USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 419 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: X 4 LYS NZ :NH3+ 155:sc= -0.0442 (180deg=-0.377) USER MOD Set 1.2: X 51 THR OG1 : rot 76:sc= 1.22 USER MOD Set 2.1: X 1 MET N :NH3+ -164:sc= -2.19! (180deg=-1.52) USER MOD Set 2.2: X 2 GLN : amide:sc= -8.08! C(o=-14!,f=-13!) USER MOD Set 2.3: X 50 LYS NZ :NH3+ -168:sc= -3.29! (180deg=-3.71) USER MOD Single : X 1 MET CE :methyl 159:sc= 0 (180deg=-0.479) USER MOD Single : X 3 TYR OH : rot 73:sc= -5.64! USER MOD Single : X 8 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.4!) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot -24:sc= 1.11 USER MOD Single : X 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 16 THR OG1 : rot -155:sc= 0.927 USER MOD Single : X 17 THR OG1 : rot 180:sc= -0.0816 USER MOD Single : X 18 THR OG1 : rot 130:sc= 0.542 USER MOD Single : X 25 THR OG1 : rot -63:sc= -0.494 USER MOD Single : X 28 LYS NZ :NH3+ 160:sc= -0.746 (180deg=-2.53!) USER MOD Single : X 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 32 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.18) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc= -0.712 K(o=-0.71,f=-2.2!) USER MOD Single : X 37 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : X 44 THR OG1 : rot 180:sc= 0 USER MOD Single : X 45 TYR OH : rot 180:sc= 0 USER MOD Single : X 49 THR OG1 : rot 180:sc= -0.0494 USER MOD Single : X 53 THR OG1 : rot 23:sc= -0.119 USER MOD Single : X 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 12.934 6.187 15.126 1.00 0.00 N ATOM 2 CA MET X 1 13.988 5.216 15.534 1.00 0.00 C ATOM 3 C MET X 1 14.036 4.069 14.530 1.00 0.00 C ATOM 4 O MET X 1 14.979 3.280 14.521 1.00 0.00 O ATOM 5 CB MET X 1 13.669 4.676 16.929 1.00 0.00 C ATOM 6 CG MET X 1 12.181 4.333 17.015 1.00 0.00 C ATOM 7 SD MET X 1 11.950 2.933 18.139 1.00 0.00 S ATOM 8 CE MET X 1 12.636 3.718 19.618 1.00 0.00 C ATOM 0 H1 MET X 1 13.074 7.084 15.633 1.00 0.00 H new ATOM 0 H2 MET X 1 12.995 6.355 14.101 1.00 0.00 H new ATOM 0 H3 MET X 1 11.997 5.800 15.358 1.00 0.00 H new ATOM 0 HA MET X 1 14.958 5.713 15.556 1.00 0.00 H new ATOM 0 HB2 MET X 1 14.270 3.790 17.134 1.00 0.00 H new ATOM 0 HB3 MET X 1 13.927 5.417 17.685 1.00 0.00 H new ATOM 0 HG2 MET X 1 11.618 5.196 17.371 1.00 0.00 H new ATOM 0 HG3 MET X 1 11.796 4.087 16.026 1.00 0.00 H new ATOM 0 HE1 MET X 1 12.271 3.202 20.506 1.00 0.00 H new ATOM 0 HE2 MET X 1 13.724 3.662 19.588 1.00 0.00 H new ATOM 0 HE3 MET X 1 12.327 4.763 19.652 1.00 0.00 H new ATOM 19 N GLN X 2 13.010 3.977 13.691 1.00 0.00 N ATOM 20 CA GLN X 2 12.949 2.915 12.692 1.00 0.00 C ATOM 21 C GLN X 2 13.568 3.375 11.374 1.00 0.00 C ATOM 22 O GLN X 2 13.204 4.419 10.833 1.00 0.00 O ATOM 23 CB GLN X 2 11.495 2.499 12.459 1.00 0.00 C ATOM 24 CG GLN X 2 10.774 3.582 11.654 1.00 0.00 C ATOM 25 CD GLN X 2 11.034 4.950 12.276 1.00 0.00 C ATOM 26 OE1 GLN X 2 11.641 5.815 11.646 1.00 0.00 O ATOM 27 NE2 GLN X 2 10.607 5.197 13.484 1.00 0.00 N ATOM 0 H GLN X 2 12.216 4.618 13.681 1.00 0.00 H new ATOM 0 HA GLN X 2 13.516 2.062 13.065 1.00 0.00 H new ATOM 0 HB2 GLN X 2 11.459 1.550 11.924 1.00 0.00 H new ATOM 0 HB3 GLN X 2 10.992 2.346 13.414 1.00 0.00 H new ATOM 0 HG2 GLN X 2 11.121 3.571 10.621 1.00 0.00 H new ATOM 0 HG3 GLN X 2 9.703 3.380 11.633 1.00 0.00 H new ATOM 0 HE21 GLN X 2 10.104 4.478 14.004 1.00 0.00 H new ATOM 0 HE22 GLN X 2 10.776 6.109 13.908 1.00 0.00 H new ATOM 36 N TYR X 3 14.504 2.579 10.866 1.00 0.00 N ATOM 37 CA TYR X 3 15.171 2.901 9.612 1.00 0.00 C ATOM 38 C TYR X 3 15.050 1.740 8.638 1.00 0.00 C ATOM 39 O TYR X 3 14.946 0.583 9.046 1.00 0.00 O ATOM 40 CB TYR X 3 16.650 3.205 9.862 1.00 0.00 C ATOM 41 CG TYR X 3 16.910 3.225 11.350 1.00 0.00 C ATOM 42 CD1 TYR X 3 16.684 2.074 12.113 1.00 0.00 C ATOM 43 CD2 TYR X 3 17.376 4.394 11.965 1.00 0.00 C ATOM 44 CE1 TYR X 3 16.923 2.091 13.491 1.00 0.00 C ATOM 45 CE2 TYR X 3 17.614 4.410 13.344 1.00 0.00 C ATOM 46 CZ TYR X 3 17.387 3.258 14.107 1.00 0.00 C ATOM 47 OH TYR X 3 17.619 3.274 15.467 1.00 0.00 O ATOM 0 H TYR X 3 14.816 1.711 11.302 1.00 0.00 H new ATOM 0 HA TYR X 3 14.691 3.781 9.183 1.00 0.00 H new ATOM 0 HB2 TYR X 3 17.274 2.451 9.382 1.00 0.00 H new ATOM 0 HB3 TYR X 3 16.915 4.166 9.422 1.00 0.00 H new ATOM 0 HD1 TYR X 3 16.325 1.173 11.638 1.00 0.00 H new ATOM 0 HD2 TYR X 3 17.551 5.282 11.376 1.00 0.00 H new ATOM 0 HE1 TYR X 3 16.749 1.202 14.080 1.00 0.00 H new ATOM 0 HE2 TYR X 3 17.973 5.311 13.820 1.00 0.00 H new ATOM 0 HH TYR X 3 18.426 2.756 15.667 1.00 0.00 H new ATOM 57 N LYS X 4 15.068 2.053 7.350 1.00 0.00 N ATOM 58 CA LYS X 4 14.960 1.015 6.334 1.00 0.00 C ATOM 59 C LYS X 4 16.208 0.987 5.467 1.00 0.00 C ATOM 60 O LYS X 4 16.774 2.027 5.133 1.00 0.00 O ATOM 61 CB LYS X 4 13.725 1.250 5.460 1.00 0.00 C ATOM 62 CG LYS X 4 13.934 2.489 4.584 1.00 0.00 C ATOM 63 CD LYS X 4 12.743 2.647 3.636 1.00 0.00 C ATOM 64 CE LYS X 4 11.640 3.450 4.328 1.00 0.00 C ATOM 65 NZ LYS X 4 12.046 4.882 4.413 1.00 0.00 N ATOM 0 H LYS X 4 15.155 3.002 6.987 1.00 0.00 H new ATOM 0 HA LYS X 4 14.859 0.053 6.837 1.00 0.00 H new ATOM 0 HB2 LYS X 4 13.541 0.378 4.833 1.00 0.00 H new ATOM 0 HB3 LYS X 4 12.844 1.382 6.088 1.00 0.00 H new ATOM 0 HG2 LYS X 4 14.036 3.377 5.208 1.00 0.00 H new ATOM 0 HG3 LYS X 4 14.857 2.393 4.013 1.00 0.00 H new ATOM 0 HD2 LYS X 4 13.057 3.153 2.723 1.00 0.00 H new ATOM 0 HD3 LYS X 4 12.365 1.667 3.344 1.00 0.00 H new ATOM 0 HE2 LYS X 4 10.706 3.358 3.773 1.00 0.00 H new ATOM 0 HE3 LYS X 4 11.458 3.053 5.327 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 11.198 5.480 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 12.633 5.027 5.259 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 12.591 5.139 3.565 1.00 0.00 H new ATOM 79 N LEU X 5 16.629 -0.215 5.109 1.00 0.00 N ATOM 80 CA LEU X 5 17.810 -0.380 4.282 1.00 0.00 C ATOM 81 C LEU X 5 17.437 -1.052 2.965 1.00 0.00 C ATOM 82 O LEU X 5 17.115 -2.239 2.931 1.00 0.00 O ATOM 83 CB LEU X 5 18.848 -1.222 5.028 1.00 0.00 C ATOM 84 CG LEU X 5 20.050 -1.513 4.115 1.00 0.00 C ATOM 85 CD1 LEU X 5 19.727 -2.671 3.162 1.00 0.00 C ATOM 86 CD2 LEU X 5 20.391 -0.261 3.298 1.00 0.00 C ATOM 0 H LEU X 5 16.172 -1.087 5.377 1.00 0.00 H new ATOM 0 HA LEU X 5 18.235 0.600 4.066 1.00 0.00 H new ATOM 0 HB2 LEU X 5 19.180 -0.695 5.922 1.00 0.00 H new ATOM 0 HB3 LEU X 5 18.398 -2.158 5.359 1.00 0.00 H new ATOM 0 HG LEU X 5 20.902 -1.791 4.735 1.00 0.00 H new ATOM 0 HD11 LEU X 5 20.587 -2.866 2.522 1.00 0.00 H new ATOM 0 HD12 LEU X 5 19.496 -3.565 3.741 1.00 0.00 H new ATOM 0 HD13 LEU X 5 18.868 -2.406 2.545 1.00 0.00 H new ATOM 0 HD21 LEU X 5 21.243 -0.469 2.651 1.00 0.00 H new ATOM 0 HD22 LEU X 5 19.533 0.020 2.688 1.00 0.00 H new ATOM 0 HD23 LEU X 5 20.640 0.558 3.973 1.00 0.00 H new ATOM 98 N ILE X 6 17.482 -0.280 1.886 1.00 0.00 N ATOM 99 CA ILE X 6 17.151 -0.802 0.569 1.00 0.00 C ATOM 100 C ILE X 6 18.362 -0.757 -0.360 1.00 0.00 C ATOM 101 O ILE X 6 19.054 0.258 -0.438 1.00 0.00 O ATOM 102 CB ILE X 6 15.967 -0.015 -0.030 1.00 0.00 C ATOM 103 CG1 ILE X 6 16.349 0.610 -1.376 1.00 0.00 C ATOM 104 CG2 ILE X 6 15.525 1.080 0.943 1.00 0.00 C ATOM 105 CD1 ILE X 6 15.129 1.309 -1.979 1.00 0.00 C ATOM 0 H ILE X 6 17.744 0.706 1.898 1.00 0.00 H new ATOM 0 HA ILE X 6 16.857 -1.846 0.675 1.00 0.00 H new ATOM 0 HB ILE X 6 15.143 -0.709 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE X 6 17.160 1.325 -1.240 1.00 0.00 H new ATOM 0 HG13 ILE X 6 16.713 -0.160 -2.056 1.00 0.00 H new ATOM 0 HG21 ILE X 6 14.689 1.632 0.514 1.00 0.00 H new ATOM 0 HG22 ILE X 6 15.216 0.627 1.885 1.00 0.00 H new ATOM 0 HG23 ILE X 6 16.355 1.762 1.124 1.00 0.00 H new ATOM 0 HD11 ILE X 6 15.401 1.754 -2.936 1.00 0.00 H new ATOM 0 HD12 ILE X 6 14.331 0.582 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE X 6 14.785 2.090 -1.301 1.00 0.00 H new ATOM 117 N LEU X 7 18.609 -1.854 -1.069 1.00 0.00 N ATOM 118 CA LEU X 7 19.734 -1.916 -1.995 1.00 0.00 C ATOM 119 C LEU X 7 19.227 -1.940 -3.435 1.00 0.00 C ATOM 120 O LEU X 7 18.336 -2.716 -3.777 1.00 0.00 O ATOM 121 CB LEU X 7 20.573 -3.169 -1.723 1.00 0.00 C ATOM 122 CG LEU X 7 20.991 -3.198 -0.250 1.00 0.00 C ATOM 123 CD1 LEU X 7 22.090 -4.244 -0.048 1.00 0.00 C ATOM 124 CD2 LEU X 7 21.521 -1.821 0.155 1.00 0.00 C ATOM 0 H LEU X 7 18.050 -2.706 -1.021 1.00 0.00 H new ATOM 0 HA LEU X 7 20.355 -1.032 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU X 7 19.999 -4.063 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU X 7 21.456 -3.173 -2.362 1.00 0.00 H new ATOM 0 HG LEU X 7 20.129 -3.455 0.366 1.00 0.00 H new ATOM 0 HD11 LEU X 7 22.386 -4.263 1.001 1.00 0.00 H new ATOM 0 HD12 LEU X 7 21.715 -5.226 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU X 7 22.953 -3.989 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU X 7 21.819 -1.840 1.203 1.00 0.00 H new ATOM 0 HD22 LEU X 7 22.382 -1.567 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU X 7 20.740 -1.074 0.013 1.00 0.00 H new ATOM 136 N ASN X 8 19.797 -1.075 -4.271 1.00 0.00 N ATOM 137 CA ASN X 8 19.395 -0.995 -5.670 1.00 0.00 C ATOM 138 C ASN X 8 20.603 -1.167 -6.579 1.00 0.00 C ATOM 139 O ASN X 8 21.659 -1.628 -6.147 1.00 0.00 O ATOM 140 CB ASN X 8 18.737 0.359 -5.948 1.00 0.00 C ATOM 141 CG ASN X 8 17.242 0.177 -6.187 1.00 0.00 C ATOM 142 OD1 ASN X 8 16.650 -0.792 -5.711 1.00 0.00 O ATOM 143 ND2 ASN X 8 16.592 1.058 -6.897 1.00 0.00 N ATOM 0 H ASN X 8 20.535 -0.423 -4.004 1.00 0.00 H new ATOM 0 HA ASN X 8 18.681 -1.794 -5.871 1.00 0.00 H new ATOM 0 HB2 ASN X 8 18.899 1.031 -5.105 1.00 0.00 H new ATOM 0 HB3 ASN X 8 19.198 0.824 -6.819 1.00 0.00 H new ATOM 0 HD21 ASN X 8 15.591 0.945 -7.059 1.00 0.00 H new ATOM 0 HD22 ASN X 8 17.085 1.860 -7.290 1.00 0.00 H new ATOM 150 N GLY X 9 20.439 -0.792 -7.841 1.00 0.00 N ATOM 151 CA GLY X 9 21.526 -0.907 -8.807 1.00 0.00 C ATOM 152 C GLY X 9 21.035 -1.515 -10.117 1.00 0.00 C ATOM 153 O GLY X 9 19.840 -1.506 -10.408 1.00 0.00 O ATOM 0 H GLY X 9 19.572 -0.409 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY X 9 21.953 0.078 -8.997 1.00 0.00 H new ATOM 0 HA3 GLY X 9 22.322 -1.525 -8.392 1.00 0.00 H new ATOM 157 N LYS X 10 21.970 -2.039 -10.904 1.00 0.00 N ATOM 158 CA LYS X 10 21.626 -2.648 -12.184 1.00 0.00 C ATOM 159 C LYS X 10 20.703 -3.844 -11.980 1.00 0.00 C ATOM 160 O LYS X 10 19.485 -3.737 -12.127 1.00 0.00 O ATOM 161 CB LYS X 10 22.896 -3.101 -12.907 1.00 0.00 C ATOM 162 CG LYS X 10 23.981 -2.037 -12.747 1.00 0.00 C ATOM 163 CD LYS X 10 25.038 -2.533 -11.761 1.00 0.00 C ATOM 164 CE LYS X 10 26.160 -1.500 -11.649 1.00 0.00 C ATOM 165 NZ LYS X 10 27.031 -1.840 -10.488 1.00 0.00 N ATOM 0 H LYS X 10 22.965 -2.054 -10.680 1.00 0.00 H new ATOM 0 HA LYS X 10 21.109 -1.903 -12.789 1.00 0.00 H new ATOM 0 HB2 LYS X 10 23.240 -4.051 -12.499 1.00 0.00 H new ATOM 0 HB3 LYS X 10 22.686 -3.266 -13.964 1.00 0.00 H new ATOM 0 HG2 LYS X 10 24.440 -1.823 -13.712 1.00 0.00 H new ATOM 0 HG3 LYS X 10 23.542 -1.106 -12.389 1.00 0.00 H new ATOM 0 HD2 LYS X 10 24.587 -2.702 -10.783 1.00 0.00 H new ATOM 0 HD3 LYS X 10 25.442 -3.489 -12.095 1.00 0.00 H new ATOM 0 HE2 LYS X 10 26.748 -1.484 -12.567 1.00 0.00 H new ATOM 0 HE3 LYS X 10 25.740 -0.502 -11.523 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 27.795 -1.139 -10.410 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 26.465 -1.834 -9.616 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 27.442 -2.785 -10.627 1.00 0.00 H new ATOM 179 N THR X 11 21.294 -4.983 -11.637 1.00 0.00 N ATOM 180 CA THR X 11 20.525 -6.201 -11.410 1.00 0.00 C ATOM 181 C THR X 11 20.544 -6.563 -9.932 1.00 0.00 C ATOM 182 O THR X 11 20.265 -7.704 -9.559 1.00 0.00 O ATOM 183 CB THR X 11 21.122 -7.351 -12.221 1.00 0.00 C ATOM 184 OG1 THR X 11 20.462 -8.562 -11.879 1.00 0.00 O ATOM 185 CG2 THR X 11 22.614 -7.474 -11.911 1.00 0.00 C ATOM 0 H THR X 11 22.301 -5.088 -11.510 1.00 0.00 H new ATOM 0 HA THR X 11 19.496 -6.030 -11.725 1.00 0.00 H new ATOM 0 HB THR X 11 20.990 -7.154 -13.285 1.00 0.00 H new ATOM 0 HG1 THR X 11 20.070 -8.480 -10.985 1.00 0.00 H new ATOM 0 HG21 THR X 11 23.039 -8.294 -12.489 1.00 0.00 H new ATOM 0 HG22 THR X 11 23.118 -6.544 -12.175 1.00 0.00 H new ATOM 0 HG23 THR X 11 22.750 -7.671 -10.848 1.00 0.00 H new ATOM 193 N LEU X 12 20.879 -5.589 -9.097 1.00 0.00 N ATOM 194 CA LEU X 12 20.936 -5.817 -7.660 1.00 0.00 C ATOM 195 C LEU X 12 19.837 -5.039 -6.945 1.00 0.00 C ATOM 196 O LEU X 12 19.864 -3.810 -6.901 1.00 0.00 O ATOM 197 CB LEU X 12 22.295 -5.381 -7.119 1.00 0.00 C ATOM 198 CG LEU X 12 22.551 -6.068 -5.780 1.00 0.00 C ATOM 199 CD1 LEU X 12 23.079 -7.483 -6.027 1.00 0.00 C ATOM 200 CD2 LEU X 12 23.586 -5.264 -4.990 1.00 0.00 C ATOM 0 H LEU X 12 21.114 -4.640 -9.387 1.00 0.00 H new ATOM 0 HA LEU X 12 20.790 -6.882 -7.477 1.00 0.00 H new ATOM 0 HB2 LEU X 12 23.081 -5.639 -7.829 1.00 0.00 H new ATOM 0 HB3 LEU X 12 22.319 -4.298 -6.995 1.00 0.00 H new ATOM 0 HG LEU X 12 21.622 -6.123 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU X 12 23.262 -7.975 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU X 12 22.342 -8.053 -6.593 1.00 0.00 H new ATOM 0 HD13 LEU X 12 24.009 -7.431 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU X 12 23.772 -5.751 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU X 12 24.516 -5.211 -5.557 1.00 0.00 H new ATOM 0 HD23 LEU X 12 23.209 -4.256 -4.817 1.00 0.00 H new ATOM 212 N LYS X 13 18.877 -5.762 -6.381 1.00 0.00 N ATOM 213 CA LYS X 13 17.783 -5.122 -5.663 1.00 0.00 C ATOM 214 C LYS X 13 17.521 -5.832 -4.344 1.00 0.00 C ATOM 215 O LYS X 13 17.554 -7.060 -4.269 1.00 0.00 O ATOM 216 CB LYS X 13 16.506 -5.144 -6.499 1.00 0.00 C ATOM 217 CG LYS X 13 15.325 -4.743 -5.612 1.00 0.00 C ATOM 218 CD LYS X 13 14.120 -4.399 -6.492 1.00 0.00 C ATOM 219 CE LYS X 13 13.690 -5.641 -7.275 1.00 0.00 C ATOM 220 NZ LYS X 13 12.418 -5.357 -7.996 1.00 0.00 N ATOM 0 H LYS X 13 18.834 -6.781 -6.406 1.00 0.00 H new ATOM 0 HA LYS X 13 18.072 -4.089 -5.469 1.00 0.00 H new ATOM 0 HB2 LYS X 13 16.595 -4.458 -7.341 1.00 0.00 H new ATOM 0 HB3 LYS X 13 16.345 -6.139 -6.914 1.00 0.00 H new ATOM 0 HG2 LYS X 13 15.073 -5.558 -4.934 1.00 0.00 H new ATOM 0 HG3 LYS X 13 15.594 -3.886 -4.995 1.00 0.00 H new ATOM 0 HD2 LYS X 13 13.296 -4.041 -5.875 1.00 0.00 H new ATOM 0 HD3 LYS X 13 14.376 -3.593 -7.180 1.00 0.00 H new ATOM 0 HE2 LYS X 13 14.467 -5.924 -7.985 1.00 0.00 H new ATOM 0 HE3 LYS X 13 13.556 -6.483 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 12.125 -6.201 -8.529 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 11.678 -5.107 -7.309 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 12.562 -4.565 -8.654 1.00 0.00 H new ATOM 234 N GLY X 14 17.254 -5.051 -3.307 1.00 0.00 N ATOM 235 CA GLY X 14 16.980 -5.613 -1.996 1.00 0.00 C ATOM 236 C GLY X 14 16.285 -4.596 -1.102 1.00 0.00 C ATOM 237 O GLY X 14 16.562 -3.399 -1.172 1.00 0.00 O ATOM 0 H GLY X 14 17.222 -4.032 -3.349 1.00 0.00 H new ATOM 0 HA2 GLY X 14 16.354 -6.499 -2.100 1.00 0.00 H new ATOM 0 HA3 GLY X 14 17.912 -5.934 -1.532 1.00 0.00 H new ATOM 241 N GLU X 15 15.395 -5.087 -0.245 1.00 0.00 N ATOM 242 CA GLU X 15 14.677 -4.221 0.684 1.00 0.00 C ATOM 243 C GLU X 15 14.715 -4.826 2.084 1.00 0.00 C ATOM 244 O GLU X 15 14.514 -6.029 2.253 1.00 0.00 O ATOM 245 CB GLU X 15 13.223 -4.049 0.231 1.00 0.00 C ATOM 246 CG GLU X 15 12.481 -5.381 0.362 1.00 0.00 C ATOM 247 CD GLU X 15 13.127 -6.428 -0.538 1.00 0.00 C ATOM 248 OE1 GLU X 15 14.133 -6.988 -0.134 1.00 0.00 O ATOM 249 OE2 GLU X 15 12.607 -6.655 -1.619 1.00 0.00 O ATOM 0 H GLU X 15 15.154 -6.076 -0.174 1.00 0.00 H new ATOM 0 HA GLU X 15 15.158 -3.243 0.700 1.00 0.00 H new ATOM 0 HB2 GLU X 15 12.731 -3.287 0.836 1.00 0.00 H new ATOM 0 HB3 GLU X 15 13.192 -3.705 -0.803 1.00 0.00 H new ATOM 0 HG2 GLU X 15 12.502 -5.718 1.398 1.00 0.00 H new ATOM 0 HG3 GLU X 15 11.434 -5.252 0.090 1.00 0.00 H new ATOM 256 N THR X 16 14.995 -3.996 3.083 1.00 0.00 N ATOM 257 CA THR X 16 15.079 -4.486 4.456 1.00 0.00 C ATOM 258 C THR X 16 14.483 -3.498 5.441 1.00 0.00 C ATOM 259 O THR X 16 14.361 -2.306 5.155 1.00 0.00 O ATOM 260 CB THR X 16 16.540 -4.716 4.827 1.00 0.00 C ATOM 261 OG1 THR X 16 17.267 -5.096 3.666 1.00 0.00 O ATOM 262 CG2 THR X 16 16.638 -5.824 5.879 1.00 0.00 C ATOM 0 H THR X 16 15.165 -2.996 2.973 1.00 0.00 H new ATOM 0 HA THR X 16 14.514 -5.417 4.509 1.00 0.00 H new ATOM 0 HB THR X 16 16.959 -3.796 5.235 1.00 0.00 H new ATOM 0 HG1 THR X 16 18.054 -5.617 3.929 1.00 0.00 H new ATOM 0 HG21 THR X 16 17.684 -5.985 6.141 1.00 0.00 H new ATOM 0 HG22 THR X 16 16.082 -5.531 6.769 1.00 0.00 H new ATOM 0 HG23 THR X 16 16.219 -6.746 5.476 1.00 0.00 H new ATOM 270 N THR X 17 14.132 -4.005 6.614 1.00 0.00 N ATOM 271 CA THR X 17 13.569 -3.169 7.657 1.00 0.00 C ATOM 272 C THR X 17 14.028 -3.652 9.028 1.00 0.00 C ATOM 273 O THR X 17 13.975 -4.846 9.327 1.00 0.00 O ATOM 274 CB THR X 17 12.044 -3.185 7.582 1.00 0.00 C ATOM 275 OG1 THR X 17 11.632 -3.558 6.275 1.00 0.00 O ATOM 276 CG2 THR X 17 11.524 -1.790 7.903 1.00 0.00 C ATOM 0 H THR X 17 14.228 -4.989 6.864 1.00 0.00 H new ATOM 0 HA THR X 17 13.919 -2.147 7.509 1.00 0.00 H new ATOM 0 HB THR X 17 11.646 -3.904 8.298 1.00 0.00 H new ATOM 0 HG1 THR X 17 10.653 -3.569 6.231 1.00 0.00 H new ATOM 0 HG21 THR X 17 10.435 -1.787 7.853 1.00 0.00 H new ATOM 0 HG22 THR X 17 11.842 -1.505 8.906 1.00 0.00 H new ATOM 0 HG23 THR X 17 11.922 -1.078 7.180 1.00 0.00 H new ATOM 284 N THR X 18 14.484 -2.717 9.857 1.00 0.00 N ATOM 285 CA THR X 18 14.957 -3.059 11.193 1.00 0.00 C ATOM 286 C THR X 18 14.605 -1.965 12.187 1.00 0.00 C ATOM 287 O THR X 18 14.493 -0.793 11.826 1.00 0.00 O ATOM 288 CB THR X 18 16.474 -3.243 11.182 1.00 0.00 C ATOM 289 OG1 THR X 18 16.894 -3.633 9.882 1.00 0.00 O ATOM 290 CG2 THR X 18 16.868 -4.320 12.195 1.00 0.00 C ATOM 0 H THR X 18 14.536 -1.724 9.629 1.00 0.00 H new ATOM 0 HA THR X 18 14.471 -3.987 11.493 1.00 0.00 H new ATOM 0 HB THR X 18 16.956 -2.303 11.451 1.00 0.00 H new ATOM 0 HG1 THR X 18 17.637 -3.063 9.593 1.00 0.00 H new ATOM 0 HG21 THR X 18 17.950 -4.450 12.186 1.00 0.00 H new ATOM 0 HG22 THR X 18 16.547 -4.017 13.192 1.00 0.00 H new ATOM 0 HG23 THR X 18 16.387 -5.262 11.930 1.00 0.00 H new ATOM 298 N GLU X 19 14.450 -2.355 13.445 1.00 0.00 N ATOM 299 CA GLU X 19 14.130 -1.398 14.491 1.00 0.00 C ATOM 300 C GLU X 19 15.233 -1.380 15.540 1.00 0.00 C ATOM 301 O GLU X 19 15.615 -2.423 16.072 1.00 0.00 O ATOM 302 CB GLU X 19 12.801 -1.756 15.149 1.00 0.00 C ATOM 303 CG GLU X 19 12.000 -0.479 15.379 1.00 0.00 C ATOM 304 CD GLU X 19 10.770 -0.782 16.229 1.00 0.00 C ATOM 305 OE1 GLU X 19 10.779 -1.799 16.904 1.00 0.00 O ATOM 306 OE2 GLU X 19 9.837 0.003 16.190 1.00 0.00 O ATOM 0 H GLU X 19 14.540 -3.320 13.763 1.00 0.00 H new ATOM 0 HA GLU X 19 14.047 -0.409 14.041 1.00 0.00 H new ATOM 0 HB2 GLU X 19 12.240 -2.443 14.515 1.00 0.00 H new ATOM 0 HB3 GLU X 19 12.975 -2.267 16.096 1.00 0.00 H new ATOM 0 HG2 GLU X 19 12.622 0.266 15.876 1.00 0.00 H new ATOM 0 HG3 GLU X 19 11.696 -0.053 14.423 1.00 0.00 H new ATOM 313 N ALA X 20 15.751 -0.192 15.823 1.00 0.00 N ATOM 314 CA ALA X 20 16.822 -0.054 16.799 1.00 0.00 C ATOM 315 C ALA X 20 16.587 1.142 17.709 1.00 0.00 C ATOM 316 O ALA X 20 15.627 1.895 17.538 1.00 0.00 O ATOM 317 CB ALA X 20 18.156 0.128 16.080 1.00 0.00 C ATOM 0 H ALA X 20 15.450 0.683 15.394 1.00 0.00 H new ATOM 0 HA ALA X 20 16.840 -0.959 17.406 1.00 0.00 H new ATOM 0 HB1 ALA X 20 18.954 0.231 16.815 1.00 0.00 H new ATOM 0 HB2 ALA X 20 18.352 -0.740 15.451 1.00 0.00 H new ATOM 0 HB3 ALA X 20 18.116 1.024 15.460 1.00 0.00 H new ATOM 323 N VAL X 21 17.487 1.318 18.667 1.00 0.00 N ATOM 324 CA VAL X 21 17.393 2.432 19.595 1.00 0.00 C ATOM 325 C VAL X 21 17.748 3.721 18.879 1.00 0.00 C ATOM 326 O VAL X 21 17.160 4.773 19.132 1.00 0.00 O ATOM 327 CB VAL X 21 18.366 2.232 20.750 1.00 0.00 C ATOM 328 CG1 VAL X 21 18.028 3.210 21.878 1.00 0.00 C ATOM 329 CG2 VAL X 21 18.249 0.799 21.271 1.00 0.00 C ATOM 0 H VAL X 21 18.287 0.705 18.820 1.00 0.00 H new ATOM 0 HA VAL X 21 16.374 2.484 19.978 1.00 0.00 H new ATOM 0 HB VAL X 21 19.383 2.413 20.403 1.00 0.00 H new ATOM 0 HG11 VAL X 21 18.724 3.067 22.704 1.00 0.00 H new ATOM 0 HG12 VAL X 21 18.108 4.233 21.509 1.00 0.00 H new ATOM 0 HG13 VAL X 21 17.011 3.028 22.225 1.00 0.00 H new ATOM 0 HG21 VAL X 21 18.945 0.654 22.098 1.00 0.00 H new ATOM 0 HG22 VAL X 21 17.231 0.620 21.618 1.00 0.00 H new ATOM 0 HG23 VAL X 21 18.488 0.100 20.470 1.00 0.00 H new ATOM 339 N ASP X 22 18.720 3.626 17.986 1.00 0.00 N ATOM 340 CA ASP X 22 19.166 4.780 17.230 1.00 0.00 C ATOM 341 C ASP X 22 19.783 4.336 15.918 1.00 0.00 C ATOM 342 O ASP X 22 19.996 3.146 15.691 1.00 0.00 O ATOM 343 CB ASP X 22 20.201 5.566 18.036 1.00 0.00 C ATOM 344 CG ASP X 22 21.503 4.778 18.123 1.00 0.00 C ATOM 345 OD1 ASP X 22 22.007 4.387 17.083 1.00 0.00 O ATOM 346 OD2 ASP X 22 21.980 4.577 19.229 1.00 0.00 O ATOM 0 H ASP X 22 19.214 2.760 17.769 1.00 0.00 H new ATOM 0 HA ASP X 22 18.305 5.417 17.027 1.00 0.00 H new ATOM 0 HB2 ASP X 22 20.382 6.533 17.566 1.00 0.00 H new ATOM 0 HB3 ASP X 22 19.819 5.765 19.037 1.00 0.00 H new ATOM 351 N ALA X 23 20.068 5.303 15.054 1.00 0.00 N ATOM 352 CA ALA X 23 20.663 5.002 13.759 1.00 0.00 C ATOM 353 C ALA X 23 22.120 4.591 13.920 1.00 0.00 C ATOM 354 O ALA X 23 22.639 3.794 13.139 1.00 0.00 O ATOM 355 CB ALA X 23 20.572 6.229 12.850 1.00 0.00 C ATOM 0 H ALA X 23 19.898 6.294 15.225 1.00 0.00 H new ATOM 0 HA ALA X 23 20.115 4.174 13.310 1.00 0.00 H new ATOM 0 HB1 ALA X 23 21.018 5.999 11.883 1.00 0.00 H new ATOM 0 HB2 ALA X 23 19.526 6.502 12.711 1.00 0.00 H new ATOM 0 HB3 ALA X 23 21.107 7.061 13.308 1.00 0.00 H new ATOM 361 N ALA X 24 22.774 5.133 14.942 1.00 0.00 N ATOM 362 CA ALA X 24 24.170 4.805 15.191 1.00 0.00 C ATOM 363 C ALA X 24 24.317 3.299 15.355 1.00 0.00 C ATOM 364 O ALA X 24 25.302 2.707 14.916 1.00 0.00 O ATOM 365 CB ALA X 24 24.658 5.515 16.455 1.00 0.00 C ATOM 0 H ALA X 24 22.365 5.793 15.603 1.00 0.00 H new ATOM 0 HA ALA X 24 24.772 5.137 14.346 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.704 5.263 16.633 1.00 0.00 H new ATOM 0 HB2 ALA X 24 24.561 6.593 16.327 1.00 0.00 H new ATOM 0 HB3 ALA X 24 24.058 5.195 17.307 1.00 0.00 H new ATOM 371 N THR X 25 23.318 2.686 15.979 1.00 0.00 N ATOM 372 CA THR X 25 23.331 1.246 16.183 1.00 0.00 C ATOM 373 C THR X 25 22.978 0.524 14.886 1.00 0.00 C ATOM 374 O THR X 25 23.639 -0.439 14.497 1.00 0.00 O ATOM 375 CB THR X 25 22.324 0.863 17.271 1.00 0.00 C ATOM 376 OG1 THR X 25 21.047 1.387 16.934 1.00 0.00 O ATOM 377 CG2 THR X 25 22.776 1.436 18.615 1.00 0.00 C ATOM 0 H THR X 25 22.495 3.161 16.349 1.00 0.00 H new ATOM 0 HA THR X 25 24.332 0.949 16.495 1.00 0.00 H new ATOM 0 HB THR X 25 22.264 -0.223 17.346 1.00 0.00 H new ATOM 0 HG1 THR X 25 21.090 2.366 16.916 1.00 0.00 H new ATOM 0 HG21 THR X 25 22.058 1.162 19.388 1.00 0.00 H new ATOM 0 HG22 THR X 25 23.756 1.033 18.871 1.00 0.00 H new ATOM 0 HG23 THR X 25 22.837 2.522 18.545 1.00 0.00 H new ATOM 385 N ALA X 26 21.929 1.001 14.227 1.00 0.00 N ATOM 386 CA ALA X 26 21.481 0.402 12.974 1.00 0.00 C ATOM 387 C ALA X 26 22.508 0.623 11.868 1.00 0.00 C ATOM 388 O ALA X 26 22.722 -0.250 11.025 1.00 0.00 O ATOM 389 CB ALA X 26 20.141 1.011 12.556 1.00 0.00 C ATOM 0 H ALA X 26 21.374 1.798 14.537 1.00 0.00 H new ATOM 0 HA ALA X 26 21.363 -0.670 13.131 1.00 0.00 H new ATOM 0 HB1 ALA X 26 19.812 0.559 11.620 1.00 0.00 H new ATOM 0 HB2 ALA X 26 19.398 0.822 13.331 1.00 0.00 H new ATOM 0 HB3 ALA X 26 20.257 2.086 12.419 1.00 0.00 H new ATOM 395 N GLU X 27 23.127 1.799 11.863 1.00 0.00 N ATOM 396 CA GLU X 27 24.115 2.133 10.842 1.00 0.00 C ATOM 397 C GLU X 27 25.221 1.089 10.781 1.00 0.00 C ATOM 398 O GLU X 27 25.650 0.690 9.699 1.00 0.00 O ATOM 399 CB GLU X 27 24.741 3.490 11.150 1.00 0.00 C ATOM 400 CG GLU X 27 26.059 3.625 10.384 1.00 0.00 C ATOM 401 CD GLU X 27 26.436 5.096 10.249 1.00 0.00 C ATOM 402 OE1 GLU X 27 26.205 5.835 11.191 1.00 0.00 O ATOM 403 OE2 GLU X 27 26.950 5.461 9.205 1.00 0.00 O ATOM 0 H GLU X 27 22.963 2.534 12.551 1.00 0.00 H new ATOM 0 HA GLU X 27 23.602 2.161 9.881 1.00 0.00 H new ATOM 0 HB2 GLU X 27 24.058 4.291 10.866 1.00 0.00 H new ATOM 0 HB3 GLU X 27 24.918 3.587 12.221 1.00 0.00 H new ATOM 0 HG2 GLU X 27 26.849 3.085 10.906 1.00 0.00 H new ATOM 0 HG3 GLU X 27 25.963 3.174 9.396 1.00 0.00 H new ATOM 410 N LYS X 28 25.682 0.656 11.944 1.00 0.00 N ATOM 411 CA LYS X 28 26.744 -0.336 12.004 1.00 0.00 C ATOM 412 C LYS X 28 26.260 -1.671 11.451 1.00 0.00 C ATOM 413 O LYS X 28 26.951 -2.315 10.660 1.00 0.00 O ATOM 414 CB LYS X 28 27.199 -0.507 13.450 1.00 0.00 C ATOM 415 CG LYS X 28 27.693 0.835 13.990 1.00 0.00 C ATOM 416 CD LYS X 28 29.146 1.054 13.562 1.00 0.00 C ATOM 417 CE LYS X 28 29.389 2.544 13.317 1.00 0.00 C ATOM 418 NZ LYS X 28 28.434 3.344 14.136 1.00 0.00 N ATOM 0 H LYS X 28 25.341 0.972 12.852 1.00 0.00 H new ATOM 0 HA LYS X 28 27.582 0.006 11.396 1.00 0.00 H new ATOM 0 HB2 LYS X 28 26.375 -0.876 14.061 1.00 0.00 H new ATOM 0 HB3 LYS X 28 27.995 -1.249 13.507 1.00 0.00 H new ATOM 0 HG2 LYS X 28 27.066 1.643 13.614 1.00 0.00 H new ATOM 0 HG3 LYS X 28 27.616 0.852 15.077 1.00 0.00 H new ATOM 0 HD2 LYS X 28 29.822 0.687 14.334 1.00 0.00 H new ATOM 0 HD3 LYS X 28 29.358 0.487 12.656 1.00 0.00 H new ATOM 0 HE2 LYS X 28 30.415 2.804 13.578 1.00 0.00 H new ATOM 0 HE3 LYS X 28 29.261 2.775 12.260 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 28.796 4.313 14.244 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 27.508 3.371 13.662 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 28.330 2.907 15.074 1.00 0.00 H new ATOM 432 N VAL X 29 25.066 -2.077 11.866 1.00 0.00 N ATOM 433 CA VAL X 29 24.491 -3.332 11.402 1.00 0.00 C ATOM 434 C VAL X 29 24.109 -3.227 9.930 1.00 0.00 C ATOM 435 O VAL X 29 24.296 -4.167 9.159 1.00 0.00 O ATOM 436 CB VAL X 29 23.252 -3.674 12.230 1.00 0.00 C ATOM 437 CG1 VAL X 29 22.436 -4.751 11.513 1.00 0.00 C ATOM 438 CG2 VAL X 29 23.688 -4.194 13.602 1.00 0.00 C ATOM 0 H VAL X 29 24.480 -1.558 12.520 1.00 0.00 H new ATOM 0 HA VAL X 29 25.234 -4.121 11.520 1.00 0.00 H new ATOM 0 HB VAL X 29 22.640 -2.781 12.354 1.00 0.00 H new ATOM 0 HG11 VAL X 29 21.553 -4.993 12.105 1.00 0.00 H new ATOM 0 HG12 VAL X 29 22.127 -4.382 10.535 1.00 0.00 H new ATOM 0 HG13 VAL X 29 23.045 -5.646 11.387 1.00 0.00 H new ATOM 0 HG21 VAL X 29 22.807 -4.439 14.195 1.00 0.00 H new ATOM 0 HG22 VAL X 29 24.300 -5.087 13.475 1.00 0.00 H new ATOM 0 HG23 VAL X 29 24.268 -3.427 14.114 1.00 0.00 H new ATOM 448 N PHE X 30 23.567 -2.075 9.552 1.00 0.00 N ATOM 449 CA PHE X 30 23.150 -1.848 8.173 1.00 0.00 C ATOM 450 C PHE X 30 24.339 -1.930 7.230 1.00 0.00 C ATOM 451 O PHE X 30 24.265 -2.550 6.169 1.00 0.00 O ATOM 452 CB PHE X 30 22.524 -0.464 8.048 1.00 0.00 C ATOM 453 CG PHE X 30 21.083 -0.504 8.495 1.00 0.00 C ATOM 454 CD1 PHE X 30 20.669 -1.414 9.479 1.00 0.00 C ATOM 455 CD2 PHE X 30 20.155 0.375 7.924 1.00 0.00 C ATOM 456 CE1 PHE X 30 19.330 -1.441 9.888 1.00 0.00 C ATOM 457 CE2 PHE X 30 18.817 0.347 8.333 1.00 0.00 C ATOM 458 CZ PHE X 30 18.405 -0.562 9.315 1.00 0.00 C ATOM 0 H PHE X 30 23.406 -1.286 10.178 1.00 0.00 H new ATOM 0 HA PHE X 30 22.426 -2.617 7.905 1.00 0.00 H new ATOM 0 HB2 PHE X 30 23.081 0.251 8.653 1.00 0.00 H new ATOM 0 HB3 PHE X 30 22.583 -0.122 7.015 1.00 0.00 H new ATOM 0 HD1 PHE X 30 21.383 -2.094 9.921 1.00 0.00 H new ATOM 0 HD2 PHE X 30 20.472 1.076 7.166 1.00 0.00 H new ATOM 0 HE1 PHE X 30 19.011 -2.141 10.646 1.00 0.00 H new ATOM 0 HE2 PHE X 30 18.103 1.026 7.891 1.00 0.00 H new ATOM 0 HZ PHE X 30 17.372 -0.585 9.630 1.00 0.00 H new ATOM 468 N LYS X 31 25.436 -1.301 7.627 1.00 0.00 N ATOM 469 CA LYS X 31 26.639 -1.305 6.813 1.00 0.00 C ATOM 470 C LYS X 31 27.088 -2.737 6.568 1.00 0.00 C ATOM 471 O LYS X 31 27.678 -3.047 5.532 1.00 0.00 O ATOM 472 CB LYS X 31 27.742 -0.517 7.514 1.00 0.00 C ATOM 473 CG LYS X 31 27.274 0.928 7.710 1.00 0.00 C ATOM 474 CD LYS X 31 27.961 1.826 6.677 1.00 0.00 C ATOM 475 CE LYS X 31 27.166 3.123 6.514 1.00 0.00 C ATOM 476 NZ LYS X 31 27.911 4.051 5.616 1.00 0.00 N ATOM 0 H LYS X 31 25.516 -0.785 8.503 1.00 0.00 H new ATOM 0 HA LYS X 31 26.427 -0.833 5.854 1.00 0.00 H new ATOM 0 HB2 LYS X 31 27.975 -0.971 8.477 1.00 0.00 H new ATOM 0 HB3 LYS X 31 28.656 -0.540 6.921 1.00 0.00 H new ATOM 0 HG2 LYS X 31 26.191 0.990 7.600 1.00 0.00 H new ATOM 0 HG3 LYS X 31 27.512 1.266 8.719 1.00 0.00 H new ATOM 0 HD2 LYS X 31 28.979 2.049 6.995 1.00 0.00 H new ATOM 0 HD3 LYS X 31 28.032 1.308 5.720 1.00 0.00 H new ATOM 0 HE2 LYS X 31 26.181 2.909 6.098 1.00 0.00 H new ATOM 0 HE3 LYS X 31 27.007 3.590 7.486 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 27.372 4.933 5.504 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 28.841 4.264 6.031 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 28.041 3.604 4.686 1.00 0.00 H new ATOM 490 N GLN X 32 26.787 -3.610 7.521 1.00 0.00 N ATOM 491 CA GLN X 32 27.148 -5.013 7.391 1.00 0.00 C ATOM 492 C GLN X 32 26.436 -5.621 6.190 1.00 0.00 C ATOM 493 O GLN X 32 26.962 -6.517 5.529 1.00 0.00 O ATOM 494 CB GLN X 32 26.768 -5.784 8.656 1.00 0.00 C ATOM 495 CG GLN X 32 27.322 -7.207 8.565 1.00 0.00 C ATOM 496 CD GLN X 32 28.845 -7.180 8.628 1.00 0.00 C ATOM 497 OE1 GLN X 32 29.420 -7.045 9.709 1.00 0.00 O ATOM 498 NE2 GLN X 32 29.537 -7.298 7.528 1.00 0.00 N ATOM 0 H GLN X 32 26.298 -3.373 8.384 1.00 0.00 H new ATOM 0 HA GLN X 32 28.226 -5.081 7.248 1.00 0.00 H new ATOM 0 HB2 GLN X 32 27.168 -5.281 9.536 1.00 0.00 H new ATOM 0 HB3 GLN X 32 25.684 -5.810 8.769 1.00 0.00 H new ATOM 0 HG2 GLN X 32 26.927 -7.812 9.381 1.00 0.00 H new ATOM 0 HG3 GLN X 32 26.997 -7.674 7.635 1.00 0.00 H new ATOM 0 HE21 GLN X 32 29.059 -7.410 6.634 1.00 0.00 H new ATOM 0 HE22 GLN X 32 30.556 -7.279 7.562 1.00 0.00 H new ATOM 507 N TYR X 33 25.237 -5.120 5.914 1.00 0.00 N ATOM 508 CA TYR X 33 24.454 -5.609 4.788 1.00 0.00 C ATOM 509 C TYR X 33 25.219 -5.395 3.488 1.00 0.00 C ATOM 510 O TYR X 33 25.330 -6.302 2.663 1.00 0.00 O ATOM 511 CB TYR X 33 23.125 -4.858 4.724 1.00 0.00 C ATOM 512 CG TYR X 33 22.080 -5.723 4.063 1.00 0.00 C ATOM 513 CD1 TYR X 33 22.286 -6.203 2.764 1.00 0.00 C ATOM 514 CD2 TYR X 33 20.902 -6.037 4.749 1.00 0.00 C ATOM 515 CE1 TYR X 33 21.311 -6.999 2.152 1.00 0.00 C ATOM 516 CE2 TYR X 33 19.928 -6.833 4.137 1.00 0.00 C ATOM 517 CZ TYR X 33 20.132 -7.314 2.838 1.00 0.00 C ATOM 518 OH TYR X 33 19.171 -8.099 2.236 1.00 0.00 O ATOM 0 H TYR X 33 24.789 -4.379 6.453 1.00 0.00 H new ATOM 0 HA TYR X 33 24.267 -6.674 4.922 1.00 0.00 H new ATOM 0 HB2 TYR X 33 22.802 -4.586 5.729 1.00 0.00 H new ATOM 0 HB3 TYR X 33 23.248 -3.930 4.166 1.00 0.00 H new ATOM 0 HD1 TYR X 33 23.196 -5.959 2.235 1.00 0.00 H new ATOM 0 HD2 TYR X 33 20.745 -5.665 5.751 1.00 0.00 H new ATOM 0 HE1 TYR X 33 21.468 -7.370 1.150 1.00 0.00 H new ATOM 0 HE2 TYR X 33 19.019 -7.077 4.666 1.00 0.00 H new ATOM 0 HH TYR X 33 18.417 -8.222 2.850 1.00 0.00 H new ATOM 528 N ALA X 34 25.755 -4.192 3.319 1.00 0.00 N ATOM 529 CA ALA X 34 26.521 -3.872 2.123 1.00 0.00 C ATOM 530 C ALA X 34 27.811 -4.682 2.107 1.00 0.00 C ATOM 531 O ALA X 34 28.163 -5.292 1.098 1.00 0.00 O ATOM 532 CB ALA X 34 26.851 -2.381 2.097 1.00 0.00 C ATOM 0 H ALA X 34 25.674 -3.428 3.990 1.00 0.00 H new ATOM 0 HA ALA X 34 25.927 -4.121 1.244 1.00 0.00 H new ATOM 0 HB1 ALA X 34 27.424 -2.151 1.199 1.00 0.00 H new ATOM 0 HB2 ALA X 34 25.926 -1.804 2.095 1.00 0.00 H new ATOM 0 HB3 ALA X 34 27.438 -2.123 2.978 1.00 0.00 H new ATOM 538 N ASN X 35 28.502 -4.692 3.242 1.00 0.00 N ATOM 539 CA ASN X 35 29.744 -5.440 3.359 1.00 0.00 C ATOM 540 C ASN X 35 29.461 -6.932 3.241 1.00 0.00 C ATOM 541 O ASN X 35 30.180 -7.659 2.556 1.00 0.00 O ATOM 542 CB ASN X 35 30.409 -5.149 4.705 1.00 0.00 C ATOM 543 CG ASN X 35 31.664 -6.001 4.861 1.00 0.00 C ATOM 544 OD1 ASN X 35 32.140 -6.590 3.891 1.00 0.00 O ATOM 545 ND2 ASN X 35 32.231 -6.104 6.032 1.00 0.00 N ATOM 0 H ASN X 35 28.224 -4.194 4.087 1.00 0.00 H new ATOM 0 HA ASN X 35 30.416 -5.135 2.557 1.00 0.00 H new ATOM 0 HB2 ASN X 35 30.666 -4.092 4.772 1.00 0.00 H new ATOM 0 HB3 ASN X 35 29.713 -5.360 5.517 1.00 0.00 H new ATOM 0 HD21 ASN X 35 33.070 -6.673 6.144 1.00 0.00 H new ATOM 0 HD22 ASN X 35 31.835 -5.615 6.835 1.00 0.00 H new ATOM 552 N ASP X 36 28.395 -7.379 3.903 1.00 0.00 N ATOM 553 CA ASP X 36 28.014 -8.785 3.852 1.00 0.00 C ATOM 554 C ASP X 36 27.656 -9.154 2.422 1.00 0.00 C ATOM 555 O ASP X 36 27.809 -10.301 2.001 1.00 0.00 O ATOM 556 CB ASP X 36 26.814 -9.044 4.767 1.00 0.00 C ATOM 557 CG ASP X 36 26.253 -10.437 4.504 1.00 0.00 C ATOM 558 OD1 ASP X 36 26.985 -11.395 4.694 1.00 0.00 O ATOM 559 OD2 ASP X 36 25.100 -10.527 4.118 1.00 0.00 O ATOM 0 H ASP X 36 27.787 -6.793 4.475 1.00 0.00 H new ATOM 0 HA ASP X 36 28.851 -9.395 4.192 1.00 0.00 H new ATOM 0 HB2 ASP X 36 27.115 -8.955 5.811 1.00 0.00 H new ATOM 0 HB3 ASP X 36 26.043 -8.293 4.592 1.00 0.00 H new ATOM 564 N ASN X 37 27.193 -8.158 1.677 1.00 0.00 N ATOM 565 CA ASN X 37 26.821 -8.334 0.282 1.00 0.00 C ATOM 566 C ASN X 37 27.693 -7.421 -0.571 1.00 0.00 C ATOM 567 O ASN X 37 27.187 -6.637 -1.373 1.00 0.00 O ATOM 568 CB ASN X 37 25.343 -7.997 0.075 1.00 0.00 C ATOM 569 CG ASN X 37 24.471 -9.087 0.692 1.00 0.00 C ATOM 570 OD1 ASN X 37 23.940 -8.911 1.789 1.00 0.00 O ATOM 571 ND2 ASN X 37 24.292 -10.208 0.049 1.00 0.00 N ATOM 0 H ASN X 37 27.066 -7.207 2.024 1.00 0.00 H new ATOM 0 HA ASN X 37 26.973 -9.373 -0.010 1.00 0.00 H new ATOM 0 HB2 ASN X 37 25.113 -7.034 0.531 1.00 0.00 H new ATOM 0 HB3 ASN X 37 25.127 -7.906 -0.990 1.00 0.00 H new ATOM 0 HD21 ASN X 37 23.711 -10.942 0.455 1.00 0.00 H new ATOM 0 HD22 ASN X 37 24.733 -10.351 -0.860 1.00 0.00 H new ATOM 578 N GLY X 38 29.009 -7.539 -0.377 1.00 0.00 N ATOM 579 CA GLY X 38 29.985 -6.735 -1.111 1.00 0.00 C ATOM 580 C GLY X 38 29.314 -5.754 -2.064 1.00 0.00 C ATOM 581 O GLY X 38 29.495 -5.836 -3.278 1.00 0.00 O ATOM 0 H GLY X 38 29.424 -8.190 0.289 1.00 0.00 H new ATOM 0 HA2 GLY X 38 30.607 -6.186 -0.404 1.00 0.00 H new ATOM 0 HA3 GLY X 38 30.647 -7.393 -1.674 1.00 0.00 H new ATOM 585 N VAL X 39 28.540 -4.827 -1.511 1.00 0.00 N ATOM 586 CA VAL X 39 27.852 -3.842 -2.333 1.00 0.00 C ATOM 587 C VAL X 39 28.670 -2.560 -2.435 1.00 0.00 C ATOM 588 O VAL X 39 29.077 -1.989 -1.423 1.00 0.00 O ATOM 589 CB VAL X 39 26.480 -3.520 -1.739 1.00 0.00 C ATOM 590 CG1 VAL X 39 25.882 -2.312 -2.461 1.00 0.00 C ATOM 591 CG2 VAL X 39 25.551 -4.724 -1.913 1.00 0.00 C ATOM 0 H VAL X 39 28.375 -4.738 -0.508 1.00 0.00 H new ATOM 0 HA VAL X 39 27.726 -4.264 -3.330 1.00 0.00 H new ATOM 0 HB VAL X 39 26.590 -3.294 -0.678 1.00 0.00 H new ATOM 0 HG11 VAL X 39 24.904 -2.083 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL X 39 26.541 -1.452 -2.339 1.00 0.00 H new ATOM 0 HG13 VAL X 39 25.774 -2.539 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL X 39 24.573 -4.494 -1.489 1.00 0.00 H new ATOM 0 HG22 VAL X 39 25.443 -4.950 -2.974 1.00 0.00 H new ATOM 0 HG23 VAL X 39 25.974 -5.587 -1.400 1.00 0.00 H new ATOM 601 N ASP X 40 28.897 -2.109 -3.663 1.00 0.00 N ATOM 602 CA ASP X 40 29.658 -0.886 -3.883 1.00 0.00 C ATOM 603 C ASP X 40 28.818 0.122 -4.659 1.00 0.00 C ATOM 604 O ASP X 40 28.578 -0.045 -5.854 1.00 0.00 O ATOM 605 CB ASP X 40 30.939 -1.197 -4.659 1.00 0.00 C ATOM 606 CG ASP X 40 32.031 -0.201 -4.284 1.00 0.00 C ATOM 607 OD1 ASP X 40 32.015 0.267 -3.158 1.00 0.00 O ATOM 608 OD2 ASP X 40 32.867 0.077 -5.128 1.00 0.00 O ATOM 0 H ASP X 40 28.569 -2.567 -4.513 1.00 0.00 H new ATOM 0 HA ASP X 40 29.922 -0.459 -2.915 1.00 0.00 H new ATOM 0 HB2 ASP X 40 31.270 -2.212 -4.439 1.00 0.00 H new ATOM 0 HB3 ASP X 40 30.745 -1.150 -5.731 1.00 0.00 H new ATOM 613 N GLY X 41 28.373 1.166 -3.969 1.00 0.00 N ATOM 614 CA GLY X 41 27.556 2.193 -4.602 1.00 0.00 C ATOM 615 C GLY X 41 27.639 3.501 -3.835 1.00 0.00 C ATOM 616 O GLY X 41 28.633 3.779 -3.166 1.00 0.00 O ATOM 0 H GLY X 41 28.562 1.323 -2.979 1.00 0.00 H new ATOM 0 HA2 GLY X 41 27.889 2.347 -5.628 1.00 0.00 H new ATOM 0 HA3 GLY X 41 26.519 1.860 -4.650 1.00 0.00 H new ATOM 620 N GLU X 42 26.580 4.293 -3.922 1.00 0.00 N ATOM 621 CA GLU X 42 26.536 5.562 -3.216 1.00 0.00 C ATOM 622 C GLU X 42 25.672 5.418 -1.974 1.00 0.00 C ATOM 623 O GLU X 42 24.599 4.816 -2.016 1.00 0.00 O ATOM 624 CB GLU X 42 25.972 6.658 -4.120 1.00 0.00 C ATOM 625 CG GLU X 42 26.368 8.028 -3.566 1.00 0.00 C ATOM 626 CD GLU X 42 25.821 9.133 -4.464 1.00 0.00 C ATOM 627 OE1 GLU X 42 25.029 8.822 -5.338 1.00 0.00 O ATOM 628 OE2 GLU X 42 26.203 10.275 -4.263 1.00 0.00 O ATOM 0 H GLU X 42 25.747 4.080 -4.470 1.00 0.00 H new ATOM 0 HA GLU X 42 27.549 5.842 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU X 42 26.353 6.540 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU X 42 24.887 6.576 -4.176 1.00 0.00 H new ATOM 0 HG2 GLU X 42 25.981 8.146 -2.554 1.00 0.00 H new ATOM 0 HG3 GLU X 42 27.454 8.104 -3.503 1.00 0.00 H new ATOM 635 N TRP X 43 26.147 5.972 -0.873 1.00 0.00 N ATOM 636 CA TRP X 43 25.409 5.895 0.372 1.00 0.00 C ATOM 637 C TRP X 43 24.912 7.273 0.787 1.00 0.00 C ATOM 638 O TRP X 43 25.609 8.274 0.617 1.00 0.00 O ATOM 639 CB TRP X 43 26.292 5.329 1.478 1.00 0.00 C ATOM 640 CG TRP X 43 25.464 4.456 2.356 1.00 0.00 C ATOM 641 CD1 TRP X 43 24.384 4.860 3.059 1.00 0.00 C ATOM 642 CD2 TRP X 43 25.623 3.038 2.625 1.00 0.00 C ATOM 643 NE1 TRP X 43 23.871 3.776 3.752 1.00 0.00 N ATOM 644 CE2 TRP X 43 24.602 2.629 3.513 1.00 0.00 C ATOM 645 CE3 TRP X 43 26.548 2.080 2.187 1.00 0.00 C ATOM 646 CZ2 TRP X 43 24.504 1.310 3.954 1.00 0.00 C ATOM 647 CZ3 TRP X 43 26.454 0.754 2.624 1.00 0.00 C ATOM 648 CH2 TRP X 43 25.435 0.367 3.507 1.00 0.00 C ATOM 0 H TRP X 43 27.032 6.475 -0.816 1.00 0.00 H new ATOM 0 HA TRP X 43 24.554 5.237 0.216 1.00 0.00 H new ATOM 0 HB2 TRP X 43 27.116 4.759 1.048 1.00 0.00 H new ATOM 0 HB3 TRP X 43 26.734 6.138 2.059 1.00 0.00 H new ATOM 0 HD1 TRP X 43 23.986 5.864 3.078 1.00 0.00 H new ATOM 0 HE1 TRP X 43 23.055 3.819 4.363 1.00 0.00 H new ATOM 0 HE3 TRP X 43 27.338 2.367 1.508 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 23.717 1.019 4.634 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 27.171 0.024 2.279 1.00 0.00 H new ATOM 0 HH2 TRP X 43 25.370 -0.658 3.841 1.00 0.00 H new ATOM 659 N THR X 44 23.706 7.314 1.337 1.00 0.00 N ATOM 660 CA THR X 44 23.123 8.571 1.782 1.00 0.00 C ATOM 661 C THR X 44 22.567 8.427 3.191 1.00 0.00 C ATOM 662 O THR X 44 22.152 7.341 3.598 1.00 0.00 O ATOM 663 CB THR X 44 21.999 8.995 0.835 1.00 0.00 C ATOM 664 OG1 THR X 44 20.756 8.534 1.344 1.00 0.00 O ATOM 665 CG2 THR X 44 22.241 8.391 -0.550 1.00 0.00 C ATOM 0 H THR X 44 23.115 6.496 1.485 1.00 0.00 H new ATOM 0 HA THR X 44 23.904 9.331 1.781 1.00 0.00 H new ATOM 0 HB THR X 44 21.980 10.082 0.756 1.00 0.00 H new ATOM 0 HG1 THR X 44 20.034 8.806 0.740 1.00 0.00 H new ATOM 0 HG21 THR X 44 21.440 8.694 -1.224 1.00 0.00 H new ATOM 0 HG22 THR X 44 23.196 8.745 -0.939 1.00 0.00 H new ATOM 0 HG23 THR X 44 22.260 7.304 -0.474 1.00 0.00 H new ATOM 673 N TYR X 45 22.555 9.529 3.930 1.00 0.00 N ATOM 674 CA TYR X 45 22.041 9.515 5.292 1.00 0.00 C ATOM 675 C TYR X 45 21.296 10.811 5.589 1.00 0.00 C ATOM 676 O TYR X 45 21.849 11.902 5.452 1.00 0.00 O ATOM 677 CB TYR X 45 23.192 9.344 6.285 1.00 0.00 C ATOM 678 CG TYR X 45 22.723 9.723 7.670 1.00 0.00 C ATOM 679 CD1 TYR X 45 21.514 9.217 8.161 1.00 0.00 C ATOM 680 CD2 TYR X 45 23.497 10.579 8.461 1.00 0.00 C ATOM 681 CE1 TYR X 45 21.080 9.568 9.446 1.00 0.00 C ATOM 682 CE2 TYR X 45 23.063 10.929 9.744 1.00 0.00 C ATOM 683 CZ TYR X 45 21.854 10.425 10.237 1.00 0.00 C ATOM 684 OH TYR X 45 21.425 10.770 11.501 1.00 0.00 O ATOM 0 H TYR X 45 22.893 10.437 3.612 1.00 0.00 H new ATOM 0 HA TYR X 45 21.351 8.678 5.394 1.00 0.00 H new ATOM 0 HB2 TYR X 45 23.542 8.312 6.278 1.00 0.00 H new ATOM 0 HB3 TYR X 45 24.036 9.969 5.991 1.00 0.00 H new ATOM 0 HD1 TYR X 45 20.916 8.557 7.550 1.00 0.00 H new ATOM 0 HD2 TYR X 45 24.429 10.970 8.081 1.00 0.00 H new ATOM 0 HE1 TYR X 45 20.148 9.177 9.826 1.00 0.00 H new ATOM 0 HE2 TYR X 45 23.661 11.589 10.355 1.00 0.00 H new ATOM 0 HH TYR X 45 22.079 11.371 11.916 1.00 0.00 H new ATOM 694 N ASP X 46 20.038 10.684 5.998 1.00 0.00 N ATOM 695 CA ASP X 46 19.225 11.852 6.314 1.00 0.00 C ATOM 696 C ASP X 46 18.838 11.843 7.789 1.00 0.00 C ATOM 697 O ASP X 46 18.404 10.821 8.319 1.00 0.00 O ATOM 698 CB ASP X 46 17.962 11.860 5.451 1.00 0.00 C ATOM 699 CG ASP X 46 18.279 11.324 4.059 1.00 0.00 C ATOM 700 OD1 ASP X 46 18.338 10.114 3.911 1.00 0.00 O ATOM 701 OD2 ASP X 46 18.457 12.130 3.161 1.00 0.00 O ATOM 0 H ASP X 46 19.562 9.790 6.118 1.00 0.00 H new ATOM 0 HA ASP X 46 19.808 12.749 6.106 1.00 0.00 H new ATOM 0 HB2 ASP X 46 17.189 11.250 5.918 1.00 0.00 H new ATOM 0 HB3 ASP X 46 17.567 12.873 5.378 1.00 0.00 H new ATOM 706 N ASP X 47 19.000 12.986 8.447 1.00 0.00 N ATOM 707 CA ASP X 47 18.665 13.093 9.862 1.00 0.00 C ATOM 708 C ASP X 47 17.157 13.213 10.049 1.00 0.00 C ATOM 709 O ASP X 47 16.601 12.737 11.040 1.00 0.00 O ATOM 710 CB ASP X 47 19.351 14.321 10.463 1.00 0.00 C ATOM 711 CG ASP X 47 19.094 15.542 9.587 1.00 0.00 C ATOM 712 OD1 ASP X 47 19.847 15.740 8.647 1.00 0.00 O ATOM 713 OD2 ASP X 47 18.150 16.260 9.866 1.00 0.00 O ATOM 0 H ASP X 47 19.358 13.844 8.028 1.00 0.00 H new ATOM 0 HA ASP X 47 19.012 12.192 10.369 1.00 0.00 H new ATOM 0 HB2 ASP X 47 18.976 14.501 11.471 1.00 0.00 H new ATOM 0 HB3 ASP X 47 20.423 14.144 10.549 1.00 0.00 H new ATOM 718 N ALA X 48 16.503 13.856 9.088 1.00 0.00 N ATOM 719 CA ALA X 48 15.057 14.040 9.149 1.00 0.00 C ATOM 720 C ALA X 48 14.344 12.739 8.802 1.00 0.00 C ATOM 721 O ALA X 48 13.265 12.453 9.320 1.00 0.00 O ATOM 722 CB ALA X 48 14.627 15.138 8.175 1.00 0.00 C ATOM 0 H ALA X 48 16.948 14.257 8.262 1.00 0.00 H new ATOM 0 HA ALA X 48 14.786 14.333 10.163 1.00 0.00 H new ATOM 0 HB1 ALA X 48 13.546 15.268 8.228 1.00 0.00 H new ATOM 0 HB2 ALA X 48 15.119 16.074 8.441 1.00 0.00 H new ATOM 0 HB3 ALA X 48 14.910 14.856 7.161 1.00 0.00 H new ATOM 728 N THR X 49 14.958 11.955 7.924 1.00 0.00 N ATOM 729 CA THR X 49 14.377 10.684 7.514 1.00 0.00 C ATOM 730 C THR X 49 15.106 9.525 8.184 1.00 0.00 C ATOM 731 O THR X 49 14.747 8.364 7.994 1.00 0.00 O ATOM 732 CB THR X 49 14.464 10.534 5.993 1.00 0.00 C ATOM 733 OG1 THR X 49 14.803 11.787 5.415 1.00 0.00 O ATOM 734 CG2 THR X 49 13.115 10.065 5.446 1.00 0.00 C ATOM 0 H THR X 49 15.852 12.175 7.485 1.00 0.00 H new ATOM 0 HA THR X 49 13.331 10.668 7.819 1.00 0.00 H new ATOM 0 HB THR X 49 15.229 9.799 5.743 1.00 0.00 H new ATOM 0 HG1 THR X 49 14.861 11.693 4.441 1.00 0.00 H new ATOM 0 HG21 THR X 49 13.179 9.959 4.363 1.00 0.00 H new ATOM 0 HG22 THR X 49 12.856 9.104 5.890 1.00 0.00 H new ATOM 0 HG23 THR X 49 12.347 10.798 5.694 1.00 0.00 H new ATOM 742 N LYS X 50 16.136 9.853 8.963 1.00 0.00 N ATOM 743 CA LYS X 50 16.919 8.834 9.656 1.00 0.00 C ATOM 744 C LYS X 50 16.852 7.509 8.912 1.00 0.00 C ATOM 745 O LYS X 50 16.572 6.465 9.502 1.00 0.00 O ATOM 746 CB LYS X 50 16.403 8.653 11.084 1.00 0.00 C ATOM 747 CG LYS X 50 15.143 7.783 11.078 1.00 0.00 C ATOM 748 CD LYS X 50 14.119 8.367 12.050 1.00 0.00 C ATOM 749 CE LYS X 50 14.706 8.378 13.462 1.00 0.00 C ATOM 750 NZ LYS X 50 15.419 7.095 13.713 1.00 0.00 N ATOM 0 H LYS X 50 16.445 10.811 9.129 1.00 0.00 H new ATOM 0 HA LYS X 50 17.957 9.164 9.690 1.00 0.00 H new ATOM 0 HB2 LYS X 50 17.172 8.189 11.702 1.00 0.00 H new ATOM 0 HB3 LYS X 50 16.182 9.625 11.526 1.00 0.00 H new ATOM 0 HG2 LYS X 50 14.723 7.739 10.073 1.00 0.00 H new ATOM 0 HG3 LYS X 50 15.392 6.761 11.365 1.00 0.00 H new ATOM 0 HD2 LYS X 50 13.851 9.379 11.748 1.00 0.00 H new ATOM 0 HD3 LYS X 50 13.204 7.776 12.030 1.00 0.00 H new ATOM 0 HE2 LYS X 50 15.393 9.216 13.575 1.00 0.00 H new ATOM 0 HE3 LYS X 50 13.912 8.515 14.196 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 15.641 7.014 14.726 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 14.814 6.300 13.426 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 16.301 7.075 13.163 1.00 0.00 H new ATOM 764 N THR X 51 17.107 7.559 7.612 1.00 0.00 N ATOM 765 CA THR X 51 17.069 6.362 6.790 1.00 0.00 C ATOM 766 C THR X 51 18.382 6.188 6.036 1.00 0.00 C ATOM 767 O THR X 51 18.992 7.163 5.599 1.00 0.00 O ATOM 768 CB THR X 51 15.914 6.459 5.792 1.00 0.00 C ATOM 769 OG1 THR X 51 14.694 6.151 6.452 1.00 0.00 O ATOM 770 CG2 THR X 51 16.141 5.470 4.648 1.00 0.00 C ATOM 0 H THR X 51 17.342 8.414 7.107 1.00 0.00 H new ATOM 0 HA THR X 51 16.921 5.499 7.439 1.00 0.00 H new ATOM 0 HB THR X 51 15.865 7.471 5.389 1.00 0.00 H new ATOM 0 HG1 THR X 51 14.423 6.910 7.009 1.00 0.00 H new ATOM 0 HG21 THR X 51 15.317 5.540 3.938 1.00 0.00 H new ATOM 0 HG22 THR X 51 17.077 5.707 4.143 1.00 0.00 H new ATOM 0 HG23 THR X 51 16.191 4.457 5.047 1.00 0.00 H new ATOM 778 N PHE X 52 18.809 4.939 5.884 1.00 0.00 N ATOM 779 CA PHE X 52 20.049 4.647 5.176 1.00 0.00 C ATOM 780 C PHE X 52 19.767 3.811 3.933 1.00 0.00 C ATOM 781 O PHE X 52 19.030 2.827 3.988 1.00 0.00 O ATOM 782 CB PHE X 52 21.008 3.889 6.097 1.00 0.00 C ATOM 783 CG PHE X 52 21.781 4.876 6.937 1.00 0.00 C ATOM 784 CD1 PHE X 52 21.147 5.548 7.989 1.00 0.00 C ATOM 785 CD2 PHE X 52 23.132 5.121 6.663 1.00 0.00 C ATOM 786 CE1 PHE X 52 21.862 6.465 8.766 1.00 0.00 C ATOM 787 CE2 PHE X 52 23.848 6.039 7.441 1.00 0.00 C ATOM 788 CZ PHE X 52 23.213 6.711 8.492 1.00 0.00 C ATOM 0 H PHE X 52 18.318 4.118 6.239 1.00 0.00 H new ATOM 0 HA PHE X 52 20.506 5.589 4.872 1.00 0.00 H new ATOM 0 HB2 PHE X 52 20.450 3.207 6.739 1.00 0.00 H new ATOM 0 HB3 PHE X 52 21.694 3.282 5.506 1.00 0.00 H new ATOM 0 HD1 PHE X 52 20.105 5.358 8.201 1.00 0.00 H new ATOM 0 HD2 PHE X 52 23.622 4.602 5.852 1.00 0.00 H new ATOM 0 HE1 PHE X 52 21.372 6.983 9.577 1.00 0.00 H new ATOM 0 HE2 PHE X 52 24.890 6.229 7.230 1.00 0.00 H new ATOM 0 HZ PHE X 52 23.765 7.419 9.092 1.00 0.00 H new ATOM 798 N THR X 53 20.352 4.217 2.813 1.00 0.00 N ATOM 799 CA THR X 53 20.155 3.508 1.554 1.00 0.00 C ATOM 800 C THR X 53 21.448 3.482 0.749 1.00 0.00 C ATOM 801 O THR X 53 22.299 4.361 0.898 1.00 0.00 O ATOM 802 CB THR X 53 19.063 4.205 0.737 1.00 0.00 C ATOM 803 OG1 THR X 53 17.788 3.745 1.164 1.00 0.00 O ATOM 804 CG2 THR X 53 19.249 3.889 -0.748 1.00 0.00 C ATOM 0 H THR X 53 20.964 5.030 2.750 1.00 0.00 H new ATOM 0 HA THR X 53 19.855 2.484 1.774 1.00 0.00 H new ATOM 0 HB THR X 53 19.131 5.282 0.887 1.00 0.00 H new ATOM 0 HG1 THR X 53 17.856 3.392 2.076 1.00 0.00 H new ATOM 0 HG21 THR X 53 18.470 4.387 -1.326 1.00 0.00 H new ATOM 0 HG22 THR X 53 20.226 4.243 -1.076 1.00 0.00 H new ATOM 0 HG23 THR X 53 19.183 2.812 -0.902 1.00 0.00 H new ATOM 812 N VAL X 54 21.590 2.480 -0.111 1.00 0.00 N ATOM 813 CA VAL X 54 22.784 2.366 -0.939 1.00 0.00 C ATOM 814 C VAL X 54 22.393 2.173 -2.400 1.00 0.00 C ATOM 815 O VAL X 54 21.649 1.253 -2.736 1.00 0.00 O ATOM 816 CB VAL X 54 23.636 1.184 -0.471 1.00 0.00 C ATOM 817 CG1 VAL X 54 25.111 1.589 -0.466 1.00 0.00 C ATOM 818 CG2 VAL X 54 23.213 0.782 0.944 1.00 0.00 C ATOM 0 H VAL X 54 20.901 1.742 -0.252 1.00 0.00 H new ATOM 0 HA VAL X 54 23.364 3.284 -0.845 1.00 0.00 H new ATOM 0 HB VAL X 54 23.493 0.341 -1.148 1.00 0.00 H new ATOM 0 HG11 VAL X 54 25.718 0.747 -0.133 1.00 0.00 H new ATOM 0 HG12 VAL X 54 25.412 1.878 -1.473 1.00 0.00 H new ATOM 0 HG13 VAL X 54 25.255 2.431 0.211 1.00 0.00 H new ATOM 0 HG21 VAL X 54 23.819 -0.060 1.279 1.00 0.00 H new ATOM 0 HG22 VAL X 54 23.357 1.625 1.620 1.00 0.00 H new ATOM 0 HG23 VAL X 54 22.162 0.494 0.942 1.00 0.00 H new ATOM 828 N THR X 55 22.898 3.044 -3.261 1.00 0.00 N ATOM 829 CA THR X 55 22.595 2.960 -4.681 1.00 0.00 C ATOM 830 C THR X 55 23.883 2.913 -5.493 1.00 0.00 C ATOM 831 O THR X 55 24.764 3.756 -5.321 1.00 0.00 O ATOM 832 CB THR X 55 21.768 4.174 -5.097 1.00 0.00 C ATOM 833 OG1 THR X 55 20.848 4.497 -4.063 1.00 0.00 O ATOM 834 CG2 THR X 55 21.004 3.856 -6.382 1.00 0.00 C ATOM 0 H THR X 55 23.516 3.813 -3.003 1.00 0.00 H new ATOM 0 HA THR X 55 22.027 2.049 -4.870 1.00 0.00 H new ATOM 0 HB THR X 55 22.430 5.022 -5.271 1.00 0.00 H new ATOM 0 HG1 THR X 55 20.318 5.277 -4.329 1.00 0.00 H new ATOM 0 HG21 THR X 55 20.414 4.723 -6.678 1.00 0.00 H new ATOM 0 HG22 THR X 55 21.711 3.610 -7.174 1.00 0.00 H new ATOM 0 HG23 THR X 55 20.342 3.007 -6.211 1.00 0.00 H new ATOM 842 N GLU X 56 23.992 1.929 -6.379 1.00 0.00 N ATOM 843 CA GLU X 56 25.184 1.798 -7.206 1.00 0.00 C ATOM 844 C GLU X 56 24.912 2.302 -8.620 1.00 0.00 C ATOM 845 O GLU X 56 25.653 3.158 -9.074 1.00 0.00 O ATOM 846 CB GLU X 56 25.629 0.333 -7.258 1.00 0.00 C ATOM 847 CG GLU X 56 24.607 -0.541 -6.529 1.00 0.00 C ATOM 848 CD GLU X 56 24.918 -2.014 -6.768 1.00 0.00 C ATOM 849 OE1 GLU X 56 24.612 -2.497 -7.845 1.00 0.00 O ATOM 850 OE2 GLU X 56 25.458 -2.639 -5.869 1.00 0.00 O ATOM 851 OXT GLU X 56 23.969 1.824 -9.227 1.00 0.00 O ATOM 0 H GLU X 56 23.278 1.219 -6.541 1.00 0.00 H new ATOM 0 HA GLU X 56 25.978 2.400 -6.764 1.00 0.00 H new ATOM 0 HB2 GLU X 56 25.726 0.009 -8.294 1.00 0.00 H new ATOM 0 HB3 GLU X 56 26.610 0.224 -6.796 1.00 0.00 H new ATOM 0 HG2 GLU X 56 24.627 -0.325 -5.461 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.602 -0.311 -6.882 1.00 0.00 H new