 -7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.893 -12.521 -9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.370 -11.895 -8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.081 -10.199 -8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.590 -10.540 -7.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.066 -11.146 -7.663 1.00 0.00 H new ATOM 461 N TYR A 29 6.268 -11.958 -3.766 1.00 0.00 N ATOM 462 CA TYR A 29 5.317 -10.865 -3.826 1.00 0.00 C ATOM 463 C TYR A 29 5.663 -9.811 -2.776 1.00 0.00 C ATOM 464 O TYR A 29 5.461 -8.612 -2.986 1.00 0.00 O ATOM 465 CB TYR A 29 3.894 -11.378 -3.640 1.00 0.00 C ATOM 466 CG TYR A 29 3.162 -11.584 -4.946 1.00 0.00 C ATOM 467 CD1 TYR A 29 3.217 -12.803 -5.610 1.00 0.00 C ATOM 468 CD2 TYR A 29 2.414 -10.560 -5.514 1.00 0.00 C ATOM 469 CE1 TYR A 29 2.548 -12.995 -6.804 1.00 0.00 C ATOM 470 CE2 TYR A 29 1.742 -10.745 -6.706 1.00 0.00 C ATOM 471 CZ TYR A 29 1.811 -11.963 -7.348 1.00 0.00 C ATOM 472 OH TYR A 29 1.145 -12.150 -8.536 1.00 0.00 O ATOM 0 H TYR A 29 5.859 -12.867 -3.550 1.00 0.00 H new ATOM 0 HA TYR A 29 5.376 -10.402 -4.811 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.923 -12.321 -3.094 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.337 -10.671 -3.026 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.792 -13.613 -5.186 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.357 -9.604 -5.015 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.602 -13.948 -7.309 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.165 -9.939 -7.134 1.00 0.00 H new ATOM 0 HH TYR A 29 0.674 -11.326 -8.780 1.00 0.00 H new ATOM 482 N ILE A 30 6.224 -10.265 -1.657 1.00 0.00 N ATOM 483 CA ILE A 30 6.636 -9.351 -0.604 1.00 0.00 C ATOM 484 C ILE A 30 7.700 -8.405 -1.140 1.00 0.00 C ATOM 485 O ILE A 30 7.851 -7.287 -0.659 1.00 0.00 O ATOM 486 CB ILE A 30 7.200 -10.088 0.628 1.00 0.00 C ATOM 487 CG1 ILE A 30 6.210 -11.141 1.125 1.00 0.00 C ATOM 488 CG2 ILE A 30 7.521 -9.096 1.736 1.00 0.00 C ATOM 489 CD1 ILE A 30 6.698 -11.899 2.341 1.00 0.00 C ATOM 0 H ILE A 30 6.401 -11.250 -1.461 1.00 0.00 H new ATOM 0 HA ILE A 30 5.749 -8.801 -0.289 1.00 0.00 H new ATOM 0 HB ILE A 30 8.120 -10.594 0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.264 -10.655 1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.010 -11.849 0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.918 -9.630 2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.262 -8.380 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.613 -8.566 2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.947 -12.630 2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.628 -12.413 2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.871 -11.201 3.160 1.00 0.00 H new ATOM 501 N LYS A 31 8.434 -8.864 -2.154 1.00 0.00 N ATOM 502 CA LYS A 31 9.474 -8.048 -2.761 1.00 0.00 C ATOM 503 C LYS A 31 8.857 -6.959 -3.633 1.00 0.00 C ATOM 504 O LYS A 31 9.370 -5.843 -3.689 1.00 0.00 O ATOM 505 CB LYS A 31 10.435 -8.904 -3.589 1.00 0.00 C ATOM 506 CG LYS A 31 11.528 -8.097 -4.276 1.00 0.00 C ATOM 507 CD LYS A 31 11.884 -8.681 -5.635 1.00 0.00 C ATOM 508 CE LYS A 31 13.376 -8.957 -5.751 1.00 0.00 C ATOM 509 NZ LYS A 31 13.729 -10.314 -5.251 1.00 0.00 N ATOM 0 H LYS A 31 8.325 -9.790 -2.567 1.00 0.00 H new ATOM 0 HA LYS A 31 10.042 -7.578 -1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.897 -9.648 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.867 -9.448 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.198 -7.065 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.416 -8.075 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.329 -9.606 -5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.579 -7.989 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.683 -8.862 -6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.929 -8.207 -5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.754 -10.464 -5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.459 -10.396 -4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.221 -11.032 -5.806 1.00 0.00 H new ATOM 523 N LEU A 32 7.749 -7.278 -4.304 1.00 0.00 N ATOM 524 CA LEU A 32 7.086 -6.285 -5.156 1.00 0.00 C ATOM 525 C LEU A 32 6.632 -5.100 -4.315 1.00 0.00 C ATOM 526 O LEU A 32 6.641 -3.956 -4.770 1.00 0.00 O ATOM 527 CB LEU A 32 5.880 -6.867 -5.908 1.00 0.00 C ATOM 528 CG LEU A 32 5.835 -8.386 -6.006 1.00 0.00 C ATOM 529 CD1 LEU A 32 4.615 -8.841 -6.788 1.00 0.00 C ATOM 530 CD2 LEU A 32 7.110 -8.921 -6.640 1.00 0.00 C ATOM 0 H LEU A 32 7.299 -8.193 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 32 7.816 -5.964 -5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.969 -6.526 -5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.871 -6.455 -6.917 1.00 0.00 H new ATOM 0 HG LEU A 32 5.760 -8.789 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.604 -9.929 -6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.711 -8.495 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.653 -8.426 -7.795 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.058 -10.008 -6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.220 -8.506 -7.642 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.967 -8.632 -6.032 1.00 0.00 H new ATOM 542 N ILE A 33 6.246 -5.388 -3.079 1.00 0.00 N ATOM 543 CA ILE A 33 5.795 -4.351 -2.154 1.00 0.00 C ATOM 544 C ILE A 33 6.955 -3.826 -1.323 1.00 0.00 C ATOM 545 O ILE A 33 7.124 -2.615 -1.165 1.00 0.00 O ATOM 546 CB ILE A 33 4.705 -4.863 -1.193 1.00 0.00 C ATOM 547 CG1 ILE A 33 4.968 -6.315 -0.811 1.00 0.00 C ATOM 548 CG2 ILE A 33 3.326 -4.703 -1.811 1.00 0.00 C ATOM 549 CD1 ILE A 33 3.990 -6.855 0.193 1.00 0.00 C ATOM 0 H ILE A 33 6.235 -6.331 -2.691 1.00 0.00 H new ATOM 0 HA ILE A 33 5.378 -3.553 -2.769 1.00 0.00 H new ATOM 0 HB ILE A 33 4.737 -4.263 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.932 -6.931 -1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.977 -6.399 -0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.571 -5.071 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.142 -3.650 -2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.274 -5.274 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.236 -7.892 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.042 -6.262 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.981 -6.803 -0.217 1.00 0.00 H new ATOM 561 N ALA A 34 7.750 -4.746 -0.788 1.00 0.00 N ATOM 562 CA ALA A 34 8.892 -4.382 0.035 1.00 0.00 C ATOM 563 C ALA A 34 9.863 -3.501 -0.742 1.00 0.00 C ATOM 564 O ALA A 34 10.561 -2.668 -0.164 1.00 0.00 O ATOM 565 CB ALA A 34 9.602 -5.628 0.541 1.00 0.00 C ATOM 0 H ALA A 34 7.622 -5.750 -0.911 1.00 0.00 H new ATOM 0 HA ALA A 34 8.525 -3.816 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.454 -5.337 1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.911 -6.223 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.950 -6.218 -0.307 1.00 0.00 H new ATOM 571 N ASN A 35 9.902 -3.692 -2.059 1.00 0.00 N ATOM 572 CA ASN A 35 10.787 -2.915 -2.915 1.00 0.00 C ATOM 573 C ASN A 35 10.144 -1.586 -3.315 1.00 0.00 C ATOM 574 O ASN A 35 10.793 -0.733 -3.920 1.00 0.00 O ATOM 575 CB ASN A 35 11.163 -3.732 -4.157 1.00 0.00 C ATOM 576 CG ASN A 35 11.957 -2.927 -5.170 1.00 0.00 C ATOM 577 OD1 ASN A 35 12.722 -2.033 -4.807 1.00 0.00 O ATOM 578 ND2 ASN A 35 11.776 -3.241 -6.447 1.00 0.00 N ATOM 0 H ASN A 35 9.331 -4.378 -2.553 1.00 0.00 H new ATOM 0 HA ASN A 35 11.694 -2.686 -2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.746 -4.601 -3.852 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.255 -4.107 -4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.281 -2.734 -7.173 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.132 -3.990 -6.702 1.00 0.00 H new ATOM 585 N ALA A 36 8.868 -1.407 -2.964 1.00 0.00 N ATOM 586 CA ALA A 36 8.152 -0.175 -3.279 1.00 0.00 C ATOM 587 C ALA A 36 8.277 0.176 -4.769 1.00 0.00 C ATOM 588 O ALA A 36 8.187 -0.709 -5.620 1.00 0.00 O ATOM 589 CB ALA A 36 8.669 0.956 -2.400 1.00 0.00 C ATOM 0 H ALA A 36 8.313 -2.100 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 36 7.092 -0.323 -3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.133 1.875 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.511 0.703 -1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.734 1.100 -2.582 1.00 0.00 H new ATOM 595 N LYS A 37 8.476 1.467 -5.075 1.00 0.00 N ATOM 596 CA LYS A 37 8.611 1.944 -6.457 1.00 0.00 C ATOM 597 C LYS A 37 7.264 2.395 -7.016 1.00 0.00 C ATOM 598 O LYS A 37 7.207 3.217 -7.931 1.00 0.00 O ATOM 599 CB LYS A 37 9.224 0.873 -7.367 1.00 0.00 C ATOM 600 CG LYS A 37 10.070 1.444 -8.494 1.00 0.00 C ATOM 601 CD LYS A 37 9.610 0.940 -9.855 1.00 0.00 C ATOM 602 CE LYS A 37 8.967 2.049 -10.673 1.00 0.00 C ATOM 603 NZ LYS A 37 9.984 2.880 -11.377 1.00 0.00 N ATOM 0 H LYS A 37 8.547 2.205 -4.375 1.00 0.00 H new ATOM 0 HA LYS A 37 9.286 2.799 -6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.839 0.205 -6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.423 0.270 -7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.018 2.533 -8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.114 1.172 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.461 0.532 -10.400 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.898 0.126 -9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.285 1.613 -11.403 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.369 2.683 -10.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.506 3.625 -11.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.619 3.317 -10.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.538 2.280 -12.021 1.00 0.00 H new ATOM 617 N THR A 38 6.183 1.857 -6.462 1.00 0.00 N ATOM 618 CA THR A 38 4.842 2.211 -6.906 1.00 0.00 C ATOM 619 C THR A 38 3.868 2.197 -5.733 1.00 0.00 C ATOM 620 O THR A 38 3.141 1.226 -5.533 1.00 0.00 O ATOM 621 CB THR A 38 4.368 1.241 -7.990 1.00 0.00 C ATOM 622 OG1 THR A 38 4.803 -0.077 -7.709 1.00 0.00 O ATOM 623 CG2 THR A 38 4.862 1.604 -9.374 1.00 0.00 C ATOM 0 H THR A 38 6.210 1.174 -5.705 1.00 0.00 H new ATOM 0 HA THR A 38 4.874 3.218 -7.322 1.00 0.00 H new ATOM 0 HB THR A 38 3.280 1.307 -7.982 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.488 -0.682 -8.413 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.490 0.876 -10.095 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.500 2.597 -9.641 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.952 1.600 -9.384 1.00 0.00 H new ATOM 631 N VAL A 39 3.862 3.283 -4.961 1.00 0.00 N ATOM 632 CA VAL A 39 2.977 3.401 -3.798 1.00 0.00 C ATOM 633 C VAL A 39 1.576 2.869 -4.098 1.00 0.00 C ATOM 634 O VAL A 39 1.018 2.087 -3.321 1.00 0.00 O ATOM 635 CB VAL A 39 2.870 4.863 -3.317 1.00 0.00 C ATOM 636 CG1 VAL A 39 2.247 5.743 -4.391 1.00 0.00 C ATOM 637 CG2 VAL A 39 2.077 4.945 -2.018 1.00 0.00 C ATOM 0 H VAL A 39 4.459 4.095 -5.118 1.00 0.00 H new ATOM 0 HA VAL A 39 3.423 2.796 -3.008 1.00 0.00 H new ATOM 0 HB VAL A 39 3.877 5.232 -3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.182 6.769 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.865 5.714 -5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.247 5.377 -4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.013 5.984 -1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.073 4.553 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.577 4.357 -1.249 1.00 0.00 H new ATOM 647 N GLU A 40 1.014 3.282 -5.232 1.00 0.00 N ATOM 648 CA GLU A 40 -0.317 2.827 -5.623 1.00 0.00 C ATOM 649 C GLU A 40 -0.319 1.313 -5.778 1.00 0.00 C ATOM 650 O GLU A 40 -1.249 0.637 -5.342 1.00 0.00 O ATOM 651 CB GLU A 40 -0.791 3.504 -6.920 1.00 0.00 C ATOM 652 CG GLU A 40 -0.202 4.886 -7.149 1.00 0.00 C ATOM 653 CD GLU A 40 -0.963 5.678 -8.197 1.00 0.00 C ATOM 654 OE1 GLU A 40 -2.174 5.905 -7.999 1.00 0.00 O ATOM 655 OE2 GLU A 40 -0.346 6.061 -9.209 1.00 0.00 O ATOM 0 H GLU A 40 1.455 3.925 -5.890 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.016 3.109 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.533 2.866 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.878 3.583 -6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.204 5.438 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.838 4.787 -7.458 1.00 0.00 H new ATOM 662 N GLY A 41 0.738 0.784 -6.383 1.00 0.00 N ATOM 663 CA GLY A 41 0.839 -0.651 -6.558 1.00 0.00 C ATOM 664 C GLY A 41 1.125 -1.369 -5.254 1.00 0.00 C ATOM 665 O GLY A 41 0.541 -2.407 -4.978 1.00 0.00 O ATOM 0 H GLY A 41 1.523 1.320 -6.753 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.091 -1.030 -6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.630 -0.873 -7.274 1.00 0.00 H new ATOM 669 N VAL A 42 2.025 -0.813 -4.442 1.00 0.00 N ATOM 670 CA VAL A 42 2.372 -1.411 -3.159 1.00 0.00 C ATOM 671 C VAL A 42 1.120 -1.834 -2.399 1.00 0.00 C ATOM 672 O VAL A 42 1.055 -2.936 -1.851 1.00 0.00 O ATOM 673 CB VAL A 42 3.185 -0.431 -2.296 1.00 0.00 C ATOM 674 CG1 VAL A 42 3.683 -1.116 -1.034 1.00 0.00 C ATOM 675 CG2 VAL A 42 4.350 0.137 -3.095 1.00 0.00 C ATOM 0 H VAL A 42 2.525 0.051 -4.653 1.00 0.00 H new ATOM 0 HA VAL A 42 2.980 -2.292 -3.364 1.00 0.00 H new ATOM 0 HB VAL A 42 2.535 0.393 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.256 -0.407 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.832 -1.474 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.319 -1.959 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.916 0.829 -2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.000 -0.676 -3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.969 0.665 -3.969 1.00 0.00 H new ATOM 685 N TRP A 43 0.118 -0.958 -2.380 1.00 0.00 N ATOM 686 CA TRP A 43 -1.127 -1.263 -1.689 1.00 0.00 C ATOM 687 C TRP A 43 -2.015 -2.178 -2.530 1.00 0.00 C ATOM 688 O TRP A 43 -2.798 -2.957 -1.987 1.00 0.00 O ATOM 689 CB TRP A 43 -1.879 0.021 -1.316 1.00 0.00 C ATOM 690 CG TRP A 43 -2.557 0.695 -2.472 1.00 0.00 C ATOM 691 CD1 TRP A 43 -2.161 1.839 -3.098 1.00 0.00 C ATOM 692 CD2 TRP A 43 -3.761 0.273 -3.128 1.00 0.00 C ATOM 693 NE1 TRP A 43 -3.036 2.152 -4.110 1.00 0.00 N ATOM 694 CE2 TRP A 43 -4.028 1.206 -4.147 1.00 0.00 C ATOM 695 CE3 TRP A 43 -4.636 -0.804 -2.955 1.00 0.00 C ATOM 696 CZ2 TRP A 43 -5.131 1.097 -4.990 1.00 0.00 C ATOM 697 CZ3 TRP A 43 -5.732 -0.911 -3.792 1.00 0.00 C ATOM 698 CH2 TRP A 43 -5.970 0.034 -4.799 1.00 0.00 C ATOM 0 H TRP A 43 0.145 -0.043 -2.830 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.872 -1.789 -0.769 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.627 -0.216 -0.559 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.177 0.721 -0.863 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.286 2.416 -2.836 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.960 2.957 -4.732 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.459 -1.538 -2.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.317 1.825 -5.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -6.416 -1.737 -3.667 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.834 -0.079 -5.437 1.00 0.00 H new ATOM 709 N THR A 44 -1.894 -2.091 -3.858 1.00 0.00 N ATOM 710 CA THR A 44 -2.707 -2.936 -4.735 1.00 0.00 C ATOM 711 C THR A 44 -2.124 -4.340 -4.832 1.00 0.00 C ATOM 712 O THR A 44 -2.858 -5.326 -4.886 1.00 0.00 O ATOM 713 CB THR A 44 -2.826 -2.320 -6.132 1.00 0.00 C ATOM 714 OG1 THR A 44 -2.975 -0.914 -6.049 1.00 0.00 O ATOM 715 CG2 THR A 44 -4.000 -2.857 -6.921 1.00 0.00 C ATOM 0 H THR A 44 -1.256 -1.459 -4.340 1.00 0.00 H new ATOM 0 HA THR A 44 -3.703 -3.003 -4.298 1.00 0.00 H new ATOM 0 HB THR A 44 -1.904 -2.590 -6.647 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.097 -0.486 -6.134 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.028 -2.381 -7.901 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.893 -3.935 -7.044 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.926 -2.643 -6.387 1.00 0.00 H new ATOM 723 N LEU A 45 -0.801 -4.424 -4.839 1.00 0.00 N ATOM 724 CA LEU A 45 -0.116 -5.703 -4.914 1.00 0.00 C ATOM 725 C LEU A 45 -0.341 -6.484 -3.628 1.00 0.00 C ATOM 726 O LEU A 45 -0.422 -7.710 -3.640 1.00 0.00 O ATOM 727 CB LEU A 45 1.383 -5.494 -5.155 1.00 0.00 C ATOM 728 CG LEU A 45 1.875 -5.848 -6.563 1.00 0.00 C ATOM 729 CD1 LEU A 45 0.938 -5.289 -7.626 1.00 0.00 C ATOM 730 CD2 LEU A 45 3.293 -5.344 -6.780 1.00 0.00 C ATOM 0 H LEU A 45 -0.180 -3.616 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.522 -6.272 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.624 -4.450 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.938 -6.093 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 45 1.879 -6.934 -6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.310 -5.555 -8.615 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.059 -5.708 -7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.891 -4.204 -7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.622 -5.606 -7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.316 -4.261 -6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.958 -5.804 -6.049 1.00 0.00 H new ATOM 741 N LYS A 46 -0.459 -5.755 -2.522 1.00 0.00 N ATOM 742 CA LYS A 46 -0.693 -6.365 -1.221 1.00 0.00 C ATOM 743 C LYS A 46 -2.102 -6.948 -1.156 1.00 0.00 C ATOM 744 O LYS A 46 -2.282 -8.152 -0.985 1.00 0.00 O ATOM 745 CB LYS A 46 -0.502 -5.318 -0.116 1.00 0.00 C ATOM 746 CG LYS A 46 -1.078 -5.725 1.233 1.00 0.00 C ATOM 747 CD LYS A 46 -1.095 -4.557 2.209 1.00 0.00 C ATOM 748 CE LYS A 46 -2.158 -3.536 1.836 1.00 0.00 C ATOM 749 NZ LYS A 46 -1.681 -2.139 2.036 1.00 0.00 N ATOM 0 H LYS A 46 -0.396 -4.737 -2.503 1.00 0.00 H new ATOM 0 HA LYS A 46 0.024 -7.173 -1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.563 -5.119 0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.968 -4.384 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.092 -6.102 1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.488 -6.541 1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.282 -4.927 3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.116 -4.077 2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.446 -3.676 0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.051 -3.705 2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.211 -1.498 1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.831 -1.859 3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.667 -2.083 1.811 1.00 0.00 H new ATOM 763 N ASP A 47 -3.099 -6.083 -1.300 1.00 0.00 N ATOM 764 CA ASP A 47 -4.491 -6.518 -1.266 1.00 0.00 C ATOM 765 C ASP A 47 -4.736 -7.575 -2.337 1.00 0.00 C ATOM 766 O ASP A 47 -5.611 -8.432 -2.196 1.00 0.00 O ATOM 767 CB ASP A 47 -5.428 -5.326 -1.477 1.00 0.00 C ATOM 768 CG ASP A 47 -6.139 -4.919 -0.201 1.00 0.00 C ATOM 769 OD1 ASP A 47 -5.505 -4.965 0.874 1.00 0.00 O ATOM 770 OD2 ASP A 47 -7.332 -4.553 -0.277 1.00 0.00 O ATOM 0 H ASP A 47 -2.971 -5.081 -1.441 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.697 -6.952 -0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.856 -4.480 -1.857 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.167 -5.578 -2.237 1.00 0.00 H new ATOM 775 N GLU A 48 -3.949 -7.509 -3.405 1.00 0.00 N ATOM 776 CA GLU A 48 -4.065 -8.456 -4.503 1.00 0.00 C ATOM 777 C GLU A 48 -3.367 -9.769 -4.160 1.00 0.00 C ATOM 778 O GLU A 48 -3.969 -10.844 -4.246 1.00 0.00 O ATOM 779 CB GLU A 48 -3.471 -7.862 -5.781 1.00 0.00 C ATOM 780 CG GLU A 48 -3.636 -8.751 -7.003 1.00 0.00 C ATOM 781 CD GLU A 48 -2.616 -8.455 -8.082 1.00 0.00 C ATOM 782 OE1 GLU A 48 -1.455 -8.892 -7.938 1.00 0.00 O ATOM 783 OE2 GLU A 48 -2.977 -7.784 -9.073 1.00 0.00 O ATOM 0 H GLU A 48 -3.221 -6.806 -3.532 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.123 -8.661 -4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.943 -6.899 -5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.410 -7.670 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.548 -9.795 -6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.638 -8.620 -7.410 1.00 0.00 H new ATOM 790 N ILE A 49 -2.095 -9.686 -3.770 1.00 0.00 N ATOM 791 CA ILE A 49 -1.343 -10.885 -3.422 1.00 0.00 C ATOM 792 C ILE A 49 -2.020 -11.645 -2.290 1.00 0.00 C ATOM 793 O ILE A 49 -1.840 -12.851 -2.157 1.00 0.00 O ATOM 794 CB ILE A 49 0.126 -10.596 -3.043 1.00 0.00 C ATOM 795 CG1 ILE A 49 0.838 -11.912 -2.733 1.00 0.00 C ATOM 796 CG2 ILE A 49 0.229 -9.645 -1.863 1.00 0.00 C ATOM 797 CD1 ILE A 49 0.758 -12.918 -3.859 1.00 0.00 C ATOM 0 H ILE A 49 -1.573 -8.814 -3.689 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.332 -11.498 -4.323 1.00 0.00 H new ATOM 0 HB ILE A 49 0.608 -10.109 -3.891 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.886 -11.707 -2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.403 -12.349 -1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.279 -9.468 -1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.251 -8.699 -2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.267 -10.084 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.284 -13.828 -3.572 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.287 -13.152 -4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.219 -12.500 -4.754 1.00 0.00 H new ATOM 809 N LEU A 50 -2.807 -10.947 -1.485 1.00 0.00 N ATOM 810 CA LEU A 50 -3.516 -11.591 -0.392 1.00 0.00 C ATOM 811 C LEU A 50 -4.771 -12.263 -0.928 1.00 0.00 C ATOM 812 O LEU A 50 -5.178 -13.324 -0.453 1.00 0.00 O ATOM 813 CB LEU A 50 -3.876 -10.577 0.697 1.00 0.00 C ATOM 814 CG LEU A 50 -3.897 -11.142 2.115 1.00 0.00 C ATOM 815 CD1 LEU A 50 -2.528 -10.999 2.757 1.00 0.00 C ATOM 816 CD2 LEU A 50 -4.958 -10.442 2.953 1.00 0.00 C ATOM 0 H LEU A 50 -2.969 -9.943 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.867 -12.344 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.161 -9.755 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.857 -10.157 0.473 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.147 -12.202 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.556 -11.406 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.791 -11.544 2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.253 -9.945 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.959 -10.858 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.739 -9.375 3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.937 -10.591 2.499 1.00 0.00 H new ATOM 828 N THR A 51 -5.376 -11.634 -1.932 1.00 0.00 N ATOM 829 CA THR A 51 -6.582 -12.161 -2.557 1.00 0.00 C ATOM 830 C THR A 51 -6.311 -13.483 -3.288 1.00 0.00 C ATOM 831 O THR A 51 -7.245 -14.208 -3.625 1.00 0.00 O ATOM 832 CB THR A 51 -7.157 -11.128 -3.534 1.00 0.00 C ATOM 833 OG1 THR A 51 -7.770 -10.062 -2.830 1.00 0.00 O ATOM 834 CG2 THR A 51 -8.188 -11.699 -4.488 1.00 0.00 C ATOM 0 H THR A 51 -5.047 -10.754 -2.331 1.00 0.00 H new ATOM 0 HA THR A 51 -7.307 -12.361 -1.768 1.00 0.00 H new ATOM 0 HB THR A 51 -6.304 -10.783 -4.118 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.086 -9.417 -2.553 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.549 -10.910 -5.148 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.733 -12.491 -5.084 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.023 -12.107 -3.919 1.00 0.00 H new ATOM 842 N PHE A 52 -5.037 -13.795 -3.537 1.00 0.00 N ATOM 843 CA PHE A 52 -4.682 -15.030 -4.235 1.00 0.00 C ATOM 844 C PHE A 52 -4.495 -16.191 -3.250 1.00 0.00 C ATOM 845 O PHE A 52 -3.648 -17.061 -3.434 1.00 0.00 O ATOM 846 CB PHE A 52 -3.437 -14.792 -5.118 1.00 0.00 C ATOM 847 CG PHE A 52 -2.158 -15.453 -4.668 1.00 0.00 C ATOM 848 CD1 PHE A 52 -1.685 -15.293 -3.375 1.00 0.00 C ATOM 849 CD2 PHE A 52 -1.418 -16.220 -5.555 1.00 0.00 C ATOM 850 CE1 PHE A 52 -0.500 -15.884 -2.976 1.00 0.00 C ATOM 851 CE2 PHE A 52 -0.236 -16.816 -5.161 1.00 0.00 C ATOM 852 CZ PHE A 52 0.224 -16.647 -3.871 1.00 0.00 C ATOM 0 H PHE A 52 -4.242 -13.215 -3.268 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.503 -15.320 -4.891 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.663 -15.137 -6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.263 -13.718 -5.180 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.249 -14.700 -2.670 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.770 -16.353 -6.567 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.141 -15.749 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.328 -17.414 -5.862 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.149 -17.111 -3.562 1.00 0.00 H new ATOM 862 N THR A 53 -5.327 -16.200 -2.214 1.00 0.00 N ATOM 863 CA THR A 53 -5.292 -17.245 -1.194 1.00 0.00 C ATOM 864 C THR A 53 -6.400 -17.004 -0.172 1.00 0.00 C ATOM 865 O THR A 53 -7.381 -17.745 -0.119 1.00 0.00 O ATOM 866 CB THR A 53 -3.918 -17.292 -0.501 1.00 0.00 C ATOM 867 OG1 THR A 53 -2.967 -17.948 -1.319 1.00 0.00 O ATOM 868 CG2 THR A 53 -3.934 -18.014 0.833 1.00 0.00 C ATOM 0 H THR A 53 -6.041 -15.489 -2.057 1.00 0.00 H new ATOM 0 HA THR A 53 -5.455 -18.209 -1.676 1.00 0.00 H new ATOM 0 HB THR A 53 -3.653 -16.249 -0.330 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.344 -18.086 -2.213 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.932 -18.007 1.262 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.623 -17.510 1.511 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.259 -19.044 0.685 1.00 0.00 H new ATOM 876 N VAL A 54 -6.238 -15.954 0.628 1.00 0.00 N ATOM 877 CA VAL A 54 -7.225 -15.600 1.640 1.00 0.00 C ATOM 878 C VAL A 54 -7.235 -16.618 2.778 1.00 0.00 C ATOM 879 O VAL A 54 -6.943 -17.794 2.580 1.00 0.00 O ATOM 880 CB VAL A 54 -8.636 -15.459 1.019 1.00 0.00 C ATOM 881 CG1 VAL A 54 -9.551 -16.610 1.423 1.00 0.00 C ATOM 882 CG2 VAL A 54 -9.252 -14.125 1.410 1.00 0.00 C ATOM 0 H VAL A 54 -5.430 -15.333 0.594 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.941 -14.633 2.054 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.526 -15.496 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.531 -16.473 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.121 -17.553 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.656 -16.628 2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.244 -14.038 0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.333 -14.066 2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.621 -13.313 1.049 1.00 0.00 H new ATOM 892 N THR A 55 -7.594 -16.153 3.974 1.00 0.00 N ATOM 893 CA THR A 55 -7.654 -17.020 5.145 1.00 0.00 C ATOM 894 C THR A 55 -8.933 -16.781 5.930 1.00 0.00 C ATOM 895 O THR A 55 -8.903 -16.482 7.125 1.00 0.00 O ATOM 896 CB THR A 55 -6.436 -16.781 6.043 1.00 0.00 C ATOM 897 OG1 THR A 55 -5.262 -16.643 5.265 1.00 0.00 O ATOM 898 CG2 THR A 55 -6.202 -17.896 7.038 1.00 0.00 C ATOM 0 H THR A 55 -7.847 -15.182 4.155 1.00 0.00 H new ATOM 0 HA THR A 55 -7.648 -18.055 4.803 1.00 0.00 H new ATOM 0 HB THR A 55 -6.654 -15.866 6.593 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.495 -16.489 5.855 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.325 -17.666 7.643 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.074 -17.995 7.685 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.038 -18.832 6.504 1.00 0.00 H new ATOM 906 N GLU A 56 -10.073 -16.913 5.251 1.00 0.00 N ATOM 907 CA GLU A 56 -11.374 -16.713 5.884 1.00 0.00 C ATOM 908 C GLU A 56 -12.033 -18.048 6.211 1.00 0.00 C ATOM 909 O GLU A 56 -11.872 -18.996 5.409 1.00 0.00 O ATOM 910 CB GLU A 56 -12.284 -15.889 4.971 1.00 0.00 C ATOM 911 CG GLU A 56 -12.615 -16.583 3.660 1.00 0.00 C ATOM 912 CD GLU A 56 -13.443 -15.708 2.734 1.00 0.00 C ATOM 913 OE1 GLU A 56 -12.851 -14.816 2.085 1.00 0.00 O ATOM 914 OE2 GLU A 56 -14.672 -15.916 2.654 1.00 0.00 O ATOM 915 OXT GLU A 56 -12.695 -18.136 7.263 1.00 0.00 O ATOM 0 H GLU A 56 -10.120 -17.158 4.262 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.218 -16.171 6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.211 -15.667 5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.803 -14.935 4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.690 -16.865 3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.159 -17.505 3.867 1.00 0.00 H new TER 922 GLU A 56