USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 GLN : amide:sc=-0.00228 K(o=-0.0061,f=-1.2) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -124:sc=-0.00384 (180deg=-0.0454) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc=-0.00294 (180deg=-0.0716) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 130:sc= 0.682 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 11 GLN : amide:sc= -0.0382 X(o=-0.038,f=-0.0019) USER MOD Single : A 12 GLN : amide:sc= -0.241 K(o=-0.24,f=-2!) USER MOD Single : A 14 THR OG1 : rot 170:sc= -0.505 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -141:sc= -10! (180deg=-12.6!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -133:sc= -0.668 (180deg=-2.68!) USER MOD Single : A 31 LYS NZ :NH3+ 147:sc= -0.333 (180deg=-1.25!) USER MOD Single : A 46 GLN : amide:sc= -6.46! C(o=-6.5!,f=-11!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 109:sc= 0.472 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.437 USER MOD Single : A 64 TYR OH : rot 164:sc= 1.31 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.67 F(o=-2.9,f=-0.67) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 47:sc= 0.0449 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 48.032 7.139 -2.588 1.00 0.00 N ATOM 2 CA MET A 1 48.598 6.772 -1.295 1.00 0.00 C ATOM 3 C MET A 1 50.075 6.413 -1.437 1.00 0.00 C ATOM 4 O MET A 1 50.435 5.255 -1.630 1.00 0.00 O ATOM 5 CB MET A 1 47.864 5.564 -0.695 1.00 0.00 C ATOM 6 CG MET A 1 46.408 5.864 -0.321 1.00 0.00 C ATOM 7 SD MET A 1 46.135 5.761 1.459 1.00 0.00 S ATOM 8 CE MET A 1 46.991 7.261 1.976 1.00 0.00 C ATOM 0 H1 MET A 1 47.128 7.632 -2.444 1.00 0.00 H new ATOM 0 H2 MET A 1 48.692 7.766 -3.090 1.00 0.00 H new ATOM 0 H3 MET A 1 47.872 6.281 -3.153 1.00 0.00 H new ATOM 0 HA MET A 1 48.485 7.633 -0.637 1.00 0.00 H new ATOM 0 HB2 MET A 1 47.886 4.742 -1.411 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.398 5.228 0.194 1.00 0.00 H new ATOM 0 HG2 MET A 1 46.141 6.861 -0.672 1.00 0.00 H new ATOM 0 HG3 MET A 1 45.750 5.160 -0.830 1.00 0.00 H new ATOM 0 HE1 MET A 1 46.925 7.362 3.059 1.00 0.00 H new ATOM 0 HE2 MET A 1 48.038 7.203 1.680 1.00 0.00 H new ATOM 0 HE3 MET A 1 46.528 8.126 1.502 1.00 0.00 H new ATOM 20 N ALA A 2 50.903 7.477 -1.333 1.00 0.00 N ATOM 21 CA ALA A 2 52.347 7.322 -1.446 1.00 0.00 C ATOM 22 C ALA A 2 52.736 6.783 -2.840 1.00 0.00 C ATOM 23 O ALA A 2 51.885 6.442 -3.653 1.00 0.00 O ATOM 24 CB ALA A 2 52.861 6.439 -0.300 1.00 0.00 C ATOM 0 H ALA A 2 50.589 8.434 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 2 52.829 8.295 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 2 53.941 6.324 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 2 52.621 6.906 0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 2 52.386 5.459 -0.355 1.00 0.00 H new ATOM 30 N VAL A 3 54.063 6.727 -3.067 1.00 0.00 N ATOM 31 CA VAL A 3 54.563 6.232 -4.349 1.00 0.00 C ATOM 32 C VAL A 3 54.889 4.737 -4.204 1.00 0.00 C ATOM 33 O VAL A 3 54.776 4.155 -3.133 1.00 0.00 O ATOM 34 CB VAL A 3 55.791 7.057 -4.786 1.00 0.00 C ATOM 35 CG1 VAL A 3 55.494 8.573 -4.798 1.00 0.00 C ATOM 36 CG2 VAL A 3 57.053 6.712 -3.971 1.00 0.00 C ATOM 0 H VAL A 3 54.781 7.010 -2.400 1.00 0.00 H new ATOM 0 HA VAL A 3 53.809 6.345 -5.128 1.00 0.00 H new ATOM 0 HB VAL A 3 56.008 6.772 -5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 3 56.386 9.116 -5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 3 54.680 8.779 -5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 3 55.206 8.895 -3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 3 57.888 7.320 -4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 3 56.871 6.914 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 3 57.294 5.657 -4.102 1.00 0.00 H new ATOM 46 N THR A 4 55.319 4.176 -5.352 1.00 0.00 N ATOM 47 CA THR A 4 55.753 2.789 -5.389 1.00 0.00 C ATOM 48 C THR A 4 57.280 2.759 -5.539 1.00 0.00 C ATOM 49 O THR A 4 57.797 2.727 -6.650 1.00 0.00 O ATOM 50 CB THR A 4 55.092 2.094 -6.588 1.00 0.00 C ATOM 51 OG1 THR A 4 53.706 2.326 -6.557 1.00 0.00 O ATOM 52 CG2 THR A 4 55.375 0.585 -6.623 1.00 0.00 C ATOM 0 H THR A 4 55.370 4.664 -6.246 1.00 0.00 H new ATOM 0 HA THR A 4 55.467 2.272 -4.473 1.00 0.00 H new ATOM 0 HB THR A 4 55.523 2.518 -7.495 1.00 0.00 H new ATOM 0 HG1 THR A 4 53.283 1.884 -7.323 1.00 0.00 H new ATOM 0 HG21 THR A 4 54.885 0.143 -7.490 1.00 0.00 H new ATOM 0 HG22 THR A 4 56.450 0.418 -6.690 1.00 0.00 H new ATOM 0 HG23 THR A 4 54.991 0.122 -5.714 1.00 0.00 H new ATOM 60 N ILE A 5 57.972 2.722 -4.378 1.00 0.00 N ATOM 61 CA ILE A 5 59.425 2.536 -4.366 1.00 0.00 C ATOM 62 C ILE A 5 59.809 1.282 -5.186 1.00 0.00 C ATOM 63 O ILE A 5 58.988 0.442 -5.441 1.00 0.00 O ATOM 64 CB ILE A 5 59.922 2.470 -2.894 1.00 0.00 C ATOM 65 CG1 ILE A 5 60.362 3.871 -2.438 1.00 0.00 C ATOM 66 CG2 ILE A 5 61.087 1.518 -2.706 1.00 0.00 C ATOM 67 CD1 ILE A 5 61.463 3.893 -1.370 1.00 0.00 C ATOM 0 H ILE A 5 57.548 2.818 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 5 59.919 3.383 -4.842 1.00 0.00 H new ATOM 0 HB ILE A 5 59.088 2.100 -2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 5 60.711 4.426 -3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 5 59.491 4.400 -2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 5 61.389 1.515 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 5 60.786 0.512 -3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 5 61.924 1.841 -3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 5 61.703 4.925 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 5 61.115 3.371 -0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 5 62.354 3.398 -1.756 1.00 0.00 H new ATOM 79 N THR A 6 61.116 1.234 -5.554 1.00 0.00 N ATOM 80 CA THR A 6 61.691 0.064 -6.211 1.00 0.00 C ATOM 81 C THR A 6 63.058 -0.200 -5.569 1.00 0.00 C ATOM 82 O THR A 6 63.819 0.717 -5.377 1.00 0.00 O ATOM 83 CB THR A 6 61.816 0.362 -7.703 1.00 0.00 C ATOM 84 OG1 THR A 6 60.568 0.789 -8.185 1.00 0.00 O ATOM 85 CG2 THR A 6 62.291 -0.849 -8.521 1.00 0.00 C ATOM 0 H THR A 6 61.777 1.996 -5.401 1.00 0.00 H new ATOM 0 HA THR A 6 61.068 -0.823 -6.094 1.00 0.00 H new ATOM 0 HB THR A 6 62.572 1.138 -7.819 1.00 0.00 H new ATOM 0 HG1 THR A 6 60.680 1.621 -8.691 1.00 0.00 H new ATOM 0 HG21 THR A 6 62.360 -0.573 -9.573 1.00 0.00 H new ATOM 0 HG22 THR A 6 63.271 -1.167 -8.165 1.00 0.00 H new ATOM 0 HG23 THR A 6 61.580 -1.667 -8.406 1.00 0.00 H new ATOM 93 N LEU A 7 63.323 -1.496 -5.246 1.00 0.00 N ATOM 94 CA LEU A 7 64.593 -1.867 -4.604 1.00 0.00 C ATOM 95 C LEU A 7 65.192 -3.082 -5.301 1.00 0.00 C ATOM 96 O LEU A 7 64.525 -3.749 -6.052 1.00 0.00 O ATOM 97 CB LEU A 7 64.444 -2.220 -3.112 1.00 0.00 C ATOM 98 CG LEU A 7 63.712 -1.205 -2.241 1.00 0.00 C ATOM 99 CD1 LEU A 7 64.068 0.231 -2.584 1.00 0.00 C ATOM 100 CD2 LEU A 7 62.214 -1.445 -2.282 1.00 0.00 C ATOM 0 H LEU A 7 62.687 -2.274 -5.418 1.00 0.00 H new ATOM 0 HA LEU A 7 65.235 -0.990 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 7 63.920 -3.173 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 7 65.440 -2.370 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 7 64.051 -1.356 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 7 63.517 0.908 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 7 65.138 0.384 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 7 63.805 0.433 -3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 7 61.710 -0.710 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 7 61.858 -1.350 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 7 61.996 -2.447 -1.914 1.00 0.00 H new ATOM 112 N LYS A 8 66.496 -3.309 -4.969 1.00 0.00 N ATOM 113 CA LYS A 8 67.246 -4.414 -5.558 1.00 0.00 C ATOM 114 C LYS A 8 68.448 -4.738 -4.680 1.00 0.00 C ATOM 115 O LYS A 8 69.274 -3.889 -4.434 1.00 0.00 O ATOM 116 CB LYS A 8 67.744 -4.022 -6.957 1.00 0.00 C ATOM 117 CG LYS A 8 67.961 -5.211 -7.905 1.00 0.00 C ATOM 118 CD LYS A 8 67.811 -4.826 -9.387 1.00 0.00 C ATOM 119 CE LYS A 8 69.021 -5.146 -10.260 1.00 0.00 C ATOM 120 NZ LYS A 8 68.818 -6.390 -10.993 1.00 0.00 N ATOM 0 H LYS A 8 67.025 -2.742 -4.307 1.00 0.00 H new ATOM 0 HA LYS A 8 66.594 -5.284 -5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 8 67.024 -3.339 -7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 8 68.682 -3.476 -6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 8 68.956 -5.624 -7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 8 67.246 -5.997 -7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 8 66.941 -5.341 -9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 8 67.608 -3.757 -9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 8 69.195 -4.330 -10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 8 69.912 -5.227 -9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 69.654 -6.587 -11.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 68.675 -7.170 -10.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 67.980 -6.301 -11.603 1.00 0.00 H new ATOM 134 N THR A 9 68.523 -6.005 -4.232 1.00 0.00 N ATOM 135 CA THR A 9 69.652 -6.434 -3.405 1.00 0.00 C ATOM 136 C THR A 9 71.000 -6.297 -4.138 1.00 0.00 C ATOM 137 O THR A 9 71.357 -5.235 -4.633 1.00 0.00 O ATOM 138 CB THR A 9 69.376 -7.859 -2.928 1.00 0.00 C ATOM 139 OG1 THR A 9 69.160 -8.713 -4.023 1.00 0.00 O ATOM 140 CG2 THR A 9 68.154 -7.949 -2.040 1.00 0.00 C ATOM 0 H THR A 9 67.831 -6.729 -4.426 1.00 0.00 H new ATOM 0 HA THR A 9 69.743 -5.779 -2.538 1.00 0.00 H new ATOM 0 HB THR A 9 70.256 -8.158 -2.359 1.00 0.00 H new ATOM 0 HG1 THR A 9 68.986 -9.622 -3.700 1.00 0.00 H new ATOM 0 HG21 THR A 9 68.005 -8.983 -1.730 1.00 0.00 H new ATOM 0 HG22 THR A 9 68.298 -7.323 -1.159 1.00 0.00 H new ATOM 0 HG23 THR A 9 67.278 -7.605 -2.590 1.00 0.00 H new ATOM 148 N LEU A 10 71.742 -7.415 -4.184 1.00 0.00 N ATOM 149 CA LEU A 10 73.022 -7.394 -4.866 1.00 0.00 C ATOM 150 C LEU A 10 72.843 -7.811 -6.319 1.00 0.00 C ATOM 151 O LEU A 10 73.679 -8.513 -6.872 1.00 0.00 O ATOM 152 CB LEU A 10 73.988 -8.368 -4.194 1.00 0.00 C ATOM 153 CG LEU A 10 74.278 -8.070 -2.713 1.00 0.00 C ATOM 154 CD1 LEU A 10 74.302 -6.565 -2.388 1.00 0.00 C ATOM 155 CD2 LEU A 10 73.332 -8.836 -1.776 1.00 0.00 C ATOM 0 H LEU A 10 71.481 -8.310 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 10 73.424 -6.382 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 10 73.580 -9.376 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 10 74.930 -8.361 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 10 75.289 -8.435 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.512 -6.425 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.078 -6.078 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 10 73.334 -6.126 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 10 73.572 -8.596 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 10 72.302 -8.549 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 10 73.450 -9.908 -1.937 1.00 0.00 H new ATOM 167 N GLN A 11 71.718 -7.335 -6.902 1.00 0.00 N ATOM 168 CA GLN A 11 71.437 -7.537 -8.316 1.00 0.00 C ATOM 169 C GLN A 11 70.724 -8.876 -8.562 1.00 0.00 C ATOM 170 O GLN A 11 70.201 -9.122 -9.643 1.00 0.00 O ATOM 171 CB GLN A 11 72.688 -7.376 -9.210 1.00 0.00 C ATOM 172 CG GLN A 11 73.637 -6.243 -8.747 1.00 0.00 C ATOM 173 CD GLN A 11 74.004 -5.291 -9.880 1.00 0.00 C ATOM 174 OE1 GLN A 11 73.150 -4.646 -10.476 1.00 0.00 O ATOM 175 NE2 GLN A 11 75.325 -5.235 -10.118 1.00 0.00 N ATOM 0 H GLN A 11 70.999 -6.811 -6.403 1.00 0.00 H new ATOM 0 HA GLN A 11 70.754 -6.740 -8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 11 73.238 -8.317 -9.224 1.00 0.00 H new ATOM 0 HB3 GLN A 11 72.370 -7.177 -10.234 1.00 0.00 H new ATOM 0 HG2 GLN A 11 73.162 -5.681 -7.943 1.00 0.00 H new ATOM 0 HG3 GLN A 11 74.546 -6.680 -8.335 1.00 0.00 H new ATOM 0 HE21 GLN A 11 75.967 -5.809 -9.571 1.00 0.00 H new ATOM 0 HE22 GLN A 11 75.686 -4.618 -10.845 1.00 0.00 H new ATOM 184 N GLN A 12 70.733 -9.718 -7.503 1.00 0.00 N ATOM 185 CA GLN A 12 70.155 -11.047 -7.595 1.00 0.00 C ATOM 186 C GLN A 12 68.617 -10.980 -7.533 1.00 0.00 C ATOM 187 O GLN A 12 67.929 -11.628 -8.310 1.00 0.00 O ATOM 188 CB GLN A 12 70.713 -11.925 -6.465 1.00 0.00 C ATOM 189 CG GLN A 12 70.427 -13.427 -6.682 1.00 0.00 C ATOM 190 CD GLN A 12 71.669 -14.209 -7.150 1.00 0.00 C ATOM 191 OE1 GLN A 12 72.808 -13.788 -6.981 1.00 0.00 O ATOM 192 NE2 GLN A 12 71.373 -15.380 -7.740 1.00 0.00 N ATOM 0 H GLN A 12 71.133 -9.490 -6.593 1.00 0.00 H new ATOM 0 HA GLN A 12 70.426 -11.489 -8.554 1.00 0.00 H new ATOM 0 HB2 GLN A 12 71.789 -11.771 -6.389 1.00 0.00 H new ATOM 0 HB3 GLN A 12 70.278 -11.610 -5.517 1.00 0.00 H new ATOM 0 HG2 GLN A 12 70.059 -13.860 -5.752 1.00 0.00 H new ATOM 0 HG3 GLN A 12 69.633 -13.538 -7.421 1.00 0.00 H new ATOM 0 HE21 GLN A 12 70.400 -15.666 -7.846 1.00 0.00 H new ATOM 0 HE22 GLN A 12 72.122 -15.983 -8.081 1.00 0.00 H new ATOM 201 N GLN A 13 68.136 -10.164 -6.563 1.00 0.00 N ATOM 202 CA GLN A 13 66.698 -10.015 -6.331 1.00 0.00 C ATOM 203 C GLN A 13 66.331 -8.531 -6.395 1.00 0.00 C ATOM 204 O GLN A 13 67.160 -7.671 -6.168 1.00 0.00 O ATOM 205 CB GLN A 13 66.319 -10.566 -4.951 1.00 0.00 C ATOM 206 CG GLN A 13 66.658 -12.060 -4.785 1.00 0.00 C ATOM 207 CD GLN A 13 65.394 -12.897 -4.544 1.00 0.00 C ATOM 208 OE1 GLN A 13 64.618 -12.638 -3.632 1.00 0.00 O ATOM 209 NE2 GLN A 13 65.237 -13.905 -5.421 1.00 0.00 N ATOM 0 H GLN A 13 68.724 -9.609 -5.941 1.00 0.00 H new ATOM 0 HA GLN A 13 66.157 -10.571 -7.096 1.00 0.00 H new ATOM 0 HB2 GLN A 13 66.838 -9.994 -4.182 1.00 0.00 H new ATOM 0 HB3 GLN A 13 65.251 -10.421 -4.789 1.00 0.00 H new ATOM 0 HG2 GLN A 13 67.170 -12.420 -5.677 1.00 0.00 H new ATOM 0 HG3 GLN A 13 67.346 -12.188 -3.949 1.00 0.00 H new ATOM 0 HE21 GLN A 13 65.930 -14.055 -6.154 1.00 0.00 H new ATOM 0 HE22 GLN A 13 64.425 -14.519 -5.353 1.00 0.00 H new ATOM 218 N THR A 14 65.028 -8.321 -6.720 1.00 0.00 N ATOM 219 CA THR A 14 64.477 -6.979 -6.888 1.00 0.00 C ATOM 220 C THR A 14 63.019 -6.967 -6.419 1.00 0.00 C ATOM 221 O THR A 14 62.223 -7.808 -6.798 1.00 0.00 O ATOM 222 CB THR A 14 64.546 -6.542 -8.368 1.00 0.00 C ATOM 223 OG1 THR A 14 65.624 -7.179 -9.005 1.00 0.00 O ATOM 224 CG2 THR A 14 64.671 -5.023 -8.526 1.00 0.00 C ATOM 0 H THR A 14 64.353 -9.072 -6.867 1.00 0.00 H new ATOM 0 HA THR A 14 65.065 -6.282 -6.292 1.00 0.00 H new ATOM 0 HB THR A 14 63.608 -6.839 -8.836 1.00 0.00 H new ATOM 0 HG1 THR A 14 65.569 -7.028 -9.972 1.00 0.00 H new ATOM 0 HG21 THR A 14 64.716 -4.770 -9.585 1.00 0.00 H new ATOM 0 HG22 THR A 14 63.806 -4.538 -8.073 1.00 0.00 H new ATOM 0 HG23 THR A 14 65.580 -4.679 -8.032 1.00 0.00 H new ATOM 232 N PHE A 15 62.733 -5.946 -5.580 1.00 0.00 N ATOM 233 CA PHE A 15 61.387 -5.792 -5.051 1.00 0.00 C ATOM 234 C PHE A 15 61.113 -4.321 -4.761 1.00 0.00 C ATOM 235 O PHE A 15 61.937 -3.608 -4.232 1.00 0.00 O ATOM 236 CB PHE A 15 61.252 -6.615 -3.777 1.00 0.00 C ATOM 237 CG PHE A 15 62.471 -6.535 -2.896 1.00 0.00 C ATOM 238 CD1 PHE A 15 62.725 -5.414 -2.113 1.00 0.00 C ATOM 239 CD2 PHE A 15 63.342 -7.616 -2.822 1.00 0.00 C ATOM 240 CE1 PHE A 15 63.828 -5.367 -1.281 1.00 0.00 C ATOM 241 CE2 PHE A 15 64.422 -7.584 -1.968 1.00 0.00 C ATOM 242 CZ PHE A 15 64.653 -6.469 -1.182 1.00 0.00 C ATOM 0 H PHE A 15 63.404 -5.243 -5.270 1.00 0.00 H new ATOM 0 HA PHE A 15 60.661 -6.144 -5.784 1.00 0.00 H new ATOM 0 HB2 PHE A 15 60.382 -6.270 -3.218 1.00 0.00 H new ATOM 0 HB3 PHE A 15 61.068 -7.656 -4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 15 62.052 -4.570 -2.155 1.00 0.00 H new ATOM 0 HD2 PHE A 15 63.171 -8.486 -3.438 1.00 0.00 H new ATOM 0 HE1 PHE A 15 64.043 -4.474 -0.712 1.00 0.00 H new ATOM 0 HE2 PHE A 15 65.090 -8.431 -1.912 1.00 0.00 H new ATOM 0 HZ PHE A 15 65.481 -6.461 -0.489 1.00 0.00 H new ATOM 252 N LYS A 16 59.881 -3.939 -5.137 1.00 0.00 N ATOM 253 CA LYS A 16 59.378 -2.595 -4.897 1.00 0.00 C ATOM 254 C LYS A 16 58.457 -2.607 -3.672 1.00 0.00 C ATOM 255 O LYS A 16 57.917 -3.634 -3.295 1.00 0.00 O ATOM 256 CB LYS A 16 58.622 -2.116 -6.146 1.00 0.00 C ATOM 257 CG LYS A 16 57.947 -3.217 -6.947 1.00 0.00 C ATOM 258 CD LYS A 16 56.874 -2.629 -7.857 1.00 0.00 C ATOM 259 CE LYS A 16 56.067 -3.732 -8.526 1.00 0.00 C ATOM 260 NZ LYS A 16 55.083 -3.198 -9.453 1.00 0.00 N ATOM 0 H LYS A 16 59.219 -4.554 -5.611 1.00 0.00 H new ATOM 0 HA LYS A 16 60.203 -1.911 -4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 16 57.865 -1.393 -5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 16 59.321 -1.590 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 16 58.688 -3.748 -7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 16 57.500 -3.946 -6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 16 56.210 -1.988 -7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 16 57.340 -2.001 -8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 16 56.741 -4.403 -9.059 1.00 0.00 H new ATOM 0 HE3 LYS A 16 55.563 -4.326 -7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 54.554 -3.981 -9.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 54.424 -2.578 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 55.566 -2.652 -10.195 1.00 0.00 H new ATOM 274 N ILE A 17 58.329 -1.389 -3.082 1.00 0.00 N ATOM 275 CA ILE A 17 57.505 -1.221 -1.884 1.00 0.00 C ATOM 276 C ILE A 17 56.545 -0.054 -2.109 1.00 0.00 C ATOM 277 O ILE A 17 56.726 0.753 -2.999 1.00 0.00 O ATOM 278 CB ILE A 17 58.394 -0.981 -0.654 1.00 0.00 C ATOM 279 CG1 ILE A 17 59.502 -2.039 -0.567 1.00 0.00 C ATOM 280 CG2 ILE A 17 57.578 -0.962 0.635 1.00 0.00 C ATOM 281 CD1 ILE A 17 59.064 -3.455 -0.196 1.00 0.00 C ATOM 0 H ILE A 17 58.779 -0.537 -3.416 1.00 0.00 H new ATOM 0 HA ILE A 17 56.928 -2.127 -1.698 1.00 0.00 H new ATOM 0 HB ILE A 17 58.855 -0.000 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 17 60.011 -2.080 -1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 17 60.236 -1.705 0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 17 58.241 -0.790 1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 17 56.838 -0.163 0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 17 57.071 -1.919 0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 17 59.935 -4.109 -0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 17 58.586 -3.443 0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 17 58.358 -3.824 -0.940 1.00 0.00 H new ATOM 293 N ARG A 18 55.511 -0.036 -1.237 1.00 0.00 N ATOM 294 CA ARG A 18 54.508 1.014 -1.261 1.00 0.00 C ATOM 295 C ARG A 18 54.705 1.975 -0.072 1.00 0.00 C ATOM 296 O ARG A 18 53.873 2.065 0.823 1.00 0.00 O ATOM 297 CB ARG A 18 53.127 0.361 -1.167 1.00 0.00 C ATOM 298 CG ARG A 18 52.018 1.352 -1.552 1.00 0.00 C ATOM 299 CD ARG A 18 50.774 1.220 -0.673 1.00 0.00 C ATOM 300 NE ARG A 18 49.914 0.162 -1.180 1.00 0.00 N ATOM 301 CZ ARG A 18 48.767 -0.174 -0.550 1.00 0.00 C ATOM 302 NH1 ARG A 18 48.404 0.428 0.581 1.00 0.00 N ATOM 303 NH2 ARG A 18 47.989 -1.117 -1.071 1.00 0.00 N ATOM 0 H ARG A 18 55.363 -0.742 -0.516 1.00 0.00 H new ATOM 0 HA ARG A 18 54.599 1.586 -2.184 1.00 0.00 H new ATOM 0 HB2 ARG A 18 53.087 -0.508 -1.824 1.00 0.00 H new ATOM 0 HB3 ARG A 18 52.960 0.001 -0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 18 52.404 2.369 -1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 18 51.740 1.192 -2.594 1.00 0.00 H new ATOM 0 HD2 ARG A 18 51.066 1.001 0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 18 50.230 2.164 -0.655 1.00 0.00 H new ATOM 0 HE ARG A 18 50.182 -0.336 -2.029 1.00 0.00 H new ATOM 0 HH11 ARG A 18 48.995 1.155 0.984 1.00 0.00 H new ATOM 0 HH12 ARG A 18 47.535 0.162 1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 18 48.260 -1.580 -1.939 1.00 0.00 H new ATOM 0 HH22 ARG A 18 47.121 -1.378 -0.603 1.00 0.00 H new ATOM 317 N MET A 19 55.843 2.692 -0.128 1.00 0.00 N ATOM 318 CA MET A 19 56.150 3.667 0.915 1.00 0.00 C ATOM 319 C MET A 19 55.995 5.083 0.343 1.00 0.00 C ATOM 320 O MET A 19 55.538 5.257 -0.771 1.00 0.00 O ATOM 321 CB MET A 19 57.580 3.442 1.363 1.00 0.00 C ATOM 322 CG MET A 19 58.586 3.814 0.268 1.00 0.00 C ATOM 323 SD MET A 19 59.589 5.217 0.777 1.00 0.00 S ATOM 324 CE MET A 19 60.266 4.513 2.286 1.00 0.00 C ATOM 0 H MET A 19 56.543 2.613 -0.866 1.00 0.00 H new ATOM 0 HA MET A 19 55.473 3.553 1.762 1.00 0.00 H new ATOM 0 HB2 MET A 19 57.779 4.035 2.256 1.00 0.00 H new ATOM 0 HB3 MET A 19 57.714 2.396 1.639 1.00 0.00 H new ATOM 0 HG2 MET A 19 59.229 2.960 0.052 1.00 0.00 H new ATOM 0 HG3 MET A 19 58.056 4.055 -0.653 1.00 0.00 H new ATOM 0 HE1 MET A 19 60.309 5.281 3.058 1.00 0.00 H new ATOM 0 HE2 MET A 19 59.630 3.695 2.623 1.00 0.00 H new ATOM 0 HE3 MET A 19 61.270 4.136 2.093 1.00 0.00 H new ATOM 334 N GLU A 20 56.451 6.062 1.172 1.00 0.00 N ATOM 335 CA GLU A 20 56.358 7.470 0.792 1.00 0.00 C ATOM 336 C GLU A 20 57.762 8.108 0.857 1.00 0.00 C ATOM 337 O GLU A 20 58.538 7.802 1.729 1.00 0.00 O ATOM 338 CB GLU A 20 55.387 8.186 1.742 1.00 0.00 C ATOM 339 CG GLU A 20 54.544 9.254 1.026 1.00 0.00 C ATOM 340 CD GLU A 20 53.205 9.526 1.741 1.00 0.00 C ATOM 341 OE1 GLU A 20 53.119 9.326 2.953 1.00 0.00 O ATOM 342 OE2 GLU A 20 52.256 9.930 1.071 1.00 0.00 O ATOM 0 H GLU A 20 56.875 5.892 2.084 1.00 0.00 H new ATOM 0 HA GLU A 20 55.981 7.563 -0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 20 54.724 7.452 2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 20 55.951 8.654 2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 20 55.114 10.181 0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 20 54.347 8.932 0.003 1.00 0.00 H new ATOM 349 N PRO A 21 58.036 9.047 -0.117 1.00 0.00 N ATOM 350 CA PRO A 21 59.308 9.768 -0.112 1.00 0.00 C ATOM 351 C PRO A 21 59.563 10.655 1.116 1.00 0.00 C ATOM 352 O PRO A 21 60.643 11.203 1.277 1.00 0.00 O ATOM 353 CB PRO A 21 59.276 10.638 -1.381 1.00 0.00 C ATOM 354 CG PRO A 21 58.155 10.054 -2.236 1.00 0.00 C ATOM 355 CD PRO A 21 57.189 9.416 -1.242 1.00 0.00 C ATOM 0 HA PRO A 21 60.119 9.041 -0.080 1.00 0.00 H new ATOM 0 HB2 PRO A 21 59.083 11.683 -1.138 1.00 0.00 H new ATOM 0 HB3 PRO A 21 60.231 10.604 -1.906 1.00 0.00 H new ATOM 0 HG2 PRO A 21 57.662 10.829 -2.823 1.00 0.00 H new ATOM 0 HG3 PRO A 21 58.540 9.317 -2.941 1.00 0.00 H new ATOM 0 HD2 PRO A 21 56.407 10.113 -0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 21 56.692 8.545 -1.670 1.00 0.00 H new ATOM 363 N ASP A 22 58.529 10.776 1.973 1.00 0.00 N ATOM 364 CA ASP A 22 58.638 11.657 3.128 1.00 0.00 C ATOM 365 C ASP A 22 59.227 10.923 4.336 1.00 0.00 C ATOM 366 O ASP A 22 59.999 11.491 5.103 1.00 0.00 O ATOM 367 CB ASP A 22 57.247 12.224 3.460 1.00 0.00 C ATOM 368 CG ASP A 22 57.329 13.649 4.049 1.00 0.00 C ATOM 369 OD1 ASP A 22 58.114 14.458 3.551 1.00 0.00 O ATOM 370 OD2 ASP A 22 56.601 13.938 4.996 1.00 0.00 O ATOM 0 H ASP A 22 57.639 10.286 1.883 1.00 0.00 H new ATOM 0 HA ASP A 22 59.317 12.475 2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 22 56.637 12.239 2.557 1.00 0.00 H new ATOM 0 HB3 ASP A 22 56.747 11.566 4.171 1.00 0.00 H new ATOM 375 N GLU A 23 58.826 9.636 4.451 1.00 0.00 N ATOM 376 CA GLU A 23 59.253 8.803 5.571 1.00 0.00 C ATOM 377 C GLU A 23 60.780 8.720 5.633 1.00 0.00 C ATOM 378 O GLU A 23 61.475 9.035 4.675 1.00 0.00 O ATOM 379 CB GLU A 23 58.661 7.387 5.459 1.00 0.00 C ATOM 380 CG GLU A 23 57.180 7.345 5.035 1.00 0.00 C ATOM 381 CD GLU A 23 56.312 8.384 5.763 1.00 0.00 C ATOM 382 OE1 GLU A 23 56.365 8.441 6.991 1.00 0.00 O ATOM 383 OE2 GLU A 23 55.596 9.125 5.093 1.00 0.00 O ATOM 0 H GLU A 23 58.214 9.167 3.784 1.00 0.00 H new ATOM 0 HA GLU A 23 58.886 9.266 6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 23 59.248 6.817 4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 23 58.765 6.886 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 23 57.112 7.513 3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 23 56.782 6.349 5.228 1.00 0.00 H new ATOM 390 N THR A 24 61.247 8.291 6.823 1.00 0.00 N ATOM 391 CA THR A 24 62.682 8.234 7.058 1.00 0.00 C ATOM 392 C THR A 24 63.288 6.907 6.598 1.00 0.00 C ATOM 393 O THR A 24 64.357 6.552 7.070 1.00 0.00 O ATOM 394 CB THR A 24 63.039 8.558 8.524 1.00 0.00 C ATOM 395 OG1 THR A 24 61.930 8.388 9.367 1.00 0.00 O ATOM 396 CG2 THR A 24 63.589 9.978 8.671 1.00 0.00 C ATOM 0 H THR A 24 60.665 7.991 7.605 1.00 0.00 H new ATOM 0 HA THR A 24 63.134 9.013 6.444 1.00 0.00 H new ATOM 0 HB THR A 24 63.818 7.856 8.822 1.00 0.00 H new ATOM 0 HG1 THR A 24 62.185 8.598 10.290 1.00 0.00 H new ATOM 0 HG21 THR A 24 63.829 10.169 9.717 1.00 0.00 H new ATOM 0 HG22 THR A 24 64.490 10.083 8.067 1.00 0.00 H new ATOM 0 HG23 THR A 24 62.840 10.695 8.334 1.00 0.00 H new ATOM 404 N VAL A 25 62.629 6.196 5.662 1.00 0.00 N ATOM 405 CA VAL A 25 63.191 4.942 5.146 1.00 0.00 C ATOM 406 C VAL A 25 62.985 3.784 6.145 1.00 0.00 C ATOM 407 O VAL A 25 62.889 2.641 5.742 1.00 0.00 O ATOM 408 CB VAL A 25 64.694 5.021 4.742 1.00 0.00 C ATOM 409 CG1 VAL A 25 65.200 3.738 4.056 1.00 0.00 C ATOM 410 CG2 VAL A 25 65.045 6.261 3.906 1.00 0.00 C ATOM 0 H VAL A 25 61.731 6.463 5.259 1.00 0.00 H new ATOM 0 HA VAL A 25 62.635 4.750 4.228 1.00 0.00 H new ATOM 0 HB VAL A 25 65.223 5.120 5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 25 66.253 3.854 3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 25 65.083 2.893 4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 25 64.622 3.558 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 25 66.107 6.247 3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 25 64.462 6.256 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 25 64.815 7.161 4.476 1.00 0.00 H new ATOM 420 N LYS A 26 62.918 4.096 7.457 1.00 0.00 N ATOM 421 CA LYS A 26 62.720 3.045 8.449 1.00 0.00 C ATOM 422 C LYS A 26 61.489 2.188 8.160 1.00 0.00 C ATOM 423 O LYS A 26 61.512 0.970 8.278 1.00 0.00 O ATOM 424 CB LYS A 26 62.566 3.642 9.844 1.00 0.00 C ATOM 425 CG LYS A 26 62.438 2.587 10.949 1.00 0.00 C ATOM 426 CD LYS A 26 61.964 3.241 12.244 1.00 0.00 C ATOM 427 CE LYS A 26 63.119 3.620 13.173 1.00 0.00 C ATOM 428 NZ LYS A 26 62.838 4.829 13.933 1.00 0.00 N ATOM 0 H LYS A 26 62.996 5.040 7.835 1.00 0.00 H new ATOM 0 HA LYS A 26 63.606 2.412 8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 26 63.426 4.277 10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 26 61.685 4.283 9.861 1.00 0.00 H new ATOM 0 HG2 LYS A 26 61.734 1.813 10.644 1.00 0.00 H new ATOM 0 HG3 LYS A 26 63.399 2.098 11.109 1.00 0.00 H new ATOM 0 HD2 LYS A 26 61.388 4.135 12.005 1.00 0.00 H new ATOM 0 HD3 LYS A 26 61.293 2.559 12.766 1.00 0.00 H new ATOM 0 HE2 LYS A 26 63.315 2.798 13.861 1.00 0.00 H new ATOM 0 HE3 LYS A 26 64.024 3.765 12.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 63.647 5.048 14.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 62.677 5.621 13.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 61.989 4.683 14.516 1.00 0.00 H new ATOM 442 N VAL A 27 60.424 2.902 7.773 1.00 0.00 N ATOM 443 CA VAL A 27 59.190 2.231 7.400 1.00 0.00 C ATOM 444 C VAL A 27 59.431 1.221 6.273 1.00 0.00 C ATOM 445 O VAL A 27 58.905 0.125 6.294 1.00 0.00 O ATOM 446 CB VAL A 27 58.157 3.273 6.964 1.00 0.00 C ATOM 447 CG1 VAL A 27 57.651 4.084 8.169 1.00 0.00 C ATOM 448 CG2 VAL A 27 58.708 4.193 5.866 1.00 0.00 C ATOM 0 H VAL A 27 60.398 3.920 7.713 1.00 0.00 H new ATOM 0 HA VAL A 27 58.815 1.684 8.265 1.00 0.00 H new ATOM 0 HB VAL A 27 57.309 2.736 6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.918 4.817 7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.187 3.412 8.891 1.00 0.00 H new ATOM 0 HG13 VAL A 27 58.489 4.598 8.639 1.00 0.00 H new ATOM 0 HG21 VAL A 27 57.946 4.919 5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 27 59.588 4.717 6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 27 58.982 3.597 4.996 1.00 0.00 H new ATOM 458 N LEU A 28 60.279 1.642 5.316 1.00 0.00 N ATOM 459 CA LEU A 28 60.610 0.806 4.178 1.00 0.00 C ATOM 460 C LEU A 28 61.283 -0.469 4.616 1.00 0.00 C ATOM 461 O LEU A 28 61.042 -1.541 4.080 1.00 0.00 O ATOM 462 CB LEU A 28 61.613 1.532 3.294 1.00 0.00 C ATOM 463 CG LEU A 28 61.980 0.793 2.031 1.00 0.00 C ATOM 464 CD1 LEU A 28 60.770 0.548 1.159 1.00 0.00 C ATOM 465 CD2 LEU A 28 63.082 1.497 1.258 1.00 0.00 C ATOM 0 H LEU A 28 60.738 2.553 5.320 1.00 0.00 H new ATOM 0 HA LEU A 28 59.680 0.586 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 28 61.204 2.506 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 28 62.520 1.716 3.870 1.00 0.00 H new ATOM 0 HG LEU A 28 62.371 -0.178 2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 28 61.073 0.014 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 28 60.041 -0.049 1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 28 60.322 1.502 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 28 63.314 0.930 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 28 62.750 2.498 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 28 63.974 1.569 1.880 1.00 0.00 H new ATOM 477 N LYS A 29 62.151 -0.269 5.621 1.00 0.00 N ATOM 478 CA LYS A 29 62.846 -1.387 6.197 1.00 0.00 C ATOM 479 C LYS A 29 61.813 -2.428 6.661 1.00 0.00 C ATOM 480 O LYS A 29 61.974 -3.609 6.426 1.00 0.00 O ATOM 481 CB LYS A 29 63.733 -0.898 7.341 1.00 0.00 C ATOM 482 CG LYS A 29 64.706 0.240 7.002 1.00 0.00 C ATOM 483 CD LYS A 29 66.138 -0.233 6.847 1.00 0.00 C ATOM 484 CE LYS A 29 67.199 0.841 7.115 1.00 0.00 C ATOM 485 NZ LYS A 29 67.961 0.604 8.341 1.00 0.00 N ATOM 0 H LYS A 29 62.372 0.639 6.030 1.00 0.00 H new ATOM 0 HA LYS A 29 63.496 -1.863 5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 29 63.090 -0.568 8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 29 64.311 -1.744 7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 29 64.386 0.721 6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 29 64.661 0.995 7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 29 66.306 -1.068 7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 29 66.273 -0.614 5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 29 67.886 0.883 6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 29 66.713 1.815 7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 68.016 1.485 8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 67.488 -0.129 8.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 68.921 0.288 8.097 1.00 0.00 H new ATOM 499 N GLU A 30 60.727 -1.915 7.286 1.00 0.00 N ATOM 500 CA GLU A 30 59.677 -2.796 7.791 1.00 0.00 C ATOM 501 C GLU A 30 59.013 -3.623 6.676 1.00 0.00 C ATOM 502 O GLU A 30 58.688 -4.788 6.870 1.00 0.00 O ATOM 503 CB GLU A 30 58.614 -1.992 8.553 1.00 0.00 C ATOM 504 CG GLU A 30 59.208 -1.180 9.716 1.00 0.00 C ATOM 505 CD GLU A 30 58.182 -0.956 10.844 1.00 0.00 C ATOM 506 OE1 GLU A 30 57.012 -0.714 10.547 1.00 0.00 O ATOM 507 OE2 GLU A 30 58.566 -1.034 12.011 1.00 0.00 O ATOM 0 H GLU A 30 60.567 -0.920 7.444 1.00 0.00 H new ATOM 0 HA GLU A 30 60.158 -3.497 8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 30 58.111 -1.316 7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 30 57.857 -2.674 8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 30 60.078 -1.701 10.115 1.00 0.00 H new ATOM 0 HG3 GLU A 30 59.556 -0.216 9.345 1.00 0.00 H new ATOM 514 N LYS A 31 58.838 -2.962 5.515 1.00 0.00 N ATOM 515 CA LYS A 31 58.167 -3.585 4.378 1.00 0.00 C ATOM 516 C LYS A 31 59.049 -4.641 3.702 1.00 0.00 C ATOM 517 O LYS A 31 58.655 -5.788 3.553 1.00 0.00 O ATOM 518 CB LYS A 31 57.803 -2.522 3.344 1.00 0.00 C ATOM 519 CG LYS A 31 56.433 -1.878 3.566 1.00 0.00 C ATOM 520 CD LYS A 31 56.379 -0.949 4.780 1.00 0.00 C ATOM 521 CE LYS A 31 56.165 0.525 4.422 1.00 0.00 C ATOM 522 NZ LYS A 31 55.076 0.703 3.469 1.00 0.00 N ATOM 0 H LYS A 31 59.152 -2.006 5.349 1.00 0.00 H new ATOM 0 HA LYS A 31 57.271 -4.073 4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 31 58.565 -1.743 3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 31 57.824 -2.973 2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 31 56.158 -1.313 2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 31 55.688 -2.664 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 31 55.574 -1.274 5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 31 57.308 -1.046 5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 31 55.950 1.091 5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 31 57.084 0.933 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 54.595 1.606 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 55.458 0.708 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 54.397 -0.078 3.568 1.00 0.00 H new ATOM 536 N ILE A 32 60.246 -4.186 3.285 1.00 0.00 N ATOM 537 CA ILE A 32 61.225 -5.061 2.645 1.00 0.00 C ATOM 538 C ILE A 32 61.559 -6.269 3.527 1.00 0.00 C ATOM 539 O ILE A 32 61.718 -7.385 3.050 1.00 0.00 O ATOM 540 CB ILE A 32 62.503 -4.260 2.348 1.00 0.00 C ATOM 541 CG1 ILE A 32 62.256 -3.276 1.212 1.00 0.00 C ATOM 542 CG2 ILE A 32 63.683 -5.169 2.005 1.00 0.00 C ATOM 543 CD1 ILE A 32 63.253 -2.126 1.186 1.00 0.00 C ATOM 0 H ILE A 32 60.550 -3.217 3.383 1.00 0.00 H new ATOM 0 HA ILE A 32 60.796 -5.437 1.716 1.00 0.00 H new ATOM 0 HB ILE A 32 62.761 -3.712 3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 32 62.301 -3.809 0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 32 61.248 -2.872 1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 32 64.564 -4.560 1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 32 63.886 -5.834 2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 32 63.441 -5.762 1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 32 63.021 -1.462 0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 32 63.192 -1.570 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 32 64.261 -2.521 1.065 1.00 0.00 H new ATOM 555 N GLU A 33 61.666 -5.967 4.832 1.00 0.00 N ATOM 556 CA GLU A 33 61.948 -7.008 5.802 1.00 0.00 C ATOM 557 C GLU A 33 60.737 -7.941 5.954 1.00 0.00 C ATOM 558 O GLU A 33 60.874 -9.121 6.210 1.00 0.00 O ATOM 559 CB GLU A 33 62.261 -6.386 7.165 1.00 0.00 C ATOM 560 CG GLU A 33 62.960 -7.369 8.104 1.00 0.00 C ATOM 561 CD GLU A 33 62.470 -7.340 9.552 1.00 0.00 C ATOM 562 OE1 GLU A 33 62.147 -6.275 10.060 1.00 0.00 O ATOM 563 OE2 GLU A 33 62.414 -8.398 10.166 1.00 0.00 O ATOM 0 H GLU A 33 61.562 -5.030 5.221 1.00 0.00 H new ATOM 0 HA GLU A 33 62.807 -7.578 5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 33 62.893 -5.509 7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.335 -6.042 7.626 1.00 0.00 H new ATOM 0 HG2 GLU A 33 62.829 -8.378 7.712 1.00 0.00 H new ATOM 0 HG3 GLU A 33 64.030 -7.159 8.094 1.00 0.00 H new ATOM 570 N ALA A 34 59.540 -7.351 5.778 1.00 0.00 N ATOM 571 CA ALA A 34 58.322 -8.154 5.831 1.00 0.00 C ATOM 572 C ALA A 34 58.178 -9.058 4.597 1.00 0.00 C ATOM 573 O ALA A 34 57.542 -10.106 4.648 1.00 0.00 O ATOM 574 CB ALA A 34 57.105 -7.234 5.956 1.00 0.00 C ATOM 0 H ALA A 34 59.399 -6.356 5.604 1.00 0.00 H new ATOM 0 HA ALA A 34 58.385 -8.803 6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 34 56.197 -7.835 5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 34 57.188 -6.642 6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 34 57.062 -6.568 5.094 1.00 0.00 H new ATOM 580 N GLU A 35 58.809 -8.604 3.500 1.00 0.00 N ATOM 581 CA GLU A 35 58.781 -9.365 2.268 1.00 0.00 C ATOM 582 C GLU A 35 59.712 -10.578 2.393 1.00 0.00 C ATOM 583 O GLU A 35 59.347 -11.692 2.030 1.00 0.00 O ATOM 584 CB GLU A 35 59.204 -8.435 1.134 1.00 0.00 C ATOM 585 CG GLU A 35 59.553 -9.183 -0.163 1.00 0.00 C ATOM 586 CD GLU A 35 60.505 -8.402 -1.038 1.00 0.00 C ATOM 587 OE1 GLU A 35 60.897 -7.295 -0.668 1.00 0.00 O ATOM 588 OE2 GLU A 35 60.852 -8.946 -2.081 1.00 0.00 O ATOM 0 H GLU A 35 59.332 -7.729 3.454 1.00 0.00 H new ATOM 0 HA GLU A 35 57.781 -9.746 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 35 58.399 -7.728 0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 35 60.068 -7.852 1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 35 59.998 -10.146 0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 35 58.638 -9.388 -0.719 1.00 0.00 H new ATOM 595 N LYS A 36 60.930 -10.289 2.894 1.00 0.00 N ATOM 596 CA LYS A 36 61.952 -11.321 2.967 1.00 0.00 C ATOM 597 C LYS A 36 62.024 -11.926 4.372 1.00 0.00 C ATOM 598 O LYS A 36 61.739 -13.098 4.575 1.00 0.00 O ATOM 599 CB LYS A 36 63.293 -10.743 2.516 1.00 0.00 C ATOM 600 CG LYS A 36 63.904 -11.534 1.345 1.00 0.00 C ATOM 601 CD LYS A 36 63.924 -13.056 1.496 1.00 0.00 C ATOM 602 CE LYS A 36 64.869 -13.680 0.469 1.00 0.00 C ATOM 603 NZ LYS A 36 64.381 -13.472 -0.887 1.00 0.00 N ATOM 0 H LYS A 36 61.213 -9.373 3.242 1.00 0.00 H new ATOM 0 HA LYS A 36 61.691 -12.137 2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 36 63.157 -9.703 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 36 63.988 -10.745 3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 36 63.351 -11.287 0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 36 64.928 -11.191 1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 36 64.243 -13.324 2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 36 62.918 -13.454 1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 36 65.862 -13.244 0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 36 64.968 -14.748 0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 64.284 -14.390 -1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 63.455 -12.999 -0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 65.055 -12.878 -1.411 1.00 0.00 H new ATOM 617 N GLY A 37 62.429 -11.051 5.313 1.00 0.00 N ATOM 618 CA GLY A 37 62.506 -11.428 6.717 1.00 0.00 C ATOM 619 C GLY A 37 63.682 -10.713 7.373 1.00 0.00 C ATOM 620 O GLY A 37 64.439 -9.993 6.738 1.00 0.00 O ATOM 0 H GLY A 37 62.704 -10.088 5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 37 61.578 -11.167 7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 37 62.626 -12.507 6.808 1.00 0.00 H new ATOM 624 N ARG A 38 63.775 -10.971 8.694 1.00 0.00 N ATOM 625 CA ARG A 38 64.876 -10.437 9.495 1.00 0.00 C ATOM 626 C ARG A 38 66.205 -11.162 9.196 1.00 0.00 C ATOM 627 O ARG A 38 67.259 -10.762 9.671 1.00 0.00 O ATOM 628 CB ARG A 38 64.568 -10.553 10.999 1.00 0.00 C ATOM 629 CG ARG A 38 63.861 -11.856 11.384 1.00 0.00 C ATOM 630 CD ARG A 38 63.759 -12.011 12.902 1.00 0.00 C ATOM 631 NE ARG A 38 64.088 -13.380 13.271 1.00 0.00 N ATOM 632 CZ ARG A 38 63.694 -13.930 14.439 1.00 0.00 C ATOM 633 NH1 ARG A 38 62.950 -13.245 15.303 1.00 0.00 N ATOM 634 NH2 ARG A 38 64.059 -15.174 14.725 1.00 0.00 N ATOM 0 H ARG A 38 63.107 -11.539 9.215 1.00 0.00 H new ATOM 0 HA ARG A 38 64.982 -9.387 9.223 1.00 0.00 H new ATOM 0 HB2 ARG A 38 65.500 -10.477 11.559 1.00 0.00 H new ATOM 0 HB3 ARG A 38 63.946 -9.710 11.300 1.00 0.00 H new ATOM 0 HG2 ARG A 38 62.862 -11.872 10.948 1.00 0.00 H new ATOM 0 HG3 ARG A 38 64.405 -12.703 10.966 1.00 0.00 H new ATOM 0 HD2 ARG A 38 64.438 -11.316 13.396 1.00 0.00 H new ATOM 0 HD3 ARG A 38 62.751 -11.764 13.237 1.00 0.00 H new ATOM 0 HE ARG A 38 64.637 -13.945 12.623 1.00 0.00 H new ATOM 0 HH11 ARG A 38 62.668 -12.289 15.087 1.00 0.00 H new ATOM 0 HH12 ARG A 38 62.661 -13.676 16.181 1.00 0.00 H new ATOM 0 HH21 ARG A 38 64.630 -15.702 14.066 1.00 0.00 H new ATOM 0 HH22 ARG A 38 63.768 -15.602 15.604 1.00 0.00 H new ATOM 648 N ASP A 39 66.106 -12.246 8.402 1.00 0.00 N ATOM 649 CA ASP A 39 67.292 -13.017 8.053 1.00 0.00 C ATOM 650 C ASP A 39 67.859 -12.543 6.717 1.00 0.00 C ATOM 651 O ASP A 39 69.068 -12.516 6.509 1.00 0.00 O ATOM 652 CB ASP A 39 66.922 -14.512 7.998 1.00 0.00 C ATOM 653 CG ASP A 39 67.818 -15.327 8.947 1.00 0.00 C ATOM 654 OD1 ASP A 39 67.750 -15.102 10.156 1.00 0.00 O ATOM 655 OD2 ASP A 39 68.575 -16.171 8.469 1.00 0.00 O ATOM 0 H ASP A 39 65.234 -12.593 8.003 1.00 0.00 H new ATOM 0 HA ASP A 39 68.062 -12.870 8.810 1.00 0.00 H new ATOM 0 HB2 ASP A 39 65.876 -14.644 8.274 1.00 0.00 H new ATOM 0 HB3 ASP A 39 67.031 -14.882 6.979 1.00 0.00 H new ATOM 660 N ALA A 40 66.917 -12.175 5.831 1.00 0.00 N ATOM 661 CA ALA A 40 67.324 -11.730 4.513 1.00 0.00 C ATOM 662 C ALA A 40 67.758 -10.265 4.578 1.00 0.00 C ATOM 663 O ALA A 40 68.895 -9.936 4.265 1.00 0.00 O ATOM 664 CB ALA A 40 66.185 -11.950 3.533 1.00 0.00 C ATOM 0 H ALA A 40 65.912 -12.180 6.004 1.00 0.00 H new ATOM 0 HA ALA A 40 68.178 -12.309 4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.489 -11.616 2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 40 65.935 -13.010 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 40 65.313 -11.382 3.856 1.00 0.00 H new ATOM 670 N PHE A 41 66.784 -9.420 4.989 1.00 0.00 N ATOM 671 CA PHE A 41 67.027 -7.987 5.067 1.00 0.00 C ATOM 672 C PHE A 41 66.419 -7.460 6.385 1.00 0.00 C ATOM 673 O PHE A 41 65.368 -6.892 6.384 1.00 0.00 O ATOM 674 CB PHE A 41 66.392 -7.221 3.885 1.00 0.00 C ATOM 675 CG PHE A 41 66.449 -7.943 2.585 1.00 0.00 C ATOM 676 CD1 PHE A 41 67.654 -8.389 2.065 1.00 0.00 C ATOM 677 CD2 PHE A 41 65.273 -8.184 1.896 1.00 0.00 C ATOM 678 CE1 PHE A 41 67.676 -9.135 0.903 1.00 0.00 C ATOM 679 CE2 PHE A 41 65.298 -8.900 0.723 1.00 0.00 C ATOM 680 CZ PHE A 41 66.491 -9.394 0.230 1.00 0.00 C ATOM 0 H PHE A 41 65.846 -9.711 5.264 1.00 0.00 H new ATOM 0 HA PHE A 41 68.104 -7.824 5.028 1.00 0.00 H new ATOM 0 HB2 PHE A 41 65.350 -7.008 4.123 1.00 0.00 H new ATOM 0 HB3 PHE A 41 66.897 -6.261 3.776 1.00 0.00 H new ATOM 0 HD1 PHE A 41 68.579 -8.152 2.570 1.00 0.00 H new ATOM 0 HD2 PHE A 41 64.336 -7.809 2.280 1.00 0.00 H new ATOM 0 HE1 PHE A 41 68.612 -9.515 0.520 1.00 0.00 H new ATOM 0 HE2 PHE A 41 64.380 -9.078 0.183 1.00 0.00 H new ATOM 0 HZ PHE A 41 66.501 -9.980 -0.677 1.00 0.00 H new ATOM 690 N PRO A 42 67.167 -7.676 7.520 1.00 0.00 N ATOM 691 CA PRO A 42 66.759 -7.117 8.812 1.00 0.00 C ATOM 692 C PRO A 42 66.909 -5.608 8.788 1.00 0.00 C ATOM 693 O PRO A 42 67.974 -5.109 8.457 1.00 0.00 O ATOM 694 CB PRO A 42 67.755 -7.695 9.816 1.00 0.00 C ATOM 695 CG PRO A 42 68.973 -8.088 8.975 1.00 0.00 C ATOM 696 CD PRO A 42 68.421 -8.404 7.582 1.00 0.00 C ATOM 0 HA PRO A 42 65.723 -7.354 9.054 1.00 0.00 H new ATOM 0 HB2 PRO A 42 68.020 -6.962 10.578 1.00 0.00 H new ATOM 0 HB3 PRO A 42 67.338 -8.558 10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 42 69.701 -7.277 8.935 1.00 0.00 H new ATOM 0 HG3 PRO A 42 69.482 -8.952 9.401 1.00 0.00 H new ATOM 0 HD2 PRO A 42 69.108 -8.081 6.799 1.00 0.00 H new ATOM 0 HD3 PRO A 42 68.266 -9.475 7.449 1.00 0.00 H new ATOM 704 N VAL A 43 65.789 -4.921 9.136 1.00 0.00 N ATOM 705 CA VAL A 43 65.744 -3.458 9.172 1.00 0.00 C ATOM 706 C VAL A 43 67.005 -2.792 9.768 1.00 0.00 C ATOM 707 O VAL A 43 67.384 -1.697 9.406 1.00 0.00 O ATOM 708 CB VAL A 43 64.505 -2.953 9.937 1.00 0.00 C ATOM 709 CG1 VAL A 43 63.198 -3.333 9.241 1.00 0.00 C ATOM 710 CG2 VAL A 43 64.467 -3.393 11.406 1.00 0.00 C ATOM 0 H VAL A 43 64.910 -5.370 9.394 1.00 0.00 H new ATOM 0 HA VAL A 43 65.692 -3.164 8.124 1.00 0.00 H new ATOM 0 HB VAL A 43 64.600 -1.867 9.929 1.00 0.00 H new ATOM 0 HG11 VAL A 43 62.355 -2.955 9.819 1.00 0.00 H new ATOM 0 HG12 VAL A 43 63.178 -2.898 8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 43 63.128 -4.418 9.165 1.00 0.00 H new ATOM 0 HG21 VAL A 43 63.567 -3.001 11.880 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.460 -4.482 11.460 1.00 0.00 H new ATOM 0 HG23 VAL A 43 65.346 -3.010 11.923 1.00 0.00 H new ATOM 720 N ALA A 44 67.631 -3.534 10.699 1.00 0.00 N ATOM 721 CA ALA A 44 68.861 -3.082 11.317 1.00 0.00 C ATOM 722 C ALA A 44 69.948 -2.798 10.264 1.00 0.00 C ATOM 723 O ALA A 44 70.399 -1.665 10.116 1.00 0.00 O ATOM 724 CB ALA A 44 69.297 -4.153 12.317 1.00 0.00 C ATOM 0 H ALA A 44 67.298 -4.440 11.029 1.00 0.00 H new ATOM 0 HA ALA A 44 68.699 -2.138 11.837 1.00 0.00 H new ATOM 0 HB1 ALA A 44 70.223 -3.843 12.801 1.00 0.00 H new ATOM 0 HB2 ALA A 44 68.520 -4.285 13.070 1.00 0.00 H new ATOM 0 HB3 ALA A 44 69.459 -5.095 11.793 1.00 0.00 H new ATOM 730 N GLY A 45 70.325 -3.874 9.545 1.00 0.00 N ATOM 731 CA GLY A 45 71.366 -3.753 8.532 1.00 0.00 C ATOM 732 C GLY A 45 70.809 -3.559 7.119 1.00 0.00 C ATOM 733 O GLY A 45 71.516 -3.780 6.151 1.00 0.00 O ATOM 0 H GLY A 45 69.930 -4.809 9.650 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.011 -2.910 8.781 1.00 0.00 H new ATOM 0 HA3 GLY A 45 71.989 -4.647 8.551 1.00 0.00 H new ATOM 737 N GLN A 46 69.529 -3.135 7.034 1.00 0.00 N ATOM 738 CA GLN A 46 68.914 -2.933 5.727 1.00 0.00 C ATOM 739 C GLN A 46 69.329 -1.584 5.135 1.00 0.00 C ATOM 740 O GLN A 46 68.533 -0.675 5.019 1.00 0.00 O ATOM 741 CB GLN A 46 67.399 -2.987 5.854 1.00 0.00 C ATOM 742 CG GLN A 46 66.768 -4.362 5.709 1.00 0.00 C ATOM 743 CD GLN A 46 65.682 -4.302 4.641 1.00 0.00 C ATOM 744 OE1 GLN A 46 65.958 -4.004 3.489 1.00 0.00 O ATOM 745 NE2 GLN A 46 64.456 -4.597 5.085 1.00 0.00 N ATOM 0 H GLN A 46 68.927 -2.935 7.833 1.00 0.00 H new ATOM 0 HA GLN A 46 69.254 -3.727 5.062 1.00 0.00 H new ATOM 0 HB2 GLN A 46 67.121 -2.582 6.827 1.00 0.00 H new ATOM 0 HB3 GLN A 46 66.967 -2.329 5.100 1.00 0.00 H new ATOM 0 HG2 GLN A 46 67.525 -5.096 5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 46 66.343 -4.683 6.660 1.00 0.00 H new ATOM 0 HE21 GLN A 46 64.313 -4.836 6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 46 63.664 -4.583 4.443 1.00 0.00 H new ATOM 754 N LYS A 47 70.603 -1.501 4.738 1.00 0.00 N ATOM 755 CA LYS A 47 71.078 -0.279 4.116 1.00 0.00 C ATOM 756 C LYS A 47 70.620 -0.241 2.655 1.00 0.00 C ATOM 757 O LYS A 47 70.401 -1.265 2.037 1.00 0.00 O ATOM 758 CB LYS A 47 72.597 -0.268 4.192 1.00 0.00 C ATOM 759 CG LYS A 47 73.111 0.106 5.580 1.00 0.00 C ATOM 760 CD LYS A 47 74.621 0.379 5.573 1.00 0.00 C ATOM 761 CE LYS A 47 75.282 0.086 6.922 1.00 0.00 C ATOM 762 NZ LYS A 47 75.988 1.238 7.467 1.00 0.00 N ATOM 0 H LYS A 47 71.297 -2.242 4.835 1.00 0.00 H new ATOM 0 HA LYS A 47 70.676 0.595 4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 47 72.978 -1.252 3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 47 72.989 0.439 3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 47 72.583 0.990 5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 47 72.891 -0.701 6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 47 75.092 -0.231 4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 47 74.796 1.421 5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 47 74.521 -0.237 7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 47 75.982 -0.742 6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 76.416 0.983 8.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 76.734 1.533 6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 75.319 2.022 7.605 1.00 0.00 H new ATOM 776 N LEU A 48 70.479 1.012 2.167 1.00 0.00 N ATOM 777 CA LEU A 48 70.009 1.238 0.804 1.00 0.00 C ATOM 778 C LEU A 48 70.981 2.195 0.105 1.00 0.00 C ATOM 779 O LEU A 48 71.546 3.045 0.756 1.00 0.00 O ATOM 780 CB LEU A 48 68.585 1.790 0.841 1.00 0.00 C ATOM 781 CG LEU A 48 67.538 0.733 1.203 1.00 0.00 C ATOM 782 CD1 LEU A 48 67.432 0.575 2.725 1.00 0.00 C ATOM 783 CD2 LEU A 48 66.158 1.056 0.651 1.00 0.00 C ATOM 0 H LEU A 48 70.683 1.861 2.695 1.00 0.00 H new ATOM 0 HA LEU A 48 69.982 0.305 0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.536 2.603 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 48 68.341 2.215 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 48 67.878 -0.196 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.683 -0.181 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.397 0.267 3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 48 67.141 1.526 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.458 0.272 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.819 2.011 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 48 66.206 1.117 -0.436 1.00 0.00 H new ATOM 795 N ILE A 49 71.185 1.992 -1.232 1.00 0.00 N ATOM 796 CA ILE A 49 72.177 2.796 -1.966 1.00 0.00 C ATOM 797 C ILE A 49 71.558 3.505 -3.179 1.00 0.00 C ATOM 798 O ILE A 49 71.155 2.857 -4.133 1.00 0.00 O ATOM 799 CB ILE A 49 73.366 1.954 -2.497 1.00 0.00 C ATOM 800 CG1 ILE A 49 73.705 0.726 -1.646 1.00 0.00 C ATOM 801 CG2 ILE A 49 74.614 2.823 -2.718 1.00 0.00 C ATOM 802 CD1 ILE A 49 73.759 1.016 -0.158 1.00 0.00 C ATOM 0 H ILE A 49 70.689 1.301 -1.795 1.00 0.00 H new ATOM 0 HA ILE A 49 72.535 3.520 -1.234 1.00 0.00 H new ATOM 0 HB ILE A 49 73.027 1.563 -3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 49 72.962 -0.050 -1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 49 74.668 0.327 -1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 49 75.429 2.202 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.390 3.603 -3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 49 74.910 3.282 -1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 49 74.004 0.102 0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.522 1.769 0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 49 72.790 1.386 0.176 1.00 0.00 H new ATOM 814 N TYR A 50 71.518 4.858 -3.094 1.00 0.00 N ATOM 815 CA TYR A 50 70.928 5.659 -4.162 1.00 0.00 C ATOM 816 C TYR A 50 71.999 6.587 -4.717 1.00 0.00 C ATOM 817 O TYR A 50 72.519 7.432 -4.004 1.00 0.00 O ATOM 818 CB TYR A 50 69.768 6.506 -3.617 1.00 0.00 C ATOM 819 CG TYR A 50 68.797 6.863 -4.710 1.00 0.00 C ATOM 820 CD1 TYR A 50 67.777 5.991 -5.074 1.00 0.00 C ATOM 821 CD2 TYR A 50 68.892 8.082 -5.367 1.00 0.00 C ATOM 822 CE1 TYR A 50 66.858 6.331 -6.043 1.00 0.00 C ATOM 823 CE2 TYR A 50 67.963 8.434 -6.341 1.00 0.00 C ATOM 824 CZ TYR A 50 66.942 7.561 -6.671 1.00 0.00 C ATOM 825 OH TYR A 50 65.996 7.919 -7.605 1.00 0.00 O ATOM 0 H TYR A 50 71.883 5.396 -2.308 1.00 0.00 H new ATOM 0 HA TYR A 50 70.547 4.998 -4.941 1.00 0.00 H new ATOM 0 HB2 TYR A 50 69.250 5.956 -2.832 1.00 0.00 H new ATOM 0 HB3 TYR A 50 70.160 7.416 -3.163 1.00 0.00 H new ATOM 0 HD1 TYR A 50 67.704 5.029 -4.588 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.693 8.763 -5.120 1.00 0.00 H new ATOM 0 HE1 TYR A 50 66.074 5.639 -6.312 1.00 0.00 H new ATOM 0 HE2 TYR A 50 68.039 9.389 -6.840 1.00 0.00 H new ATOM 0 HH TYR A 50 65.426 8.627 -7.239 1.00 0.00 H new ATOM 835 N ALA A 51 72.284 6.385 -6.023 1.00 0.00 N ATOM 836 CA ALA A 51 73.267 7.215 -6.718 1.00 0.00 C ATOM 837 C ALA A 51 74.686 7.009 -6.147 1.00 0.00 C ATOM 838 O ALA A 51 75.497 7.928 -6.110 1.00 0.00 O ATOM 839 CB ALA A 51 72.846 8.702 -6.711 1.00 0.00 C ATOM 0 H ALA A 51 71.850 5.665 -6.600 1.00 0.00 H new ATOM 0 HA ALA A 51 73.298 6.895 -7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 51 73.596 9.295 -7.235 1.00 0.00 H new ATOM 0 HB2 ALA A 51 71.884 8.810 -7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 51 72.761 9.051 -5.682 1.00 0.00 H new ATOM 845 N GLY A 52 74.934 5.759 -5.693 1.00 0.00 N ATOM 846 CA GLY A 52 76.230 5.437 -5.103 1.00 0.00 C ATOM 847 C GLY A 52 76.330 5.811 -3.608 1.00 0.00 C ATOM 848 O GLY A 52 77.245 5.379 -2.918 1.00 0.00 O ATOM 0 H GLY A 52 74.269 4.986 -5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 52 76.418 4.369 -5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 52 77.012 5.959 -5.654 1.00 0.00 H new ATOM 852 N LYS A 53 75.350 6.626 -3.153 1.00 0.00 N ATOM 853 CA LYS A 53 75.293 7.082 -1.763 1.00 0.00 C ATOM 854 C LYS A 53 74.524 6.046 -0.937 1.00 0.00 C ATOM 855 O LYS A 53 73.869 5.216 -1.492 1.00 0.00 O ATOM 856 CB LYS A 53 74.550 8.426 -1.713 1.00 0.00 C ATOM 857 CG LYS A 53 75.475 9.595 -1.371 1.00 0.00 C ATOM 858 CD LYS A 53 74.994 10.373 -0.144 1.00 0.00 C ATOM 859 CE LYS A 53 73.826 11.308 -0.474 1.00 0.00 C ATOM 860 NZ LYS A 53 73.784 12.458 0.417 1.00 0.00 N ATOM 0 H LYS A 53 74.591 6.977 -3.737 1.00 0.00 H new ATOM 0 HA LYS A 53 76.299 7.202 -1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 53 74.077 8.612 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 53 73.753 8.369 -0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 53 76.481 9.218 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 53 75.537 10.269 -2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 53 74.688 9.671 0.632 1.00 0.00 H new ATOM 0 HD3 LYS A 53 75.821 10.956 0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 53 73.915 11.650 -1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 53 72.888 10.757 -0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 72.980 13.066 0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 73.674 12.133 1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 74.668 12.998 0.329 1.00 0.00 H new ATOM 874 N ILE A 54 74.642 6.176 0.415 1.00 0.00 N ATOM 875 CA ILE A 54 73.974 5.245 1.340 1.00 0.00 C ATOM 876 C ILE A 54 72.899 6.016 2.113 1.00 0.00 C ATOM 877 O ILE A 54 72.988 7.200 2.280 1.00 0.00 O ATOM 878 CB ILE A 54 75.010 4.644 2.323 1.00 0.00 C ATOM 879 CG1 ILE A 54 75.317 3.185 1.959 1.00 0.00 C ATOM 880 CG2 ILE A 54 74.655 4.776 3.827 1.00 0.00 C ATOM 881 CD1 ILE A 54 74.263 2.215 2.494 1.00 0.00 C ATOM 0 H ILE A 54 75.187 6.907 0.872 1.00 0.00 H new ATOM 0 HA ILE A 54 73.515 4.429 0.782 1.00 0.00 H new ATOM 0 HB ILE A 54 75.903 5.256 2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 54 75.378 3.089 0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 54 76.294 2.912 2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 54 75.444 4.324 4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 54 74.559 5.830 4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 54 73.712 4.267 4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 54 74.528 1.197 2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 54 74.220 2.288 3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 54 73.289 2.468 2.074 1.00 0.00 H new ATOM 893 N LEU A 55 71.920 5.206 2.604 1.00 0.00 N ATOM 894 CA LEU A 55 70.786 5.719 3.360 1.00 0.00 C ATOM 895 C LEU A 55 70.378 4.670 4.415 1.00 0.00 C ATOM 896 O LEU A 55 70.304 3.486 4.148 1.00 0.00 O ATOM 897 CB LEU A 55 69.601 6.003 2.422 1.00 0.00 C ATOM 898 CG LEU A 55 69.421 5.029 1.262 1.00 0.00 C ATOM 899 CD1 LEU A 55 67.948 4.970 0.873 1.00 0.00 C ATOM 900 CD2 LEU A 55 70.251 5.381 0.013 1.00 0.00 C ATOM 0 H LEU A 55 71.911 4.194 2.479 1.00 0.00 H new ATOM 0 HA LEU A 55 71.068 6.651 3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.686 6.005 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.719 7.007 2.013 1.00 0.00 H new ATOM 0 HG LEU A 55 69.781 4.064 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 55 67.818 4.274 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.360 4.632 1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.612 5.962 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 55 70.068 4.641 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 55 69.963 6.368 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 55 71.311 5.383 0.269 1.00 0.00 H new ATOM 912 N SER A 56 70.116 5.222 5.628 1.00 0.00 N ATOM 913 CA SER A 56 69.686 4.428 6.782 1.00 0.00 C ATOM 914 C SER A 56 68.201 4.710 7.081 1.00 0.00 C ATOM 915 O SER A 56 67.571 5.568 6.496 1.00 0.00 O ATOM 916 CB SER A 56 70.592 4.761 7.984 1.00 0.00 C ATOM 917 OG SER A 56 70.060 4.332 9.215 1.00 0.00 O ATOM 0 H SER A 56 70.199 6.220 5.821 1.00 0.00 H new ATOM 0 HA SER A 56 69.780 3.363 6.571 1.00 0.00 H new ATOM 0 HB2 SER A 56 71.567 4.297 7.835 1.00 0.00 H new ATOM 0 HB3 SER A 56 70.754 5.838 8.021 1.00 0.00 H new ATOM 0 HG SER A 56 70.677 4.568 9.938 1.00 0.00 H new ATOM 923 N ASP A 57 67.693 3.919 8.051 1.00 0.00 N ATOM 924 CA ASP A 57 66.313 4.032 8.509 1.00 0.00 C ATOM 925 C ASP A 57 65.972 5.407 9.126 1.00 0.00 C ATOM 926 O ASP A 57 64.810 5.722 9.319 1.00 0.00 O ATOM 927 CB ASP A 57 66.027 2.932 9.552 1.00 0.00 C ATOM 928 CG ASP A 57 66.826 3.091 10.852 1.00 0.00 C ATOM 929 OD1 ASP A 57 66.413 3.883 11.698 1.00 0.00 O ATOM 930 OD2 ASP A 57 67.842 2.419 11.009 1.00 0.00 O ATOM 0 H ASP A 57 68.231 3.195 8.527 1.00 0.00 H new ATOM 0 HA ASP A 57 65.686 3.917 7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 57 64.963 2.935 9.788 1.00 0.00 H new ATOM 0 HB3 ASP A 57 66.254 1.960 9.113 1.00 0.00 H new ATOM 935 N ASP A 58 67.009 6.201 9.453 1.00 0.00 N ATOM 936 CA ASP A 58 66.752 7.506 10.062 1.00 0.00 C ATOM 937 C ASP A 58 66.782 8.641 9.027 1.00 0.00 C ATOM 938 O ASP A 58 66.420 9.764 9.348 1.00 0.00 O ATOM 939 CB ASP A 58 67.792 7.770 11.167 1.00 0.00 C ATOM 940 CG ASP A 58 67.154 7.674 12.566 1.00 0.00 C ATOM 941 OD1 ASP A 58 66.761 6.578 12.964 1.00 0.00 O ATOM 942 OD2 ASP A 58 67.051 8.700 13.240 1.00 0.00 O ATOM 0 H ASP A 58 67.992 5.970 9.311 1.00 0.00 H new ATOM 0 HA ASP A 58 65.750 7.485 10.491 1.00 0.00 H new ATOM 0 HB2 ASP A 58 68.605 7.049 11.085 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.229 8.759 11.030 1.00 0.00 H new ATOM 947 N VAL A 59 67.239 8.308 7.798 1.00 0.00 N ATOM 948 CA VAL A 59 67.385 9.340 6.766 1.00 0.00 C ATOM 949 C VAL A 59 66.071 9.386 5.941 1.00 0.00 C ATOM 950 O VAL A 59 65.425 8.424 5.808 1.00 0.00 O ATOM 951 CB VAL A 59 68.566 9.018 5.834 1.00 0.00 C ATOM 952 CG1 VAL A 59 69.754 8.429 6.601 1.00 0.00 C ATOM 953 CG2 VAL A 59 68.204 8.100 4.660 1.00 0.00 C ATOM 0 H VAL A 59 67.503 7.366 7.510 1.00 0.00 H new ATOM 0 HA VAL A 59 67.580 10.303 7.239 1.00 0.00 H new ATOM 0 HB VAL A 59 68.850 9.981 5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 59 70.566 8.216 5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 59 70.095 9.145 7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 59 69.447 7.507 7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 59 69.090 7.921 4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 59 67.829 7.151 5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 59 67.435 8.575 4.051 1.00 0.00 H new ATOM 963 N PRO A 60 65.761 10.594 5.354 1.00 0.00 N ATOM 964 CA PRO A 60 64.547 10.738 4.543 1.00 0.00 C ATOM 965 C PRO A 60 64.737 10.160 3.134 1.00 0.00 C ATOM 966 O PRO A 60 65.774 10.337 2.521 1.00 0.00 O ATOM 967 CB PRO A 60 64.314 12.256 4.490 1.00 0.00 C ATOM 968 CG PRO A 60 65.485 12.894 5.251 1.00 0.00 C ATOM 969 CD PRO A 60 66.538 11.804 5.418 1.00 0.00 C ATOM 0 HA PRO A 60 63.701 10.195 4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 60 64.280 12.609 3.459 1.00 0.00 H new ATOM 0 HB3 PRO A 60 63.361 12.520 4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.889 13.743 4.700 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.159 13.270 6.221 1.00 0.00 H new ATOM 0 HD2 PRO A 60 67.289 11.844 4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 60 67.067 11.895 6.367 1.00 0.00 H new ATOM 977 N ILE A 61 63.687 9.459 2.655 1.00 0.00 N ATOM 978 CA ILE A 61 63.698 8.944 1.283 1.00 0.00 C ATOM 979 C ILE A 61 63.812 10.089 0.259 1.00 0.00 C ATOM 980 O ILE A 61 64.401 9.951 -0.804 1.00 0.00 O ATOM 981 CB ILE A 61 62.409 8.147 1.042 1.00 0.00 C ATOM 982 CG1 ILE A 61 62.357 6.913 1.943 1.00 0.00 C ATOM 983 CG2 ILE A 61 62.222 7.749 -0.430 1.00 0.00 C ATOM 984 CD1 ILE A 61 63.062 5.680 1.350 1.00 0.00 C ATOM 0 H ILE A 61 62.844 9.244 3.188 1.00 0.00 H new ATOM 0 HA ILE A 61 64.566 8.298 1.155 1.00 0.00 H new ATOM 0 HB ILE A 61 61.581 8.808 1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.815 7.155 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.315 6.663 2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.294 7.188 -0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 61 62.179 8.647 -1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 61 63.061 7.130 -0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 61 62.983 4.845 2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.590 5.410 0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.113 5.910 1.178 1.00 0.00 H new ATOM 996 N ARG A 62 63.222 11.232 0.641 1.00 0.00 N ATOM 997 CA ARG A 62 63.247 12.394 -0.231 1.00 0.00 C ATOM 998 C ARG A 62 64.680 12.925 -0.378 1.00 0.00 C ATOM 999 O ARG A 62 65.041 13.481 -1.410 1.00 0.00 O ATOM 1000 CB ARG A 62 62.270 13.454 0.306 1.00 0.00 C ATOM 1001 CG ARG A 62 62.729 14.914 0.130 1.00 0.00 C ATOM 1002 CD ARG A 62 61.579 15.888 -0.100 1.00 0.00 C ATOM 1003 NE ARG A 62 61.935 16.768 -1.208 1.00 0.00 N ATOM 1004 CZ ARG A 62 61.011 17.500 -1.860 1.00 0.00 C ATOM 1005 NH1 ARG A 62 59.733 17.452 -1.499 1.00 0.00 N ATOM 1006 NH2 ARG A 62 61.385 18.272 -2.875 1.00 0.00 N ATOM 0 H ARG A 62 62.735 11.366 1.527 1.00 0.00 H new ATOM 0 HA ARG A 62 62.917 12.118 -1.233 1.00 0.00 H new ATOM 0 HB2 ARG A 62 61.310 13.328 -0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 62 62.103 13.267 1.367 1.00 0.00 H new ATOM 0 HG2 ARG A 62 63.284 15.222 1.016 1.00 0.00 H new ATOM 0 HG3 ARG A 62 63.418 14.971 -0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 62 60.662 15.345 -0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 62 61.390 16.471 0.801 1.00 0.00 H new ATOM 0 HE ARG A 62 62.911 16.831 -1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 62 59.444 16.857 -0.722 1.00 0.00 H new ATOM 0 HH12 ARG A 62 59.041 18.010 -1.999 1.00 0.00 H new ATOM 0 HH21 ARG A 62 62.365 18.307 -3.155 1.00 0.00 H new ATOM 0 HH22 ARG A 62 60.692 18.829 -3.374 1.00 0.00 H new ATOM 1020 N ASP A 63 65.466 12.719 0.700 1.00 0.00 N ATOM 1021 CA ASP A 63 66.855 13.164 0.688 1.00 0.00 C ATOM 1022 C ASP A 63 67.647 12.478 -0.443 1.00 0.00 C ATOM 1023 O ASP A 63 68.616 13.020 -0.961 1.00 0.00 O ATOM 1024 CB ASP A 63 67.481 12.890 2.067 1.00 0.00 C ATOM 1025 CG ASP A 63 68.888 13.486 2.293 1.00 0.00 C ATOM 1026 OD1 ASP A 63 69.469 14.064 1.375 1.00 0.00 O ATOM 1027 OD2 ASP A 63 69.394 13.363 3.407 1.00 0.00 O ATOM 0 H ASP A 63 65.165 12.261 1.560 1.00 0.00 H new ATOM 0 HA ASP A 63 66.892 14.235 0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 63 66.813 13.282 2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 63 67.535 11.811 2.213 1.00 0.00 H new ATOM 1032 N TYR A 64 67.164 11.273 -0.803 1.00 0.00 N ATOM 1033 CA TYR A 64 67.824 10.494 -1.834 1.00 0.00 C ATOM 1034 C TYR A 64 66.962 10.419 -3.088 1.00 0.00 C ATOM 1035 O TYR A 64 67.175 9.543 -3.897 1.00 0.00 O ATOM 1036 CB TYR A 64 68.110 9.085 -1.302 1.00 0.00 C ATOM 1037 CG TYR A 64 69.085 9.139 -0.168 1.00 0.00 C ATOM 1038 CD1 TYR A 64 68.644 9.474 1.102 1.00 0.00 C ATOM 1039 CD2 TYR A 64 70.433 8.873 -0.368 1.00 0.00 C ATOM 1040 CE1 TYR A 64 69.530 9.571 2.158 1.00 0.00 C ATOM 1041 CE2 TYR A 64 71.313 8.922 0.701 1.00 0.00 C ATOM 1042 CZ TYR A 64 70.863 9.266 1.968 1.00 0.00 C ATOM 1043 OH TYR A 64 71.717 9.266 3.052 1.00 0.00 O ATOM 0 H TYR A 64 66.336 10.837 -0.397 1.00 0.00 H new ATOM 0 HA TYR A 64 68.763 10.980 -2.098 1.00 0.00 H new ATOM 0 HB2 TYR A 64 67.182 8.621 -0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 64 68.509 8.462 -2.103 1.00 0.00 H new ATOM 0 HD1 TYR A 64 67.594 9.662 1.269 1.00 0.00 H new ATOM 0 HD2 TYR A 64 70.795 8.628 -1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 64 69.180 9.885 3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 64 72.357 8.691 0.547 1.00 0.00 H new ATOM 0 HH TYR A 64 72.543 8.794 2.818 1.00 0.00 H new ATOM 1053 N ARG A 65 65.980 11.341 -3.224 1.00 0.00 N ATOM 1054 CA ARG A 65 65.098 11.398 -4.399 1.00 0.00 C ATOM 1055 C ARG A 65 64.675 10.010 -4.933 1.00 0.00 C ATOM 1056 O ARG A 65 64.637 9.791 -6.137 1.00 0.00 O ATOM 1057 CB ARG A 65 65.789 12.195 -5.522 1.00 0.00 C ATOM 1058 CG ARG A 65 65.948 13.682 -5.196 1.00 0.00 C ATOM 1059 CD ARG A 65 66.964 14.369 -6.119 1.00 0.00 C ATOM 1060 NE ARG A 65 68.139 14.756 -5.349 1.00 0.00 N ATOM 1061 CZ ARG A 65 69.096 15.562 -5.859 1.00 0.00 C ATOM 1062 NH1 ARG A 65 69.011 16.025 -7.104 1.00 0.00 N ATOM 1063 NH2 ARG A 65 70.137 15.898 -5.104 1.00 0.00 N ATOM 0 H ARG A 65 65.783 12.058 -2.525 1.00 0.00 H new ATOM 0 HA ARG A 65 64.183 11.893 -4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 65 66.772 11.764 -5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 65 65.212 12.091 -6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 65 64.982 14.178 -5.288 1.00 0.00 H new ATOM 0 HG3 ARG A 65 66.267 13.794 -4.160 1.00 0.00 H new ATOM 0 HD2 ARG A 65 67.251 13.695 -6.926 1.00 0.00 H new ATOM 0 HD3 ARG A 65 66.514 15.247 -6.582 1.00 0.00 H new ATOM 0 HE ARG A 65 68.242 14.408 -4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 65 68.214 15.772 -7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 65 69.742 16.633 -7.473 1.00 0.00 H new ATOM 0 HH21 ARG A 65 70.208 15.548 -4.149 1.00 0.00 H new ATOM 0 HH22 ARG A 65 70.865 16.506 -5.480 1.00 0.00 H new ATOM 1077 N ILE A 66 64.396 9.092 -3.973 1.00 0.00 N ATOM 1078 CA ILE A 66 64.114 7.704 -4.338 1.00 0.00 C ATOM 1079 C ILE A 66 62.697 7.605 -4.904 1.00 0.00 C ATOM 1080 O ILE A 66 61.730 7.370 -4.192 1.00 0.00 O ATOM 1081 CB ILE A 66 64.313 6.720 -3.166 1.00 0.00 C ATOM 1082 CG1 ILE A 66 65.418 7.194 -2.215 1.00 0.00 C ATOM 1083 CG2 ILE A 66 64.548 5.282 -3.643 1.00 0.00 C ATOM 1084 CD1 ILE A 66 65.984 6.153 -1.262 1.00 0.00 C ATOM 0 H ILE A 66 64.363 9.291 -2.973 1.00 0.00 H new ATOM 0 HA ILE A 66 64.836 7.410 -5.100 1.00 0.00 H new ATOM 0 HB ILE A 66 63.380 6.709 -2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 66 66.238 7.590 -2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 66 65.027 8.022 -1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 66 64.682 4.630 -2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 66 63.688 4.946 -4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 66 65.441 5.247 -4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 66 66.756 6.609 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 66 65.186 5.771 -0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 66 66.416 5.332 -1.835 1.00 0.00 H new ATOM 1096 N ASP A 67 62.654 7.809 -6.235 1.00 0.00 N ATOM 1097 CA ASP A 67 61.389 7.780 -6.950 1.00 0.00 C ATOM 1098 C ASP A 67 61.186 6.348 -7.457 1.00 0.00 C ATOM 1099 O ASP A 67 62.115 5.570 -7.512 1.00 0.00 O ATOM 1100 CB ASP A 67 61.449 8.819 -8.082 1.00 0.00 C ATOM 1101 CG ASP A 67 60.187 8.797 -8.965 1.00 0.00 C ATOM 1102 OD1 ASP A 67 59.096 9.034 -8.445 1.00 0.00 O ATOM 1103 OD2 ASP A 67 60.309 8.528 -10.157 1.00 0.00 O ATOM 0 H ASP A 67 63.471 7.992 -6.817 1.00 0.00 H new ATOM 0 HA ASP A 67 60.538 8.041 -6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 67 61.572 9.813 -7.653 1.00 0.00 H new ATOM 0 HB3 ASP A 67 62.326 8.628 -8.701 1.00 0.00 H new ATOM 1108 N GLU A 68 59.907 6.076 -7.810 1.00 0.00 N ATOM 1109 CA GLU A 68 59.487 4.788 -8.354 1.00 0.00 C ATOM 1110 C GLU A 68 60.270 4.388 -9.613 1.00 0.00 C ATOM 1111 O GLU A 68 60.755 3.265 -9.720 1.00 0.00 O ATOM 1112 CB GLU A 68 57.978 4.826 -8.647 1.00 0.00 C ATOM 1113 CG GLU A 68 57.561 5.829 -9.744 1.00 0.00 C ATOM 1114 CD GLU A 68 56.041 6.063 -9.818 1.00 0.00 C ATOM 1115 OE1 GLU A 68 55.290 5.408 -9.095 1.00 0.00 O ATOM 1116 OE2 GLU A 68 55.625 6.908 -10.609 1.00 0.00 O ATOM 0 H GLU A 68 59.147 6.751 -7.721 1.00 0.00 H new ATOM 0 HA GLU A 68 59.703 4.027 -7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 68 57.654 3.828 -8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 68 57.449 5.073 -7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 68 58.059 6.782 -9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 68 57.912 5.465 -10.710 1.00 0.00 H new ATOM 1123 N LYS A 69 60.383 5.368 -10.542 1.00 0.00 N ATOM 1124 CA LYS A 69 61.088 5.177 -11.808 1.00 0.00 C ATOM 1125 C LYS A 69 62.531 4.681 -11.590 1.00 0.00 C ATOM 1126 O LYS A 69 63.112 4.008 -12.428 1.00 0.00 O ATOM 1127 CB LYS A 69 61.078 6.493 -12.612 1.00 0.00 C ATOM 1128 CG LYS A 69 60.792 6.295 -14.106 1.00 0.00 C ATOM 1129 CD LYS A 69 62.038 5.922 -14.913 1.00 0.00 C ATOM 1130 CE LYS A 69 61.743 5.824 -16.412 1.00 0.00 C ATOM 1131 NZ LYS A 69 62.944 5.993 -17.220 1.00 0.00 N ATOM 0 H LYS A 69 59.988 6.301 -10.425 1.00 0.00 H new ATOM 0 HA LYS A 69 60.567 4.405 -12.375 1.00 0.00 H new ATOM 0 HB2 LYS A 69 60.326 7.161 -12.192 1.00 0.00 H new ATOM 0 HB3 LYS A 69 62.043 6.987 -12.497 1.00 0.00 H new ATOM 0 HG2 LYS A 69 60.042 5.513 -14.225 1.00 0.00 H new ATOM 0 HG3 LYS A 69 60.365 7.212 -14.512 1.00 0.00 H new ATOM 0 HD2 LYS A 69 62.815 6.667 -14.745 1.00 0.00 H new ATOM 0 HD3 LYS A 69 62.428 4.968 -14.557 1.00 0.00 H new ATOM 0 HE2 LYS A 69 61.294 4.855 -16.630 1.00 0.00 H new ATOM 0 HE3 LYS A 69 61.012 6.584 -16.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 62.698 5.919 -18.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 63.360 6.928 -17.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 63.633 5.253 -16.977 1.00 0.00 H new ATOM 1145 N ASN A 70 63.041 5.047 -10.393 1.00 0.00 N ATOM 1146 CA ASN A 70 64.355 4.615 -9.956 1.00 0.00 C ATOM 1147 C ASN A 70 64.185 3.562 -8.853 1.00 0.00 C ATOM 1148 O ASN A 70 63.139 3.420 -8.248 1.00 0.00 O ATOM 1149 CB ASN A 70 65.104 5.850 -9.444 1.00 0.00 C ATOM 1150 CG ASN A 70 66.629 5.679 -9.577 1.00 0.00 C ATOM 1151 OD1 ASN A 70 67.186 4.930 -8.613 1.00 0.00 O flip ATOM 1152 ND2 ASN A 70 67.249 6.194 -10.498 1.00 0.00 N flip ATOM 0 H ASN A 70 62.550 5.641 -9.724 1.00 0.00 H new ATOM 0 HA ASN A 70 64.925 4.164 -10.768 1.00 0.00 H new ATOM 0 HB2 ASN A 70 64.785 6.729 -10.004 1.00 0.00 H new ATOM 0 HB3 ASN A 70 64.846 6.027 -8.400 1.00 0.00 H new ATOM 0 HD21 ASN A 70 66.756 6.752 -11.196 1.00 0.00 H new ATOM 0 HD22 ASN A 70 68.258 6.066 -10.568 1.00 0.00 H new ATOM 1159 N PHE A 71 65.306 2.840 -8.639 1.00 0.00 N ATOM 1160 CA PHE A 71 65.365 1.890 -7.549 1.00 0.00 C ATOM 1161 C PHE A 71 66.705 2.017 -6.816 1.00 0.00 C ATOM 1162 O PHE A 71 67.739 2.268 -7.415 1.00 0.00 O ATOM 1163 CB PHE A 71 65.105 0.485 -8.119 1.00 0.00 C ATOM 1164 CG PHE A 71 66.286 -0.212 -8.718 1.00 0.00 C ATOM 1165 CD1 PHE A 71 67.302 -0.679 -7.895 1.00 0.00 C ATOM 1166 CD2 PHE A 71 66.376 -0.407 -10.089 1.00 0.00 C ATOM 1167 CE1 PHE A 71 68.428 -1.269 -8.434 1.00 0.00 C ATOM 1168 CE2 PHE A 71 67.487 -1.038 -10.630 1.00 0.00 C ATOM 1169 CZ PHE A 71 68.521 -1.454 -9.802 1.00 0.00 C ATOM 0 H PHE A 71 66.154 2.906 -9.201 1.00 0.00 H new ATOM 0 HA PHE A 71 64.597 2.091 -6.803 1.00 0.00 H new ATOM 0 HB2 PHE A 71 64.706 -0.141 -7.320 1.00 0.00 H new ATOM 0 HB3 PHE A 71 64.329 0.562 -8.881 1.00 0.00 H new ATOM 0 HD1 PHE A 71 67.211 -0.580 -6.823 1.00 0.00 H new ATOM 0 HD2 PHE A 71 65.580 -0.067 -10.736 1.00 0.00 H new ATOM 0 HE1 PHE A 71 69.234 -1.585 -7.789 1.00 0.00 H new ATOM 0 HE2 PHE A 71 67.547 -1.206 -11.695 1.00 0.00 H new ATOM 0 HZ PHE A 71 69.397 -1.922 -10.226 1.00 0.00 H new ATOM 1179 N VAL A 72 66.609 1.789 -5.487 1.00 0.00 N ATOM 1180 CA VAL A 72 67.794 1.794 -4.639 1.00 0.00 C ATOM 1181 C VAL A 72 68.237 0.358 -4.337 1.00 0.00 C ATOM 1182 O VAL A 72 67.443 -0.567 -4.343 1.00 0.00 O ATOM 1183 CB VAL A 72 67.439 2.566 -3.361 1.00 0.00 C ATOM 1184 CG1 VAL A 72 67.155 1.698 -2.157 1.00 0.00 C ATOM 1185 CG2 VAL A 72 68.543 3.496 -2.930 1.00 0.00 C ATOM 0 H VAL A 72 65.734 1.604 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 72 68.633 2.280 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 72 66.535 3.102 -3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 72 66.914 2.330 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 72 66.312 1.042 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 72 68.034 1.096 -1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 72 68.244 4.019 -2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 72 69.448 2.921 -2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 72 68.736 4.222 -3.720 1.00 0.00 H new ATOM 1195 N VAL A 73 69.548 0.236 -4.039 1.00 0.00 N ATOM 1196 CA VAL A 73 70.082 -1.085 -3.733 1.00 0.00 C ATOM 1197 C VAL A 73 70.012 -1.380 -2.228 1.00 0.00 C ATOM 1198 O VAL A 73 70.743 -0.795 -1.452 1.00 0.00 O ATOM 1199 CB VAL A 73 71.537 -1.216 -4.212 1.00 0.00 C ATOM 1200 CG1 VAL A 73 72.219 -2.513 -3.710 1.00 0.00 C ATOM 1201 CG2 VAL A 73 71.640 -1.057 -5.739 1.00 0.00 C ATOM 0 H VAL A 73 70.220 1.003 -4.007 1.00 0.00 H new ATOM 0 HA VAL A 73 69.465 -1.811 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 73 72.093 -0.395 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 73 73.244 -2.551 -4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 73 72.225 -2.522 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 73 71.668 -3.379 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 73 72.681 -1.155 -6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 73 71.044 -1.829 -6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 73 71.267 -0.074 -6.028 1.00 0.00 H new ATOM 1211 N VAL A 74 69.160 -2.366 -1.881 1.00 0.00 N ATOM 1212 CA VAL A 74 69.068 -2.844 -0.500 1.00 0.00 C ATOM 1213 C VAL A 74 70.227 -3.822 -0.177 1.00 0.00 C ATOM 1214 O VAL A 74 70.101 -5.033 -0.299 1.00 0.00 O ATOM 1215 CB VAL A 74 67.701 -3.519 -0.272 1.00 0.00 C ATOM 1216 CG1 VAL A 74 67.305 -4.401 -1.459 1.00 0.00 C ATOM 1217 CG2 VAL A 74 67.648 -4.329 1.035 1.00 0.00 C ATOM 0 H VAL A 74 68.535 -2.838 -2.535 1.00 0.00 H new ATOM 0 HA VAL A 74 69.156 -1.992 0.174 1.00 0.00 H new ATOM 0 HB VAL A 74 66.977 -2.709 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 74 66.336 -4.861 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 74 67.242 -3.791 -2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 74 68.054 -5.180 -1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 74 66.662 -4.782 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 74 68.406 -5.112 1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 74 67.838 -3.668 1.881 1.00 0.00 H new ATOM 1227 N MET A 75 71.342 -3.219 0.281 1.00 0.00 N ATOM 1228 CA MET A 75 72.484 -3.994 0.760 1.00 0.00 C ATOM 1229 C MET A 75 72.377 -4.181 2.282 1.00 0.00 C ATOM 1230 O MET A 75 72.017 -3.269 3.006 1.00 0.00 O ATOM 1231 CB MET A 75 73.773 -3.240 0.400 1.00 0.00 C ATOM 1232 CG MET A 75 75.005 -3.713 1.189 1.00 0.00 C ATOM 1233 SD MET A 75 76.468 -2.746 0.790 1.00 0.00 S ATOM 1234 CE MET A 75 77.047 -3.677 -0.636 1.00 0.00 C ATOM 0 H MET A 75 71.468 -2.208 0.326 1.00 0.00 H new ATOM 0 HA MET A 75 72.497 -4.978 0.292 1.00 0.00 H new ATOM 0 HB2 MET A 75 73.967 -3.359 -0.666 1.00 0.00 H new ATOM 0 HB3 MET A 75 73.623 -2.175 0.580 1.00 0.00 H new ATOM 0 HG2 MET A 75 74.802 -3.640 2.257 1.00 0.00 H new ATOM 0 HG3 MET A 75 75.194 -4.764 0.971 1.00 0.00 H new ATOM 0 HE1 MET A 75 77.957 -3.220 -1.024 1.00 0.00 H new ATOM 0 HE2 MET A 75 77.255 -4.705 -0.339 1.00 0.00 H new ATOM 0 HE3 MET A 75 76.280 -3.671 -1.410 1.00 0.00 H new ATOM 1244 N VAL A 76 72.747 -5.418 2.705 1.00 0.00 N ATOM 1245 CA VAL A 76 72.781 -5.764 4.127 1.00 0.00 C ATOM 1246 C VAL A 76 74.018 -6.631 4.416 1.00 0.00 C ATOM 1247 O VAL A 76 74.457 -7.413 3.591 1.00 0.00 O ATOM 1248 CB VAL A 76 71.487 -6.501 4.548 1.00 0.00 C ATOM 1249 CG1 VAL A 76 71.403 -6.680 6.080 1.00 0.00 C ATOM 1250 CG2 VAL A 76 70.231 -5.825 3.977 1.00 0.00 C ATOM 0 H VAL A 76 73.021 -6.176 2.080 1.00 0.00 H new ATOM 0 HA VAL A 76 72.844 -4.846 4.711 1.00 0.00 H new ATOM 0 HB VAL A 76 71.532 -7.500 4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 76 70.481 -7.201 6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 76 72.257 -7.263 6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 76 71.412 -5.702 6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 76 69.345 -6.374 4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 76 70.173 -4.799 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 76 70.283 -5.822 2.888 1.00 0.00 H new ATOM 1260 N THR A 77 74.533 -6.424 5.653 1.00 0.00 N ATOM 1261 CA THR A 77 75.687 -7.162 6.160 1.00 0.00 C ATOM 1262 C THR A 77 75.246 -8.000 7.357 1.00 0.00 C ATOM 1263 O THR A 77 74.860 -7.467 8.389 1.00 0.00 O ATOM 1264 CB THR A 77 76.776 -6.166 6.595 1.00 0.00 C ATOM 1265 OG1 THR A 77 76.183 -5.040 7.194 1.00 0.00 O ATOM 1266 CG2 THR A 77 77.637 -5.714 5.414 1.00 0.00 C ATOM 0 H THR A 77 74.155 -5.744 6.312 1.00 0.00 H new ATOM 0 HA THR A 77 76.088 -7.813 5.383 1.00 0.00 H new ATOM 0 HB THR A 77 77.421 -6.676 7.310 1.00 0.00 H new ATOM 0 HG1 THR A 77 75.512 -5.332 7.846 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.394 -5.012 5.763 1.00 0.00 H new ATOM 0 HG22 THR A 77 78.125 -6.580 4.967 1.00 0.00 H new ATOM 0 HG23 THR A 77 77.007 -5.228 4.669 1.00 0.00 H new ATOM 1274 N LYS A 78 75.346 -9.338 7.147 1.00 0.00 N ATOM 1275 CA LYS A 78 75.011 -10.317 8.179 1.00 0.00 C ATOM 1276 C LYS A 78 73.533 -10.144 8.629 1.00 0.00 C ATOM 1277 O LYS A 78 73.270 -9.364 9.546 1.00 0.00 O ATOM 1278 CB LYS A 78 76.036 -10.232 9.331 1.00 0.00 C ATOM 1279 CG LYS A 78 75.688 -11.108 10.546 1.00 0.00 C ATOM 1280 CD LYS A 78 76.273 -10.553 11.850 1.00 0.00 C ATOM 1281 CE LYS A 78 75.379 -10.837 13.066 1.00 0.00 C ATOM 1282 NZ LYS A 78 76.090 -11.521 14.133 1.00 0.00 N ATOM 1283 OXT LYS A 78 72.663 -10.800 8.059 1.00 0.00 O ATOM 0 H LYS A 78 75.657 -9.750 6.267 1.00 0.00 H new ATOM 0 HA LYS A 78 75.081 -11.329 7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 78 77.016 -10.525 8.954 1.00 0.00 H new ATOM 0 HB3 LYS A 78 76.117 -9.195 9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 78 74.605 -11.182 10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 78 76.064 -12.118 10.383 1.00 0.00 H new ATOM 0 HD2 LYS A 78 77.257 -10.990 12.017 1.00 0.00 H new ATOM 0 HD3 LYS A 78 76.415 -9.477 11.751 1.00 0.00 H new ATOM 0 HE2 LYS A 78 74.978 -9.897 13.445 1.00 0.00 H new ATOM 0 HE3 LYS A 78 74.529 -11.443 12.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 75.443 -11.689 14.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 76.451 -12.431 13.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 76.886 -10.933 14.452 1.00 0.00 H new TER 1297 LYS A 78