USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=21 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 16 THR OG1 : rot 173:sc= 1.09! USER MOD Set 1.2: X 33 TYR OH : rot -106:sc= 0.147! USER MOD Set 2.1: X 4 LYS NZ :NH3+ -162:sc= 0.882 (180deg=-0.187) USER MOD Set 2.2: X 17 THR OG1 : rot -150:sc= 1.01 USER MOD Set 3.1: X 1 MET N :NH3+ 133:sc= -2.21! (180deg=-2.33!) USER MOD Set 3.2: X 2 GLN : amide:sc= -2.42! C(o=-4.6!,f=-13!) USER MOD Single : X 1 MET CE :methyl -126:sc= -0.509 (180deg=-1.17) USER MOD Single : X 3 TYR OH : rot 72:sc= -5.76! USER MOD Single : X 8 ASN : amide:sc= -1.81! K(o=-1.8!,f=-0.85) USER MOD Single : X 10 LYS NZ :NH3+ -169:sc= 0.226! (180deg=-0.213!) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0 USER MOD Single : X 13 LYS NZ :NH3+ 160:sc= -0.0131 (180deg=-0.45) USER MOD Single : X 18 THR OG1 : rot 180:sc= -0.0901 USER MOD Single : X 25 THR OG1 : rot -47:sc= 0.107! USER MOD Single : X 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0267) USER MOD Single : X 31 LYS NZ :NH3+ -143:sc= -1.54! (180deg=-3.46!) USER MOD Single : X 32 GLN : amide:sc= -0.0483 K(o=-0.048,f=-1.6!) USER MOD Single : X 35 ASN : amide:sc= -0.0193 K(o=-0.019,f=-1.8!) USER MOD Single : X 37 ASN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.118 USER MOD Single : X 45 TYR OH : rot 70:sc= -4.44! USER MOD Single : X 49 THR OG1 : rot 180:sc= 0 USER MOD Single : X 50 LYS NZ :NH3+ 161:sc=-0.00423 (180deg=-0.244) USER MOD Single : X 51 THR OG1 : rot 56:sc= 1.15 USER MOD Single : X 53 THR OG1 : rot 180:sc= 0 USER MOD Single : X 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 13.454 6.394 15.312 1.00 0.00 N ATOM 2 CA MET X 1 14.339 5.290 15.778 1.00 0.00 C ATOM 3 C MET X 1 14.335 4.169 14.746 1.00 0.00 C ATOM 4 O MET X 1 15.214 3.307 14.748 1.00 0.00 O ATOM 5 CB MET X 1 13.829 4.762 17.122 1.00 0.00 C ATOM 6 CG MET X 1 12.349 4.394 16.996 1.00 0.00 C ATOM 7 SD MET X 1 12.180 2.594 16.901 1.00 0.00 S ATOM 8 CE MET X 1 12.705 2.227 18.594 1.00 0.00 C ATOM 0 H1 MET X 1 12.833 6.693 16.091 1.00 0.00 H new ATOM 0 H2 MET X 1 14.036 7.199 15.004 1.00 0.00 H new ATOM 0 H3 MET X 1 12.874 6.061 14.515 1.00 0.00 H new ATOM 0 HA MET X 1 15.356 5.661 15.901 1.00 0.00 H new ATOM 0 HB2 MET X 1 14.407 3.889 17.425 1.00 0.00 H new ATOM 0 HB3 MET X 1 13.962 5.518 17.896 1.00 0.00 H new ATOM 0 HG2 MET X 1 11.794 4.777 17.852 1.00 0.00 H new ATOM 0 HG3 MET X 1 11.923 4.857 16.106 1.00 0.00 H new ATOM 0 HE1 MET X 1 13.520 1.503 18.573 1.00 0.00 H new ATOM 0 HE2 MET X 1 13.046 3.143 19.076 1.00 0.00 H new ATOM 0 HE3 MET X 1 11.866 1.813 19.153 1.00 0.00 H new ATOM 19 N GLN X 2 13.336 4.180 13.871 1.00 0.00 N ATOM 20 CA GLN X 2 13.221 3.153 12.842 1.00 0.00 C ATOM 21 C GLN X 2 13.906 3.590 11.551 1.00 0.00 C ATOM 22 O GLN X 2 13.700 4.706 11.072 1.00 0.00 O ATOM 23 CB GLN X 2 11.746 2.861 12.564 1.00 0.00 C ATOM 24 CG GLN X 2 10.886 3.492 13.659 1.00 0.00 C ATOM 25 CD GLN X 2 10.760 4.993 13.421 1.00 0.00 C ATOM 26 OE1 GLN X 2 11.704 5.630 12.958 1.00 0.00 O ATOM 27 NE2 GLN X 2 9.641 5.598 13.714 1.00 0.00 N ATOM 0 H GLN X 2 12.598 4.884 13.853 1.00 0.00 H new ATOM 0 HA GLN X 2 13.713 2.251 13.206 1.00 0.00 H new ATOM 0 HB2 GLN X 2 11.463 3.259 11.590 1.00 0.00 H new ATOM 0 HB3 GLN X 2 11.578 1.785 12.530 1.00 0.00 H new ATOM 0 HG2 GLN X 2 9.898 3.032 13.667 1.00 0.00 H new ATOM 0 HG3 GLN X 2 11.332 3.306 14.636 1.00 0.00 H new ATOM 0 HE21 GLN X 2 8.859 5.067 14.098 1.00 0.00 H new ATOM 0 HE22 GLN X 2 9.548 6.602 13.559 1.00 0.00 H new ATOM 36 N TYR X 3 14.715 2.696 10.991 1.00 0.00 N ATOM 37 CA TYR X 3 15.421 2.989 9.752 1.00 0.00 C ATOM 38 C TYR X 3 15.141 1.918 8.714 1.00 0.00 C ATOM 39 O TYR X 3 14.883 0.762 9.049 1.00 0.00 O ATOM 40 CB TYR X 3 16.926 3.069 10.001 1.00 0.00 C ATOM 41 CG TYR X 3 17.175 3.109 11.487 1.00 0.00 C ATOM 42 CD1 TYR X 3 16.930 1.972 12.263 1.00 0.00 C ATOM 43 CD2 TYR X 3 17.637 4.285 12.088 1.00 0.00 C ATOM 44 CE1 TYR X 3 17.147 2.009 13.642 1.00 0.00 C ATOM 45 CE2 TYR X 3 17.857 4.321 13.468 1.00 0.00 C ATOM 46 CZ TYR X 3 17.610 3.183 14.244 1.00 0.00 C ATOM 47 OH TYR X 3 17.818 3.220 15.606 1.00 0.00 O ATOM 0 H TYR X 3 14.896 1.768 11.374 1.00 0.00 H new ATOM 0 HA TYR X 3 15.066 3.950 9.381 1.00 0.00 H new ATOM 0 HB2 TYR X 3 17.427 2.208 9.558 1.00 0.00 H new ATOM 0 HB3 TYR X 3 17.340 3.958 9.526 1.00 0.00 H new ATOM 0 HD1 TYR X 3 16.573 1.066 11.796 1.00 0.00 H new ATOM 0 HD2 TYR X 3 17.823 5.163 11.487 1.00 0.00 H new ATOM 0 HE1 TYR X 3 16.957 1.132 14.243 1.00 0.00 H new ATOM 0 HE2 TYR X 3 18.217 5.226 13.935 1.00 0.00 H new ATOM 0 HH TYR X 3 18.611 2.689 15.830 1.00 0.00 H new ATOM 57 N LYS X 4 15.192 2.314 7.450 1.00 0.00 N ATOM 58 CA LYS X 4 14.941 1.379 6.362 1.00 0.00 C ATOM 59 C LYS X 4 16.157 1.275 5.456 1.00 0.00 C ATOM 60 O LYS X 4 16.851 2.261 5.211 1.00 0.00 O ATOM 61 CB LYS X 4 13.732 1.837 5.546 1.00 0.00 C ATOM 62 CG LYS X 4 12.479 1.794 6.421 1.00 0.00 C ATOM 63 CD LYS X 4 11.962 0.356 6.496 1.00 0.00 C ATOM 64 CE LYS X 4 10.560 0.349 7.108 1.00 0.00 C ATOM 65 NZ LYS X 4 9.990 -1.025 7.023 1.00 0.00 N ATOM 0 H LYS X 4 15.403 3.267 7.154 1.00 0.00 H new ATOM 0 HA LYS X 4 14.737 0.398 6.792 1.00 0.00 H new ATOM 0 HB2 LYS X 4 13.894 2.849 5.174 1.00 0.00 H new ATOM 0 HB3 LYS X 4 13.603 1.194 4.676 1.00 0.00 H new ATOM 0 HG2 LYS X 4 12.707 2.163 7.421 1.00 0.00 H new ATOM 0 HG3 LYS X 4 11.711 2.448 6.008 1.00 0.00 H new ATOM 0 HD2 LYS X 4 11.938 -0.085 5.500 1.00 0.00 H new ATOM 0 HD3 LYS X 4 12.636 -0.253 7.098 1.00 0.00 H new ATOM 0 HE2 LYS X 4 10.603 0.673 8.148 1.00 0.00 H new ATOM 0 HE3 LYS X 4 9.918 1.054 6.581 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 8.958 -0.981 7.146 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 10.210 -1.435 6.093 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 10.403 -1.619 7.770 1.00 0.00 H new ATOM 79 N LEU X 5 16.406 0.073 4.958 1.00 0.00 N ATOM 80 CA LEU X 5 17.538 -0.153 4.075 1.00 0.00 C ATOM 81 C LEU X 5 17.053 -0.652 2.714 1.00 0.00 C ATOM 82 O LEU X 5 16.369 -1.672 2.624 1.00 0.00 O ATOM 83 CB LEU X 5 18.477 -1.192 4.691 1.00 0.00 C ATOM 84 CG LEU X 5 19.945 -0.754 4.550 1.00 0.00 C ATOM 85 CD1 LEU X 5 20.850 -1.978 4.707 1.00 0.00 C ATOM 86 CD2 LEU X 5 20.191 -0.126 3.170 1.00 0.00 C ATOM 0 H LEU X 5 15.843 -0.756 5.149 1.00 0.00 H new ATOM 0 HA LEU X 5 18.072 0.788 3.942 1.00 0.00 H new ATOM 0 HB2 LEU X 5 18.233 -1.329 5.745 1.00 0.00 H new ATOM 0 HB3 LEU X 5 18.332 -2.155 4.202 1.00 0.00 H new ATOM 0 HG LEU X 5 20.167 -0.015 5.320 1.00 0.00 H new ATOM 0 HD11 LEU X 5 21.892 -1.675 4.608 1.00 0.00 H new ATOM 0 HD12 LEU X 5 20.693 -2.423 5.690 1.00 0.00 H new ATOM 0 HD13 LEU X 5 20.610 -2.709 3.935 1.00 0.00 H new ATOM 0 HD21 LEU X 5 21.235 0.177 3.089 1.00 0.00 H new ATOM 0 HD22 LEU X 5 19.964 -0.856 2.393 1.00 0.00 H new ATOM 0 HD23 LEU X 5 19.549 0.746 3.048 1.00 0.00 H new ATOM 98 N ILE X 6 17.422 0.066 1.660 1.00 0.00 N ATOM 99 CA ILE X 6 17.034 -0.315 0.306 1.00 0.00 C ATOM 100 C ILE X 6 18.266 -0.657 -0.516 1.00 0.00 C ATOM 101 O ILE X 6 19.256 0.075 -0.499 1.00 0.00 O ATOM 102 CB ILE X 6 16.269 0.820 -0.370 1.00 0.00 C ATOM 103 CG1 ILE X 6 14.801 0.755 0.050 1.00 0.00 C ATOM 104 CG2 ILE X 6 16.371 0.675 -1.890 1.00 0.00 C ATOM 105 CD1 ILE X 6 14.048 -0.223 -0.853 1.00 0.00 C ATOM 0 H ILE X 6 17.988 0.913 1.716 1.00 0.00 H new ATOM 0 HA ILE X 6 16.388 -1.191 0.368 1.00 0.00 H new ATOM 0 HB ILE X 6 16.696 1.777 -0.070 1.00 0.00 H new ATOM 0 HG12 ILE X 6 14.724 0.437 1.090 1.00 0.00 H new ATOM 0 HG13 ILE X 6 14.350 1.745 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE X 6 15.824 1.486 -2.370 1.00 0.00 H new ATOM 0 HG22 ILE X 6 17.418 0.716 -2.190 1.00 0.00 H new ATOM 0 HG23 ILE X 6 15.943 -0.281 -2.194 1.00 0.00 H new ATOM 0 HD11 ILE X 6 13.002 -0.266 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE X 6 14.113 0.114 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE X 6 14.492 -1.215 -0.766 1.00 0.00 H new ATOM 117 N LEU X 7 18.203 -1.767 -1.238 1.00 0.00 N ATOM 118 CA LEU X 7 19.326 -2.183 -2.065 1.00 0.00 C ATOM 119 C LEU X 7 18.964 -2.092 -3.543 1.00 0.00 C ATOM 120 O LEU X 7 17.936 -2.612 -3.978 1.00 0.00 O ATOM 121 CB LEU X 7 19.738 -3.614 -1.713 1.00 0.00 C ATOM 122 CG LEU X 7 20.639 -3.591 -0.478 1.00 0.00 C ATOM 123 CD1 LEU X 7 21.957 -2.892 -0.818 1.00 0.00 C ATOM 124 CD2 LEU X 7 19.937 -2.829 0.650 1.00 0.00 C ATOM 0 H LEU X 7 17.396 -2.389 -1.268 1.00 0.00 H new ATOM 0 HA LEU X 7 20.165 -1.515 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU X 7 18.854 -4.222 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU X 7 20.263 -4.070 -2.552 1.00 0.00 H new ATOM 0 HG LEU X 7 20.842 -4.613 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU X 7 22.598 -2.876 0.063 1.00 0.00 H new ATOM 0 HD12 LEU X 7 22.458 -3.431 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU X 7 21.755 -1.870 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU X 7 20.578 -2.812 1.531 1.00 0.00 H new ATOM 0 HD22 LEU X 7 19.735 -1.807 0.328 1.00 0.00 H new ATOM 0 HD23 LEU X 7 18.998 -3.325 0.894 1.00 0.00 H new ATOM 136 N ASN X 8 19.816 -1.416 -4.304 1.00 0.00 N ATOM 137 CA ASN X 8 19.589 -1.241 -5.730 1.00 0.00 C ATOM 138 C ASN X 8 20.865 -1.532 -6.508 1.00 0.00 C ATOM 139 O ASN X 8 21.792 -2.157 -5.992 1.00 0.00 O ATOM 140 CB ASN X 8 19.130 0.192 -6.010 1.00 0.00 C ATOM 141 CG ASN X 8 18.108 0.210 -7.143 1.00 0.00 C ATOM 142 OD1 ASN X 8 18.109 1.126 -7.964 1.00 0.00 O ATOM 143 ND2 ASN X 8 17.230 -0.752 -7.234 1.00 0.00 N ATOM 0 H ASN X 8 20.670 -0.981 -3.956 1.00 0.00 H new ATOM 0 HA ASN X 8 18.814 -1.938 -6.050 1.00 0.00 H new ATOM 0 HB2 ASN X 8 18.692 0.623 -5.110 1.00 0.00 H new ATOM 0 HB3 ASN X 8 19.988 0.810 -6.275 1.00 0.00 H new ATOM 0 HD21 ASN X 8 16.542 -0.745 -7.987 1.00 0.00 H new ATOM 0 HD22 ASN X 8 17.232 -1.510 -6.552 1.00 0.00 H new ATOM 150 N GLY X 9 20.906 -1.074 -7.751 1.00 0.00 N ATOM 151 CA GLY X 9 22.073 -1.290 -8.598 1.00 0.00 C ATOM 152 C GLY X 9 21.656 -1.729 -9.996 1.00 0.00 C ATOM 153 O GLY X 9 20.526 -1.492 -10.423 1.00 0.00 O ATOM 0 H GLY X 9 20.150 -0.553 -8.195 1.00 0.00 H new ATOM 0 HA2 GLY X 9 22.657 -0.372 -8.660 1.00 0.00 H new ATOM 0 HA3 GLY X 9 22.716 -2.048 -8.151 1.00 0.00 H new ATOM 157 N LYS X 10 22.577 -2.375 -10.705 1.00 0.00 N ATOM 158 CA LYS X 10 22.296 -2.849 -12.056 1.00 0.00 C ATOM 159 C LYS X 10 21.324 -4.008 -12.011 1.00 0.00 C ATOM 160 O LYS X 10 20.200 -3.926 -12.505 1.00 0.00 O ATOM 161 CB LYS X 10 23.580 -3.343 -12.724 1.00 0.00 C ATOM 162 CG LYS X 10 24.736 -2.392 -12.398 1.00 0.00 C ATOM 163 CD LYS X 10 24.291 -0.945 -12.623 1.00 0.00 C ATOM 164 CE LYS X 10 25.461 0.003 -12.344 1.00 0.00 C ATOM 165 NZ LYS X 10 24.942 1.265 -11.746 1.00 0.00 N ATOM 0 H LYS X 10 23.518 -2.581 -10.369 1.00 0.00 H new ATOM 0 HA LYS X 10 21.872 -2.018 -12.620 1.00 0.00 H new ATOM 0 HB2 LYS X 10 23.817 -4.349 -12.378 1.00 0.00 H new ATOM 0 HB3 LYS X 10 23.439 -3.402 -13.803 1.00 0.00 H new ATOM 0 HG2 LYS X 10 25.052 -2.529 -11.364 1.00 0.00 H new ATOM 0 HG3 LYS X 10 25.596 -2.620 -13.027 1.00 0.00 H new ATOM 0 HD2 LYS X 10 23.942 -0.817 -13.648 1.00 0.00 H new ATOM 0 HD3 LYS X 10 23.453 -0.706 -11.969 1.00 0.00 H new ATOM 0 HE2 LYS X 10 26.172 -0.469 -11.666 1.00 0.00 H new ATOM 0 HE3 LYS X 10 25.997 0.219 -13.268 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 25.699 1.978 -11.728 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 24.148 1.619 -12.317 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 24.616 1.081 -10.776 1.00 0.00 H new ATOM 179 N THR X 11 21.795 -5.091 -11.436 1.00 0.00 N ATOM 180 CA THR X 11 21.008 -6.293 -11.341 1.00 0.00 C ATOM 181 C THR X 11 20.977 -6.790 -9.898 1.00 0.00 C ATOM 182 O THR X 11 20.747 -7.971 -9.632 1.00 0.00 O ATOM 183 CB THR X 11 21.629 -7.324 -12.278 1.00 0.00 C ATOM 184 OG1 THR X 11 21.297 -6.989 -13.619 1.00 0.00 O ATOM 185 CG2 THR X 11 21.100 -8.706 -11.962 1.00 0.00 C ATOM 0 H THR X 11 22.726 -5.161 -11.025 1.00 0.00 H new ATOM 0 HA THR X 11 19.975 -6.108 -11.634 1.00 0.00 H new ATOM 0 HB THR X 11 22.711 -7.322 -12.147 1.00 0.00 H new ATOM 0 HG1 THR X 11 21.694 -7.646 -14.228 1.00 0.00 H new ATOM 0 HG21 THR X 11 21.552 -9.432 -12.638 1.00 0.00 H new ATOM 0 HG22 THR X 11 21.350 -8.965 -10.933 1.00 0.00 H new ATOM 0 HG23 THR X 11 20.017 -8.718 -12.087 1.00 0.00 H new ATOM 193 N LEU X 12 21.217 -5.869 -8.970 1.00 0.00 N ATOM 194 CA LEU X 12 21.223 -6.197 -7.548 1.00 0.00 C ATOM 195 C LEU X 12 20.213 -5.334 -6.798 1.00 0.00 C ATOM 196 O LEU X 12 20.440 -4.145 -6.580 1.00 0.00 O ATOM 197 CB LEU X 12 22.616 -5.959 -6.965 1.00 0.00 C ATOM 198 CG LEU X 12 22.759 -6.684 -5.622 1.00 0.00 C ATOM 199 CD1 LEU X 12 21.703 -6.185 -4.635 1.00 0.00 C ATOM 200 CD2 LEU X 12 22.579 -8.189 -5.834 1.00 0.00 C ATOM 0 H LEU X 12 21.410 -4.889 -9.177 1.00 0.00 H new ATOM 0 HA LEU X 12 20.951 -7.247 -7.435 1.00 0.00 H new ATOM 0 HB2 LEU X 12 23.375 -6.315 -7.661 1.00 0.00 H new ATOM 0 HB3 LEU X 12 22.784 -4.891 -6.829 1.00 0.00 H new ATOM 0 HG LEU X 12 23.750 -6.482 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU X 12 21.816 -6.708 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU X 12 21.830 -5.114 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU X 12 20.709 -6.376 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU X 12 22.681 -8.706 -4.880 1.00 0.00 H new ATOM 0 HD22 LEU X 12 21.589 -8.382 -6.248 1.00 0.00 H new ATOM 0 HD23 LEU X 12 23.339 -8.552 -6.526 1.00 0.00 H new ATOM 212 N LYS X 13 19.106 -5.941 -6.394 1.00 0.00 N ATOM 213 CA LYS X 13 18.085 -5.211 -5.657 1.00 0.00 C ATOM 214 C LYS X 13 17.664 -5.987 -4.420 1.00 0.00 C ATOM 215 O LYS X 13 17.517 -7.208 -4.458 1.00 0.00 O ATOM 216 CB LYS X 13 16.862 -4.963 -6.534 1.00 0.00 C ATOM 217 CG LYS X 13 15.707 -4.477 -5.654 1.00 0.00 C ATOM 218 CD LYS X 13 14.729 -5.627 -5.418 1.00 0.00 C ATOM 219 CE LYS X 13 13.818 -5.288 -4.236 1.00 0.00 C ATOM 220 NZ LYS X 13 13.278 -3.910 -4.405 1.00 0.00 N ATOM 0 H LYS X 13 18.893 -6.924 -6.561 1.00 0.00 H new ATOM 0 HA LYS X 13 18.510 -4.254 -5.356 1.00 0.00 H new ATOM 0 HB2 LYS X 13 17.091 -4.220 -7.298 1.00 0.00 H new ATOM 0 HB3 LYS X 13 16.580 -5.879 -7.054 1.00 0.00 H new ATOM 0 HG2 LYS X 13 16.090 -4.110 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS X 13 15.195 -3.643 -6.134 1.00 0.00 H new ATOM 0 HD2 LYS X 13 14.132 -5.800 -6.313 1.00 0.00 H new ATOM 0 HD3 LYS X 13 15.276 -6.548 -5.217 1.00 0.00 H new ATOM 0 HE2 LYS X 13 13.000 -6.006 -4.176 1.00 0.00 H new ATOM 0 HE3 LYS X 13 14.375 -5.360 -3.302 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 12.426 -3.797 -3.820 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 13.995 -3.217 -4.109 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 13.036 -3.752 -5.404 1.00 0.00 H new ATOM 234 N GLY X 14 17.470 -5.265 -3.328 1.00 0.00 N ATOM 235 CA GLY X 14 17.063 -5.885 -2.079 1.00 0.00 C ATOM 236 C GLY X 14 16.419 -4.860 -1.157 1.00 0.00 C ATOM 237 O GLY X 14 16.757 -3.677 -1.193 1.00 0.00 O ATOM 0 H GLY X 14 17.587 -4.253 -3.282 1.00 0.00 H new ATOM 0 HA2 GLY X 14 16.360 -6.693 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY X 14 17.929 -6.330 -1.589 1.00 0.00 H new ATOM 241 N GLU X 15 15.492 -5.322 -0.326 1.00 0.00 N ATOM 242 CA GLU X 15 14.813 -4.438 0.610 1.00 0.00 C ATOM 243 C GLU X 15 14.851 -5.037 2.011 1.00 0.00 C ATOM 244 O GLU X 15 14.642 -6.238 2.184 1.00 0.00 O ATOM 245 CB GLU X 15 13.360 -4.235 0.175 1.00 0.00 C ATOM 246 CG GLU X 15 12.623 -3.407 1.228 1.00 0.00 C ATOM 247 CD GLU X 15 11.359 -2.806 0.625 1.00 0.00 C ATOM 248 OE1 GLU X 15 10.777 -3.444 -0.236 1.00 0.00 O ATOM 249 OE2 GLU X 15 10.993 -1.715 1.031 1.00 0.00 O ATOM 0 H GLU X 15 15.196 -6.297 -0.282 1.00 0.00 H new ATOM 0 HA GLU X 15 15.322 -3.474 0.619 1.00 0.00 H new ATOM 0 HB2 GLU X 15 13.325 -3.729 -0.790 1.00 0.00 H new ATOM 0 HB3 GLU X 15 12.869 -5.200 0.047 1.00 0.00 H new ATOM 0 HG2 GLU X 15 12.366 -4.034 2.082 1.00 0.00 H new ATOM 0 HG3 GLU X 15 13.272 -2.614 1.599 1.00 0.00 H new ATOM 256 N THR X 16 15.138 -4.203 3.004 1.00 0.00 N ATOM 257 CA THR X 16 15.220 -4.677 4.381 1.00 0.00 C ATOM 258 C THR X 16 14.606 -3.672 5.348 1.00 0.00 C ATOM 259 O THR X 16 14.484 -2.487 5.039 1.00 0.00 O ATOM 260 CB THR X 16 16.686 -4.900 4.757 1.00 0.00 C ATOM 261 OG1 THR X 16 17.111 -6.162 4.266 1.00 0.00 O ATOM 262 CG2 THR X 16 16.839 -4.866 6.278 1.00 0.00 C ATOM 0 H THR X 16 15.316 -3.206 2.884 1.00 0.00 H new ATOM 0 HA THR X 16 14.664 -5.612 4.452 1.00 0.00 H new ATOM 0 HB THR X 16 17.297 -4.112 4.317 1.00 0.00 H new ATOM 0 HG1 THR X 16 18.076 -6.260 4.407 1.00 0.00 H new ATOM 0 HG21 THR X 16 17.884 -5.025 6.542 1.00 0.00 H new ATOM 0 HG22 THR X 16 16.513 -3.897 6.655 1.00 0.00 H new ATOM 0 HG23 THR X 16 16.229 -5.652 6.723 1.00 0.00 H new ATOM 270 N THR X 17 14.236 -4.157 6.529 1.00 0.00 N ATOM 271 CA THR X 17 13.651 -3.302 7.554 1.00 0.00 C ATOM 272 C THR X 17 14.153 -3.728 8.929 1.00 0.00 C ATOM 273 O THR X 17 14.127 -4.912 9.268 1.00 0.00 O ATOM 274 CB THR X 17 12.125 -3.393 7.508 1.00 0.00 C ATOM 275 OG1 THR X 17 11.570 -2.541 8.502 1.00 0.00 O ATOM 276 CG2 THR X 17 11.689 -4.835 7.767 1.00 0.00 C ATOM 0 H THR X 17 14.331 -5.136 6.799 1.00 0.00 H new ATOM 0 HA THR X 17 13.949 -2.270 7.366 1.00 0.00 H new ATOM 0 HB THR X 17 11.772 -3.081 6.525 1.00 0.00 H new ATOM 0 HG1 THR X 17 10.717 -2.911 8.811 1.00 0.00 H new ATOM 0 HG21 THR X 17 10.601 -4.898 7.734 1.00 0.00 H new ATOM 0 HG22 THR X 17 12.114 -5.486 7.003 1.00 0.00 H new ATOM 0 HG23 THR X 17 12.041 -5.151 8.749 1.00 0.00 H new ATOM 284 N THR X 18 14.621 -2.765 9.715 1.00 0.00 N ATOM 285 CA THR X 18 15.138 -3.067 11.046 1.00 0.00 C ATOM 286 C THR X 18 14.826 -1.941 12.021 1.00 0.00 C ATOM 287 O THR X 18 14.694 -0.782 11.628 1.00 0.00 O ATOM 288 CB THR X 18 16.652 -3.271 10.981 1.00 0.00 C ATOM 289 OG1 THR X 18 16.985 -3.938 9.772 1.00 0.00 O ATOM 290 CG2 THR X 18 17.111 -4.112 12.173 1.00 0.00 C ATOM 0 H THR X 18 14.654 -1.778 9.458 1.00 0.00 H new ATOM 0 HA THR X 18 14.655 -3.979 11.398 1.00 0.00 H new ATOM 0 HB THR X 18 17.150 -2.302 11.013 1.00 0.00 H new ATOM 0 HG1 THR X 18 17.955 -4.069 9.727 1.00 0.00 H new ATOM 0 HG21 THR X 18 18.190 -4.255 12.123 1.00 0.00 H new ATOM 0 HG22 THR X 18 16.855 -3.599 13.100 1.00 0.00 H new ATOM 0 HG23 THR X 18 16.615 -5.082 12.146 1.00 0.00 H new ATOM 298 N GLU X 19 14.717 -2.293 13.296 1.00 0.00 N ATOM 299 CA GLU X 19 14.428 -1.308 14.327 1.00 0.00 C ATOM 300 C GLU X 19 15.498 -1.347 15.411 1.00 0.00 C ATOM 301 O GLU X 19 15.905 -2.420 15.857 1.00 0.00 O ATOM 302 CB GLU X 19 13.059 -1.586 14.944 1.00 0.00 C ATOM 303 CG GLU X 19 12.317 -0.264 15.133 1.00 0.00 C ATOM 304 CD GLU X 19 11.102 -0.471 16.033 1.00 0.00 C ATOM 305 OE1 GLU X 19 10.996 -1.537 16.616 1.00 0.00 O ATOM 306 OE2 GLU X 19 10.297 0.441 16.128 1.00 0.00 O ATOM 0 H GLU X 19 14.824 -3.248 13.638 1.00 0.00 H new ATOM 0 HA GLU X 19 14.423 -0.318 13.872 1.00 0.00 H new ATOM 0 HB2 GLU X 19 12.484 -2.251 14.299 1.00 0.00 H new ATOM 0 HB3 GLU X 19 13.174 -2.093 15.902 1.00 0.00 H new ATOM 0 HG2 GLU X 19 12.984 0.477 15.573 1.00 0.00 H new ATOM 0 HG3 GLU X 19 12.001 0.127 14.166 1.00 0.00 H new ATOM 313 N ALA X 20 15.958 -0.172 15.823 1.00 0.00 N ATOM 314 CA ALA X 20 16.990 -0.084 16.848 1.00 0.00 C ATOM 315 C ALA X 20 16.712 1.065 17.805 1.00 0.00 C ATOM 316 O ALA X 20 15.753 1.817 17.632 1.00 0.00 O ATOM 317 CB ALA X 20 18.356 0.129 16.197 1.00 0.00 C ATOM 0 H ALA X 20 15.635 0.727 15.466 1.00 0.00 H new ATOM 0 HA ALA X 20 16.987 -1.019 17.408 1.00 0.00 H new ATOM 0 HB1 ALA X 20 19.121 0.194 16.970 1.00 0.00 H new ATOM 0 HB2 ALA X 20 18.578 -0.708 15.535 1.00 0.00 H new ATOM 0 HB3 ALA X 20 18.344 1.054 15.620 1.00 0.00 H new ATOM 323 N VAL X 21 17.576 1.204 18.800 1.00 0.00 N ATOM 324 CA VAL X 21 17.441 2.277 19.770 1.00 0.00 C ATOM 325 C VAL X 21 17.757 3.602 19.103 1.00 0.00 C ATOM 326 O VAL X 21 17.114 4.618 19.368 1.00 0.00 O ATOM 327 CB VAL X 21 18.413 2.056 20.923 1.00 0.00 C ATOM 328 CG1 VAL X 21 18.486 3.322 21.779 1.00 0.00 C ATOM 329 CG2 VAL X 21 17.923 0.888 21.782 1.00 0.00 C ATOM 0 H VAL X 21 18.375 0.589 18.955 1.00 0.00 H new ATOM 0 HA VAL X 21 16.420 2.288 20.152 1.00 0.00 H new ATOM 0 HB VAL X 21 19.403 1.828 20.527 1.00 0.00 H new ATOM 0 HG11 VAL X 21 19.181 3.164 22.604 1.00 0.00 H new ATOM 0 HG12 VAL X 21 18.832 4.155 21.167 1.00 0.00 H new ATOM 0 HG13 VAL X 21 17.497 3.550 22.177 1.00 0.00 H new ATOM 0 HG21 VAL X 21 18.616 0.728 22.608 1.00 0.00 H new ATOM 0 HG22 VAL X 21 16.934 1.118 22.178 1.00 0.00 H new ATOM 0 HG23 VAL X 21 17.869 -0.014 21.173 1.00 0.00 H new ATOM 339 N ASP X 22 18.756 3.576 18.237 1.00 0.00 N ATOM 340 CA ASP X 22 19.168 4.769 17.524 1.00 0.00 C ATOM 341 C ASP X 22 19.860 4.387 16.231 1.00 0.00 C ATOM 342 O ASP X 22 20.127 3.212 15.980 1.00 0.00 O ATOM 343 CB ASP X 22 20.121 5.591 18.391 1.00 0.00 C ATOM 344 CG ASP X 22 21.434 4.838 18.580 1.00 0.00 C ATOM 345 OD1 ASP X 22 21.609 3.822 17.928 1.00 0.00 O ATOM 346 OD2 ASP X 22 22.243 5.289 19.373 1.00 0.00 O ATOM 0 H ASP X 22 19.296 2.740 18.012 1.00 0.00 H new ATOM 0 HA ASP X 22 18.285 5.365 17.295 1.00 0.00 H new ATOM 0 HB2 ASP X 22 20.310 6.557 17.923 1.00 0.00 H new ATOM 0 HB3 ASP X 22 19.664 5.791 19.360 1.00 0.00 H new ATOM 351 N ALA X 23 20.147 5.386 15.407 1.00 0.00 N ATOM 352 CA ALA X 23 20.808 5.143 14.133 1.00 0.00 C ATOM 353 C ALA X 23 22.273 4.797 14.344 1.00 0.00 C ATOM 354 O ALA X 23 22.857 4.045 13.567 1.00 0.00 O ATOM 355 CB ALA X 23 20.696 6.382 13.246 1.00 0.00 C ATOM 0 H ALA X 23 19.934 6.365 15.596 1.00 0.00 H new ATOM 0 HA ALA X 23 20.318 4.300 13.646 1.00 0.00 H new ATOM 0 HB1 ALA X 23 21.193 6.194 12.294 1.00 0.00 H new ATOM 0 HB2 ALA X 23 19.645 6.609 13.068 1.00 0.00 H new ATOM 0 HB3 ALA X 23 21.171 7.229 13.742 1.00 0.00 H new ATOM 361 N ALA X 24 22.865 5.342 15.401 1.00 0.00 N ATOM 362 CA ALA X 24 24.263 5.062 15.684 1.00 0.00 C ATOM 363 C ALA X 24 24.457 3.558 15.802 1.00 0.00 C ATOM 364 O ALA X 24 25.445 3.007 15.319 1.00 0.00 O ATOM 365 CB ALA X 24 24.685 5.745 16.986 1.00 0.00 C ATOM 0 H ALA X 24 22.407 5.968 16.063 1.00 0.00 H new ATOM 0 HA ALA X 24 24.880 5.448 14.873 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.734 5.528 17.187 1.00 0.00 H new ATOM 0 HB2 ALA X 24 24.549 6.822 16.892 1.00 0.00 H new ATOM 0 HB3 ALA X 24 24.073 5.372 17.807 1.00 0.00 H new ATOM 371 N THR X 25 23.489 2.898 16.430 1.00 0.00 N ATOM 372 CA THR X 25 23.545 1.452 16.584 1.00 0.00 C ATOM 373 C THR X 25 23.130 0.766 15.287 1.00 0.00 C ATOM 374 O THR X 25 23.791 -0.160 14.817 1.00 0.00 O ATOM 375 CB THR X 25 22.618 1.009 17.719 1.00 0.00 C ATOM 376 OG1 THR X 25 21.319 1.541 17.503 1.00 0.00 O ATOM 377 CG2 THR X 25 23.163 1.515 19.056 1.00 0.00 C ATOM 0 H THR X 25 22.664 3.338 16.837 1.00 0.00 H new ATOM 0 HA THR X 25 24.569 1.168 16.824 1.00 0.00 H new ATOM 0 HB THR X 25 22.566 -0.080 17.740 1.00 0.00 H new ATOM 0 HG1 THR X 25 21.388 2.492 17.279 1.00 0.00 H new ATOM 0 HG21 THR X 25 22.501 1.198 19.862 1.00 0.00 H new ATOM 0 HG22 THR X 25 24.159 1.104 19.222 1.00 0.00 H new ATOM 0 HG23 THR X 25 23.218 2.603 19.038 1.00 0.00 H new ATOM 385 N ALA X 26 22.023 1.233 14.717 1.00 0.00 N ATOM 386 CA ALA X 26 21.507 0.668 13.476 1.00 0.00 C ATOM 387 C ALA X 26 22.447 0.972 12.312 1.00 0.00 C ATOM 388 O ALA X 26 22.633 0.144 11.420 1.00 0.00 O ATOM 389 CB ALA X 26 20.121 1.244 13.180 1.00 0.00 C ATOM 0 H ALA X 26 21.467 2.000 15.095 1.00 0.00 H new ATOM 0 HA ALA X 26 21.436 -0.413 13.594 1.00 0.00 H new ATOM 0 HB1 ALA X 26 19.741 0.818 12.252 1.00 0.00 H new ATOM 0 HB2 ALA X 26 19.443 0.998 13.997 1.00 0.00 H new ATOM 0 HB3 ALA X 26 20.191 2.327 13.080 1.00 0.00 H new ATOM 395 N GLU X 27 23.025 2.169 12.320 1.00 0.00 N ATOM 396 CA GLU X 27 23.931 2.581 11.255 1.00 0.00 C ATOM 397 C GLU X 27 25.046 1.565 11.070 1.00 0.00 C ATOM 398 O GLU X 27 25.413 1.228 9.946 1.00 0.00 O ATOM 399 CB GLU X 27 24.550 3.933 11.604 1.00 0.00 C ATOM 400 CG GLU X 27 25.597 4.304 10.553 1.00 0.00 C ATOM 401 CD GLU X 27 25.957 5.781 10.675 1.00 0.00 C ATOM 402 OE1 GLU X 27 25.485 6.410 11.607 1.00 0.00 O ATOM 403 OE2 GLU X 27 26.699 6.261 9.834 1.00 0.00 O ATOM 0 H GLU X 27 22.883 2.868 13.049 1.00 0.00 H new ATOM 0 HA GLU X 27 23.359 2.654 10.330 1.00 0.00 H new ATOM 0 HB2 GLU X 27 23.776 4.699 11.647 1.00 0.00 H new ATOM 0 HB3 GLU X 27 25.010 3.890 12.591 1.00 0.00 H new ATOM 0 HG2 GLU X 27 26.489 3.692 10.684 1.00 0.00 H new ATOM 0 HG3 GLU X 27 25.212 4.096 9.555 1.00 0.00 H new ATOM 410 N LYS X 28 25.580 1.081 12.180 1.00 0.00 N ATOM 411 CA LYS X 28 26.649 0.102 12.130 1.00 0.00 C ATOM 412 C LYS X 28 26.143 -1.198 11.516 1.00 0.00 C ATOM 413 O LYS X 28 26.852 -1.861 10.758 1.00 0.00 O ATOM 414 CB LYS X 28 27.171 -0.155 13.540 1.00 0.00 C ATOM 415 CG LYS X 28 28.441 0.665 13.775 1.00 0.00 C ATOM 416 CD LYS X 28 28.082 2.150 13.844 1.00 0.00 C ATOM 417 CE LYS X 28 29.180 2.972 13.166 1.00 0.00 C ATOM 418 NZ LYS X 28 30.421 2.917 13.989 1.00 0.00 N ATOM 0 H LYS X 28 25.291 1.349 13.121 1.00 0.00 H new ATOM 0 HA LYS X 28 27.459 0.488 11.511 1.00 0.00 H new ATOM 0 HB2 LYS X 28 26.412 0.114 14.274 1.00 0.00 H new ATOM 0 HB3 LYS X 28 27.382 -1.216 13.673 1.00 0.00 H new ATOM 0 HG2 LYS X 28 28.922 0.353 14.702 1.00 0.00 H new ATOM 0 HG3 LYS X 28 29.155 0.489 12.970 1.00 0.00 H new ATOM 0 HD2 LYS X 28 27.125 2.327 13.353 1.00 0.00 H new ATOM 0 HD3 LYS X 28 27.970 2.460 14.883 1.00 0.00 H new ATOM 0 HE2 LYS X 28 29.376 2.583 12.167 1.00 0.00 H new ATOM 0 HE3 LYS X 28 28.855 4.006 13.048 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 31.135 3.556 13.584 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 30.205 3.212 14.963 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 30.790 1.945 13.996 1.00 0.00 H new ATOM 432 N VAL X 29 24.907 -1.552 11.851 1.00 0.00 N ATOM 433 CA VAL X 29 24.298 -2.770 11.332 1.00 0.00 C ATOM 434 C VAL X 29 24.001 -2.635 9.840 1.00 0.00 C ATOM 435 O VAL X 29 24.170 -3.584 9.076 1.00 0.00 O ATOM 436 CB VAL X 29 23.003 -3.066 12.090 1.00 0.00 C ATOM 437 CG1 VAL X 29 22.387 -4.364 11.564 1.00 0.00 C ATOM 438 CG2 VAL X 29 23.312 -3.218 13.582 1.00 0.00 C ATOM 0 H VAL X 29 24.309 -1.014 12.478 1.00 0.00 H new ATOM 0 HA VAL X 29 24.999 -3.592 11.473 1.00 0.00 H new ATOM 0 HB VAL X 29 22.300 -2.246 11.943 1.00 0.00 H new ATOM 0 HG11 VAL X 29 21.464 -4.574 12.105 1.00 0.00 H new ATOM 0 HG12 VAL X 29 22.169 -4.259 10.501 1.00 0.00 H new ATOM 0 HG13 VAL X 29 23.089 -5.185 11.711 1.00 0.00 H new ATOM 0 HG21 VAL X 29 22.391 -3.429 14.125 1.00 0.00 H new ATOM 0 HG22 VAL X 29 24.014 -4.039 13.726 1.00 0.00 H new ATOM 0 HG23 VAL X 29 23.751 -2.294 13.959 1.00 0.00 H new ATOM 448 N PHE X 30 23.545 -1.454 9.433 1.00 0.00 N ATOM 449 CA PHE X 30 23.218 -1.216 8.031 1.00 0.00 C ATOM 450 C PHE X 30 24.466 -1.269 7.160 1.00 0.00 C ATOM 451 O PHE X 30 24.452 -1.854 6.077 1.00 0.00 O ATOM 452 CB PHE X 30 22.560 0.151 7.871 1.00 0.00 C ATOM 453 CG PHE X 30 21.150 0.106 8.409 1.00 0.00 C ATOM 454 CD1 PHE X 30 20.219 -0.792 7.870 1.00 0.00 C ATOM 455 CD2 PHE X 30 20.771 0.964 9.448 1.00 0.00 C ATOM 456 CE1 PHE X 30 18.912 -0.830 8.369 1.00 0.00 C ATOM 457 CE2 PHE X 30 19.464 0.925 9.947 1.00 0.00 C ATOM 458 CZ PHE X 30 18.534 0.028 9.408 1.00 0.00 C ATOM 0 H PHE X 30 23.395 -0.654 10.047 1.00 0.00 H new ATOM 0 HA PHE X 30 22.531 -2.000 7.712 1.00 0.00 H new ATOM 0 HB2 PHE X 30 23.138 0.907 8.402 1.00 0.00 H new ATOM 0 HB3 PHE X 30 22.549 0.439 6.820 1.00 0.00 H new ATOM 0 HD1 PHE X 30 20.510 -1.455 7.069 1.00 0.00 H new ATOM 0 HD2 PHE X 30 21.487 1.656 9.865 1.00 0.00 H new ATOM 0 HE1 PHE X 30 18.195 -1.522 7.952 1.00 0.00 H new ATOM 0 HE2 PHE X 30 19.173 1.587 10.749 1.00 0.00 H new ATOM 0 HZ PHE X 30 17.526 -0.002 9.794 1.00 0.00 H new ATOM 468 N LYS X 31 25.545 -0.659 7.635 1.00 0.00 N ATOM 469 CA LYS X 31 26.787 -0.654 6.876 1.00 0.00 C ATOM 470 C LYS X 31 27.207 -2.087 6.588 1.00 0.00 C ATOM 471 O LYS X 31 27.794 -2.380 5.546 1.00 0.00 O ATOM 472 CB LYS X 31 27.881 0.066 7.666 1.00 0.00 C ATOM 473 CG LYS X 31 27.346 1.411 8.169 1.00 0.00 C ATOM 474 CD LYS X 31 28.105 2.552 7.487 1.00 0.00 C ATOM 475 CE LYS X 31 27.817 2.531 5.986 1.00 0.00 C ATOM 476 NZ LYS X 31 28.864 1.732 5.289 1.00 0.00 N ATOM 0 H LYS X 31 25.585 -0.169 8.528 1.00 0.00 H new ATOM 0 HA LYS X 31 26.634 -0.127 5.934 1.00 0.00 H new ATOM 0 HB2 LYS X 31 28.201 -0.548 8.508 1.00 0.00 H new ATOM 0 HB3 LYS X 31 28.756 0.223 7.036 1.00 0.00 H new ATOM 0 HG2 LYS X 31 26.280 1.492 7.957 1.00 0.00 H new ATOM 0 HG3 LYS X 31 27.462 1.479 9.251 1.00 0.00 H new ATOM 0 HD2 LYS X 31 27.803 3.509 7.913 1.00 0.00 H new ATOM 0 HD3 LYS X 31 29.175 2.448 7.664 1.00 0.00 H new ATOM 0 HE2 LYS X 31 26.833 2.101 5.800 1.00 0.00 H new ATOM 0 HE3 LYS X 31 27.800 3.548 5.594 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 29.082 2.171 4.371 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 29.725 1.703 5.872 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 28.517 0.764 5.136 1.00 0.00 H new ATOM 490 N GLN X 32 26.878 -2.978 7.515 1.00 0.00 N ATOM 491 CA GLN X 32 27.199 -4.387 7.355 1.00 0.00 C ATOM 492 C GLN X 32 26.383 -4.978 6.211 1.00 0.00 C ATOM 493 O GLN X 32 26.820 -5.911 5.536 1.00 0.00 O ATOM 494 CB GLN X 32 26.908 -5.150 8.650 1.00 0.00 C ATOM 495 CG GLN X 32 26.642 -6.623 8.327 1.00 0.00 C ATOM 496 CD GLN X 32 26.920 -7.483 9.555 1.00 0.00 C ATOM 497 OE1 GLN X 32 27.100 -6.958 10.655 1.00 0.00 O ATOM 498 NE2 GLN X 32 26.966 -8.781 9.434 1.00 0.00 N ATOM 0 H GLN X 32 26.391 -2.749 8.382 1.00 0.00 H new ATOM 0 HA GLN X 32 28.260 -4.480 7.125 1.00 0.00 H new ATOM 0 HB2 GLN X 32 27.753 -5.063 9.333 1.00 0.00 H new ATOM 0 HB3 GLN X 32 26.045 -4.716 9.154 1.00 0.00 H new ATOM 0 HG2 GLN X 32 25.608 -6.753 8.008 1.00 0.00 H new ATOM 0 HG3 GLN X 32 27.274 -6.942 7.498 1.00 0.00 H new ATOM 0 HE21 GLN X 32 26.817 -9.214 8.523 1.00 0.00 H new ATOM 0 HE22 GLN X 32 27.151 -9.363 10.251 1.00 0.00 H new ATOM 507 N TYR X 33 25.192 -4.426 6.004 1.00 0.00 N ATOM 508 CA TYR X 33 24.310 -4.897 4.943 1.00 0.00 C ATOM 509 C TYR X 33 25.004 -4.787 3.590 1.00 0.00 C ATOM 510 O TYR X 33 24.983 -5.726 2.793 1.00 0.00 O ATOM 511 CB TYR X 33 23.034 -4.052 4.932 1.00 0.00 C ATOM 512 CG TYR X 33 21.876 -4.875 4.425 1.00 0.00 C ATOM 513 CD1 TYR X 33 21.702 -5.063 3.049 1.00 0.00 C ATOM 514 CD2 TYR X 33 20.972 -5.444 5.330 1.00 0.00 C ATOM 515 CE1 TYR X 33 20.623 -5.821 2.577 1.00 0.00 C ATOM 516 CE2 TYR X 33 19.895 -6.202 4.858 1.00 0.00 C ATOM 517 CZ TYR X 33 19.721 -6.389 3.482 1.00 0.00 C ATOM 518 OH TYR X 33 18.658 -7.136 3.016 1.00 0.00 O ATOM 0 H TYR X 33 24.816 -3.654 6.555 1.00 0.00 H new ATOM 0 HA TYR X 33 24.060 -5.942 5.127 1.00 0.00 H new ATOM 0 HB2 TYR X 33 22.820 -3.688 5.937 1.00 0.00 H new ATOM 0 HB3 TYR X 33 23.173 -3.176 4.299 1.00 0.00 H new ATOM 0 HD1 TYR X 33 22.400 -4.624 2.351 1.00 0.00 H new ATOM 0 HD2 TYR X 33 21.106 -5.298 6.392 1.00 0.00 H new ATOM 0 HE1 TYR X 33 20.488 -5.967 1.515 1.00 0.00 H new ATOM 0 HE2 TYR X 33 19.198 -6.643 5.555 1.00 0.00 H new ATOM 0 HH TYR X 33 17.831 -6.617 3.102 1.00 0.00 H new ATOM 528 N ALA X 34 25.624 -3.640 3.340 1.00 0.00 N ATOM 529 CA ALA X 34 26.328 -3.424 2.084 1.00 0.00 C ATOM 530 C ALA X 34 27.494 -4.401 1.961 1.00 0.00 C ATOM 531 O ALA X 34 27.697 -5.016 0.916 1.00 0.00 O ATOM 532 CB ALA X 34 26.852 -1.988 2.015 1.00 0.00 C ATOM 0 H ALA X 34 25.653 -2.851 3.986 1.00 0.00 H new ATOM 0 HA ALA X 34 25.633 -3.591 1.261 1.00 0.00 H new ATOM 0 HB1 ALA X 34 27.377 -1.837 1.072 1.00 0.00 H new ATOM 0 HB2 ALA X 34 26.016 -1.292 2.080 1.00 0.00 H new ATOM 0 HB3 ALA X 34 27.537 -1.811 2.844 1.00 0.00 H new ATOM 538 N ASN X 35 28.251 -4.538 3.044 1.00 0.00 N ATOM 539 CA ASN X 35 29.393 -5.444 3.057 1.00 0.00 C ATOM 540 C ASN X 35 28.922 -6.893 2.978 1.00 0.00 C ATOM 541 O ASN X 35 29.514 -7.710 2.274 1.00 0.00 O ATOM 542 CB ASN X 35 30.210 -5.239 4.335 1.00 0.00 C ATOM 543 CG ASN X 35 30.827 -3.844 4.339 1.00 0.00 C ATOM 544 OD1 ASN X 35 30.738 -3.122 3.346 1.00 0.00 O ATOM 545 ND2 ASN X 35 31.451 -3.420 5.403 1.00 0.00 N ATOM 0 H ASN X 35 28.096 -4.037 3.919 1.00 0.00 H new ATOM 0 HA ASN X 35 30.018 -5.227 2.191 1.00 0.00 H new ATOM 0 HB2 ASN X 35 29.572 -5.366 5.209 1.00 0.00 H new ATOM 0 HB3 ASN X 35 30.994 -5.993 4.400 1.00 0.00 H new ATOM 0 HD21 ASN X 35 31.866 -2.488 5.413 1.00 0.00 H new ATOM 0 HD22 ASN X 35 31.524 -4.020 6.225 1.00 0.00 H new ATOM 552 N ASP X 36 27.850 -7.202 3.704 1.00 0.00 N ATOM 553 CA ASP X 36 27.303 -8.555 3.705 1.00 0.00 C ATOM 554 C ASP X 36 26.746 -8.892 2.328 1.00 0.00 C ATOM 555 O ASP X 36 26.766 -10.045 1.898 1.00 0.00 O ATOM 556 CB ASP X 36 26.192 -8.671 4.750 1.00 0.00 C ATOM 557 CG ASP X 36 25.917 -10.139 5.057 1.00 0.00 C ATOM 558 OD1 ASP X 36 25.181 -10.753 4.302 1.00 0.00 O ATOM 559 OD2 ASP X 36 26.445 -10.627 6.042 1.00 0.00 O ATOM 0 H ASP X 36 27.347 -6.539 4.294 1.00 0.00 H new ATOM 0 HA ASP X 36 28.101 -9.256 3.951 1.00 0.00 H new ATOM 0 HB2 ASP X 36 26.483 -8.148 5.661 1.00 0.00 H new ATOM 0 HB3 ASP X 36 25.285 -8.191 4.383 1.00 0.00 H new ATOM 564 N ASN X 37 26.259 -7.866 1.641 1.00 0.00 N ATOM 565 CA ASN X 37 25.701 -8.017 0.304 1.00 0.00 C ATOM 566 C ASN X 37 26.623 -7.335 -0.697 1.00 0.00 C ATOM 567 O ASN X 37 26.179 -6.501 -1.483 1.00 0.00 O ATOM 568 CB ASN X 37 24.310 -7.382 0.237 1.00 0.00 C ATOM 569 CG ASN X 37 23.335 -8.166 1.109 1.00 0.00 C ATOM 570 OD1 ASN X 37 23.083 -7.787 2.253 1.00 0.00 O ATOM 571 ND2 ASN X 37 22.768 -9.241 0.634 1.00 0.00 N ATOM 0 H ASN X 37 26.240 -6.909 1.994 1.00 0.00 H new ATOM 0 HA ASN X 37 25.613 -9.077 0.067 1.00 0.00 H new ATOM 0 HB2 ASN X 37 24.358 -6.346 0.572 1.00 0.00 H new ATOM 0 HB3 ASN X 37 23.957 -7.367 -0.794 1.00 0.00 H new ATOM 0 HD21 ASN X 37 22.114 -9.770 1.211 1.00 0.00 H new ATOM 0 HD22 ASN X 37 22.979 -9.552 -0.314 1.00 0.00 H new ATOM 578 N GLY X 38 27.903 -7.707 -0.658 1.00 0.00 N ATOM 579 CA GLY X 38 28.909 -7.143 -1.557 1.00 0.00 C ATOM 580 C GLY X 38 28.336 -6.049 -2.450 1.00 0.00 C ATOM 581 O GLY X 38 28.378 -6.153 -3.676 1.00 0.00 O ATOM 0 H GLY X 38 28.269 -8.402 -0.008 1.00 0.00 H new ATOM 0 HA2 GLY X 38 29.731 -6.736 -0.969 1.00 0.00 H new ATOM 0 HA3 GLY X 38 29.324 -7.937 -2.179 1.00 0.00 H new ATOM 585 N VAL X 39 27.797 -5.002 -1.835 1.00 0.00 N ATOM 586 CA VAL X 39 27.220 -3.905 -2.597 1.00 0.00 C ATOM 587 C VAL X 39 28.221 -2.766 -2.750 1.00 0.00 C ATOM 588 O VAL X 39 28.837 -2.331 -1.776 1.00 0.00 O ATOM 589 CB VAL X 39 25.961 -3.381 -1.904 1.00 0.00 C ATOM 590 CG1 VAL X 39 25.566 -2.036 -2.517 1.00 0.00 C ATOM 591 CG2 VAL X 39 24.815 -4.380 -2.089 1.00 0.00 C ATOM 0 H VAL X 39 27.748 -4.891 -0.822 1.00 0.00 H new ATOM 0 HA VAL X 39 26.960 -4.284 -3.585 1.00 0.00 H new ATOM 0 HB VAL X 39 26.161 -3.255 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL X 39 24.669 -1.661 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL X 39 26.379 -1.322 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL X 39 25.368 -2.165 -3.581 1.00 0.00 H new ATOM 0 HG21 VAL X 39 23.920 -4.003 -1.594 1.00 0.00 H new ATOM 0 HG22 VAL X 39 24.614 -4.510 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL X 39 25.094 -5.339 -1.653 1.00 0.00 H new ATOM 601 N ASP X 40 28.365 -2.279 -3.976 1.00 0.00 N ATOM 602 CA ASP X 40 29.280 -1.178 -4.245 1.00 0.00 C ATOM 603 C ASP X 40 28.542 -0.044 -4.949 1.00 0.00 C ATOM 604 O ASP X 40 28.208 -0.148 -6.128 1.00 0.00 O ATOM 605 CB ASP X 40 30.436 -1.661 -5.123 1.00 0.00 C ATOM 606 CG ASP X 40 31.131 -0.470 -5.774 1.00 0.00 C ATOM 607 OD1 ASP X 40 30.561 0.094 -6.693 1.00 0.00 O ATOM 608 OD2 ASP X 40 32.223 -0.139 -5.343 1.00 0.00 O ATOM 0 H ASP X 40 27.864 -2.626 -4.794 1.00 0.00 H new ATOM 0 HA ASP X 40 29.677 -0.813 -3.298 1.00 0.00 H new ATOM 0 HB2 ASP X 40 31.149 -2.224 -4.521 1.00 0.00 H new ATOM 0 HB3 ASP X 40 30.062 -2.338 -5.891 1.00 0.00 H new ATOM 613 N GLY X 41 28.289 1.036 -4.218 1.00 0.00 N ATOM 614 CA GLY X 41 27.587 2.180 -4.786 1.00 0.00 C ATOM 615 C GLY X 41 27.830 3.430 -3.963 1.00 0.00 C ATOM 616 O GLY X 41 28.895 3.604 -3.369 1.00 0.00 O ATOM 0 H GLY X 41 28.557 1.143 -3.240 1.00 0.00 H new ATOM 0 HA2 GLY X 41 27.921 2.344 -5.810 1.00 0.00 H new ATOM 0 HA3 GLY X 41 26.518 1.971 -4.829 1.00 0.00 H new ATOM 620 N GLU X 42 26.823 4.290 -3.913 1.00 0.00 N ATOM 621 CA GLU X 42 26.915 5.513 -3.140 1.00 0.00 C ATOM 622 C GLU X 42 26.154 5.330 -1.839 1.00 0.00 C ATOM 623 O GLU X 42 25.087 4.715 -1.815 1.00 0.00 O ATOM 624 CB GLU X 42 26.332 6.687 -3.930 1.00 0.00 C ATOM 625 CG GLU X 42 27.250 7.014 -5.109 1.00 0.00 C ATOM 626 CD GLU X 42 26.704 8.212 -5.880 1.00 0.00 C ATOM 627 OE1 GLU X 42 25.777 8.834 -5.389 1.00 0.00 O ATOM 628 OE2 GLU X 42 27.222 8.489 -6.949 1.00 0.00 O ATOM 0 H GLU X 42 25.935 4.161 -4.399 1.00 0.00 H new ATOM 0 HA GLU X 42 27.961 5.731 -2.927 1.00 0.00 H new ATOM 0 HB2 GLU X 42 25.334 6.437 -4.291 1.00 0.00 H new ATOM 0 HB3 GLU X 42 26.228 7.558 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU X 42 28.255 7.231 -4.748 1.00 0.00 H new ATOM 0 HG3 GLU X 42 27.328 6.151 -5.770 1.00 0.00 H new ATOM 635 N TRP X 43 26.704 5.857 -0.759 1.00 0.00 N ATOM 636 CA TRP X 43 26.059 5.731 0.535 1.00 0.00 C ATOM 637 C TRP X 43 25.572 7.084 1.026 1.00 0.00 C ATOM 638 O TRP X 43 26.232 8.105 0.834 1.00 0.00 O ATOM 639 CB TRP X 43 27.031 5.151 1.561 1.00 0.00 C ATOM 640 CG TRP X 43 26.735 3.701 1.767 1.00 0.00 C ATOM 641 CD1 TRP X 43 27.502 2.685 1.315 1.00 0.00 C ATOM 642 CD2 TRP X 43 25.611 3.088 2.463 1.00 0.00 C ATOM 643 NE1 TRP X 43 26.922 1.485 1.690 1.00 0.00 N ATOM 644 CE2 TRP X 43 25.754 1.682 2.400 1.00 0.00 C ATOM 645 CE3 TRP X 43 24.493 3.610 3.138 1.00 0.00 C ATOM 646 CZ2 TRP X 43 24.823 0.824 2.984 1.00 0.00 C ATOM 647 CZ3 TRP X 43 23.551 2.750 3.727 1.00 0.00 C ATOM 648 CH2 TRP X 43 23.717 1.360 3.650 1.00 0.00 C ATOM 0 H TRP X 43 27.585 6.370 -0.752 1.00 0.00 H new ATOM 0 HA TRP X 43 25.207 5.061 0.419 1.00 0.00 H new ATOM 0 HB2 TRP X 43 28.057 5.278 1.217 1.00 0.00 H new ATOM 0 HB3 TRP X 43 26.943 5.688 2.505 1.00 0.00 H new ATOM 0 HD1 TRP X 43 28.418 2.791 0.753 1.00 0.00 H new ATOM 0 HE1 TRP X 43 27.310 0.568 1.469 1.00 0.00 H new ATOM 0 HE3 TRP X 43 24.358 4.679 3.204 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 24.955 -0.246 2.922 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 22.695 3.162 4.241 1.00 0.00 H new ATOM 0 HH2 TRP X 43 22.990 0.703 4.105 1.00 0.00 H new ATOM 659 N THR X 44 24.412 7.081 1.667 1.00 0.00 N ATOM 660 CA THR X 44 23.839 8.307 2.193 1.00 0.00 C ATOM 661 C THR X 44 23.260 8.064 3.580 1.00 0.00 C ATOM 662 O THR X 44 23.148 6.923 4.026 1.00 0.00 O ATOM 663 CB THR X 44 22.736 8.814 1.260 1.00 0.00 C ATOM 664 OG1 THR X 44 21.511 8.884 1.975 1.00 0.00 O ATOM 665 CG2 THR X 44 22.587 7.857 0.077 1.00 0.00 C ATOM 0 H THR X 44 23.852 6.245 1.834 1.00 0.00 H new ATOM 0 HA THR X 44 24.627 9.058 2.261 1.00 0.00 H new ATOM 0 HB THR X 44 22.998 9.805 0.890 1.00 0.00 H new ATOM 0 HG1 THR X 44 20.803 9.210 1.380 1.00 0.00 H new ATOM 0 HG21 THR X 44 21.802 8.219 -0.587 1.00 0.00 H new ATOM 0 HG22 THR X 44 23.529 7.805 -0.470 1.00 0.00 H new ATOM 0 HG23 THR X 44 22.324 6.864 0.443 1.00 0.00 H new ATOM 673 N TYR X 45 22.890 9.146 4.258 1.00 0.00 N ATOM 674 CA TYR X 45 22.320 9.038 5.595 1.00 0.00 C ATOM 675 C TYR X 45 21.379 10.205 5.874 1.00 0.00 C ATOM 676 O TYR X 45 21.729 11.363 5.647 1.00 0.00 O ATOM 677 CB TYR X 45 23.436 9.018 6.639 1.00 0.00 C ATOM 678 CG TYR X 45 22.831 8.845 8.011 1.00 0.00 C ATOM 679 CD1 TYR X 45 22.198 9.925 8.638 1.00 0.00 C ATOM 680 CD2 TYR X 45 22.901 7.604 8.656 1.00 0.00 C ATOM 681 CE1 TYR X 45 21.636 9.764 9.909 1.00 0.00 C ATOM 682 CE2 TYR X 45 22.337 7.445 9.928 1.00 0.00 C ATOM 683 CZ TYR X 45 21.704 8.525 10.553 1.00 0.00 C ATOM 684 OH TYR X 45 21.148 8.367 11.806 1.00 0.00 O ATOM 0 H TYR X 45 22.974 10.100 3.907 1.00 0.00 H new ATOM 0 HA TYR X 45 21.753 8.109 5.653 1.00 0.00 H new ATOM 0 HB2 TYR X 45 24.131 8.205 6.430 1.00 0.00 H new ATOM 0 HB3 TYR X 45 24.008 9.945 6.595 1.00 0.00 H new ATOM 0 HD1 TYR X 45 22.144 10.882 8.141 1.00 0.00 H new ATOM 0 HD2 TYR X 45 23.389 6.770 8.173 1.00 0.00 H new ATOM 0 HE1 TYR X 45 21.149 10.598 10.393 1.00 0.00 H new ATOM 0 HE2 TYR X 45 22.391 6.489 10.427 1.00 0.00 H new ATOM 0 HH TYR X 45 20.171 8.403 11.737 1.00 0.00 H new ATOM 694 N ASP X 46 20.186 9.893 6.369 1.00 0.00 N ATOM 695 CA ASP X 46 19.203 10.925 6.677 1.00 0.00 C ATOM 696 C ASP X 46 18.787 10.847 8.143 1.00 0.00 C ATOM 697 O ASP X 46 18.175 9.870 8.574 1.00 0.00 O ATOM 698 CB ASP X 46 17.973 10.758 5.784 1.00 0.00 C ATOM 699 CG ASP X 46 18.369 10.905 4.319 1.00 0.00 C ATOM 700 OD1 ASP X 46 18.943 11.927 3.980 1.00 0.00 O ATOM 701 OD2 ASP X 46 18.096 9.993 3.556 1.00 0.00 O ATOM 0 H ASP X 46 19.878 8.941 6.564 1.00 0.00 H new ATOM 0 HA ASP X 46 19.655 11.899 6.491 1.00 0.00 H new ATOM 0 HB2 ASP X 46 17.522 9.780 5.951 1.00 0.00 H new ATOM 0 HB3 ASP X 46 17.221 11.504 6.043 1.00 0.00 H new ATOM 706 N ASP X 47 19.127 11.882 8.905 1.00 0.00 N ATOM 707 CA ASP X 47 18.789 11.921 10.323 1.00 0.00 C ATOM 708 C ASP X 47 17.318 12.273 10.518 1.00 0.00 C ATOM 709 O ASP X 47 16.696 11.871 11.502 1.00 0.00 O ATOM 710 CB ASP X 47 19.656 12.965 11.031 1.00 0.00 C ATOM 711 CG ASP X 47 18.969 13.434 12.309 1.00 0.00 C ATOM 712 OD1 ASP X 47 19.149 12.786 13.327 1.00 0.00 O ATOM 713 OD2 ASP X 47 18.274 14.435 12.252 1.00 0.00 O ATOM 0 H ASP X 47 19.633 12.700 8.567 1.00 0.00 H new ATOM 0 HA ASP X 47 18.974 10.935 10.748 1.00 0.00 H new ATOM 0 HB2 ASP X 47 20.631 12.540 11.268 1.00 0.00 H new ATOM 0 HB3 ASP X 47 19.830 13.814 10.370 1.00 0.00 H new ATOM 718 N ALA X 48 16.775 13.040 9.581 1.00 0.00 N ATOM 719 CA ALA X 48 15.381 13.459 9.660 1.00 0.00 C ATOM 720 C ALA X 48 14.446 12.339 9.223 1.00 0.00 C ATOM 721 O ALA X 48 13.332 12.214 9.734 1.00 0.00 O ATOM 722 CB ALA X 48 15.156 14.683 8.772 1.00 0.00 C ATOM 0 H ALA X 48 17.276 13.383 8.761 1.00 0.00 H new ATOM 0 HA ALA X 48 15.161 13.709 10.698 1.00 0.00 H new ATOM 0 HB1 ALA X 48 14.112 14.991 8.835 1.00 0.00 H new ATOM 0 HB2 ALA X 48 15.796 15.499 9.108 1.00 0.00 H new ATOM 0 HB3 ALA X 48 15.398 14.433 7.739 1.00 0.00 H new ATOM 728 N THR X 49 14.896 11.530 8.270 1.00 0.00 N ATOM 729 CA THR X 49 14.078 10.431 7.772 1.00 0.00 C ATOM 730 C THR X 49 14.630 9.088 8.235 1.00 0.00 C ATOM 731 O THR X 49 14.041 8.041 7.965 1.00 0.00 O ATOM 732 CB THR X 49 14.039 10.465 6.244 1.00 0.00 C ATOM 733 OG1 THR X 49 14.498 11.730 5.789 1.00 0.00 O ATOM 734 CG2 THR X 49 12.606 10.235 5.763 1.00 0.00 C ATOM 0 H THR X 49 15.813 11.613 7.831 1.00 0.00 H new ATOM 0 HA THR X 49 13.070 10.549 8.169 1.00 0.00 H new ATOM 0 HB THR X 49 14.682 9.680 5.846 1.00 0.00 H new ATOM 0 HG1 THR X 49 14.475 11.753 4.810 1.00 0.00 H new ATOM 0 HG21 THR X 49 12.580 10.259 4.674 1.00 0.00 H new ATOM 0 HG22 THR X 49 12.256 9.264 6.113 1.00 0.00 H new ATOM 0 HG23 THR X 49 11.959 11.018 6.159 1.00 0.00 H new ATOM 742 N LYS X 50 15.761 9.120 8.931 1.00 0.00 N ATOM 743 CA LYS X 50 16.372 7.890 9.417 1.00 0.00 C ATOM 744 C LYS X 50 16.340 6.823 8.333 1.00 0.00 C ATOM 745 O LYS X 50 16.206 5.637 8.624 1.00 0.00 O ATOM 746 CB LYS X 50 15.618 7.381 10.646 1.00 0.00 C ATOM 747 CG LYS X 50 15.468 8.510 11.665 1.00 0.00 C ATOM 748 CD LYS X 50 16.834 9.147 11.924 1.00 0.00 C ATOM 749 CE LYS X 50 16.757 10.030 13.172 1.00 0.00 C ATOM 750 NZ LYS X 50 16.728 9.170 14.389 1.00 0.00 N ATOM 0 H LYS X 50 16.267 9.973 9.169 1.00 0.00 H new ATOM 0 HA LYS X 50 17.407 8.101 9.686 1.00 0.00 H new ATOM 0 HB2 LYS X 50 14.636 7.010 10.354 1.00 0.00 H new ATOM 0 HB3 LYS X 50 16.155 6.544 11.093 1.00 0.00 H new ATOM 0 HG2 LYS X 50 14.770 9.260 11.293 1.00 0.00 H new ATOM 0 HG3 LYS X 50 15.053 8.122 12.595 1.00 0.00 H new ATOM 0 HD2 LYS X 50 17.589 8.372 12.060 1.00 0.00 H new ATOM 0 HD3 LYS X 50 17.139 9.742 11.063 1.00 0.00 H new ATOM 0 HE2 LYS X 50 17.615 10.702 13.209 1.00 0.00 H new ATOM 0 HE3 LYS X 50 15.865 10.655 13.134 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 16.997 9.735 15.220 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 15.769 8.791 14.524 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 17.398 8.383 14.274 1.00 0.00 H new ATOM 764 N THR X 51 16.461 7.248 7.083 1.00 0.00 N ATOM 765 CA THR X 51 16.439 6.310 5.970 1.00 0.00 C ATOM 766 C THR X 51 17.790 6.272 5.266 1.00 0.00 C ATOM 767 O THR X 51 18.242 7.275 4.713 1.00 0.00 O ATOM 768 CB THR X 51 15.351 6.712 4.972 1.00 0.00 C ATOM 769 OG1 THR X 51 14.081 6.641 5.604 1.00 0.00 O ATOM 770 CG2 THR X 51 15.382 5.763 3.774 1.00 0.00 C ATOM 0 H THR X 51 16.574 8.226 6.816 1.00 0.00 H new ATOM 0 HA THR X 51 16.224 5.317 6.364 1.00 0.00 H new ATOM 0 HB THR X 51 15.529 7.731 4.630 1.00 0.00 H new ATOM 0 HG1 THR X 51 14.084 7.200 6.409 1.00 0.00 H new ATOM 0 HG21 THR X 51 14.607 6.049 3.063 1.00 0.00 H new ATOM 0 HG22 THR X 51 16.357 5.820 3.290 1.00 0.00 H new ATOM 0 HG23 THR X 51 15.204 4.743 4.113 1.00 0.00 H new ATOM 778 N PHE X 52 18.425 5.106 5.287 1.00 0.00 N ATOM 779 CA PHE X 52 19.721 4.941 4.641 1.00 0.00 C ATOM 780 C PHE X 52 19.623 3.911 3.522 1.00 0.00 C ATOM 781 O PHE X 52 19.065 2.829 3.706 1.00 0.00 O ATOM 782 CB PHE X 52 20.761 4.486 5.667 1.00 0.00 C ATOM 783 CG PHE X 52 20.446 5.099 7.010 1.00 0.00 C ATOM 784 CD1 PHE X 52 20.025 6.432 7.089 1.00 0.00 C ATOM 785 CD2 PHE X 52 20.572 4.335 8.176 1.00 0.00 C ATOM 786 CE1 PHE X 52 19.732 7.002 8.333 1.00 0.00 C ATOM 787 CE2 PHE X 52 20.278 4.905 9.421 1.00 0.00 C ATOM 788 CZ PHE X 52 19.859 6.238 9.500 1.00 0.00 C ATOM 0 H PHE X 52 18.066 4.266 5.741 1.00 0.00 H new ATOM 0 HA PHE X 52 20.026 5.898 4.218 1.00 0.00 H new ATOM 0 HB2 PHE X 52 20.761 3.399 5.743 1.00 0.00 H new ATOM 0 HB3 PHE X 52 21.759 4.783 5.345 1.00 0.00 H new ATOM 0 HD1 PHE X 52 19.926 7.021 6.189 1.00 0.00 H new ATOM 0 HD2 PHE X 52 20.896 3.306 8.116 1.00 0.00 H new ATOM 0 HE1 PHE X 52 19.408 8.031 8.393 1.00 0.00 H new ATOM 0 HE2 PHE X 52 20.375 4.316 10.321 1.00 0.00 H new ATOM 0 HZ PHE X 52 19.634 6.677 10.460 1.00 0.00 H new ATOM 798 N THR X 53 20.160 4.261 2.360 1.00 0.00 N ATOM 799 CA THR X 53 20.122 3.370 1.207 1.00 0.00 C ATOM 800 C THR X 53 21.396 3.506 0.384 1.00 0.00 C ATOM 801 O THR X 53 22.081 4.526 0.455 1.00 0.00 O ATOM 802 CB THR X 53 18.921 3.723 0.328 1.00 0.00 C ATOM 803 OG1 THR X 53 19.126 5.000 -0.259 1.00 0.00 O ATOM 804 CG2 THR X 53 17.650 3.749 1.180 1.00 0.00 C ATOM 0 H THR X 53 20.626 5.153 2.191 1.00 0.00 H new ATOM 0 HA THR X 53 20.037 2.344 1.564 1.00 0.00 H new ATOM 0 HB THR X 53 18.813 2.974 -0.457 1.00 0.00 H new ATOM 0 HG1 THR X 53 18.358 5.227 -0.824 1.00 0.00 H new ATOM 0 HG21 THR X 53 16.796 4.001 0.552 1.00 0.00 H new ATOM 0 HG22 THR X 53 17.493 2.769 1.630 1.00 0.00 H new ATOM 0 HG23 THR X 53 17.754 4.496 1.967 1.00 0.00 H new ATOM 812 N VAL X 54 21.706 2.487 -0.408 1.00 0.00 N ATOM 813 CA VAL X 54 22.896 2.526 -1.249 1.00 0.00 C ATOM 814 C VAL X 54 22.525 2.215 -2.695 1.00 0.00 C ATOM 815 O VAL X 54 21.901 1.194 -2.979 1.00 0.00 O ATOM 816 CB VAL X 54 23.931 1.515 -0.753 1.00 0.00 C ATOM 817 CG1 VAL X 54 23.255 0.163 -0.524 1.00 0.00 C ATOM 818 CG2 VAL X 54 25.034 1.360 -1.803 1.00 0.00 C ATOM 0 H VAL X 54 21.156 1.631 -0.486 1.00 0.00 H new ATOM 0 HA VAL X 54 23.326 3.526 -1.196 1.00 0.00 H new ATOM 0 HB VAL X 54 24.364 1.868 0.183 1.00 0.00 H new ATOM 0 HG11 VAL X 54 23.993 -0.557 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL X 54 22.468 0.272 0.222 1.00 0.00 H new ATOM 0 HG13 VAL X 54 22.822 -0.190 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL X 54 25.773 0.640 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL X 54 24.599 1.007 -2.738 1.00 0.00 H new ATOM 0 HG23 VAL X 54 25.517 2.323 -1.969 1.00 0.00 H new ATOM 828 N THR X 55 22.912 3.097 -3.602 1.00 0.00 N ATOM 829 CA THR X 55 22.614 2.903 -5.010 1.00 0.00 C ATOM 830 C THR X 55 23.892 2.962 -5.833 1.00 0.00 C ATOM 831 O THR X 55 24.698 3.880 -5.678 1.00 0.00 O ATOM 832 CB THR X 55 21.646 3.986 -5.481 1.00 0.00 C ATOM 833 OG1 THR X 55 20.639 4.178 -4.498 1.00 0.00 O ATOM 834 CG2 THR X 55 20.999 3.561 -6.800 1.00 0.00 C ATOM 0 H THR X 55 23.430 3.949 -3.390 1.00 0.00 H new ATOM 0 HA THR X 55 22.157 1.923 -5.144 1.00 0.00 H new ATOM 0 HB THR X 55 22.191 4.918 -5.632 1.00 0.00 H new ATOM 0 HG1 THR X 55 20.018 4.874 -4.798 1.00 0.00 H new ATOM 0 HG21 THR X 55 20.309 4.336 -7.133 1.00 0.00 H new ATOM 0 HG22 THR X 55 21.772 3.415 -7.554 1.00 0.00 H new ATOM 0 HG23 THR X 55 20.454 2.628 -6.654 1.00 0.00 H new ATOM 842 N GLU X 56 24.078 1.980 -6.705 1.00 0.00 N ATOM 843 CA GLU X 56 25.268 1.935 -7.542 1.00 0.00 C ATOM 844 C GLU X 56 25.044 2.710 -8.838 1.00 0.00 C ATOM 845 O GLU X 56 24.188 2.303 -9.607 1.00 0.00 O ATOM 846 CB GLU X 56 25.617 0.483 -7.867 1.00 0.00 C ATOM 847 CG GLU X 56 25.024 -0.432 -6.794 1.00 0.00 C ATOM 848 CD GLU X 56 25.429 -1.877 -7.058 1.00 0.00 C ATOM 849 OE1 GLU X 56 25.144 -2.363 -8.141 1.00 0.00 O ATOM 850 OE2 GLU X 56 26.019 -2.477 -6.175 1.00 0.00 O ATOM 851 OXT GLU X 56 25.731 3.697 -9.040 1.00 0.00 O ATOM 0 H GLU X 56 23.425 1.210 -6.850 1.00 0.00 H new ATOM 0 HA GLU X 56 26.092 2.396 -6.997 1.00 0.00 H new ATOM 0 HB2 GLU X 56 25.225 0.214 -8.848 1.00 0.00 H new ATOM 0 HB3 GLU X 56 26.699 0.358 -7.910 1.00 0.00 H new ATOM 0 HG2 GLU X 56 25.372 -0.123 -5.808 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.937 -0.345 -6.791 1.00 0.00 H new TER 858 GLU X 56