USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 420 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 MET CE :methyl 176:sc= -0.162 (180deg=-0.204) USER MOD Single : A 1 MET N :NH3+ -175:sc= 1.96 (180deg=1.91) USER MOD Single : A 3 THR OG1 : rot 30:sc= 1.06 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.508! C(o=-0.51!,f=-3.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -21:sc= 0.699 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.67) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.0023 X(o=-0.0023,f=0.28) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -159:sc= 1.23 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -114:sc= 0.368 (180deg=-0.0318) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.293 1.032 1.474 1.00 0.00 N ATOM 2 CA MET A 1 -15.983 0.274 0.256 1.00 0.00 C ATOM 3 C MET A 1 -15.386 -1.078 0.610 1.00 0.00 C ATOM 4 O MET A 1 -16.010 -2.110 0.349 1.00 0.00 O ATOM 5 CB MET A 1 -15.095 1.073 -0.706 1.00 0.00 C ATOM 6 CG MET A 1 -15.244 0.553 -2.137 1.00 0.00 C ATOM 7 SD MET A 1 -16.949 0.579 -2.762 1.00 0.00 S ATOM 8 CE MET A 1 -17.278 2.358 -2.872 1.00 0.00 C ATOM 0 H1 MET A 1 -16.777 1.916 1.219 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.910 0.464 2.089 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.411 1.254 1.979 1.00 0.00 H new ATOM 0 HA MET A 1 -16.916 0.093 -0.278 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.366 2.128 -0.667 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.053 0.999 -0.394 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.617 1.153 -2.797 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.868 -0.469 -2.182 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.264 2.519 -3.309 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.247 2.796 -1.874 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.522 2.830 -3.499 1.00 0.00 H new ATOM 18 N GLY A 2 -14.185 -1.106 1.196 1.00 0.00 N ATOM 19 CA GLY A 2 -13.551 -2.347 1.571 1.00 0.00 C ATOM 20 C GLY A 2 -12.326 -2.066 2.417 1.00 0.00 C ATOM 21 O GLY A 2 -12.029 -0.899 2.706 1.00 0.00 O ATOM 0 H GLY A 2 -13.640 -0.272 1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.252 -2.970 2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.267 -2.904 0.678 1.00 0.00 H new ATOM 25 N THR A 3 -11.653 -3.134 2.834 1.00 0.00 N ATOM 26 CA THR A 3 -10.436 -3.076 3.617 1.00 0.00 C ATOM 27 C THR A 3 -9.306 -3.413 2.646 1.00 0.00 C ATOM 28 O THR A 3 -9.471 -4.295 1.799 1.00 0.00 O ATOM 29 CB THR A 3 -10.526 -3.953 4.876 1.00 0.00 C ATOM 30 OG1 THR A 3 -9.382 -3.755 5.684 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.656 -5.455 4.593 1.00 0.00 C ATOM 0 H THR A 3 -11.952 -4.087 2.628 1.00 0.00 H new ATOM 0 HA THR A 3 -10.247 -2.090 4.041 1.00 0.00 H new ATOM 0 HB THR A 3 -11.440 -3.639 5.381 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.053 -2.840 5.566 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.713 -5.999 5.536 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.560 -5.639 4.012 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.787 -5.796 4.030 1.00 0.00 H new ATOM 39 N TYR A 4 -8.193 -2.685 2.739 1.00 0.00 N ATOM 40 CA TYR A 4 -7.043 -2.854 1.871 1.00 0.00 C ATOM 41 C TYR A 4 -5.764 -2.784 2.712 1.00 0.00 C ATOM 42 O TYR A 4 -5.594 -1.863 3.524 1.00 0.00 O ATOM 43 CB TYR A 4 -7.108 -1.806 0.736 1.00 0.00 C ATOM 44 CG TYR A 4 -8.448 -1.595 0.004 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.631 -2.043 -1.321 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.493 -0.860 0.607 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.836 -1.790 -2.014 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.673 -0.557 -0.096 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.864 -1.044 -1.400 1.00 0.00 C ATOM 50 OH TYR A 4 -12.045 -0.780 -2.027 1.00 0.00 O ATOM 0 H TYR A 4 -8.070 -1.949 3.435 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.043 -3.832 1.390 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.804 -0.846 1.154 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.362 -2.079 -0.010 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.838 -2.587 -1.813 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.384 -0.524 1.628 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.970 -2.169 -3.016 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.435 0.052 0.368 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.620 -0.253 -1.434 1.00 0.00 H new ATOM 60 N LYS A 5 -4.841 -3.729 2.496 1.00 0.00 N ATOM 61 CA LYS A 5 -3.577 -3.839 3.231 1.00 0.00 C ATOM 62 C LYS A 5 -2.409 -3.292 2.404 1.00 0.00 C ATOM 63 O LYS A 5 -2.302 -3.583 1.209 1.00 0.00 O ATOM 64 CB LYS A 5 -3.428 -5.315 3.626 1.00 0.00 C ATOM 65 CG LYS A 5 -2.303 -5.618 4.623 1.00 0.00 C ATOM 66 CD LYS A 5 -2.180 -7.138 4.758 1.00 0.00 C ATOM 67 CE LYS A 5 -1.021 -7.544 5.674 1.00 0.00 C ATOM 68 NZ LYS A 5 -0.753 -8.990 5.533 1.00 0.00 N ATOM 0 H LYS A 5 -4.956 -4.455 1.789 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.574 -3.229 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.371 -5.656 4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.257 -5.900 2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.362 -5.190 4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.521 -5.167 5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.112 -7.543 5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.033 -7.578 3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.128 -6.973 5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.265 -7.310 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.034 -9.260 6.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.603 -9.528 5.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.501 -9.202 4.546 1.00 0.00 H new ATOM 82 N LEU A 6 -1.536 -2.476 3.002 1.00 0.00 N ATOM 83 CA LEU A 6 -0.368 -1.839 2.376 1.00 0.00 C ATOM 84 C LEU A 6 1.008 -2.134 3.008 1.00 0.00 C ATOM 85 O LEU A 6 1.269 -1.672 4.112 1.00 0.00 O ATOM 86 CB LEU A 6 -0.639 -0.317 2.307 1.00 0.00 C ATOM 87 CG LEU A 6 -0.546 0.230 0.878 1.00 0.00 C ATOM 88 CD1 LEU A 6 -1.262 1.580 0.765 1.00 0.00 C ATOM 89 CD2 LEU A 6 0.906 0.381 0.432 1.00 0.00 C ATOM 0 H LEU A 6 -1.628 -2.227 3.987 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.271 -2.288 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.631 -0.109 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.078 0.206 2.940 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.036 -0.491 0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.183 1.949 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.313 1.457 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.800 2.295 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.935 0.771 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.422 1.071 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.399 -0.591 0.463 1.00 0.00 H new ATOM 101 N ILE A 7 1.912 -2.841 2.327 1.00 0.00 N ATOM 102 CA ILE A 7 3.290 -3.173 2.741 1.00 0.00 C ATOM 103 C ILE A 7 4.268 -2.618 1.700 1.00 0.00 C ATOM 104 O ILE A 7 4.045 -2.745 0.491 1.00 0.00 O ATOM 105 CB ILE A 7 3.549 -4.690 3.001 1.00 0.00 C ATOM 106 CG1 ILE A 7 5.062 -5.039 3.048 1.00 0.00 C ATOM 107 CG2 ILE A 7 2.913 -5.601 1.950 1.00 0.00 C ATOM 108 CD1 ILE A 7 5.408 -6.387 3.683 1.00 0.00 C ATOM 0 H ILE A 7 1.693 -3.226 1.408 1.00 0.00 H new ATOM 0 HA ILE A 7 3.448 -2.702 3.711 1.00 0.00 H new ATOM 0 HB ILE A 7 3.087 -4.869 3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.452 -5.026 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.581 -4.254 3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.131 -6.642 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.834 -5.449 1.942 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.320 -5.362 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.488 -6.531 3.665 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.057 -6.404 4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.926 -7.188 3.122 1.00 0.00 H new ATOM 120 N LEU A 8 5.301 -1.926 2.186 1.00 0.00 N ATOM 121 CA LEU A 8 6.375 -1.325 1.409 1.00 0.00 C ATOM 122 C LEU A 8 7.691 -1.950 1.844 1.00 0.00 C ATOM 123 O LEU A 8 7.977 -1.934 3.048 1.00 0.00 O ATOM 124 CB LEU A 8 6.462 0.197 1.620 1.00 0.00 C ATOM 125 CG LEU A 8 5.368 1.072 0.982 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.974 0.616 -0.428 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.127 1.157 1.869 1.00 0.00 C ATOM 0 H LEU A 8 5.412 -1.764 3.187 1.00 0.00 H new ATOM 0 HA LEU A 8 6.172 -1.507 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.460 0.387 2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.426 0.534 1.238 1.00 0.00 H new ATOM 0 HG LEU A 8 5.808 2.065 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.199 1.275 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.847 0.654 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.596 -0.405 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.377 1.783 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.721 0.157 2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.397 1.592 2.832 1.00 0.00 H new ATOM 139 N ASN A 9 8.451 -2.538 0.917 1.00 0.00 N ATOM 140 CA ASN A 9 9.743 -3.119 1.239 1.00 0.00 C ATOM 141 C ASN A 9 10.767 -2.058 0.876 1.00 0.00 C ATOM 142 O ASN A 9 10.546 -1.285 -0.053 1.00 0.00 O ATOM 143 CB ASN A 9 10.001 -4.401 0.444 1.00 0.00 C ATOM 144 CG ASN A 9 9.132 -5.543 0.936 1.00 0.00 C ATOM 145 OD1 ASN A 9 9.276 -5.972 2.076 1.00 0.00 O ATOM 146 ND2 ASN A 9 8.224 -6.044 0.119 1.00 0.00 N ATOM 0 H ASN A 9 8.187 -2.621 -0.065 1.00 0.00 H new ATOM 0 HA ASN A 9 9.793 -3.399 2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.804 -4.221 -0.613 1.00 0.00 H new ATOM 0 HB3 ASN A 9 11.052 -4.679 0.530 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.622 -6.806 0.431 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.125 -5.669 -0.824 1.00 0.00 H new ATOM 153 N GLY A 10 11.847 -1.990 1.637 1.00 0.00 N ATOM 154 CA GLY A 10 12.959 -1.077 1.468 1.00 0.00 C ATOM 155 C GLY A 10 14.239 -1.880 1.655 1.00 0.00 C ATOM 156 O GLY A 10 14.201 -3.019 2.128 1.00 0.00 O ATOM 0 H GLY A 10 11.976 -2.610 2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.934 -0.620 0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.904 -0.267 2.195 1.00 0.00 H new ATOM 160 N LYS A 11 15.387 -1.263 1.368 1.00 0.00 N ATOM 161 CA LYS A 11 16.684 -1.923 1.497 1.00 0.00 C ATOM 162 C LYS A 11 16.906 -2.424 2.924 1.00 0.00 C ATOM 163 O LYS A 11 17.333 -3.561 3.126 1.00 0.00 O ATOM 164 CB LYS A 11 17.742 -0.884 1.080 1.00 0.00 C ATOM 165 CG LYS A 11 19.192 -1.297 1.354 1.00 0.00 C ATOM 166 CD LYS A 11 20.136 -0.208 0.835 1.00 0.00 C ATOM 167 CE LYS A 11 21.590 -0.672 0.952 1.00 0.00 C ATOM 168 NZ LYS A 11 22.412 -0.154 -0.159 1.00 0.00 N ATOM 0 H LYS A 11 15.442 -0.298 1.042 1.00 0.00 H new ATOM 0 HA LYS A 11 16.746 -2.806 0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.632 -0.682 0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.540 0.050 1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.344 -1.446 2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.410 -2.247 0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.902 0.022 -0.205 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.992 0.710 1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 11 22.006 -0.335 1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.627 -1.761 0.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 23.391 -0.486 -0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 22.029 -0.496 -1.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 22.396 0.886 -0.147 1.00 0.00 H new ATOM 182 N THR A 12 16.704 -1.557 3.912 1.00 0.00 N ATOM 183 CA THR A 12 16.844 -1.843 5.333 1.00 0.00 C ATOM 184 C THR A 12 15.562 -1.525 6.119 1.00 0.00 C ATOM 185 O THR A 12 15.594 -1.613 7.350 1.00 0.00 O ATOM 186 CB THR A 12 18.143 -1.179 5.841 1.00 0.00 C ATOM 187 OG1 THR A 12 18.352 -1.349 7.230 1.00 0.00 O ATOM 188 CG2 THR A 12 18.208 0.315 5.529 1.00 0.00 C ATOM 0 H THR A 12 16.426 -0.592 3.734 1.00 0.00 H new ATOM 0 HA THR A 12 16.959 -2.913 5.507 1.00 0.00 H new ATOM 0 HB THR A 12 18.932 -1.698 5.297 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.498 -1.549 7.667 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.143 0.726 5.910 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.159 0.464 4.450 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.368 0.823 6.004 1.00 0.00 H new ATOM 196 N LEU A 13 14.456 -1.133 5.473 1.00 0.00 N ATOM 197 CA LEU A 13 13.210 -0.769 6.151 1.00 0.00 C ATOM 198 C LEU A 13 12.022 -1.559 5.611 1.00 0.00 C ATOM 199 O LEU A 13 11.971 -1.856 4.424 1.00 0.00 O ATOM 200 CB LEU A 13 12.990 0.742 5.921 1.00 0.00 C ATOM 201 CG LEU A 13 12.033 1.396 6.935 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.737 1.623 8.281 1.00 0.00 C ATOM 203 CD2 LEU A 13 11.540 2.749 6.413 1.00 0.00 C ATOM 0 H LEU A 13 14.403 -1.060 4.457 1.00 0.00 H new ATOM 0 HA LEU A 13 13.287 -1.002 7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.953 1.250 5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.597 0.893 4.916 1.00 0.00 H new ATOM 0 HG LEU A 13 11.189 0.720 7.072 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.042 2.086 8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.073 0.667 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.596 2.278 8.136 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.865 3.196 7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.392 3.410 6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.012 2.605 5.471 1.00 0.00 H new ATOM 215 N LYS A 14 11.081 -1.928 6.481 1.00 0.00 N ATOM 216 CA LYS A 14 9.860 -2.663 6.152 1.00 0.00 C ATOM 217 C LYS A 14 8.717 -2.133 7.011 1.00 0.00 C ATOM 218 O LYS A 14 8.936 -1.744 8.162 1.00 0.00 O ATOM 219 CB LYS A 14 10.051 -4.176 6.360 1.00 0.00 C ATOM 220 CG LYS A 14 10.818 -4.795 5.186 1.00 0.00 C ATOM 221 CD LYS A 14 10.976 -6.308 5.331 1.00 0.00 C ATOM 222 CE LYS A 14 11.611 -6.833 4.044 1.00 0.00 C ATOM 223 NZ LYS A 14 12.153 -8.192 4.192 1.00 0.00 N ATOM 0 H LYS A 14 11.152 -1.714 7.476 1.00 0.00 H new ATOM 0 HA LYS A 14 9.621 -2.511 5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.593 -4.354 7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.079 -4.659 6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.295 -4.574 4.256 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.803 -4.334 5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.601 -6.547 6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.008 -6.779 5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.866 -6.828 3.248 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.411 -6.159 3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.571 -8.499 3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.884 -8.196 4.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.388 -8.844 4.458 1.00 0.00 H new ATOM 237 N GLY A 15 7.496 -2.178 6.488 1.00 0.00 N ATOM 238 CA GLY A 15 6.291 -1.726 7.162 1.00 0.00 C ATOM 239 C GLY A 15 5.101 -2.381 6.483 1.00 0.00 C ATOM 240 O GLY A 15 5.174 -2.640 5.285 1.00 0.00 O ATOM 0 H GLY A 15 7.316 -2.543 5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.322 -1.993 8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.210 -0.640 7.110 1.00 0.00 H new ATOM 244 N GLU A 16 4.032 -2.681 7.219 1.00 0.00 N ATOM 245 CA GLU A 16 2.827 -3.323 6.709 1.00 0.00 C ATOM 246 C GLU A 16 1.616 -2.805 7.485 1.00 0.00 C ATOM 247 O GLU A 16 1.516 -3.031 8.693 1.00 0.00 O ATOM 248 CB GLU A 16 2.984 -4.857 6.763 1.00 0.00 C ATOM 249 CG GLU A 16 3.350 -5.505 8.111 1.00 0.00 C ATOM 250 CD GLU A 16 3.705 -6.984 7.923 1.00 0.00 C ATOM 251 OE1 GLU A 16 4.855 -7.388 8.212 1.00 0.00 O ATOM 252 OE2 GLU A 16 2.833 -7.759 7.450 1.00 0.00 O ATOM 0 H GLU A 16 3.982 -2.477 8.217 1.00 0.00 H new ATOM 0 HA GLU A 16 2.667 -3.071 5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.047 -5.299 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.749 -5.139 6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.193 -4.977 8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.514 -5.412 8.804 1.00 0.00 H new ATOM 259 N THR A 17 0.695 -2.115 6.808 1.00 0.00 N ATOM 260 CA THR A 17 -0.497 -1.545 7.450 1.00 0.00 C ATOM 261 C THR A 17 -1.774 -2.019 6.757 1.00 0.00 C ATOM 262 O THR A 17 -1.720 -2.750 5.766 1.00 0.00 O ATOM 263 CB THR A 17 -0.346 -0.005 7.537 1.00 0.00 C ATOM 264 OG1 THR A 17 -1.234 0.559 8.489 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.577 0.703 6.198 1.00 0.00 C ATOM 0 H THR A 17 0.751 -1.935 5.806 1.00 0.00 H new ATOM 0 HA THR A 17 -0.587 -1.908 8.474 1.00 0.00 H new ATOM 0 HB THR A 17 0.688 0.154 7.843 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.109 1.531 8.517 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.456 1.778 6.329 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.147 0.343 5.467 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.586 0.492 5.844 1.00 0.00 H new ATOM 273 N THR A 18 -2.935 -1.676 7.311 1.00 0.00 N ATOM 274 CA THR A 18 -4.240 -2.012 6.762 1.00 0.00 C ATOM 275 C THR A 18 -5.186 -0.868 7.110 1.00 0.00 C ATOM 276 O THR A 18 -4.935 -0.105 8.050 1.00 0.00 O ATOM 277 CB THR A 18 -4.734 -3.405 7.216 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.700 -3.857 6.289 1.00 0.00 O ATOM 279 CG2 THR A 18 -5.345 -3.429 8.623 1.00 0.00 C ATOM 0 H THR A 18 -2.992 -1.142 8.178 1.00 0.00 H new ATOM 0 HA THR A 18 -4.188 -2.109 5.678 1.00 0.00 H new ATOM 0 HB THR A 18 -3.859 -4.054 7.253 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.024 -4.741 6.560 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.666 -4.443 8.863 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.600 -3.102 9.349 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.204 -2.759 8.658 1.00 0.00 H new ATOM 287 N THR A 19 -6.277 -0.738 6.366 1.00 0.00 N ATOM 288 CA THR A 19 -7.265 0.301 6.574 1.00 0.00 C ATOM 289 C THR A 19 -8.568 -0.140 5.916 1.00 0.00 C ATOM 290 O THR A 19 -8.598 -1.112 5.157 1.00 0.00 O ATOM 291 CB THR A 19 -6.722 1.612 5.953 1.00 0.00 C ATOM 292 OG1 THR A 19 -7.499 2.728 6.331 1.00 0.00 O ATOM 293 CG2 THR A 19 -6.692 1.617 4.424 1.00 0.00 C ATOM 0 H THR A 19 -6.499 -1.363 5.591 1.00 0.00 H new ATOM 0 HA THR A 19 -7.458 0.475 7.633 1.00 0.00 H new ATOM 0 HB THR A 19 -5.703 1.673 6.336 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.128 3.538 5.923 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.299 2.570 4.071 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.053 0.808 4.070 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.702 1.476 4.040 1.00 0.00 H new ATOM 301 N GLU A 20 -9.658 0.518 6.279 1.00 0.00 N ATOM 302 CA GLU A 20 -10.999 0.349 5.757 1.00 0.00 C ATOM 303 C GLU A 20 -11.398 1.786 5.420 1.00 0.00 C ATOM 304 O GLU A 20 -11.033 2.697 6.169 1.00 0.00 O ATOM 305 CB GLU A 20 -11.943 -0.347 6.749 1.00 0.00 C ATOM 306 CG GLU A 20 -13.251 -0.700 6.020 1.00 0.00 C ATOM 307 CD GLU A 20 -14.342 -1.299 6.910 1.00 0.00 C ATOM 308 OE1 GLU A 20 -14.466 -0.945 8.097 1.00 0.00 O ATOM 309 OE2 GLU A 20 -15.193 -2.043 6.360 1.00 0.00 O ATOM 0 H GLU A 20 -9.622 1.238 7.001 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.054 -0.314 4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.476 -1.249 7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.148 0.306 7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.642 0.201 5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.026 -1.406 5.221 1.00 0.00 H new ATOM 316 N ALA A 21 -12.043 2.041 4.280 1.00 0.00 N ATOM 317 CA ALA A 21 -12.448 3.398 3.928 1.00 0.00 C ATOM 318 C ALA A 21 -13.831 3.411 3.309 1.00 0.00 C ATOM 319 O ALA A 21 -14.231 2.442 2.654 1.00 0.00 O ATOM 320 CB ALA A 21 -11.443 4.062 2.977 1.00 0.00 C ATOM 0 H ALA A 21 -12.293 1.331 3.592 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.471 3.973 4.854 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.780 5.071 2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.465 4.110 3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.369 3.478 2.060 1.00 0.00 H new ATOM 326 N VAL A 22 -14.501 4.551 3.477 1.00 0.00 N ATOM 327 CA VAL A 22 -15.839 4.827 2.980 1.00 0.00 C ATOM 328 C VAL A 22 -15.921 4.558 1.476 1.00 0.00 C ATOM 329 O VAL A 22 -16.795 3.814 1.032 1.00 0.00 O ATOM 330 CB VAL A 22 -16.248 6.275 3.349 1.00 0.00 C ATOM 331 CG1 VAL A 22 -16.364 6.446 4.869 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.277 7.371 2.860 1.00 0.00 C ATOM 0 H VAL A 22 -14.103 5.340 3.987 1.00 0.00 H new ATOM 0 HA VAL A 22 -16.552 4.154 3.457 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.203 6.407 2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -16.652 7.472 5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -17.119 5.762 5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.403 6.226 5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.648 8.349 3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.292 7.204 3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.205 7.334 1.773 1.00 0.00 H new ATOM 342 N ASP A 23 -14.941 5.033 0.710 1.00 0.00 N ATOM 343 CA ASP A 23 -14.867 4.888 -0.736 1.00 0.00 C ATOM 344 C ASP A 23 -13.417 4.601 -1.113 1.00 0.00 C ATOM 345 O ASP A 23 -12.505 4.900 -0.332 1.00 0.00 O ATOM 346 CB ASP A 23 -15.343 6.184 -1.398 1.00 0.00 C ATOM 347 CG ASP A 23 -15.337 6.022 -2.912 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.419 6.566 -3.558 1.00 0.00 O ATOM 349 OD2 ASP A 23 -16.167 5.246 -3.425 1.00 0.00 O ATOM 0 H ASP A 23 -14.150 5.548 1.097 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.503 4.070 -1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.347 6.432 -1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.694 7.011 -1.109 1.00 0.00 H new ATOM 354 N ALA A 24 -13.191 4.016 -2.290 1.00 0.00 N ATOM 355 CA ALA A 24 -11.850 3.694 -2.748 1.00 0.00 C ATOM 356 C ALA A 24 -11.030 4.958 -3.040 1.00 0.00 C ATOM 357 O ALA A 24 -9.808 4.873 -3.030 1.00 0.00 O ATOM 358 CB ALA A 24 -11.884 2.690 -3.900 1.00 0.00 C ATOM 0 H ALA A 24 -13.929 3.756 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.320 3.193 -1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.866 2.469 -4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.367 1.771 -3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.443 3.113 -4.735 1.00 0.00 H new ATOM 364 N ALA A 25 -11.639 6.133 -3.247 1.00 0.00 N ATOM 365 CA ALA A 25 -10.900 7.370 -3.493 1.00 0.00 C ATOM 366 C ALA A 25 -9.975 7.652 -2.296 1.00 0.00 C ATOM 367 O ALA A 25 -8.828 8.060 -2.478 1.00 0.00 O ATOM 368 CB ALA A 25 -11.877 8.524 -3.730 1.00 0.00 C ATOM 0 H ALA A 25 -12.652 6.249 -3.248 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.286 7.267 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.318 9.442 -3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.501 8.301 -4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.509 8.652 -2.851 1.00 0.00 H new ATOM 374 N THR A 26 -10.449 7.406 -1.066 1.00 0.00 N ATOM 375 CA THR A 26 -9.647 7.604 0.142 1.00 0.00 C ATOM 376 C THR A 26 -8.427 6.670 0.069 1.00 0.00 C ATOM 377 O THR A 26 -7.328 7.048 0.489 1.00 0.00 O ATOM 378 CB THR A 26 -10.512 7.306 1.384 1.00 0.00 C ATOM 379 OG1 THR A 26 -11.527 8.274 1.575 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.722 7.273 2.699 1.00 0.00 C ATOM 0 H THR A 26 -11.394 7.066 -0.885 1.00 0.00 H new ATOM 0 HA THR A 26 -9.299 8.634 0.217 1.00 0.00 H new ATOM 0 HB THR A 26 -10.925 6.321 1.169 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.051 8.046 2.371 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.400 7.058 3.525 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.958 6.498 2.645 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.247 8.240 2.862 1.00 0.00 H new ATOM 388 N ALA A 27 -8.633 5.441 -0.422 1.00 0.00 N ATOM 389 CA ALA A 27 -7.590 4.446 -0.566 1.00 0.00 C ATOM 390 C ALA A 27 -6.603 4.881 -1.657 1.00 0.00 C ATOM 391 O ALA A 27 -5.400 4.717 -1.467 1.00 0.00 O ATOM 392 CB ALA A 27 -8.202 3.063 -0.819 1.00 0.00 C ATOM 0 H ALA A 27 -9.549 5.116 -0.732 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.022 4.364 0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.405 2.327 -0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.841 2.789 0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.796 3.089 -1.733 1.00 0.00 H new ATOM 398 N GLU A 28 -7.055 5.459 -2.776 1.00 0.00 N ATOM 399 CA GLU A 28 -6.172 5.919 -3.852 1.00 0.00 C ATOM 400 C GLU A 28 -5.264 7.030 -3.309 1.00 0.00 C ATOM 401 O GLU A 28 -4.057 7.052 -3.581 1.00 0.00 O ATOM 402 CB GLU A 28 -6.970 6.392 -5.087 1.00 0.00 C ATOM 403 CG GLU A 28 -5.995 6.732 -6.232 1.00 0.00 C ATOM 404 CD GLU A 28 -6.624 7.412 -7.445 1.00 0.00 C ATOM 405 OE1 GLU A 28 -6.648 6.816 -8.548 1.00 0.00 O ATOM 406 OE2 GLU A 28 -6.925 8.626 -7.358 1.00 0.00 O ATOM 0 H GLU A 28 -8.045 5.621 -2.960 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.558 5.084 -4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.663 5.613 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.568 7.267 -4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.211 7.380 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.513 5.812 -6.562 1.00 0.00 H new ATOM 413 N LYS A 29 -5.836 7.940 -2.517 1.00 0.00 N ATOM 414 CA LYS A 29 -5.091 9.041 -1.926 1.00 0.00 C ATOM 415 C LYS A 29 -4.049 8.513 -0.938 1.00 0.00 C ATOM 416 O LYS A 29 -2.870 8.850 -1.055 1.00 0.00 O ATOM 417 CB LYS A 29 -6.076 10.024 -1.280 1.00 0.00 C ATOM 418 CG LYS A 29 -5.325 11.210 -0.667 1.00 0.00 C ATOM 419 CD LYS A 29 -6.280 12.280 -0.139 1.00 0.00 C ATOM 420 CE LYS A 29 -5.409 13.369 0.485 1.00 0.00 C ATOM 421 NZ LYS A 29 -6.194 14.468 1.074 1.00 0.00 N ATOM 0 H LYS A 29 -6.826 7.930 -2.271 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.539 9.579 -2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.785 10.381 -2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.655 9.515 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.691 10.857 0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.667 11.649 -1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.891 12.686 -0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.964 11.860 0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.780 12.925 1.257 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.742 13.774 -0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.550 15.175 1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.776 14.914 0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.812 14.092 1.821 1.00 0.00 H new ATOM 435 N VAL A 30 -4.454 7.679 0.029 1.00 0.00 N ATOM 436 CA VAL A 30 -3.511 7.151 1.011 1.00 0.00 C ATOM 437 C VAL A 30 -2.429 6.314 0.322 1.00 0.00 C ATOM 438 O VAL A 30 -1.288 6.351 0.760 1.00 0.00 O ATOM 439 CB VAL A 30 -4.225 6.443 2.188 1.00 0.00 C ATOM 440 CG1 VAL A 30 -4.543 4.961 1.954 1.00 0.00 C ATOM 441 CG2 VAL A 30 -3.399 6.565 3.475 1.00 0.00 C ATOM 0 H VAL A 30 -5.416 7.362 0.148 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.991 7.985 1.481 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.180 6.961 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.042 4.553 2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.196 4.861 1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.617 4.414 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.918 6.061 4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.423 6.103 3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.268 7.618 3.725 1.00 0.00 H new ATOM 451 N PHE A 31 -2.742 5.602 -0.766 1.00 0.00 N ATOM 452 CA PHE A 31 -1.793 4.781 -1.511 1.00 0.00 C ATOM 453 C PHE A 31 -0.614 5.630 -1.972 1.00 0.00 C ATOM 454 O PHE A 31 0.528 5.169 -1.903 1.00 0.00 O ATOM 455 CB PHE A 31 -2.547 4.124 -2.686 1.00 0.00 C ATOM 456 CG PHE A 31 -1.789 3.400 -3.791 1.00 0.00 C ATOM 457 CD1 PHE A 31 -0.820 4.047 -4.588 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.176 2.090 -4.128 1.00 0.00 C ATOM 459 CE1 PHE A 31 -0.180 3.356 -5.627 1.00 0.00 C ATOM 460 CE2 PHE A 31 -1.565 1.411 -5.193 1.00 0.00 C ATOM 461 CZ PHE A 31 -0.553 2.039 -5.931 1.00 0.00 C ATOM 0 H PHE A 31 -3.683 5.583 -1.158 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.378 3.993 -0.882 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.248 3.408 -2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.140 4.905 -3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.570 5.080 -4.396 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.953 1.601 -3.560 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.602 3.839 -6.194 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.874 0.407 -5.443 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.061 1.509 -6.733 1.00 0.00 H new ATOM 471 N LYS A 32 -0.866 6.855 -2.445 1.00 0.00 N ATOM 472 CA LYS A 32 0.222 7.695 -2.913 1.00 0.00 C ATOM 473 C LYS A 32 1.008 8.273 -1.754 1.00 0.00 C ATOM 474 O LYS A 32 2.219 8.085 -1.732 1.00 0.00 O ATOM 475 CB LYS A 32 -0.316 8.801 -3.825 1.00 0.00 C ATOM 476 CG LYS A 32 0.799 9.412 -4.689 1.00 0.00 C ATOM 477 CD LYS A 32 0.196 10.095 -5.919 1.00 0.00 C ATOM 478 CE LYS A 32 1.286 10.615 -6.861 1.00 0.00 C ATOM 479 NZ LYS A 32 0.711 11.004 -8.165 1.00 0.00 N ATOM 0 H LYS A 32 -1.794 7.273 -2.510 1.00 0.00 H new ATOM 0 HA LYS A 32 0.907 7.076 -3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.096 8.395 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.777 9.581 -3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.368 10.135 -4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.496 8.634 -5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.442 9.390 -6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.439 10.923 -5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.785 11.472 -6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.044 9.845 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.467 11.353 -8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.255 10.178 -8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.005 11.754 -8.023 1.00 0.00 H new ATOM 493 N GLN A 33 0.329 8.873 -0.773 1.00 0.00 N ATOM 494 CA GLN A 33 1.012 9.490 0.351 1.00 0.00 C ATOM 495 C GLN A 33 1.741 8.501 1.250 1.00 0.00 C ATOM 496 O GLN A 33 2.946 8.649 1.405 1.00 0.00 O ATOM 497 CB GLN A 33 -0.022 10.318 1.144 1.00 0.00 C ATOM 498 CG GLN A 33 0.482 10.883 2.491 1.00 0.00 C ATOM 499 CD GLN A 33 0.235 9.934 3.663 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.156 9.344 4.218 1.00 0.00 O ATOM 501 NE2 GLN A 33 -1.018 9.736 4.036 1.00 0.00 N ATOM 0 H GLN A 33 -0.688 8.941 -0.740 1.00 0.00 H new ATOM 0 HA GLN A 33 1.800 10.132 -0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.353 11.149 0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.895 9.694 1.334 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.550 11.090 2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.013 11.833 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.775 10.233 3.566 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.228 9.086 4.794 1.00 0.00 H new ATOM 510 N TYR A 34 1.081 7.446 1.729 1.00 0.00 N ATOM 511 CA TYR A 34 1.703 6.488 2.638 1.00 0.00 C ATOM 512 C TYR A 34 2.934 5.831 2.032 1.00 0.00 C ATOM 513 O TYR A 34 3.966 5.732 2.687 1.00 0.00 O ATOM 514 CB TYR A 34 0.660 5.457 3.089 1.00 0.00 C ATOM 515 CG TYR A 34 1.203 4.364 3.985 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.406 3.076 3.460 1.00 0.00 C ATOM 517 CD2 TYR A 34 1.533 4.633 5.326 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.962 2.063 4.256 1.00 0.00 C ATOM 519 CE2 TYR A 34 2.105 3.625 6.126 1.00 0.00 C ATOM 520 CZ TYR A 34 2.337 2.338 5.588 1.00 0.00 C ATOM 521 OH TYR A 34 2.903 1.350 6.331 1.00 0.00 O ATOM 0 H TYR A 34 0.110 7.234 1.500 1.00 0.00 H new ATOM 0 HA TYR A 34 2.061 7.028 3.515 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.141 5.976 3.615 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.216 4.998 2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.132 2.865 2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.348 5.612 5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.103 1.073 3.849 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.367 3.835 7.152 1.00 0.00 H new ATOM 0 HH TYR A 34 3.108 1.691 7.227 1.00 0.00 H new ATOM 531 N ALA A 35 2.836 5.363 0.789 1.00 0.00 N ATOM 532 CA ALA A 35 3.960 4.712 0.146 1.00 0.00 C ATOM 533 C ALA A 35 5.070 5.681 -0.246 1.00 0.00 C ATOM 534 O ALA A 35 6.229 5.410 0.040 1.00 0.00 O ATOM 535 CB ALA A 35 3.463 3.937 -1.060 1.00 0.00 C ATOM 0 H ALA A 35 1.994 5.425 0.216 1.00 0.00 H new ATOM 0 HA ALA A 35 4.406 4.029 0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.304 3.445 -1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.741 3.187 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.986 4.622 -1.761 1.00 0.00 H new ATOM 541 N ASN A 36 4.769 6.795 -0.913 1.00 0.00 N ATOM 542 CA ASN A 36 5.833 7.715 -1.310 1.00 0.00 C ATOM 543 C ASN A 36 6.538 8.323 -0.102 1.00 0.00 C ATOM 544 O ASN A 36 7.748 8.528 -0.163 1.00 0.00 O ATOM 545 CB ASN A 36 5.287 8.774 -2.253 1.00 0.00 C ATOM 546 CG ASN A 36 6.325 9.839 -2.564 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.142 11.014 -2.251 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.424 9.456 -3.185 1.00 0.00 N ATOM 0 H ASN A 36 3.827 7.077 -1.183 1.00 0.00 H new ATOM 0 HA ASN A 36 6.593 7.148 -1.849 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.961 8.302 -3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.409 9.241 -1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.144 10.140 -3.416 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.553 8.476 -3.435 1.00 0.00 H new ATOM 555 N ASP A 37 5.814 8.560 0.993 1.00 0.00 N ATOM 556 CA ASP A 37 6.355 9.111 2.238 1.00 0.00 C ATOM 557 C ASP A 37 7.287 8.088 2.914 1.00 0.00 C ATOM 558 O ASP A 37 8.089 8.451 3.774 1.00 0.00 O ATOM 559 CB ASP A 37 5.179 9.508 3.135 1.00 0.00 C ATOM 560 CG ASP A 37 5.569 10.249 4.403 1.00 0.00 C ATOM 561 OD1 ASP A 37 5.788 11.484 4.329 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.484 9.635 5.491 1.00 0.00 O ATOM 0 H ASP A 37 4.813 8.370 1.041 1.00 0.00 H new ATOM 0 HA ASP A 37 6.958 9.997 2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.496 10.134 2.560 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.630 8.608 3.411 1.00 0.00 H new ATOM 567 N ASN A 38 7.195 6.814 2.504 1.00 0.00 N ATOM 568 CA ASN A 38 7.996 5.679 2.968 1.00 0.00 C ATOM 569 C ASN A 38 9.295 5.611 2.134 1.00 0.00 C ATOM 570 O ASN A 38 10.161 4.792 2.426 1.00 0.00 O ATOM 571 CB ASN A 38 7.148 4.393 2.815 1.00 0.00 C ATOM 572 CG ASN A 38 7.507 3.172 3.658 1.00 0.00 C ATOM 573 OD1 ASN A 38 8.568 2.562 3.544 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.546 2.684 4.432 1.00 0.00 N ATOM 0 H ASN A 38 6.516 6.535 1.796 1.00 0.00 H new ATOM 0 HA ASN A 38 8.275 5.788 4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.112 4.652 3.034 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.187 4.094 1.767 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.689 1.805 4.930 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.664 3.187 4.529 1.00 0.00 H new ATOM 581 N GLY A 39 9.462 6.454 1.098 1.00 0.00 N ATOM 582 CA GLY A 39 10.659 6.492 0.261 1.00 0.00 C ATOM 583 C GLY A 39 10.732 5.393 -0.797 1.00 0.00 C ATOM 584 O GLY A 39 11.826 4.863 -1.002 1.00 0.00 O ATOM 0 H GLY A 39 8.755 7.135 0.821 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.707 7.461 -0.237 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.537 6.419 0.903 1.00 0.00 H new ATOM 588 N VAL A 40 9.626 5.051 -1.474 1.00 0.00 N ATOM 589 CA VAL A 40 9.599 3.970 -2.474 1.00 0.00 C ATOM 590 C VAL A 40 9.442 4.407 -3.933 1.00 0.00 C ATOM 591 O VAL A 40 8.704 5.361 -4.216 1.00 0.00 O ATOM 592 CB VAL A 40 8.470 2.973 -2.126 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.399 2.711 -0.621 1.00 0.00 C ATOM 594 CG2 VAL A 40 7.060 3.431 -2.549 1.00 0.00 C ATOM 0 H VAL A 40 8.726 5.514 -1.345 1.00 0.00 H new ATOM 0 HA VAL A 40 10.588 3.515 -2.415 1.00 0.00 H new ATOM 0 HB VAL A 40 8.738 2.079 -2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.595 2.006 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.346 2.293 -0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.206 3.647 -0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.331 2.672 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.818 4.370 -2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.033 3.575 -3.629 1.00 0.00 H new ATOM 604 N ASP A 41 10.217 3.811 -4.837 1.00 0.00 N ATOM 605 CA ASP A 41 10.174 4.018 -6.284 1.00 0.00 C ATOM 606 C ASP A 41 10.357 2.649 -6.961 1.00 0.00 C ATOM 607 O ASP A 41 11.365 2.425 -7.630 1.00 0.00 O ATOM 608 CB ASP A 41 11.145 5.104 -6.767 1.00 0.00 C ATOM 609 CG ASP A 41 10.753 5.532 -8.181 1.00 0.00 C ATOM 610 OD1 ASP A 41 11.516 5.287 -9.143 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.663 6.133 -8.334 1.00 0.00 O ATOM 0 H ASP A 41 10.930 3.134 -4.566 1.00 0.00 H new ATOM 0 HA ASP A 41 9.204 4.420 -6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.117 5.960 -6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.167 4.725 -6.758 1.00 0.00 H new ATOM 616 N GLY A 42 9.408 1.719 -6.799 1.00 0.00 N ATOM 617 CA GLY A 42 9.469 0.360 -7.347 1.00 0.00 C ATOM 618 C GLY A 42 8.162 -0.118 -7.983 1.00 0.00 C ATOM 619 O GLY A 42 7.277 0.686 -8.297 1.00 0.00 O ATOM 0 H GLY A 42 8.555 1.896 -6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.261 0.317 -8.095 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.746 -0.329 -6.549 1.00 0.00 H new ATOM 623 N GLU A 43 8.045 -1.431 -8.205 1.00 0.00 N ATOM 624 CA GLU A 43 6.883 -2.069 -8.829 1.00 0.00 C ATOM 625 C GLU A 43 5.929 -2.656 -7.786 1.00 0.00 C ATOM 626 O GLU A 43 6.357 -3.142 -6.736 1.00 0.00 O ATOM 627 CB GLU A 43 7.306 -3.088 -9.897 1.00 0.00 C ATOM 628 CG GLU A 43 8.041 -4.331 -9.378 1.00 0.00 C ATOM 629 CD GLU A 43 8.132 -5.386 -10.479 1.00 0.00 C ATOM 630 OE1 GLU A 43 7.218 -6.236 -10.565 1.00 0.00 O ATOM 631 OE2 GLU A 43 9.077 -5.334 -11.301 1.00 0.00 O ATOM 0 H GLU A 43 8.775 -2.096 -7.949 1.00 0.00 H new ATOM 0 HA GLU A 43 6.320 -1.295 -9.350 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.416 -3.413 -10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.948 -2.584 -10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.041 -4.058 -9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.516 -4.740 -8.515 1.00 0.00 H new ATOM 638 N TRP A 44 4.628 -2.612 -8.094 1.00 0.00 N ATOM 639 CA TRP A 44 3.538 -3.067 -7.238 1.00 0.00 C ATOM 640 C TRP A 44 2.796 -4.307 -7.750 1.00 0.00 C ATOM 641 O TRP A 44 2.545 -4.418 -8.952 1.00 0.00 O ATOM 642 CB TRP A 44 2.545 -1.901 -7.117 1.00 0.00 C ATOM 643 CG TRP A 44 3.055 -0.641 -6.471 1.00 0.00 C ATOM 644 CD1 TRP A 44 4.127 0.097 -6.849 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.501 0.053 -5.317 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.310 1.148 -5.979 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.294 1.208 -5.051 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.401 -0.186 -4.470 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.986 2.098 -4.014 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.075 0.707 -3.436 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.849 1.859 -3.223 1.00 0.00 C ATOM 0 H TRP A 44 4.297 -2.242 -8.985 1.00 0.00 H new ATOM 0 HA TRP A 44 3.972 -3.364 -6.283 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.191 -1.651 -8.117 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.681 -2.248 -6.550 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.748 -0.110 -7.708 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.096 1.798 -6.017 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.799 -1.070 -4.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.614 2.956 -3.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.224 0.506 -2.801 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.571 2.561 -2.451 1.00 0.00 H new ATOM 662 N THR A 45 2.373 -5.191 -6.844 1.00 0.00 N ATOM 663 CA THR A 45 1.616 -6.422 -7.107 1.00 0.00 C ATOM 664 C THR A 45 0.344 -6.393 -6.245 1.00 0.00 C ATOM 665 O THR A 45 0.271 -5.603 -5.297 1.00 0.00 O ATOM 666 CB THR A 45 2.478 -7.670 -6.848 1.00 0.00 C ATOM 667 OG1 THR A 45 3.218 -7.538 -5.645 1.00 0.00 O ATOM 668 CG2 THR A 45 3.446 -7.920 -8.007 1.00 0.00 C ATOM 0 H THR A 45 2.559 -5.062 -5.849 1.00 0.00 H new ATOM 0 HA THR A 45 1.329 -6.475 -8.157 1.00 0.00 H new ATOM 0 HB THR A 45 1.798 -8.518 -6.759 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.756 -8.344 -5.502 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.043 -8.808 -7.798 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.881 -8.071 -8.927 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.105 -7.059 -8.123 1.00 0.00 H new ATOM 676 N TYR A 46 -0.639 -7.267 -6.510 1.00 0.00 N ATOM 677 CA TYR A 46 -1.897 -7.293 -5.766 1.00 0.00 C ATOM 678 C TYR A 46 -2.341 -8.707 -5.370 1.00 0.00 C ATOM 679 O TYR A 46 -2.296 -9.642 -6.168 1.00 0.00 O ATOM 680 CB TYR A 46 -2.965 -6.607 -6.634 1.00 0.00 C ATOM 681 CG TYR A 46 -4.337 -6.560 -5.996 1.00 0.00 C ATOM 682 CD1 TYR A 46 -4.488 -5.965 -4.732 1.00 0.00 C ATOM 683 CD2 TYR A 46 -5.454 -7.118 -6.650 1.00 0.00 C ATOM 684 CE1 TYR A 46 -5.746 -5.941 -4.118 1.00 0.00 C ATOM 685 CE2 TYR A 46 -6.716 -7.112 -6.028 1.00 0.00 C ATOM 686 CZ TYR A 46 -6.865 -6.507 -4.761 1.00 0.00 C ATOM 687 OH TYR A 46 -8.083 -6.377 -4.177 1.00 0.00 O ATOM 0 H TYR A 46 -0.580 -7.972 -7.245 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.754 -6.764 -4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.642 -5.589 -6.853 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.036 -7.131 -7.587 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.635 -5.527 -4.235 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.341 -7.552 -7.632 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.860 -5.486 -3.145 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.565 -7.567 -6.516 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.686 -7.069 -4.521 1.00 0.00 H new ATOM 697 N ASP A 47 -2.798 -8.880 -4.131 1.00 0.00 N ATOM 698 CA ASP A 47 -3.299 -10.109 -3.512 1.00 0.00 C ATOM 699 C ASP A 47 -4.668 -9.769 -2.921 1.00 0.00 C ATOM 700 O ASP A 47 -4.761 -9.150 -1.862 1.00 0.00 O ATOM 701 CB ASP A 47 -2.305 -10.639 -2.467 1.00 0.00 C ATOM 702 CG ASP A 47 -1.436 -11.748 -3.045 1.00 0.00 C ATOM 703 OD1 ASP A 47 -1.980 -12.827 -3.368 1.00 0.00 O ATOM 704 OD2 ASP A 47 -0.202 -11.535 -3.151 1.00 0.00 O ATOM 0 H ASP A 47 -2.831 -8.098 -3.477 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.405 -10.916 -4.237 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.673 -9.823 -2.117 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.850 -11.015 -1.601 1.00 0.00 H new ATOM 709 N ASP A 48 -5.745 -10.142 -3.610 1.00 0.00 N ATOM 710 CA ASP A 48 -7.122 -9.850 -3.206 1.00 0.00 C ATOM 711 C ASP A 48 -7.595 -10.405 -1.857 1.00 0.00 C ATOM 712 O ASP A 48 -8.546 -9.847 -1.309 1.00 0.00 O ATOM 713 CB ASP A 48 -8.100 -10.293 -4.300 1.00 0.00 C ATOM 714 CG ASP A 48 -9.466 -9.642 -4.071 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.405 -10.283 -3.564 1.00 0.00 O ATOM 716 OD2 ASP A 48 -9.605 -8.436 -4.378 1.00 0.00 O ATOM 0 H ASP A 48 -5.685 -10.666 -4.483 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.114 -8.769 -3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.714 -10.014 -5.280 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.199 -11.378 -4.294 1.00 0.00 H new ATOM 721 N ALA A 49 -6.892 -11.352 -1.222 1.00 0.00 N ATOM 722 CA ALA A 49 -7.339 -11.934 0.051 1.00 0.00 C ATOM 723 C ALA A 49 -7.577 -10.871 1.133 1.00 0.00 C ATOM 724 O ALA A 49 -8.581 -10.925 1.848 1.00 0.00 O ATOM 725 CB ALA A 49 -6.317 -12.969 0.527 1.00 0.00 C ATOM 0 H ALA A 49 -6.011 -11.732 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.299 -12.419 -0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.649 -13.400 1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.223 -13.758 -0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.350 -12.487 0.669 1.00 0.00 H new ATOM 731 N THR A 50 -6.678 -9.901 1.254 1.00 0.00 N ATOM 732 CA THR A 50 -6.768 -8.787 2.205 1.00 0.00 C ATOM 733 C THR A 50 -6.600 -7.469 1.425 1.00 0.00 C ATOM 734 O THR A 50 -6.390 -6.406 2.007 1.00 0.00 O ATOM 735 CB THR A 50 -5.769 -8.953 3.373 1.00 0.00 C ATOM 736 OG1 THR A 50 -5.450 -10.316 3.623 1.00 0.00 O ATOM 737 CG2 THR A 50 -6.331 -8.370 4.672 1.00 0.00 C ATOM 0 H THR A 50 -5.838 -9.862 0.677 1.00 0.00 H new ATOM 0 HA THR A 50 -7.747 -8.774 2.683 1.00 0.00 H new ATOM 0 HB THR A 50 -4.870 -8.417 3.067 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.815 -10.372 4.367 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.605 -8.502 5.474 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.533 -7.307 4.537 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.256 -8.885 4.931 1.00 0.00 H new ATOM 745 N LYS A 51 -6.690 -7.535 0.085 1.00 0.00 N ATOM 746 CA LYS A 51 -6.516 -6.459 -0.865 1.00 0.00 C ATOM 747 C LYS A 51 -5.143 -5.862 -0.565 1.00 0.00 C ATOM 748 O LYS A 51 -4.959 -4.659 -0.413 1.00 0.00 O ATOM 749 CB LYS A 51 -7.732 -5.526 -0.932 1.00 0.00 C ATOM 750 CG LYS A 51 -9.038 -6.320 -1.061 1.00 0.00 C ATOM 751 CD LYS A 51 -10.223 -5.419 -1.419 1.00 0.00 C ATOM 752 CE LYS A 51 -11.499 -6.259 -1.509 1.00 0.00 C ATOM 753 NZ LYS A 51 -11.491 -7.170 -2.672 1.00 0.00 N ATOM 0 H LYS A 51 -6.903 -8.416 -0.382 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.498 -6.786 -1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.768 -4.907 -0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.629 -4.851 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.922 -7.088 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.244 -6.834 -0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.341 -4.640 -0.666 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.038 -4.918 -2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.613 -6.842 -0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.363 -5.597 -1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.233 -6.884 -3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.564 -7.125 -3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.671 -8.143 -2.352 1.00 0.00 H new ATOM 767 N THR A 52 -4.211 -6.797 -0.430 1.00 0.00 N ATOM 768 CA THR A 52 -2.820 -6.712 -0.116 1.00 0.00 C ATOM 769 C THR A 52 -2.002 -6.255 -1.313 1.00 0.00 C ATOM 770 O THR A 52 -1.911 -6.950 -2.327 1.00 0.00 O ATOM 771 CB THR A 52 -2.420 -8.144 0.304 1.00 0.00 C ATOM 772 OG1 THR A 52 -3.322 -8.692 1.250 1.00 0.00 O ATOM 773 CG2 THR A 52 -1.011 -8.303 0.866 1.00 0.00 C ATOM 0 H THR A 52 -4.473 -7.774 -0.562 1.00 0.00 H new ATOM 0 HA THR A 52 -2.631 -5.980 0.669 1.00 0.00 H new ATOM 0 HB THR A 52 -2.455 -8.684 -0.642 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.035 -9.598 1.488 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.839 -9.347 1.127 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.283 -7.992 0.117 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.902 -7.684 1.756 1.00 0.00 H new ATOM 781 N PHE A 53 -1.395 -5.084 -1.191 1.00 0.00 N ATOM 782 CA PHE A 53 -0.521 -4.518 -2.197 1.00 0.00 C ATOM 783 C PHE A 53 0.879 -4.719 -1.626 1.00 0.00 C ATOM 784 O PHE A 53 1.079 -4.507 -0.421 1.00 0.00 O ATOM 785 CB PHE A 53 -0.840 -3.047 -2.446 1.00 0.00 C ATOM 786 CG PHE A 53 -2.075 -2.833 -3.298 1.00 0.00 C ATOM 787 CD1 PHE A 53 -1.947 -2.620 -4.684 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.352 -2.826 -2.705 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.085 -2.352 -5.462 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.488 -2.551 -3.484 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.353 -2.299 -4.860 1.00 0.00 C ATOM 0 H PHE A 53 -1.502 -4.490 -0.369 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.634 -4.993 -3.172 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.978 -2.546 -1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.014 -2.575 -2.933 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.973 -2.663 -5.149 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.458 -3.032 -1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.985 -2.186 -6.525 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.466 -2.533 -3.025 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.224 -2.065 -5.454 1.00 0.00 H new ATOM 801 N THR A 54 1.811 -5.182 -2.456 1.00 0.00 N ATOM 802 CA THR A 54 3.197 -5.419 -2.071 1.00 0.00 C ATOM 803 C THR A 54 4.079 -4.710 -3.097 1.00 0.00 C ATOM 804 O THR A 54 3.742 -4.663 -4.283 1.00 0.00 O ATOM 805 CB THR A 54 3.512 -6.925 -1.936 1.00 0.00 C ATOM 806 OG1 THR A 54 2.421 -7.645 -1.381 1.00 0.00 O ATOM 807 CG2 THR A 54 4.745 -7.168 -1.055 1.00 0.00 C ATOM 0 H THR A 54 1.619 -5.406 -3.432 1.00 0.00 H new ATOM 0 HA THR A 54 3.395 -5.012 -1.079 1.00 0.00 H new ATOM 0 HB THR A 54 3.707 -7.282 -2.947 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.656 -8.594 -1.312 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.936 -8.239 -0.983 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.611 -6.674 -1.496 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.566 -6.764 -0.059 1.00 0.00 H new ATOM 815 N VAL A 55 5.181 -4.132 -2.626 1.00 0.00 N ATOM 816 CA VAL A 55 6.151 -3.396 -3.419 1.00 0.00 C ATOM 817 C VAL A 55 7.503 -4.073 -3.342 1.00 0.00 C ATOM 818 O VAL A 55 7.904 -4.522 -2.264 1.00 0.00 O ATOM 819 CB VAL A 55 6.211 -1.932 -2.932 1.00 0.00 C ATOM 820 CG1 VAL A 55 7.566 -1.224 -3.123 1.00 0.00 C ATOM 821 CG2 VAL A 55 5.148 -1.143 -3.690 1.00 0.00 C ATOM 0 H VAL A 55 5.429 -4.168 -1.637 1.00 0.00 H new ATOM 0 HA VAL A 55 5.848 -3.390 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 55 6.046 -1.965 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.499 -0.203 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.338 -1.762 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.821 -1.206 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.167 -0.102 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.351 -1.194 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.165 -1.568 -3.487 1.00 0.00 H new ATOM 831 N THR A 56 8.180 -4.140 -4.483 1.00 0.00 N ATOM 832 CA THR A 56 9.501 -4.708 -4.588 1.00 0.00 C ATOM 833 C THR A 56 10.434 -3.554 -4.944 1.00 0.00 C ATOM 834 O THR A 56 10.474 -3.096 -6.088 1.00 0.00 O ATOM 835 CB THR A 56 9.496 -5.847 -5.613 1.00 0.00 C ATOM 836 OG1 THR A 56 8.843 -6.968 -5.048 1.00 0.00 O ATOM 837 CG2 THR A 56 10.899 -6.297 -6.007 1.00 0.00 C ATOM 0 H THR A 56 7.813 -3.793 -5.369 1.00 0.00 H new ATOM 0 HA THR A 56 9.846 -5.163 -3.660 1.00 0.00 H new ATOM 0 HB THR A 56 8.990 -5.470 -6.501 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.833 -7.702 -5.697 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.831 -7.105 -6.735 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.440 -5.459 -6.445 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.430 -6.649 -5.123 1.00 0.00 H new ATOM 845 N GLU A 57 11.173 -3.107 -3.931 1.00 0.00 N ATOM 846 CA GLU A 57 12.164 -2.045 -4.019 1.00 0.00 C ATOM 847 C GLU A 57 13.525 -2.726 -4.123 1.00 0.00 C ATOM 848 O GLU A 57 14.431 -2.218 -4.809 1.00 0.00 O ATOM 849 CB GLU A 57 12.062 -1.179 -2.756 1.00 0.00 C ATOM 850 CG GLU A 57 12.933 0.091 -2.788 1.00 0.00 C ATOM 851 CD GLU A 57 12.239 1.365 -3.309 1.00 0.00 C ATOM 852 OE1 GLU A 57 11.094 1.352 -3.812 1.00 0.00 O ATOM 853 OE2 GLU A 57 12.866 2.437 -3.127 1.00 0.00 O ATOM 0 H GLU A 57 11.092 -3.492 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 57 12.011 -1.397 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.021 -0.889 -2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.348 -1.780 -1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.297 0.285 -1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.806 -0.105 -3.410 1.00 0.00 H new