USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: X 8 ASN : amide:sc= -0.937 K(o=-3.7,f=-2.7) USER MOD Set 1.2: X 13 LYS NZ :NH3+ 169:sc= -2.73! (180deg=-2.49) USER MOD Set 2.1: X 1 MET CE :methyl -152:sc= -0.51 (180deg=-0.561) USER MOD Set 2.2: X 3 TYR OH : rot 180:sc= 0 USER MOD Single : X 1 MET N :NH3+ -151:sc= 0.348 (180deg=-0.634!) USER MOD Single : X 2 GLN : amide:sc= -0.0221 K(o=-0.022,f=-0.88) USER MOD Single : X 4 LYS NZ :NH3+ -167:sc=-0.00152 (180deg=-0.0336) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0.00441 USER MOD Single : X 16 THR OG1 : rot 180:sc= -0.0915 USER MOD Single : X 17 THR OG1 : rot 180:sc= 0 USER MOD Single : X 18 THR OG1 : rot 180:sc= -0.543 USER MOD Single : X 25 THR OG1 : rot 180:sc= -1.06 USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 32 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.22) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc= -0.657 K(o=-0.66,f=-0.0035) USER MOD Single : X 37 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.103 USER MOD Single : X 45 TYR OH : rot 180:sc= 0 USER MOD Single : X 49 THR OG1 : rot 17:sc= -1.12! USER MOD Single : X 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 51 THR OG1 : rot 11:sc= 0.437 USER MOD Single : X 53 THR OG1 : rot 7:sc= -0.0588 USER MOD Single : X 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 -14.250 7.052 16.132 1.00 0.00 N ATOM 2 CA MET X 1 -14.241 8.474 15.686 1.00 0.00 C ATOM 3 C MET X 1 -15.198 8.641 14.513 1.00 0.00 C ATOM 4 O MET X 1 -16.323 8.144 14.539 1.00 0.00 O ATOM 5 CB MET X 1 -12.824 8.864 15.259 1.00 0.00 C ATOM 6 CG MET X 1 -12.443 8.100 13.989 1.00 0.00 C ATOM 7 SD MET X 1 -10.820 7.333 14.211 1.00 0.00 S ATOM 8 CE MET X 1 -10.521 6.927 12.472 1.00 0.00 C ATOM 0 H1 MET X 1 -14.033 7.005 17.148 1.00 0.00 H new ATOM 0 H2 MET X 1 -15.189 6.640 15.959 1.00 0.00 H new ATOM 0 H3 MET X 1 -13.534 6.517 15.600 1.00 0.00 H new ATOM 0 HA MET X 1 -14.560 9.118 16.505 1.00 0.00 H new ATOM 0 HB2 MET X 1 -12.770 9.938 15.080 1.00 0.00 H new ATOM 0 HB3 MET X 1 -12.117 8.638 16.058 1.00 0.00 H new ATOM 0 HG2 MET X 1 -13.191 7.337 13.772 1.00 0.00 H new ATOM 0 HG3 MET X 1 -12.423 8.778 13.136 1.00 0.00 H new ATOM 0 HE1 MET X 1 -9.871 6.054 12.409 1.00 0.00 H new ATOM 0 HE2 MET X 1 -11.469 6.709 11.981 1.00 0.00 H new ATOM 0 HE3 MET X 1 -10.042 7.773 11.978 1.00 0.00 H new ATOM 20 N GLN X 2 -14.739 9.344 13.483 1.00 0.00 N ATOM 21 CA GLN X 2 -15.559 9.572 12.299 1.00 0.00 C ATOM 22 C GLN X 2 -15.131 8.644 11.170 1.00 0.00 C ATOM 23 O GLN X 2 -13.939 8.461 10.920 1.00 0.00 O ATOM 24 CB GLN X 2 -15.429 11.027 11.843 1.00 0.00 C ATOM 25 CG GLN X 2 -15.566 11.957 13.049 1.00 0.00 C ATOM 26 CD GLN X 2 -16.208 13.272 12.620 1.00 0.00 C ATOM 27 OE1 GLN X 2 -16.105 13.665 11.458 1.00 0.00 O ATOM 28 NE2 GLN X 2 -16.868 13.983 13.494 1.00 0.00 N ATOM 0 H GLN X 2 -13.810 9.763 13.444 1.00 0.00 H new ATOM 0 HA GLN X 2 -16.598 9.365 12.554 1.00 0.00 H new ATOM 0 HB2 GLN X 2 -14.465 11.182 11.359 1.00 0.00 H new ATOM 0 HB3 GLN X 2 -16.197 11.257 11.104 1.00 0.00 H new ATOM 0 HG2 GLN X 2 -16.172 11.481 13.820 1.00 0.00 H new ATOM 0 HG3 GLN X 2 -14.586 12.146 13.486 1.00 0.00 H new ATOM 0 HE21 GLN X 2 -16.953 13.657 14.457 1.00 0.00 H new ATOM 0 HE22 GLN X 2 -17.298 14.864 13.214 1.00 0.00 H new ATOM 37 N TYR X 3 -16.110 8.059 10.491 1.00 0.00 N ATOM 38 CA TYR X 3 -15.822 7.149 9.389 1.00 0.00 C ATOM 39 C TYR X 3 -16.650 7.512 8.163 1.00 0.00 C ATOM 40 O TYR X 3 -17.615 8.271 8.254 1.00 0.00 O ATOM 41 CB TYR X 3 -16.140 5.710 9.800 1.00 0.00 C ATOM 42 CG TYR X 3 -15.160 5.250 10.851 1.00 0.00 C ATOM 43 CD1 TYR X 3 -15.315 5.661 12.179 1.00 0.00 C ATOM 44 CD2 TYR X 3 -14.097 4.408 10.499 1.00 0.00 C ATOM 45 CE1 TYR X 3 -14.410 5.232 13.156 1.00 0.00 C ATOM 46 CE2 TYR X 3 -13.191 3.978 11.476 1.00 0.00 C ATOM 47 CZ TYR X 3 -13.347 4.390 12.804 1.00 0.00 C ATOM 48 OH TYR X 3 -12.455 3.966 13.768 1.00 0.00 O ATOM 0 H TYR X 3 -17.103 8.197 10.682 1.00 0.00 H new ATOM 0 HA TYR X 3 -14.763 7.236 9.144 1.00 0.00 H new ATOM 0 HB2 TYR X 3 -17.157 5.649 10.187 1.00 0.00 H new ATOM 0 HB3 TYR X 3 -16.090 5.054 8.931 1.00 0.00 H new ATOM 0 HD1 TYR X 3 -16.134 6.310 12.451 1.00 0.00 H new ATOM 0 HD2 TYR X 3 -13.976 4.091 9.474 1.00 0.00 H new ATOM 0 HE1 TYR X 3 -14.531 5.550 14.181 1.00 0.00 H new ATOM 0 HE2 TYR X 3 -12.372 3.328 11.205 1.00 0.00 H new ATOM 0 HH TYR X 3 -11.779 3.387 13.357 1.00 0.00 H new ATOM 58 N LYS X 4 -16.271 6.954 7.022 1.00 0.00 N ATOM 59 CA LYS X 4 -16.991 7.211 5.782 1.00 0.00 C ATOM 60 C LYS X 4 -17.344 5.893 5.109 1.00 0.00 C ATOM 61 O LYS X 4 -16.536 4.964 5.080 1.00 0.00 O ATOM 62 CB LYS X 4 -16.139 8.062 4.837 1.00 0.00 C ATOM 63 CG LYS X 4 -16.528 9.537 4.982 1.00 0.00 C ATOM 64 CD LYS X 4 -15.942 10.343 3.820 1.00 0.00 C ATOM 65 CE LYS X 4 -16.990 11.336 3.314 1.00 0.00 C ATOM 66 NZ LYS X 4 -18.005 10.612 2.497 1.00 0.00 N ATOM 0 H LYS X 4 -15.474 6.324 6.929 1.00 0.00 H new ATOM 0 HA LYS X 4 -17.906 7.755 6.015 1.00 0.00 H new ATOM 0 HB2 LYS X 4 -15.082 7.930 5.066 1.00 0.00 H new ATOM 0 HB3 LYS X 4 -16.285 7.737 3.807 1.00 0.00 H new ATOM 0 HG2 LYS X 4 -17.613 9.637 4.995 1.00 0.00 H new ATOM 0 HG3 LYS X 4 -16.160 9.928 5.930 1.00 0.00 H new ATOM 0 HD2 LYS X 4 -15.048 10.875 4.146 1.00 0.00 H new ATOM 0 HD3 LYS X 4 -15.639 9.674 3.014 1.00 0.00 H new ATOM 0 HE2 LYS X 4 -17.472 11.833 4.156 1.00 0.00 H new ATOM 0 HE3 LYS X 4 -16.513 12.112 2.716 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 -18.585 11.300 1.975 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 -17.524 9.983 1.823 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 -18.615 10.048 3.122 1.00 0.00 H new ATOM 80 N LEU X 5 -18.554 5.811 4.576 1.00 0.00 N ATOM 81 CA LEU X 5 -18.994 4.593 3.914 1.00 0.00 C ATOM 82 C LEU X 5 -19.406 4.883 2.479 1.00 0.00 C ATOM 83 O LEU X 5 -20.329 5.659 2.231 1.00 0.00 O ATOM 84 CB LEU X 5 -20.171 3.982 4.675 1.00 0.00 C ATOM 85 CG LEU X 5 -20.725 5.009 5.665 1.00 0.00 C ATOM 86 CD1 LEU X 5 -22.154 4.631 6.064 1.00 0.00 C ATOM 87 CD2 LEU X 5 -19.840 5.035 6.914 1.00 0.00 C ATOM 0 H LEU X 5 -19.242 6.564 4.588 1.00 0.00 H new ATOM 0 HA LEU X 5 -18.164 3.886 3.903 1.00 0.00 H new ATOM 0 HB2 LEU X 5 -20.950 3.677 3.977 1.00 0.00 H new ATOM 0 HB3 LEU X 5 -19.849 3.086 5.206 1.00 0.00 H new ATOM 0 HG LEU X 5 -20.732 5.993 5.196 1.00 0.00 H new ATOM 0 HD11 LEU X 5 -22.542 5.367 6.769 1.00 0.00 H new ATOM 0 HD12 LEU X 5 -22.786 4.611 5.176 1.00 0.00 H new ATOM 0 HD13 LEU X 5 -22.153 3.646 6.531 1.00 0.00 H new ATOM 0 HD21 LEU X 5 -20.231 5.766 7.622 1.00 0.00 H new ATOM 0 HD22 LEU X 5 -19.835 4.048 7.377 1.00 0.00 H new ATOM 0 HD23 LEU X 5 -18.823 5.310 6.634 1.00 0.00 H new ATOM 99 N ILE X 6 -18.724 4.244 1.536 1.00 0.00 N ATOM 100 CA ILE X 6 -19.037 4.433 0.127 1.00 0.00 C ATOM 101 C ILE X 6 -19.874 3.261 -0.366 1.00 0.00 C ATOM 102 O ILE X 6 -19.373 2.146 -0.507 1.00 0.00 O ATOM 103 CB ILE X 6 -17.752 4.528 -0.696 1.00 0.00 C ATOM 104 CG1 ILE X 6 -16.892 5.682 -0.176 1.00 0.00 C ATOM 105 CG2 ILE X 6 -18.104 4.779 -2.162 1.00 0.00 C ATOM 106 CD1 ILE X 6 -15.524 5.648 -0.859 1.00 0.00 C ATOM 0 H ILE X 6 -17.958 3.596 1.720 1.00 0.00 H new ATOM 0 HA ILE X 6 -19.597 5.361 0.010 1.00 0.00 H new ATOM 0 HB ILE X 6 -17.197 3.594 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE X 6 -17.385 6.634 -0.373 1.00 0.00 H new ATOM 0 HG13 ILE X 6 -16.773 5.602 0.905 1.00 0.00 H new ATOM 0 HG21 ILE X 6 -17.188 4.847 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE X 6 -18.715 3.957 -2.535 1.00 0.00 H new ATOM 0 HG23 ILE X 6 -18.660 5.712 -2.248 1.00 0.00 H new ATOM 0 HD11 ILE X 6 -14.912 6.470 -0.488 1.00 0.00 H new ATOM 0 HD12 ILE X 6 -15.031 4.701 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE X 6 -15.653 5.749 -1.937 1.00 0.00 H new ATOM 118 N LEU X 7 -21.156 3.513 -0.606 1.00 0.00 N ATOM 119 CA LEU X 7 -22.048 2.460 -1.059 1.00 0.00 C ATOM 120 C LEU X 7 -22.417 2.642 -2.521 1.00 0.00 C ATOM 121 O LEU X 7 -22.949 3.679 -2.915 1.00 0.00 O ATOM 122 CB LEU X 7 -23.322 2.455 -0.211 1.00 0.00 C ATOM 123 CG LEU X 7 -22.951 2.411 1.271 1.00 0.00 C ATOM 124 CD1 LEU X 7 -23.144 3.797 1.891 1.00 0.00 C ATOM 125 CD2 LEU X 7 -23.853 1.404 1.988 1.00 0.00 C ATOM 0 H LEU X 7 -21.594 4.427 -0.495 1.00 0.00 H new ATOM 0 HA LEU X 7 -21.527 1.509 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU X 7 -23.915 3.345 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU X 7 -23.938 1.594 -0.468 1.00 0.00 H new ATOM 0 HG LEU X 7 -21.908 2.110 1.375 1.00 0.00 H new ATOM 0 HD11 LEU X 7 -22.879 3.763 2.948 1.00 0.00 H new ATOM 0 HD12 LEU X 7 -22.505 4.517 1.379 1.00 0.00 H new ATOM 0 HD13 LEU X 7 -24.186 4.100 1.788 1.00 0.00 H new ATOM 0 HD21 LEU X 7 -23.591 1.370 3.046 1.00 0.00 H new ATOM 0 HD22 LEU X 7 -24.894 1.708 1.881 1.00 0.00 H new ATOM 0 HD23 LEU X 7 -23.717 0.416 1.548 1.00 0.00 H new ATOM 137 N ASN X 8 -22.146 1.618 -3.321 1.00 0.00 N ATOM 138 CA ASN X 8 -22.470 1.669 -4.738 1.00 0.00 C ATOM 139 C ASN X 8 -23.729 0.856 -5.008 1.00 0.00 C ATOM 140 O ASN X 8 -23.743 -0.363 -4.843 1.00 0.00 O ATOM 141 CB ASN X 8 -21.309 1.111 -5.564 1.00 0.00 C ATOM 142 CG ASN X 8 -20.965 2.074 -6.696 1.00 0.00 C ATOM 143 OD1 ASN X 8 -19.801 2.191 -7.081 1.00 0.00 O ATOM 144 ND2 ASN X 8 -21.914 2.776 -7.253 1.00 0.00 N ATOM 0 H ASN X 8 -21.706 0.750 -3.015 1.00 0.00 H new ATOM 0 HA ASN X 8 -22.642 2.707 -5.024 1.00 0.00 H new ATOM 0 HB2 ASN X 8 -20.438 0.960 -4.927 1.00 0.00 H new ATOM 0 HB3 ASN X 8 -21.578 0.137 -5.973 1.00 0.00 H new ATOM 0 HD21 ASN X 8 -21.693 3.424 -8.009 1.00 0.00 H new ATOM 0 HD22 ASN X 8 -22.877 2.677 -6.932 1.00 0.00 H new ATOM 151 N GLY X 9 -24.787 1.543 -5.421 1.00 0.00 N ATOM 152 CA GLY X 9 -26.052 0.879 -5.710 1.00 0.00 C ATOM 153 C GLY X 9 -26.038 0.263 -7.105 1.00 0.00 C ATOM 154 O GLY X 9 -27.080 0.132 -7.747 1.00 0.00 O ATOM 0 H GLY X 9 -24.795 2.553 -5.563 1.00 0.00 H new ATOM 0 HA2 GLY X 9 -26.238 0.103 -4.967 1.00 0.00 H new ATOM 0 HA3 GLY X 9 -26.869 1.596 -5.633 1.00 0.00 H new ATOM 158 N LYS X 10 -24.850 -0.107 -7.569 1.00 0.00 N ATOM 159 CA LYS X 10 -24.709 -0.702 -8.891 1.00 0.00 C ATOM 160 C LYS X 10 -24.818 0.376 -9.961 1.00 0.00 C ATOM 161 O LYS X 10 -23.897 0.579 -10.752 1.00 0.00 O ATOM 162 CB LYS X 10 -25.795 -1.760 -9.109 1.00 0.00 C ATOM 163 CG LYS X 10 -26.065 -2.490 -7.790 1.00 0.00 C ATOM 164 CD LYS X 10 -26.403 -3.958 -8.071 1.00 0.00 C ATOM 165 CE LYS X 10 -27.817 -4.058 -8.645 1.00 0.00 C ATOM 166 NZ LYS X 10 -28.787 -4.269 -7.533 1.00 0.00 N ATOM 0 H LYS X 10 -23.976 -0.006 -7.053 1.00 0.00 H new ATOM 0 HA LYS X 10 -23.730 -1.177 -8.961 1.00 0.00 H new ATOM 0 HB2 LYS X 10 -26.709 -1.290 -9.471 1.00 0.00 H new ATOM 0 HB3 LYS X 10 -25.478 -2.470 -9.873 1.00 0.00 H new ATOM 0 HG2 LYS X 10 -25.191 -2.426 -7.142 1.00 0.00 H new ATOM 0 HG3 LYS X 10 -26.889 -2.012 -7.261 1.00 0.00 H new ATOM 0 HD2 LYS X 10 -25.684 -4.379 -8.773 1.00 0.00 H new ATOM 0 HD3 LYS X 10 -26.330 -4.541 -7.153 1.00 0.00 H new ATOM 0 HE2 LYS X 10 -28.065 -3.148 -9.191 1.00 0.00 H new ATOM 0 HE3 LYS X 10 -27.876 -4.883 -9.355 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 -29.750 -4.337 -7.920 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 -28.553 -5.149 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 -28.736 -3.468 -6.871 1.00 0.00 H new ATOM 180 N THR X 11 -25.949 1.071 -9.968 1.00 0.00 N ATOM 181 CA THR X 11 -26.177 2.140 -10.932 1.00 0.00 C ATOM 182 C THR X 11 -26.203 3.490 -10.226 1.00 0.00 C ATOM 183 O THR X 11 -26.322 4.535 -10.865 1.00 0.00 O ATOM 184 CB THR X 11 -27.505 1.915 -11.660 1.00 0.00 C ATOM 185 OG1 THR X 11 -28.494 1.514 -10.723 1.00 0.00 O ATOM 186 CG2 THR X 11 -27.333 0.826 -12.721 1.00 0.00 C ATOM 0 H THR X 11 -26.720 0.914 -9.319 1.00 0.00 H new ATOM 0 HA THR X 11 -25.364 2.134 -11.658 1.00 0.00 H new ATOM 0 HB THR X 11 -27.815 2.842 -12.143 1.00 0.00 H new ATOM 0 HG1 THR X 11 -29.345 1.371 -11.187 1.00 0.00 H new ATOM 0 HG21 THR X 11 -28.280 0.668 -13.237 1.00 0.00 H new ATOM 0 HG22 THR X 11 -26.575 1.135 -13.440 1.00 0.00 H new ATOM 0 HG23 THR X 11 -27.022 -0.102 -12.242 1.00 0.00 H new ATOM 194 N LEU X 12 -26.095 3.457 -8.901 1.00 0.00 N ATOM 195 CA LEU X 12 -26.110 4.681 -8.108 1.00 0.00 C ATOM 196 C LEU X 12 -25.068 4.614 -6.995 1.00 0.00 C ATOM 197 O LEU X 12 -24.737 3.533 -6.507 1.00 0.00 O ATOM 198 CB LEU X 12 -27.498 4.889 -7.499 1.00 0.00 C ATOM 199 CG LEU X 12 -28.317 5.824 -8.393 1.00 0.00 C ATOM 200 CD1 LEU X 12 -29.806 5.653 -8.082 1.00 0.00 C ATOM 201 CD2 LEU X 12 -27.904 7.276 -8.129 1.00 0.00 C ATOM 0 H LEU X 12 -25.997 2.600 -8.356 1.00 0.00 H new ATOM 0 HA LEU X 12 -25.870 5.519 -8.763 1.00 0.00 H new ATOM 0 HB2 LEU X 12 -28.007 3.931 -7.394 1.00 0.00 H new ATOM 0 HB3 LEU X 12 -27.407 5.313 -6.499 1.00 0.00 H new ATOM 0 HG LEU X 12 -28.133 5.579 -9.439 1.00 0.00 H new ATOM 0 HD11 LEU X 12 -30.389 6.319 -8.718 1.00 0.00 H new ATOM 0 HD12 LEU X 12 -30.101 4.621 -8.270 1.00 0.00 H new ATOM 0 HD13 LEU X 12 -29.990 5.898 -7.036 1.00 0.00 H new ATOM 0 HD21 LEU X 12 -28.487 7.942 -8.765 1.00 0.00 H new ATOM 0 HD22 LEU X 12 -28.087 7.522 -7.083 1.00 0.00 H new ATOM 0 HD23 LEU X 12 -26.844 7.399 -8.351 1.00 0.00 H new ATOM 213 N LYS X 13 -24.554 5.774 -6.598 1.00 0.00 N ATOM 214 CA LYS X 13 -23.550 5.833 -5.541 1.00 0.00 C ATOM 215 C LYS X 13 -23.906 6.909 -4.519 1.00 0.00 C ATOM 216 O LYS X 13 -24.554 7.901 -4.850 1.00 0.00 O ATOM 217 CB LYS X 13 -22.178 6.134 -6.149 1.00 0.00 C ATOM 218 CG LYS X 13 -22.318 7.233 -7.206 1.00 0.00 C ATOM 219 CD LYS X 13 -22.653 6.603 -8.559 1.00 0.00 C ATOM 220 CE LYS X 13 -21.360 6.347 -9.338 1.00 0.00 C ATOM 221 NZ LYS X 13 -20.338 5.760 -8.427 1.00 0.00 N ATOM 0 H LYS X 13 -24.814 6.680 -6.989 1.00 0.00 H new ATOM 0 HA LYS X 13 -23.522 4.868 -5.035 1.00 0.00 H new ATOM 0 HB2 LYS X 13 -21.485 6.450 -5.370 1.00 0.00 H new ATOM 0 HB3 LYS X 13 -21.762 5.233 -6.599 1.00 0.00 H new ATOM 0 HG2 LYS X 13 -23.101 7.933 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS X 13 -21.392 7.803 -7.278 1.00 0.00 H new ATOM 0 HD2 LYS X 13 -23.193 5.668 -8.413 1.00 0.00 H new ATOM 0 HD3 LYS X 13 -23.308 7.264 -9.127 1.00 0.00 H new ATOM 0 HE2 LYS X 13 -21.552 5.670 -10.170 1.00 0.00 H new ATOM 0 HE3 LYS X 13 -20.990 7.279 -9.765 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 -19.532 5.415 -8.986 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 -20.010 6.486 -7.759 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 -20.757 4.968 -7.899 1.00 0.00 H new ATOM 235 N GLY X 14 -23.479 6.705 -3.275 1.00 0.00 N ATOM 236 CA GLY X 14 -23.761 7.668 -2.215 1.00 0.00 C ATOM 237 C GLY X 14 -22.748 7.546 -1.083 1.00 0.00 C ATOM 238 O GLY X 14 -22.097 6.512 -0.928 1.00 0.00 O ATOM 0 H GLY X 14 -22.942 5.890 -2.979 1.00 0.00 H new ATOM 0 HA2 GLY X 14 -23.737 8.679 -2.622 1.00 0.00 H new ATOM 0 HA3 GLY X 14 -24.766 7.504 -1.827 1.00 0.00 H new ATOM 242 N GLU X 15 -22.617 8.608 -0.295 1.00 0.00 N ATOM 243 CA GLU X 15 -21.678 8.610 0.820 1.00 0.00 C ATOM 244 C GLU X 15 -22.316 9.238 2.056 1.00 0.00 C ATOM 245 O GLU X 15 -23.101 10.179 1.950 1.00 0.00 O ATOM 246 CB GLU X 15 -20.418 9.389 0.437 1.00 0.00 C ATOM 247 CG GLU X 15 -20.533 9.864 -1.014 1.00 0.00 C ATOM 248 CD GLU X 15 -21.689 10.849 -1.151 1.00 0.00 C ATOM 249 OE1 GLU X 15 -22.253 11.213 -0.133 1.00 0.00 O ATOM 250 OE2 GLU X 15 -21.993 11.223 -2.271 1.00 0.00 O ATOM 0 H GLU X 15 -23.146 9.473 -0.407 1.00 0.00 H new ATOM 0 HA GLU X 15 -21.410 7.579 1.050 1.00 0.00 H new ATOM 0 HB2 GLU X 15 -20.290 10.243 1.102 1.00 0.00 H new ATOM 0 HB3 GLU X 15 -19.537 8.758 0.556 1.00 0.00 H new ATOM 0 HG2 GLU X 15 -19.602 10.338 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU X 15 -20.692 9.010 -1.673 1.00 0.00 H new ATOM 257 N THR X 16 -21.976 8.708 3.227 1.00 0.00 N ATOM 258 CA THR X 16 -22.524 9.224 4.475 1.00 0.00 C ATOM 259 C THR X 16 -21.442 9.291 5.548 1.00 0.00 C ATOM 260 O THR X 16 -20.341 8.774 5.366 1.00 0.00 O ATOM 261 CB THR X 16 -23.666 8.325 4.957 1.00 0.00 C ATOM 262 OG1 THR X 16 -23.385 6.978 4.603 1.00 0.00 O ATOM 263 CG2 THR X 16 -24.977 8.764 4.301 1.00 0.00 C ATOM 0 H THR X 16 -21.329 7.927 3.337 1.00 0.00 H new ATOM 0 HA THR X 16 -22.904 10.229 4.294 1.00 0.00 H new ATOM 0 HB THR X 16 -23.761 8.406 6.040 1.00 0.00 H new ATOM 0 HG1 THR X 16 -24.114 6.400 4.912 1.00 0.00 H new ATOM 0 HG21 THR X 16 -25.789 8.123 4.645 1.00 0.00 H new ATOM 0 HG22 THR X 16 -25.191 9.798 4.572 1.00 0.00 H new ATOM 0 HG23 THR X 16 -24.886 8.684 3.218 1.00 0.00 H new ATOM 271 N THR X 17 -21.766 9.932 6.666 1.00 0.00 N ATOM 272 CA THR X 17 -20.816 10.062 7.764 1.00 0.00 C ATOM 273 C THR X 17 -21.432 9.556 9.063 1.00 0.00 C ATOM 274 O THR X 17 -22.650 9.600 9.239 1.00 0.00 O ATOM 275 CB THR X 17 -20.405 11.526 7.929 1.00 0.00 C ATOM 276 OG1 THR X 17 -20.226 12.112 6.647 1.00 0.00 O ATOM 277 CG2 THR X 17 -19.097 11.606 8.716 1.00 0.00 C ATOM 0 H THR X 17 -22.673 10.367 6.835 1.00 0.00 H new ATOM 0 HA THR X 17 -19.936 9.463 7.533 1.00 0.00 H new ATOM 0 HB THR X 17 -21.184 12.064 8.470 1.00 0.00 H new ATOM 0 HG1 THR X 17 -19.964 13.051 6.750 1.00 0.00 H new ATOM 0 HG21 THR X 17 -18.806 12.650 8.833 1.00 0.00 H new ATOM 0 HG22 THR X 17 -19.236 11.156 9.699 1.00 0.00 H new ATOM 0 HG23 THR X 17 -18.315 11.069 8.178 1.00 0.00 H new ATOM 285 N THR X 18 -20.589 9.073 9.969 1.00 0.00 N ATOM 286 CA THR X 18 -21.074 8.562 11.245 1.00 0.00 C ATOM 287 C THR X 18 -19.987 8.641 12.314 1.00 0.00 C ATOM 288 O THR X 18 -18.810 8.414 12.038 1.00 0.00 O ATOM 289 CB THR X 18 -21.526 7.108 11.085 1.00 0.00 C ATOM 290 OG1 THR X 18 -22.271 6.976 9.883 1.00 0.00 O ATOM 291 CG2 THR X 18 -22.399 6.707 12.275 1.00 0.00 C ATOM 0 H THR X 18 -19.578 9.025 9.846 1.00 0.00 H new ATOM 0 HA THR X 18 -21.917 9.177 11.560 1.00 0.00 H new ATOM 0 HB THR X 18 -20.652 6.458 11.045 1.00 0.00 H new ATOM 0 HG1 THR X 18 -22.560 6.046 9.778 1.00 0.00 H new ATOM 0 HG21 THR X 18 -22.719 5.672 12.159 1.00 0.00 H new ATOM 0 HG22 THR X 18 -21.826 6.808 13.197 1.00 0.00 H new ATOM 0 HG23 THR X 18 -23.274 7.355 12.319 1.00 0.00 H new ATOM 299 N GLU X 19 -20.398 8.959 13.538 1.00 0.00 N ATOM 300 CA GLU X 19 -19.458 9.062 14.649 1.00 0.00 C ATOM 301 C GLU X 19 -19.767 8.000 15.702 1.00 0.00 C ATOM 302 O GLU X 19 -20.741 8.116 16.446 1.00 0.00 O ATOM 303 CB GLU X 19 -19.548 10.454 15.278 1.00 0.00 C ATOM 304 CG GLU X 19 -18.725 10.492 16.568 1.00 0.00 C ATOM 305 CD GLU X 19 -18.771 11.892 17.173 1.00 0.00 C ATOM 306 OE1 GLU X 19 -19.838 12.297 17.602 1.00 0.00 O ATOM 307 OE2 GLU X 19 -17.737 12.539 17.196 1.00 0.00 O ATOM 0 H GLU X 19 -21.369 9.149 13.785 1.00 0.00 H new ATOM 0 HA GLU X 19 -18.448 8.902 14.271 1.00 0.00 H new ATOM 0 HB2 GLU X 19 -19.180 11.204 14.578 1.00 0.00 H new ATOM 0 HB3 GLU X 19 -20.588 10.701 15.491 1.00 0.00 H new ATOM 0 HG2 GLU X 19 -19.116 9.766 17.280 1.00 0.00 H new ATOM 0 HG3 GLU X 19 -17.693 10.210 16.359 1.00 0.00 H new ATOM 314 N ALA X 20 -18.933 6.967 15.755 1.00 0.00 N ATOM 315 CA ALA X 20 -19.129 5.888 16.719 1.00 0.00 C ATOM 316 C ALA X 20 -17.787 5.287 17.128 1.00 0.00 C ATOM 317 O ALA X 20 -16.741 5.671 16.606 1.00 0.00 O ATOM 318 CB ALA X 20 -20.017 4.801 16.109 1.00 0.00 C ATOM 0 H ALA X 20 -18.121 6.853 15.148 1.00 0.00 H new ATOM 0 HA ALA X 20 -19.614 6.297 17.605 1.00 0.00 H new ATOM 0 HB1 ALA X 20 -20.159 3.999 16.833 1.00 0.00 H new ATOM 0 HB2 ALA X 20 -20.985 5.228 15.845 1.00 0.00 H new ATOM 0 HB3 ALA X 20 -19.540 4.401 15.214 1.00 0.00 H new ATOM 324 N VAL X 21 -17.825 4.345 18.064 1.00 0.00 N ATOM 325 CA VAL X 21 -16.603 3.700 18.535 1.00 0.00 C ATOM 326 C VAL X 21 -16.357 2.400 17.781 1.00 0.00 C ATOM 327 O VAL X 21 -15.472 1.622 18.137 1.00 0.00 O ATOM 328 CB VAL X 21 -16.710 3.407 20.033 1.00 0.00 C ATOM 329 CG1 VAL X 21 -16.465 4.690 20.826 1.00 0.00 C ATOM 330 CG2 VAL X 21 -18.109 2.872 20.347 1.00 0.00 C ATOM 0 H VAL X 21 -18.681 4.013 18.509 1.00 0.00 H new ATOM 0 HA VAL X 21 -15.767 4.376 18.354 1.00 0.00 H new ATOM 0 HB VAL X 21 -15.963 2.663 20.311 1.00 0.00 H new ATOM 0 HG11 VAL X 21 -16.542 4.479 21.893 1.00 0.00 H new ATOM 0 HG12 VAL X 21 -15.469 5.071 20.602 1.00 0.00 H new ATOM 0 HG13 VAL X 21 -17.210 5.436 20.549 1.00 0.00 H new ATOM 0 HG21 VAL X 21 -18.187 2.663 21.414 1.00 0.00 H new ATOM 0 HG22 VAL X 21 -18.854 3.617 20.068 1.00 0.00 H new ATOM 0 HG23 VAL X 21 -18.283 1.955 19.784 1.00 0.00 H new ATOM 340 N ASP X 22 -17.146 2.168 16.738 1.00 0.00 N ATOM 341 CA ASP X 22 -17.004 0.955 15.942 1.00 0.00 C ATOM 342 C ASP X 22 -18.002 0.949 14.790 1.00 0.00 C ATOM 343 O ASP X 22 -19.084 0.369 14.897 1.00 0.00 O ATOM 344 CB ASP X 22 -17.234 -0.276 16.822 1.00 0.00 C ATOM 345 CG ASP X 22 -15.927 -0.701 17.484 1.00 0.00 C ATOM 346 OD1 ASP X 22 -14.884 -0.246 17.044 1.00 0.00 O ATOM 347 OD2 ASP X 22 -15.988 -1.477 18.424 1.00 0.00 O ATOM 0 H ASP X 22 -17.885 2.798 16.426 1.00 0.00 H new ATOM 0 HA ASP X 22 -15.994 0.928 15.533 1.00 0.00 H new ATOM 0 HB2 ASP X 22 -17.981 -0.053 17.584 1.00 0.00 H new ATOM 0 HB3 ASP X 22 -17.628 -1.094 16.220 1.00 0.00 H new ATOM 352 N ALA X 23 -17.632 1.590 13.688 1.00 0.00 N ATOM 353 CA ALA X 23 -18.501 1.645 12.521 1.00 0.00 C ATOM 354 C ALA X 23 -18.607 0.266 11.880 1.00 0.00 C ATOM 355 O ALA X 23 -19.579 -0.036 11.188 1.00 0.00 O ATOM 356 CB ALA X 23 -17.951 2.647 11.504 1.00 0.00 C ATOM 0 H ALA X 23 -16.742 2.076 13.579 1.00 0.00 H new ATOM 0 HA ALA X 23 -19.493 1.967 12.838 1.00 0.00 H new ATOM 0 HB1 ALA X 23 -18.608 2.681 10.635 1.00 0.00 H new ATOM 0 HB2 ALA X 23 -17.900 3.636 11.959 1.00 0.00 H new ATOM 0 HB3 ALA X 23 -16.953 2.339 11.193 1.00 0.00 H new ATOM 362 N ALA X 24 -17.599 -0.568 12.121 1.00 0.00 N ATOM 363 CA ALA X 24 -17.589 -1.917 11.571 1.00 0.00 C ATOM 364 C ALA X 24 -18.727 -2.737 12.170 1.00 0.00 C ATOM 365 O ALA X 24 -19.437 -3.447 11.458 1.00 0.00 O ATOM 366 CB ALA X 24 -16.250 -2.595 11.873 1.00 0.00 C ATOM 0 H ALA X 24 -16.785 -0.334 12.689 1.00 0.00 H new ATOM 0 HA ALA X 24 -17.725 -1.856 10.491 1.00 0.00 H new ATOM 0 HB1 ALA X 24 -16.251 -3.603 11.458 1.00 0.00 H new ATOM 0 HB2 ALA X 24 -15.441 -2.019 11.424 1.00 0.00 H new ATOM 0 HB3 ALA X 24 -16.103 -2.647 12.952 1.00 0.00 H new ATOM 372 N THR X 25 -18.898 -2.625 13.483 1.00 0.00 N ATOM 373 CA THR X 25 -19.958 -3.351 14.170 1.00 0.00 C ATOM 374 C THR X 25 -21.313 -2.742 13.830 1.00 0.00 C ATOM 375 O THR X 25 -22.275 -3.457 13.552 1.00 0.00 O ATOM 376 CB THR X 25 -19.735 -3.298 15.683 1.00 0.00 C ATOM 377 OG1 THR X 25 -18.345 -3.173 15.951 1.00 0.00 O ATOM 378 CG2 THR X 25 -20.269 -4.579 16.324 1.00 0.00 C ATOM 0 H THR X 25 -18.320 -2.042 14.089 1.00 0.00 H new ATOM 0 HA THR X 25 -19.940 -4.390 13.842 1.00 0.00 H new ATOM 0 HB THR X 25 -20.263 -2.440 16.099 1.00 0.00 H new ATOM 0 HG1 THR X 25 -18.201 -3.137 16.920 1.00 0.00 H new ATOM 0 HG21 THR X 25 -20.110 -4.540 17.402 1.00 0.00 H new ATOM 0 HG22 THR X 25 -21.335 -4.672 16.118 1.00 0.00 H new ATOM 0 HG23 THR X 25 -19.743 -5.439 15.910 1.00 0.00 H new ATOM 386 N ALA X 26 -21.378 -1.416 13.848 1.00 0.00 N ATOM 387 CA ALA X 26 -22.617 -0.717 13.532 1.00 0.00 C ATOM 388 C ALA X 26 -23.023 -0.991 12.088 1.00 0.00 C ATOM 389 O ALA X 26 -24.206 -1.137 11.781 1.00 0.00 O ATOM 390 CB ALA X 26 -22.439 0.789 13.739 1.00 0.00 C ATOM 0 H ALA X 26 -20.593 -0.807 14.077 1.00 0.00 H new ATOM 0 HA ALA X 26 -23.400 -1.080 14.197 1.00 0.00 H new ATOM 0 HB1 ALA X 26 -23.371 1.302 13.500 1.00 0.00 H new ATOM 0 HB2 ALA X 26 -22.173 0.985 14.778 1.00 0.00 H new ATOM 0 HB3 ALA X 26 -21.646 1.155 13.087 1.00 0.00 H new ATOM 396 N GLU X 27 -22.031 -1.058 11.205 1.00 0.00 N ATOM 397 CA GLU X 27 -22.291 -1.314 9.793 1.00 0.00 C ATOM 398 C GLU X 27 -22.998 -2.655 9.608 1.00 0.00 C ATOM 399 O GLU X 27 -23.756 -2.840 8.655 1.00 0.00 O ATOM 400 CB GLU X 27 -20.975 -1.315 9.012 1.00 0.00 C ATOM 401 CG GLU X 27 -21.261 -1.500 7.520 1.00 0.00 C ATOM 402 CD GLU X 27 -21.692 -0.174 6.904 1.00 0.00 C ATOM 403 OE1 GLU X 27 -22.881 0.098 6.904 1.00 0.00 O ATOM 404 OE2 GLU X 27 -20.826 0.551 6.441 1.00 0.00 O ATOM 0 H GLU X 27 -21.046 -0.939 11.441 1.00 0.00 H new ATOM 0 HA GLU X 27 -22.938 -0.523 9.414 1.00 0.00 H new ATOM 0 HB2 GLU X 27 -20.442 -0.378 9.177 1.00 0.00 H new ATOM 0 HB3 GLU X 27 -20.329 -2.116 9.370 1.00 0.00 H new ATOM 0 HG2 GLU X 27 -20.371 -1.873 7.014 1.00 0.00 H new ATOM 0 HG3 GLU X 27 -22.043 -2.246 7.381 1.00 0.00 H new ATOM 411 N LYS X 28 -22.748 -3.588 10.522 1.00 0.00 N ATOM 412 CA LYS X 28 -23.371 -4.906 10.441 1.00 0.00 C ATOM 413 C LYS X 28 -24.889 -4.778 10.502 1.00 0.00 C ATOM 414 O LYS X 28 -25.607 -5.388 9.709 1.00 0.00 O ATOM 415 CB LYS X 28 -22.884 -5.790 11.591 1.00 0.00 C ATOM 416 CG LYS X 28 -21.406 -6.135 11.387 1.00 0.00 C ATOM 417 CD LYS X 28 -21.240 -7.653 11.291 1.00 0.00 C ATOM 418 CE LYS X 28 -19.766 -8.019 11.480 1.00 0.00 C ATOM 419 NZ LYS X 28 -19.423 -9.173 10.601 1.00 0.00 N ATOM 0 H LYS X 28 -22.125 -3.459 11.319 1.00 0.00 H new ATOM 0 HA LYS X 28 -23.090 -5.364 9.492 1.00 0.00 H new ATOM 0 HB2 LYS X 28 -23.019 -5.274 12.541 1.00 0.00 H new ATOM 0 HB3 LYS X 28 -23.477 -6.703 11.637 1.00 0.00 H new ATOM 0 HG2 LYS X 28 -21.034 -5.661 10.479 1.00 0.00 H new ATOM 0 HG3 LYS X 28 -20.814 -5.746 12.216 1.00 0.00 H new ATOM 0 HD2 LYS X 28 -21.848 -8.145 12.051 1.00 0.00 H new ATOM 0 HD3 LYS X 28 -21.592 -8.007 10.322 1.00 0.00 H new ATOM 0 HE2 LYS X 28 -19.134 -7.164 11.239 1.00 0.00 H new ATOM 0 HE3 LYS X 28 -19.574 -8.273 12.523 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 -18.421 -9.422 10.730 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 -20.017 -9.989 10.852 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 -19.591 -8.915 9.608 1.00 0.00 H new ATOM 433 N VAL X 29 -25.372 -3.978 11.445 1.00 0.00 N ATOM 434 CA VAL X 29 -26.807 -3.773 11.597 1.00 0.00 C ATOM 435 C VAL X 29 -27.369 -3.047 10.379 1.00 0.00 C ATOM 436 O VAL X 29 -28.444 -3.383 9.881 1.00 0.00 O ATOM 437 CB VAL X 29 -27.086 -2.972 12.876 1.00 0.00 C ATOM 438 CG1 VAL X 29 -25.904 -3.119 13.835 1.00 0.00 C ATOM 439 CG2 VAL X 29 -27.278 -1.489 12.536 1.00 0.00 C ATOM 0 H VAL X 29 -24.796 -3.464 12.111 1.00 0.00 H new ATOM 0 HA VAL X 29 -27.298 -4.743 11.676 1.00 0.00 H new ATOM 0 HB VAL X 29 -27.993 -3.354 13.344 1.00 0.00 H new ATOM 0 HG11 VAL X 29 -26.100 -2.551 14.744 1.00 0.00 H new ATOM 0 HG12 VAL X 29 -25.768 -4.171 14.087 1.00 0.00 H new ATOM 0 HG13 VAL X 29 -25.000 -2.740 13.359 1.00 0.00 H new ATOM 0 HG21 VAL X 29 -27.475 -0.929 13.450 1.00 0.00 H new ATOM 0 HG22 VAL X 29 -26.375 -1.104 12.063 1.00 0.00 H new ATOM 0 HG23 VAL X 29 -28.121 -1.378 11.853 1.00 0.00 H new ATOM 449 N PHE X 30 -26.631 -2.047 9.904 1.00 0.00 N ATOM 450 CA PHE X 30 -27.057 -1.274 8.743 1.00 0.00 C ATOM 451 C PHE X 30 -27.093 -2.151 7.494 1.00 0.00 C ATOM 452 O PHE X 30 -27.935 -1.965 6.618 1.00 0.00 O ATOM 453 CB PHE X 30 -26.091 -0.107 8.519 1.00 0.00 C ATOM 454 CG PHE X 30 -26.870 1.170 8.305 1.00 0.00 C ATOM 455 CD1 PHE X 30 -27.614 1.350 7.132 1.00 0.00 C ATOM 456 CD2 PHE X 30 -26.842 2.176 9.278 1.00 0.00 C ATOM 457 CE1 PHE X 30 -28.331 2.535 6.933 1.00 0.00 C ATOM 458 CE2 PHE X 30 -27.559 3.362 9.078 1.00 0.00 C ATOM 459 CZ PHE X 30 -28.304 3.542 7.907 1.00 0.00 C ATOM 0 H PHE X 30 -25.739 -1.755 10.304 1.00 0.00 H new ATOM 0 HA PHE X 30 -28.060 -0.892 8.931 1.00 0.00 H new ATOM 0 HB2 PHE X 30 -25.430 -0.000 9.379 1.00 0.00 H new ATOM 0 HB3 PHE X 30 -25.459 -0.307 7.654 1.00 0.00 H new ATOM 0 HD1 PHE X 30 -27.634 0.574 6.381 1.00 0.00 H new ATOM 0 HD2 PHE X 30 -26.268 2.038 10.182 1.00 0.00 H new ATOM 0 HE1 PHE X 30 -28.905 2.673 6.029 1.00 0.00 H new ATOM 0 HE2 PHE X 30 -27.537 4.139 9.828 1.00 0.00 H new ATOM 0 HZ PHE X 30 -28.858 4.457 7.754 1.00 0.00 H new ATOM 469 N LYS X 31 -26.170 -3.106 7.421 1.00 0.00 N ATOM 470 CA LYS X 31 -26.100 -4.007 6.275 1.00 0.00 C ATOM 471 C LYS X 31 -27.408 -4.771 6.110 1.00 0.00 C ATOM 472 O LYS X 31 -27.978 -4.818 5.020 1.00 0.00 O ATOM 473 CB LYS X 31 -24.948 -4.998 6.465 1.00 0.00 C ATOM 474 CG LYS X 31 -24.205 -5.194 5.139 1.00 0.00 C ATOM 475 CD LYS X 31 -25.044 -6.074 4.209 1.00 0.00 C ATOM 476 CE LYS X 31 -24.383 -7.447 4.073 1.00 0.00 C ATOM 477 NZ LYS X 31 -25.196 -8.299 3.159 1.00 0.00 N ATOM 0 H LYS X 31 -25.464 -3.275 8.137 1.00 0.00 H new ATOM 0 HA LYS X 31 -25.927 -3.412 5.378 1.00 0.00 H new ATOM 0 HB2 LYS X 31 -24.261 -4.629 7.226 1.00 0.00 H new ATOM 0 HB3 LYS X 31 -25.334 -5.954 6.821 1.00 0.00 H new ATOM 0 HG2 LYS X 31 -24.015 -4.228 4.670 1.00 0.00 H new ATOM 0 HG3 LYS X 31 -23.235 -5.657 5.318 1.00 0.00 H new ATOM 0 HD2 LYS X 31 -26.053 -6.182 4.606 1.00 0.00 H new ATOM 0 HD3 LYS X 31 -25.135 -5.604 3.230 1.00 0.00 H new ATOM 0 HE2 LYS X 31 -23.371 -7.339 3.683 1.00 0.00 H new ATOM 0 HE3 LYS X 31 -24.299 -7.921 5.051 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 -24.748 -9.233 3.065 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 -26.153 -8.412 3.549 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 -25.254 -7.848 2.224 1.00 0.00 H new ATOM 491 N GLN X 32 -27.881 -5.367 7.198 1.00 0.00 N ATOM 492 CA GLN X 32 -29.126 -6.123 7.159 1.00 0.00 C ATOM 493 C GLN X 32 -30.270 -5.226 6.700 1.00 0.00 C ATOM 494 O GLN X 32 -31.043 -5.593 5.815 1.00 0.00 O ATOM 495 CB GLN X 32 -29.439 -6.690 8.546 1.00 0.00 C ATOM 496 CG GLN X 32 -29.681 -8.198 8.445 1.00 0.00 C ATOM 497 CD GLN X 32 -28.366 -8.922 8.174 1.00 0.00 C ATOM 498 OE1 GLN X 32 -28.090 -9.304 7.037 1.00 0.00 O ATOM 499 NE2 GLN X 32 -27.533 -9.134 9.156 1.00 0.00 N ATOM 0 H GLN X 32 -27.426 -5.342 8.110 1.00 0.00 H new ATOM 0 HA GLN X 32 -29.014 -6.946 6.453 1.00 0.00 H new ATOM 0 HB2 GLN X 32 -28.611 -6.490 9.226 1.00 0.00 H new ATOM 0 HB3 GLN X 32 -30.319 -6.198 8.961 1.00 0.00 H new ATOM 0 HG2 GLN X 32 -30.124 -8.566 9.370 1.00 0.00 H new ATOM 0 HG3 GLN X 32 -30.392 -8.408 7.646 1.00 0.00 H new ATOM 0 HE21 GLN X 32 -27.763 -8.817 10.098 1.00 0.00 H new ATOM 0 HE22 GLN X 32 -26.652 -9.617 8.982 1.00 0.00 H new ATOM 508 N TYR X 33 -30.364 -4.045 7.301 1.00 0.00 N ATOM 509 CA TYR X 33 -31.411 -3.098 6.939 1.00 0.00 C ATOM 510 C TYR X 33 -31.208 -2.612 5.506 1.00 0.00 C ATOM 511 O TYR X 33 -32.170 -2.449 4.754 1.00 0.00 O ATOM 512 CB TYR X 33 -31.389 -1.908 7.900 1.00 0.00 C ATOM 513 CG TYR X 33 -32.481 -0.936 7.525 1.00 0.00 C ATOM 514 CD1 TYR X 33 -32.231 0.064 6.577 1.00 0.00 C ATOM 515 CD2 TYR X 33 -33.741 -1.031 8.127 1.00 0.00 C ATOM 516 CE1 TYR X 33 -33.242 0.967 6.229 1.00 0.00 C ATOM 517 CE2 TYR X 33 -34.752 -0.127 7.780 1.00 0.00 C ATOM 518 CZ TYR X 33 -34.503 0.871 6.831 1.00 0.00 C ATOM 519 OH TYR X 33 -35.500 1.762 6.489 1.00 0.00 O ATOM 0 H TYR X 33 -29.733 -3.723 8.035 1.00 0.00 H new ATOM 0 HA TYR X 33 -32.378 -3.597 7.008 1.00 0.00 H new ATOM 0 HB2 TYR X 33 -31.530 -2.252 8.925 1.00 0.00 H new ATOM 0 HB3 TYR X 33 -30.418 -1.413 7.861 1.00 0.00 H new ATOM 0 HD1 TYR X 33 -31.258 0.138 6.114 1.00 0.00 H new ATOM 0 HD2 TYR X 33 -33.933 -1.801 8.859 1.00 0.00 H new ATOM 0 HE1 TYR X 33 -33.050 1.737 5.497 1.00 0.00 H new ATOM 0 HE2 TYR X 33 -35.724 -0.200 8.245 1.00 0.00 H new ATOM 0 HH TYR X 33 -36.312 1.555 6.998 1.00 0.00 H new ATOM 529 N ALA X 34 -29.949 -2.403 5.130 1.00 0.00 N ATOM 530 CA ALA X 34 -29.632 -1.959 3.780 1.00 0.00 C ATOM 531 C ALA X 34 -29.880 -3.100 2.803 1.00 0.00 C ATOM 532 O ALA X 34 -30.365 -2.889 1.691 1.00 0.00 O ATOM 533 CB ALA X 34 -28.169 -1.517 3.703 1.00 0.00 C ATOM 0 H ALA X 34 -29.140 -2.533 5.737 1.00 0.00 H new ATOM 0 HA ALA X 34 -30.268 -1.113 3.520 1.00 0.00 H new ATOM 0 HB1 ALA X 34 -27.942 -1.187 2.689 1.00 0.00 H new ATOM 0 HB2 ALA X 34 -28.000 -0.695 4.399 1.00 0.00 H new ATOM 0 HB3 ALA X 34 -27.522 -2.354 3.966 1.00 0.00 H new ATOM 539 N ASN X 35 -29.556 -4.313 3.240 1.00 0.00 N ATOM 540 CA ASN X 35 -29.758 -5.494 2.412 1.00 0.00 C ATOM 541 C ASN X 35 -31.221 -5.590 1.998 1.00 0.00 C ATOM 542 O ASN X 35 -31.537 -5.986 0.877 1.00 0.00 O ATOM 543 CB ASN X 35 -29.359 -6.750 3.191 1.00 0.00 C ATOM 544 CG ASN X 35 -29.466 -7.979 2.295 1.00 0.00 C ATOM 545 OD1 ASN X 35 -29.914 -9.035 2.741 1.00 0.00 O ATOM 546 ND2 ASN X 35 -29.077 -7.906 1.053 1.00 0.00 N ATOM 0 H ASN X 35 -29.154 -4.502 4.158 1.00 0.00 H new ATOM 0 HA ASN X 35 -29.137 -5.414 1.520 1.00 0.00 H new ATOM 0 HB2 ASN X 35 -28.339 -6.649 3.562 1.00 0.00 H new ATOM 0 HB3 ASN X 35 -30.004 -6.868 4.061 1.00 0.00 H new ATOM 0 HD21 ASN X 35 -29.144 -8.725 0.449 1.00 0.00 H new ATOM 0 HD22 ASN X 35 -28.706 -7.030 0.685 1.00 0.00 H new ATOM 553 N ASP X 36 -32.110 -5.210 2.912 1.00 0.00 N ATOM 554 CA ASP X 36 -33.538 -5.242 2.629 1.00 0.00 C ATOM 555 C ASP X 36 -33.873 -4.223 1.547 1.00 0.00 C ATOM 556 O ASP X 36 -34.845 -4.379 0.809 1.00 0.00 O ATOM 557 CB ASP X 36 -34.333 -4.929 3.900 1.00 0.00 C ATOM 558 CG ASP X 36 -33.743 -5.688 5.084 1.00 0.00 C ATOM 559 OD1 ASP X 36 -33.107 -6.704 4.854 1.00 0.00 O ATOM 560 OD2 ASP X 36 -33.937 -5.243 6.203 1.00 0.00 O ATOM 0 H ASP X 36 -31.868 -4.880 3.846 1.00 0.00 H new ATOM 0 HA ASP X 36 -33.807 -6.239 2.279 1.00 0.00 H new ATOM 0 HB2 ASP X 36 -34.312 -3.857 4.097 1.00 0.00 H new ATOM 0 HB3 ASP X 36 -35.378 -5.207 3.763 1.00 0.00 H new ATOM 565 N ASN X 37 -33.048 -3.183 1.455 1.00 0.00 N ATOM 566 CA ASN X 37 -33.251 -2.145 0.453 1.00 0.00 C ATOM 567 C ASN X 37 -32.561 -2.535 -0.846 1.00 0.00 C ATOM 568 O ASN X 37 -32.728 -1.880 -1.875 1.00 0.00 O ATOM 569 CB ASN X 37 -32.691 -0.812 0.955 1.00 0.00 C ATOM 570 CG ASN X 37 -33.318 0.340 0.178 1.00 0.00 C ATOM 571 OD1 ASN X 37 -34.378 0.838 0.552 1.00 0.00 O ATOM 572 ND2 ASN X 37 -32.721 0.796 -0.890 1.00 0.00 N ATOM 0 H ASN X 37 -32.238 -3.039 2.059 1.00 0.00 H new ATOM 0 HA ASN X 37 -34.320 -2.036 0.272 1.00 0.00 H new ATOM 0 HB2 ASN X 37 -32.897 -0.699 2.019 1.00 0.00 H new ATOM 0 HB3 ASN X 37 -31.608 -0.795 0.836 1.00 0.00 H new ATOM 0 HD21 ASN X 37 -33.134 1.567 -1.415 1.00 0.00 H new ATOM 0 HD22 ASN X 37 -31.842 0.382 -1.199 1.00 0.00 H new ATOM 579 N GLY X 38 -31.791 -3.618 -0.790 1.00 0.00 N ATOM 580 CA GLY X 38 -31.085 -4.105 -1.967 1.00 0.00 C ATOM 581 C GLY X 38 -29.659 -3.565 -2.037 1.00 0.00 C ATOM 582 O GLY X 38 -29.068 -3.509 -3.116 1.00 0.00 O ATOM 0 H GLY X 38 -31.642 -4.171 0.054 1.00 0.00 H new ATOM 0 HA2 GLY X 38 -31.061 -5.195 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY X 38 -31.629 -3.811 -2.865 1.00 0.00 H new ATOM 586 N VAL X 39 -29.100 -3.174 -0.893 1.00 0.00 N ATOM 587 CA VAL X 39 -27.737 -2.654 -0.881 1.00 0.00 C ATOM 588 C VAL X 39 -26.737 -3.806 -0.906 1.00 0.00 C ATOM 589 O VAL X 39 -26.587 -4.532 0.077 1.00 0.00 O ATOM 590 CB VAL X 39 -27.505 -1.804 0.370 1.00 0.00 C ATOM 591 CG1 VAL X 39 -26.017 -1.466 0.485 1.00 0.00 C ATOM 592 CG2 VAL X 39 -28.316 -0.509 0.265 1.00 0.00 C ATOM 0 H VAL X 39 -29.558 -3.206 0.018 1.00 0.00 H new ATOM 0 HA VAL X 39 -27.595 -2.034 -1.766 1.00 0.00 H new ATOM 0 HB VAL X 39 -27.822 -2.360 1.252 1.00 0.00 H new ATOM 0 HG11 VAL X 39 -25.849 -0.860 1.376 1.00 0.00 H new ATOM 0 HG12 VAL X 39 -25.439 -2.387 0.559 1.00 0.00 H new ATOM 0 HG13 VAL X 39 -25.701 -0.909 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL X 39 -28.151 0.097 1.156 1.00 0.00 H new ATOM 0 HG22 VAL X 39 -27.999 0.048 -0.617 1.00 0.00 H new ATOM 0 HG23 VAL X 39 -29.376 -0.749 0.181 1.00 0.00 H new ATOM 602 N ASP X 40 -26.062 -3.976 -2.039 1.00 0.00 N ATOM 603 CA ASP X 40 -25.087 -5.052 -2.179 1.00 0.00 C ATOM 604 C ASP X 40 -23.732 -4.514 -2.635 1.00 0.00 C ATOM 605 O ASP X 40 -23.618 -3.368 -3.067 1.00 0.00 O ATOM 606 CB ASP X 40 -25.600 -6.078 -3.193 1.00 0.00 C ATOM 607 CG ASP X 40 -26.534 -5.404 -4.193 1.00 0.00 C ATOM 608 OD1 ASP X 40 -26.367 -4.216 -4.423 1.00 0.00 O ATOM 609 OD2 ASP X 40 -27.403 -6.083 -4.713 1.00 0.00 O ATOM 0 H ASP X 40 -26.171 -3.389 -2.866 1.00 0.00 H new ATOM 0 HA ASP X 40 -24.956 -5.524 -1.205 1.00 0.00 H new ATOM 0 HB2 ASP X 40 -24.760 -6.534 -3.718 1.00 0.00 H new ATOM 0 HB3 ASP X 40 -26.126 -6.880 -2.676 1.00 0.00 H new ATOM 614 N GLY X 41 -22.709 -5.360 -2.539 1.00 0.00 N ATOM 615 CA GLY X 41 -21.363 -4.977 -2.952 1.00 0.00 C ATOM 616 C GLY X 41 -20.312 -5.582 -2.032 1.00 0.00 C ATOM 617 O GLY X 41 -20.624 -6.414 -1.179 1.00 0.00 O ATOM 0 H GLY X 41 -22.787 -6.312 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY X 41 -21.187 -5.306 -3.976 1.00 0.00 H new ATOM 0 HA3 GLY X 41 -21.273 -3.891 -2.946 1.00 0.00 H new ATOM 621 N GLU X 42 -19.063 -5.165 -2.214 1.00 0.00 N ATOM 622 CA GLU X 42 -17.973 -5.681 -1.398 1.00 0.00 C ATOM 623 C GLU X 42 -17.673 -4.739 -0.238 1.00 0.00 C ATOM 624 O GLU X 42 -17.245 -3.604 -0.439 1.00 0.00 O ATOM 625 CB GLU X 42 -16.718 -5.845 -2.254 1.00 0.00 C ATOM 626 CG GLU X 42 -15.540 -6.244 -1.363 1.00 0.00 C ATOM 627 CD GLU X 42 -14.780 -7.405 -1.995 1.00 0.00 C ATOM 628 OE1 GLU X 42 -14.345 -7.256 -3.124 1.00 0.00 O ATOM 629 OE2 GLU X 42 -14.645 -8.425 -1.340 1.00 0.00 O ATOM 0 H GLU X 42 -18.783 -4.477 -2.913 1.00 0.00 H new ATOM 0 HA GLU X 42 -18.274 -6.648 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU X 42 -16.883 -6.605 -3.018 1.00 0.00 H new ATOM 0 HB3 GLU X 42 -16.495 -4.913 -2.774 1.00 0.00 H new ATOM 0 HG2 GLU X 42 -14.873 -5.393 -1.225 1.00 0.00 H new ATOM 0 HG3 GLU X 42 -15.901 -6.529 -0.375 1.00 0.00 H new ATOM 636 N TRP X 43 -17.892 -5.226 0.977 1.00 0.00 N ATOM 637 CA TRP X 43 -17.637 -4.425 2.168 1.00 0.00 C ATOM 638 C TRP X 43 -16.383 -4.911 2.886 1.00 0.00 C ATOM 639 O TRP X 43 -16.049 -6.095 2.846 1.00 0.00 O ATOM 640 CB TRP X 43 -18.829 -4.506 3.124 1.00 0.00 C ATOM 641 CG TRP X 43 -20.005 -5.099 2.418 1.00 0.00 C ATOM 642 CD1 TRP X 43 -21.172 -4.457 2.185 1.00 0.00 C ATOM 643 CD2 TRP X 43 -20.156 -6.438 1.859 1.00 0.00 C ATOM 644 NE1 TRP X 43 -22.027 -5.310 1.511 1.00 0.00 N ATOM 645 CE2 TRP X 43 -21.446 -6.544 1.288 1.00 0.00 C ATOM 646 CE3 TRP X 43 -19.306 -7.558 1.789 1.00 0.00 C ATOM 647 CZ2 TRP X 43 -21.879 -7.718 0.671 1.00 0.00 C ATOM 648 CZ3 TRP X 43 -19.741 -8.742 1.169 1.00 0.00 C ATOM 649 CH2 TRP X 43 -21.024 -8.821 0.611 1.00 0.00 C ATOM 0 H TRP X 43 -18.243 -6.165 1.163 1.00 0.00 H new ATOM 0 HA TRP X 43 -17.490 -3.391 1.855 1.00 0.00 H new ATOM 0 HB2 TRP X 43 -18.570 -5.113 3.992 1.00 0.00 H new ATOM 0 HB3 TRP X 43 -19.079 -3.511 3.494 1.00 0.00 H new ATOM 0 HD1 TRP X 43 -21.400 -3.443 2.478 1.00 0.00 H new ATOM 0 HE1 TRP X 43 -22.970 -5.059 1.215 1.00 0.00 H new ATOM 0 HE3 TRP X 43 -18.314 -7.507 2.214 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 -22.869 -7.774 0.243 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 -19.082 -9.596 1.122 1.00 0.00 H new ATOM 0 HH2 TRP X 43 -21.351 -9.734 0.135 1.00 0.00 H new ATOM 660 N THR X 44 -15.697 -3.986 3.551 1.00 0.00 N ATOM 661 CA THR X 44 -14.483 -4.321 4.287 1.00 0.00 C ATOM 662 C THR X 44 -14.233 -3.290 5.381 1.00 0.00 C ATOM 663 O THR X 44 -14.827 -2.211 5.375 1.00 0.00 O ATOM 664 CB THR X 44 -13.283 -4.366 3.337 1.00 0.00 C ATOM 665 OG1 THR X 44 -12.138 -4.824 4.044 1.00 0.00 O ATOM 666 CG2 THR X 44 -13.014 -2.967 2.779 1.00 0.00 C ATOM 0 H THR X 44 -15.960 -3.002 3.595 1.00 0.00 H new ATOM 0 HA THR X 44 -14.612 -5.303 4.743 1.00 0.00 H new ATOM 0 HB THR X 44 -13.499 -5.046 2.513 1.00 0.00 H new ATOM 0 HG1 THR X 44 -11.369 -4.855 3.437 1.00 0.00 H new ATOM 0 HG21 THR X 44 -12.159 -3.003 2.103 1.00 0.00 H new ATOM 0 HG22 THR X 44 -13.892 -2.617 2.236 1.00 0.00 H new ATOM 0 HG23 THR X 44 -12.799 -2.283 3.600 1.00 0.00 H new ATOM 674 N TYR X 45 -13.355 -3.624 6.318 1.00 0.00 N ATOM 675 CA TYR X 45 -13.044 -2.710 7.411 1.00 0.00 C ATOM 676 C TYR X 45 -11.655 -2.107 7.231 1.00 0.00 C ATOM 677 O TYR X 45 -10.647 -2.753 7.520 1.00 0.00 O ATOM 678 CB TYR X 45 -13.111 -3.453 8.747 1.00 0.00 C ATOM 679 CG TYR X 45 -13.195 -4.939 8.493 1.00 0.00 C ATOM 680 CD1 TYR X 45 -12.050 -5.654 8.121 1.00 0.00 C ATOM 681 CD2 TYR X 45 -14.420 -5.603 8.629 1.00 0.00 C ATOM 682 CE1 TYR X 45 -12.130 -7.032 7.886 1.00 0.00 C ATOM 683 CE2 TYR X 45 -14.499 -6.981 8.395 1.00 0.00 C ATOM 684 CZ TYR X 45 -13.355 -7.695 8.024 1.00 0.00 C ATOM 685 OH TYR X 45 -13.433 -9.054 7.793 1.00 0.00 O ATOM 0 H TYR X 45 -12.850 -4.510 6.345 1.00 0.00 H new ATOM 0 HA TYR X 45 -13.779 -1.905 7.405 1.00 0.00 H new ATOM 0 HB2 TYR X 45 -12.230 -3.225 9.347 1.00 0.00 H new ATOM 0 HB3 TYR X 45 -13.979 -3.121 9.317 1.00 0.00 H new ATOM 0 HD1 TYR X 45 -11.105 -5.142 8.015 1.00 0.00 H new ATOM 0 HD2 TYR X 45 -15.304 -5.052 8.914 1.00 0.00 H new ATOM 0 HE1 TYR X 45 -11.247 -7.583 7.598 1.00 0.00 H new ATOM 0 HE2 TYR X 45 -15.444 -7.493 8.501 1.00 0.00 H new ATOM 0 HH TYR X 45 -14.354 -9.357 7.933 1.00 0.00 H new ATOM 695 N ASP X 46 -11.605 -0.865 6.757 1.00 0.00 N ATOM 696 CA ASP X 46 -10.328 -0.194 6.549 1.00 0.00 C ATOM 697 C ASP X 46 -10.195 1.007 7.481 1.00 0.00 C ATOM 698 O ASP X 46 -11.173 1.699 7.762 1.00 0.00 O ATOM 699 CB ASP X 46 -10.210 0.269 5.095 1.00 0.00 C ATOM 700 CG ASP X 46 -9.546 -0.817 4.256 1.00 0.00 C ATOM 701 OD1 ASP X 46 -9.595 -1.967 4.664 1.00 0.00 O ATOM 702 OD2 ASP X 46 -8.997 -0.484 3.218 1.00 0.00 O ATOM 0 H ASP X 46 -12.425 -0.309 6.512 1.00 0.00 H new ATOM 0 HA ASP X 46 -9.528 -0.901 6.770 1.00 0.00 H new ATOM 0 HB2 ASP X 46 -11.198 0.496 4.695 1.00 0.00 H new ATOM 0 HB3 ASP X 46 -9.626 1.188 5.043 1.00 0.00 H new ATOM 707 N ASP X 47 -8.976 1.248 7.956 1.00 0.00 N ATOM 708 CA ASP X 47 -8.723 2.369 8.855 1.00 0.00 C ATOM 709 C ASP X 47 -7.667 3.299 8.265 1.00 0.00 C ATOM 710 O ASP X 47 -7.628 4.487 8.583 1.00 0.00 O ATOM 711 CB ASP X 47 -8.249 1.857 10.217 1.00 0.00 C ATOM 712 CG ASP X 47 -7.574 2.987 10.990 1.00 0.00 C ATOM 713 OD1 ASP X 47 -8.135 4.069 11.026 1.00 0.00 O ATOM 714 OD2 ASP X 47 -6.507 2.751 11.533 1.00 0.00 O ATOM 0 H ASP X 47 -8.154 0.686 7.735 1.00 0.00 H new ATOM 0 HA ASP X 47 -9.653 2.923 8.982 1.00 0.00 H new ATOM 0 HB2 ASP X 47 -9.096 1.471 10.785 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -7.552 1.030 10.082 1.00 0.00 H new ATOM 719 N ALA X 48 -6.815 2.753 7.403 1.00 0.00 N ATOM 720 CA ALA X 48 -5.766 3.550 6.776 1.00 0.00 C ATOM 721 C ALA X 48 -6.365 4.784 6.109 1.00 0.00 C ATOM 722 O ALA X 48 -5.730 5.835 6.039 1.00 0.00 O ATOM 723 CB ALA X 48 -5.022 2.715 5.733 1.00 0.00 C ATOM 0 H ALA X 48 -6.829 1.772 7.125 1.00 0.00 H new ATOM 0 HA ALA X 48 -5.066 3.867 7.549 1.00 0.00 H new ATOM 0 HB1 ALA X 48 -4.242 3.320 5.272 1.00 0.00 H new ATOM 0 HB2 ALA X 48 -4.571 1.848 6.215 1.00 0.00 H new ATOM 0 HB3 ALA X 48 -5.722 2.381 4.967 1.00 0.00 H new ATOM 729 N THR X 49 -7.595 4.646 5.624 1.00 0.00 N ATOM 730 CA THR X 49 -8.276 5.754 4.969 1.00 0.00 C ATOM 731 C THR X 49 -9.529 6.135 5.750 1.00 0.00 C ATOM 732 O THR X 49 -10.223 7.093 5.405 1.00 0.00 O ATOM 733 CB THR X 49 -8.658 5.363 3.540 1.00 0.00 C ATOM 734 OG1 THR X 49 -9.806 6.097 3.140 1.00 0.00 O ATOM 735 CG2 THR X 49 -8.961 3.865 3.483 1.00 0.00 C ATOM 0 H THR X 49 -8.137 3.783 5.672 1.00 0.00 H new ATOM 0 HA THR X 49 -7.602 6.610 4.938 1.00 0.00 H new ATOM 0 HB THR X 49 -7.831 5.589 2.868 1.00 0.00 H new ATOM 0 HG1 THR X 49 -9.926 6.866 3.735 1.00 0.00 H new ATOM 0 HG21 THR X 49 -9.233 3.587 2.465 1.00 0.00 H new ATOM 0 HG22 THR X 49 -8.078 3.303 3.789 1.00 0.00 H new ATOM 0 HG23 THR X 49 -9.788 3.635 4.155 1.00 0.00 H new ATOM 743 N LYS X 50 -9.808 5.377 6.806 1.00 0.00 N ATOM 744 CA LYS X 50 -10.978 5.635 7.640 1.00 0.00 C ATOM 745 C LYS X 50 -12.240 5.703 6.790 1.00 0.00 C ATOM 746 O LYS X 50 -13.059 6.606 6.957 1.00 0.00 O ATOM 747 CB LYS X 50 -10.810 6.959 8.389 1.00 0.00 C ATOM 748 CG LYS X 50 -9.422 7.026 9.030 1.00 0.00 C ATOM 749 CD LYS X 50 -8.910 8.466 8.967 1.00 0.00 C ATOM 750 CE LYS X 50 -7.719 8.631 9.912 1.00 0.00 C ATOM 751 NZ LYS X 50 -7.335 10.069 9.972 1.00 0.00 N ATOM 0 H LYS X 50 -9.243 4.582 7.104 1.00 0.00 H new ATOM 0 HA LYS X 50 -11.070 4.817 8.354 1.00 0.00 H new ATOM 0 HB2 LYS X 50 -10.943 7.794 7.702 1.00 0.00 H new ATOM 0 HB3 LYS X 50 -11.579 7.052 9.156 1.00 0.00 H new ATOM 0 HG2 LYS X 50 -9.469 6.689 10.065 1.00 0.00 H new ATOM 0 HG3 LYS X 50 -8.735 6.359 8.509 1.00 0.00 H new ATOM 0 HD2 LYS X 50 -8.614 8.713 7.947 1.00 0.00 H new ATOM 0 HD3 LYS X 50 -9.705 9.158 9.245 1.00 0.00 H new ATOM 0 HE2 LYS X 50 -7.977 8.270 10.907 1.00 0.00 H new ATOM 0 HE3 LYS X 50 -6.878 8.032 9.564 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 -6.525 10.186 10.614 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 -7.073 10.398 9.021 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 -8.138 10.628 10.323 1.00 0.00 H new ATOM 765 N THR X 51 -12.394 4.751 5.875 1.00 0.00 N ATOM 766 CA THR X 51 -13.568 4.739 5.010 1.00 0.00 C ATOM 767 C THR X 51 -13.965 3.316 4.627 1.00 0.00 C ATOM 768 O THR X 51 -13.113 2.446 4.443 1.00 0.00 O ATOM 769 CB THR X 51 -13.284 5.545 3.740 1.00 0.00 C ATOM 770 OG1 THR X 51 -14.500 5.760 3.036 1.00 0.00 O ATOM 771 CG2 THR X 51 -12.308 4.774 2.851 1.00 0.00 C ATOM 0 H THR X 51 -11.733 3.991 5.715 1.00 0.00 H new ATOM 0 HA THR X 51 -14.394 5.189 5.561 1.00 0.00 H new ATOM 0 HB THR X 51 -12.844 6.505 4.010 1.00 0.00 H new ATOM 0 HG1 THR X 51 -15.256 5.498 3.602 1.00 0.00 H new ATOM 0 HG21 THR X 51 -12.107 5.349 1.947 1.00 0.00 H new ATOM 0 HG22 THR X 51 -11.376 4.609 3.391 1.00 0.00 H new ATOM 0 HG23 THR X 51 -12.745 3.813 2.580 1.00 0.00 H new ATOM 779 N PHE X 52 -15.269 3.101 4.484 1.00 0.00 N ATOM 780 CA PHE X 52 -15.792 1.800 4.091 1.00 0.00 C ATOM 781 C PHE X 52 -16.295 1.891 2.656 1.00 0.00 C ATOM 782 O PHE X 52 -16.640 2.977 2.189 1.00 0.00 O ATOM 783 CB PHE X 52 -16.939 1.381 5.016 1.00 0.00 C ATOM 784 CG PHE X 52 -16.378 0.838 6.311 1.00 0.00 C ATOM 785 CD1 PHE X 52 -15.473 1.600 7.057 1.00 0.00 C ATOM 786 CD2 PHE X 52 -16.767 -0.429 6.765 1.00 0.00 C ATOM 787 CE1 PHE X 52 -14.955 1.097 8.257 1.00 0.00 C ATOM 788 CE2 PHE X 52 -16.250 -0.932 7.965 1.00 0.00 C ATOM 789 CZ PHE X 52 -15.343 -0.170 8.711 1.00 0.00 C ATOM 0 H PHE X 52 -15.983 3.814 4.635 1.00 0.00 H new ATOM 0 HA PHE X 52 -15.001 1.053 4.166 1.00 0.00 H new ATOM 0 HB2 PHE X 52 -17.586 2.235 5.218 1.00 0.00 H new ATOM 0 HB3 PHE X 52 -17.553 0.624 4.529 1.00 0.00 H new ATOM 0 HD1 PHE X 52 -15.173 2.577 6.707 1.00 0.00 H new ATOM 0 HD2 PHE X 52 -17.466 -1.018 6.189 1.00 0.00 H new ATOM 0 HE1 PHE X 52 -14.256 1.686 8.832 1.00 0.00 H new ATOM 0 HE2 PHE X 52 -16.551 -1.908 8.315 1.00 0.00 H new ATOM 0 HZ PHE X 52 -14.943 -0.559 9.636 1.00 0.00 H new ATOM 799 N THR X 53 -16.321 0.772 1.945 1.00 0.00 N ATOM 800 CA THR X 53 -16.770 0.801 0.558 1.00 0.00 C ATOM 801 C THR X 53 -17.561 -0.449 0.182 1.00 0.00 C ATOM 802 O THR X 53 -17.239 -1.559 0.605 1.00 0.00 O ATOM 803 CB THR X 53 -15.558 0.931 -0.365 1.00 0.00 C ATOM 804 OG1 THR X 53 -15.075 2.267 -0.325 1.00 0.00 O ATOM 805 CG2 THR X 53 -15.961 0.576 -1.797 1.00 0.00 C ATOM 0 H THR X 53 -16.044 -0.146 2.293 1.00 0.00 H new ATOM 0 HA THR X 53 -17.433 1.659 0.443 1.00 0.00 H new ATOM 0 HB THR X 53 -14.775 0.250 -0.032 1.00 0.00 H new ATOM 0 HG1 THR X 53 -15.556 2.768 0.366 1.00 0.00 H new ATOM 0 HG21 THR X 53 -15.095 0.670 -2.452 1.00 0.00 H new ATOM 0 HG22 THR X 53 -16.330 -0.449 -1.828 1.00 0.00 H new ATOM 0 HG23 THR X 53 -16.745 1.254 -2.133 1.00 0.00 H new ATOM 813 N VAL X 54 -18.586 -0.248 -0.645 1.00 0.00 N ATOM 814 CA VAL X 54 -19.416 -1.349 -1.120 1.00 0.00 C ATOM 815 C VAL X 54 -19.645 -1.185 -2.618 1.00 0.00 C ATOM 816 O VAL X 54 -20.151 -0.157 -3.065 1.00 0.00 O ATOM 817 CB VAL X 54 -20.768 -1.339 -0.391 1.00 0.00 C ATOM 818 CG1 VAL X 54 -21.419 -2.724 -0.449 1.00 0.00 C ATOM 819 CG2 VAL X 54 -20.557 -0.934 1.070 1.00 0.00 C ATOM 0 H VAL X 54 -18.860 0.669 -0.999 1.00 0.00 H new ATOM 0 HA VAL X 54 -18.914 -2.296 -0.921 1.00 0.00 H new ATOM 0 HB VAL X 54 -21.426 -0.622 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL X 54 -22.376 -2.698 0.072 1.00 0.00 H new ATOM 0 HG12 VAL X 54 -21.580 -3.007 -1.489 1.00 0.00 H new ATOM 0 HG13 VAL X 54 -20.765 -3.454 0.028 1.00 0.00 H new ATOM 0 HG21 VAL X 54 -21.516 -0.927 1.588 1.00 0.00 H new ATOM 0 HG22 VAL X 54 -19.889 -1.648 1.553 1.00 0.00 H new ATOM 0 HG23 VAL X 54 -20.115 0.061 1.111 1.00 0.00 H new ATOM 829 N THR X 55 -19.262 -2.193 -3.395 1.00 0.00 N ATOM 830 CA THR X 55 -19.432 -2.120 -4.842 1.00 0.00 C ATOM 831 C THR X 55 -20.214 -3.321 -5.367 1.00 0.00 C ATOM 832 O THR X 55 -19.737 -4.453 -5.308 1.00 0.00 O ATOM 833 CB THR X 55 -18.060 -2.067 -5.522 1.00 0.00 C ATOM 834 OG1 THR X 55 -17.416 -0.845 -5.189 1.00 0.00 O ATOM 835 CG2 THR X 55 -18.232 -2.153 -7.039 1.00 0.00 C ATOM 0 H THR X 55 -18.839 -3.056 -3.055 1.00 0.00 H new ATOM 0 HA THR X 55 -19.995 -1.216 -5.072 1.00 0.00 H new ATOM 0 HB THR X 55 -17.455 -2.906 -5.179 1.00 0.00 H new ATOM 0 HG1 THR X 55 -16.537 -0.810 -5.622 1.00 0.00 H new ATOM 0 HG21 THR X 55 -17.254 -2.115 -7.519 1.00 0.00 H new ATOM 0 HG22 THR X 55 -18.726 -3.090 -7.297 1.00 0.00 H new ATOM 0 HG23 THR X 55 -18.838 -1.316 -7.384 1.00 0.00 H new ATOM 843 N GLU X 56 -21.408 -3.055 -5.895 1.00 0.00 N ATOM 844 CA GLU X 56 -22.253 -4.112 -6.450 1.00 0.00 C ATOM 845 C GLU X 56 -23.271 -4.595 -5.421 1.00 0.00 C ATOM 846 O GLU X 56 -23.110 -5.700 -4.932 1.00 0.00 O ATOM 847 CB GLU X 56 -21.391 -5.288 -6.915 1.00 0.00 C ATOM 848 CG GLU X 56 -22.148 -6.081 -7.984 1.00 0.00 C ATOM 849 CD GLU X 56 -21.874 -5.488 -9.362 1.00 0.00 C ATOM 850 OE1 GLU X 56 -21.089 -4.557 -9.440 1.00 0.00 O ATOM 851 OE2 GLU X 56 -22.451 -5.975 -10.320 1.00 0.00 O ATOM 852 OXT GLU X 56 -24.201 -3.856 -5.145 1.00 0.00 O ATOM 0 H GLU X 56 -21.811 -2.120 -5.950 1.00 0.00 H new ATOM 0 HA GLU X 56 -22.792 -3.700 -7.303 1.00 0.00 H new ATOM 0 HB2 GLU X 56 -20.446 -4.924 -7.318 1.00 0.00 H new ATOM 0 HB3 GLU X 56 -21.150 -5.933 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU X 56 -21.839 -7.126 -7.960 1.00 0.00 H new ATOM 0 HG3 GLU X 56 -23.218 -6.060 -7.776 1.00 0.00 H new TER 859 GLU X 56