USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=15 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: A 50 THR OG1 : rot -104:sc= 0.153 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 1.67 (180deg=1.62) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot -115:sc= 0.00826 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.489 K(o=-0.49,f=-4.4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -41:sc= 0.236 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0421 USER MOD Single : A 18 THR OG1 : rot 30:sc= 1.13 USER MOD Single : A 19 THR OG1 : rot 180:sc=-0.00284 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.46) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 38 ASN : amide:sc= -0.778 K(o=-0.78,f=-0.2) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -163:sc= 1.22 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.043 0.637 1.518 1.00 0.00 N ATOM 2 CA MET A 1 -15.773 -0.384 0.499 1.00 0.00 C ATOM 3 C MET A 1 -15.326 -1.674 1.156 1.00 0.00 C ATOM 4 O MET A 1 -15.993 -2.698 0.988 1.00 0.00 O ATOM 5 CB MET A 1 -14.768 0.110 -0.541 1.00 0.00 C ATOM 6 CG MET A 1 -15.061 -0.521 -1.901 1.00 0.00 C ATOM 7 SD MET A 1 -14.248 0.313 -3.285 1.00 0.00 S ATOM 8 CE MET A 1 -15.414 -0.138 -4.592 1.00 0.00 C ATOM 0 H1 MET A 1 -16.476 1.469 1.069 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.693 0.251 2.232 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.151 0.915 1.975 1.00 0.00 H new ATOM 0 HA MET A 1 -16.699 -0.586 -0.040 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.818 1.196 -0.618 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.755 -0.141 -0.226 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.746 -1.564 -1.882 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.138 -0.516 -2.068 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.082 0.289 -5.539 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.460 -1.223 -4.680 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.403 0.249 -4.347 1.00 0.00 H new ATOM 18 N GLY A 2 -14.213 -1.642 1.896 1.00 0.00 N ATOM 19 CA GLY A 2 -13.667 -2.789 2.587 1.00 0.00 C ATOM 20 C GLY A 2 -12.358 -2.423 3.264 1.00 0.00 C ATOM 21 O GLY A 2 -11.974 -1.249 3.291 1.00 0.00 O ATOM 0 H GLY A 2 -13.663 -0.793 2.027 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.380 -3.148 3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.504 -3.603 1.881 1.00 0.00 H new ATOM 25 N THR A 3 -11.703 -3.435 3.818 1.00 0.00 N ATOM 26 CA THR A 3 -10.423 -3.356 4.499 1.00 0.00 C ATOM 27 C THR A 3 -9.365 -3.740 3.458 1.00 0.00 C ATOM 28 O THR A 3 -9.560 -4.694 2.703 1.00 0.00 O ATOM 29 CB THR A 3 -10.444 -4.280 5.737 1.00 0.00 C ATOM 30 OG1 THR A 3 -9.162 -4.356 6.324 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.908 -5.723 5.473 1.00 0.00 C ATOM 0 H THR A 3 -12.074 -4.385 3.802 1.00 0.00 H new ATOM 0 HA THR A 3 -10.197 -2.361 4.881 1.00 0.00 H new ATOM 0 HB THR A 3 -11.177 -3.815 6.396 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.195 -4.944 7.107 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.887 -6.288 6.405 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.924 -5.712 5.078 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.243 -6.192 4.749 1.00 0.00 H new ATOM 39 N TYR A 4 -8.248 -3.014 3.414 1.00 0.00 N ATOM 40 CA TYR A 4 -7.143 -3.229 2.486 1.00 0.00 C ATOM 41 C TYR A 4 -5.828 -3.186 3.253 1.00 0.00 C ATOM 42 O TYR A 4 -5.778 -2.574 4.325 1.00 0.00 O ATOM 43 CB TYR A 4 -7.146 -2.139 1.392 1.00 0.00 C ATOM 44 CG TYR A 4 -8.396 -1.978 0.535 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.379 -2.300 -0.839 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.557 -1.406 1.084 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.524 -2.106 -1.635 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.711 -1.231 0.305 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.707 -1.593 -1.056 1.00 0.00 C ATOM 50 OH TYR A 4 -11.830 -1.398 -1.792 1.00 0.00 O ATOM 0 H TYR A 4 -8.084 -2.232 4.048 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.258 -4.203 2.010 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.949 -1.182 1.876 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.308 -2.337 0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.479 -2.699 -1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.561 -1.097 2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.498 -2.349 -2.687 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.604 -0.818 0.750 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.038 -0.441 -1.823 1.00 0.00 H new ATOM 60 N LYS A 5 -4.762 -3.798 2.719 1.00 0.00 N ATOM 61 CA LYS A 5 -3.443 -3.778 3.374 1.00 0.00 C ATOM 62 C LYS A 5 -2.371 -3.171 2.461 1.00 0.00 C ATOM 63 O LYS A 5 -2.411 -3.390 1.255 1.00 0.00 O ATOM 64 CB LYS A 5 -3.078 -5.194 3.837 1.00 0.00 C ATOM 65 CG LYS A 5 -3.386 -5.409 5.323 1.00 0.00 C ATOM 66 CD LYS A 5 -2.892 -6.783 5.789 1.00 0.00 C ATOM 67 CE LYS A 5 -2.605 -6.755 7.293 1.00 0.00 C ATOM 68 NZ LYS A 5 -2.190 -8.081 7.782 1.00 0.00 N ATOM 0 H LYS A 5 -4.785 -4.312 1.838 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.492 -3.134 4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.629 -5.923 3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.018 -5.372 3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.910 -4.627 5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.460 -5.327 5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.642 -7.542 5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.989 -7.058 5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.822 -6.026 7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.496 -6.429 7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.002 -8.031 8.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.948 -8.770 7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.326 -8.379 7.286 1.00 0.00 H new ATOM 82 N LEU A 6 -1.484 -2.309 2.972 1.00 0.00 N ATOM 83 CA LEU A 6 -0.390 -1.685 2.217 1.00 0.00 C ATOM 84 C LEU A 6 0.949 -2.019 2.891 1.00 0.00 C ATOM 85 O LEU A 6 1.230 -1.493 3.968 1.00 0.00 O ATOM 86 CB LEU A 6 -0.669 -0.185 2.000 1.00 0.00 C ATOM 87 CG LEU A 6 -0.089 0.342 0.670 1.00 0.00 C ATOM 88 CD1 LEU A 6 -0.823 1.614 0.248 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.404 0.649 0.744 1.00 0.00 C ATOM 0 H LEU A 6 -1.508 -2.018 3.949 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.323 -2.095 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.745 -0.014 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.244 0.383 2.828 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.230 -0.455 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.408 1.979 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.883 1.396 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.703 2.376 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.749 1.015 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.582 1.410 1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.950 -0.258 1.004 1.00 0.00 H new ATOM 101 N ILE A 7 1.771 -2.865 2.280 1.00 0.00 N ATOM 102 CA ILE A 7 3.085 -3.350 2.722 1.00 0.00 C ATOM 103 C ILE A 7 4.156 -3.024 1.676 1.00 0.00 C ATOM 104 O ILE A 7 3.955 -3.217 0.478 1.00 0.00 O ATOM 105 CB ILE A 7 3.008 -4.851 3.111 1.00 0.00 C ATOM 106 CG1 ILE A 7 4.393 -5.424 3.493 1.00 0.00 C ATOM 107 CG2 ILE A 7 2.377 -5.727 2.012 1.00 0.00 C ATOM 108 CD1 ILE A 7 4.333 -6.806 4.158 1.00 0.00 C ATOM 0 H ILE A 7 1.516 -3.269 1.379 1.00 0.00 H new ATOM 0 HA ILE A 7 3.388 -2.826 3.628 1.00 0.00 H new ATOM 0 HB ILE A 7 2.356 -4.885 3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.008 -5.490 2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.889 -4.728 4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.352 -6.765 2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.362 -5.385 1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.971 -5.652 1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.343 -7.140 4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.746 -6.744 5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.867 -7.518 3.477 1.00 0.00 H new ATOM 120 N LEU A 8 5.277 -2.479 2.145 1.00 0.00 N ATOM 121 CA LEU A 8 6.419 -2.048 1.357 1.00 0.00 C ATOM 122 C LEU A 8 7.658 -2.869 1.715 1.00 0.00 C ATOM 123 O LEU A 8 7.850 -3.198 2.894 1.00 0.00 O ATOM 124 CB LEU A 8 6.679 -0.551 1.621 1.00 0.00 C ATOM 125 CG LEU A 8 5.549 0.473 1.378 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.969 0.375 -0.038 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.436 0.448 2.430 1.00 0.00 C ATOM 0 H LEU A 8 5.416 -2.319 3.143 1.00 0.00 H new ATOM 0 HA LEU A 8 6.204 -2.201 0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.991 -0.452 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.527 -0.253 1.004 1.00 0.00 H new ATOM 0 HG LEU A 8 6.036 1.443 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.178 1.115 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.757 0.563 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.559 -0.623 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.685 1.198 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.973 -0.539 2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.858 0.667 3.411 1.00 0.00 H new ATOM 139 N ASN A 9 8.459 -3.237 0.704 1.00 0.00 N ATOM 140 CA ASN A 9 9.694 -4.015 0.857 1.00 0.00 C ATOM 141 C ASN A 9 10.865 -3.302 0.193 1.00 0.00 C ATOM 142 O ASN A 9 11.200 -3.582 -0.962 1.00 0.00 O ATOM 143 CB ASN A 9 9.582 -5.451 0.326 1.00 0.00 C ATOM 144 CG ASN A 9 8.579 -6.268 1.105 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.781 -6.529 2.288 1.00 0.00 O ATOM 146 ND2 ASN A 9 7.487 -6.670 0.484 1.00 0.00 N ATOM 0 H ASN A 9 8.259 -2.995 -0.267 1.00 0.00 H new ATOM 0 HA ASN A 9 9.870 -4.091 1.930 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.292 -5.427 -0.724 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.558 -5.933 0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.784 -7.212 0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.345 -6.439 -0.499 1.00 0.00 H new ATOM 153 N GLY A 10 11.471 -2.362 0.909 1.00 0.00 N ATOM 154 CA GLY A 10 12.616 -1.593 0.452 1.00 0.00 C ATOM 155 C GLY A 10 13.901 -2.296 0.883 1.00 0.00 C ATOM 156 O GLY A 10 13.879 -3.174 1.750 1.00 0.00 O ATOM 0 H GLY A 10 11.169 -2.109 1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.590 -1.491 -0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.582 -0.586 0.868 1.00 0.00 H new ATOM 160 N LYS A 11 15.045 -1.872 0.345 1.00 0.00 N ATOM 161 CA LYS A 11 16.347 -2.475 0.658 1.00 0.00 C ATOM 162 C LYS A 11 16.660 -2.441 2.151 1.00 0.00 C ATOM 163 O LYS A 11 17.126 -3.438 2.705 1.00 0.00 O ATOM 164 CB LYS A 11 17.391 -1.747 -0.192 1.00 0.00 C ATOM 165 CG LYS A 11 18.865 -2.091 0.067 1.00 0.00 C ATOM 166 CD LYS A 11 19.665 -1.318 -0.986 1.00 0.00 C ATOM 167 CE LYS A 11 21.173 -1.534 -0.922 1.00 0.00 C ATOM 168 NZ LYS A 11 21.830 -0.843 -2.051 1.00 0.00 N ATOM 0 H LYS A 11 15.098 -1.101 -0.321 1.00 0.00 H new ATOM 0 HA LYS A 11 16.346 -3.537 0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.175 -1.950 -1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.262 -0.675 -0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.163 -1.801 1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.037 -3.164 -0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.312 -1.607 -1.976 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.458 -0.254 -0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.563 -1.156 0.023 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.398 -2.600 -0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 22.858 -0.995 -2.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 21.468 -1.223 -2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.628 0.176 -1.999 1.00 0.00 H new ATOM 182 N THR A 12 16.521 -1.279 2.789 1.00 0.00 N ATOM 183 CA THR A 12 16.748 -1.125 4.223 1.00 0.00 C ATOM 184 C THR A 12 15.520 -0.549 4.946 1.00 0.00 C ATOM 185 O THR A 12 15.646 -0.082 6.078 1.00 0.00 O ATOM 186 CB THR A 12 18.109 -0.463 4.500 1.00 0.00 C ATOM 187 OG1 THR A 12 18.490 -0.642 5.856 1.00 0.00 O ATOM 188 CG2 THR A 12 18.163 1.022 4.128 1.00 0.00 C ATOM 0 H THR A 12 16.246 -0.415 2.322 1.00 0.00 H new ATOM 0 HA THR A 12 16.846 -2.106 4.688 1.00 0.00 H new ATOM 0 HB THR A 12 18.821 -0.969 3.848 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.707 -0.525 6.434 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.154 1.417 4.352 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.958 1.138 3.064 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.415 1.569 4.703 1.00 0.00 H new ATOM 196 N LEU A 13 14.357 -0.459 4.295 1.00 0.00 N ATOM 197 CA LEU A 13 13.143 0.095 4.892 1.00 0.00 C ATOM 198 C LEU A 13 11.994 -0.884 4.692 1.00 0.00 C ATOM 199 O LEU A 13 11.890 -1.470 3.615 1.00 0.00 O ATOM 200 CB LEU A 13 12.812 1.452 4.238 1.00 0.00 C ATOM 201 CG LEU A 13 13.927 2.518 4.305 1.00 0.00 C ATOM 202 CD1 LEU A 13 13.582 3.702 3.396 1.00 0.00 C ATOM 203 CD2 LEU A 13 14.158 3.025 5.732 1.00 0.00 C ATOM 0 H LEU A 13 14.233 -0.771 3.332 1.00 0.00 H new ATOM 0 HA LEU A 13 13.297 0.252 5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.563 1.279 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.919 1.856 4.715 1.00 0.00 H new ATOM 0 HG LEU A 13 14.846 2.041 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.376 4.447 3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.482 3.354 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.642 4.148 3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.951 3.773 5.729 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.240 3.472 6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 13 14.448 2.192 6.372 1.00 0.00 H new ATOM 215 N LYS A 14 11.134 -1.082 5.691 1.00 0.00 N ATOM 216 CA LYS A 14 9.973 -1.978 5.615 1.00 0.00 C ATOM 217 C LYS A 14 8.800 -1.365 6.365 1.00 0.00 C ATOM 218 O LYS A 14 9.004 -0.585 7.301 1.00 0.00 O ATOM 219 CB LYS A 14 10.291 -3.374 6.189 1.00 0.00 C ATOM 220 CG LYS A 14 10.945 -4.296 5.151 1.00 0.00 C ATOM 221 CD LYS A 14 10.860 -5.765 5.586 1.00 0.00 C ATOM 222 CE LYS A 14 11.246 -6.657 4.405 1.00 0.00 C ATOM 223 NZ LYS A 14 10.867 -8.069 4.605 1.00 0.00 N ATOM 0 H LYS A 14 11.224 -0.617 6.594 1.00 0.00 H new ATOM 0 HA LYS A 14 9.714 -2.102 4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.955 -3.269 7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.371 -3.833 6.551 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.453 -4.170 4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.989 -4.013 5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.526 -5.947 6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.850 -6.001 5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.767 -6.282 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.322 -6.594 4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.153 -8.626 3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.344 -8.440 5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.837 -8.138 4.730 1.00 0.00 H new ATOM 237 N GLY A 15 7.578 -1.764 6.034 1.00 0.00 N ATOM 238 CA GLY A 15 6.386 -1.262 6.691 1.00 0.00 C ATOM 239 C GLY A 15 5.173 -2.013 6.183 1.00 0.00 C ATOM 240 O GLY A 15 5.168 -2.402 5.017 1.00 0.00 O ATOM 0 H GLY A 15 7.389 -2.447 5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.475 -1.382 7.771 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.273 -0.195 6.497 1.00 0.00 H new ATOM 244 N GLU A 16 4.147 -2.199 7.012 1.00 0.00 N ATOM 245 CA GLU A 16 2.927 -2.912 6.662 1.00 0.00 C ATOM 246 C GLU A 16 1.743 -2.301 7.415 1.00 0.00 C ATOM 247 O GLU A 16 1.706 -2.337 8.643 1.00 0.00 O ATOM 248 CB GLU A 16 3.099 -4.429 6.906 1.00 0.00 C ATOM 249 CG GLU A 16 3.484 -4.920 8.317 1.00 0.00 C ATOM 250 CD GLU A 16 2.576 -6.071 8.762 1.00 0.00 C ATOM 251 OE1 GLU A 16 2.759 -7.222 8.306 1.00 0.00 O ATOM 252 OE2 GLU A 16 1.598 -5.817 9.511 1.00 0.00 O ATOM 0 H GLU A 16 4.145 -1.848 7.970 1.00 0.00 H new ATOM 0 HA GLU A 16 2.717 -2.802 5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.162 -4.915 6.633 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.859 -4.790 6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.523 -5.249 8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.408 -4.096 9.027 1.00 0.00 H new ATOM 259 N THR A 17 0.760 -1.730 6.711 1.00 0.00 N ATOM 260 CA THR A 17 -0.410 -1.116 7.360 1.00 0.00 C ATOM 261 C THR A 17 -1.711 -1.602 6.727 1.00 0.00 C ATOM 262 O THR A 17 -1.690 -2.391 5.780 1.00 0.00 O ATOM 263 CB THR A 17 -0.271 0.422 7.405 1.00 0.00 C ATOM 264 OG1 THR A 17 -1.163 0.960 8.369 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.577 1.061 6.046 1.00 0.00 C ATOM 0 H THR A 17 0.748 -1.679 5.692 1.00 0.00 H new ATOM 0 HA THR A 17 -0.451 -1.443 8.399 1.00 0.00 H new ATOM 0 HB THR A 17 0.762 0.646 7.671 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.069 1.935 8.394 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.468 2.143 6.120 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.117 0.677 5.299 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.598 0.818 5.752 1.00 0.00 H new ATOM 273 N THR A 18 -2.845 -1.166 7.266 1.00 0.00 N ATOM 274 CA THR A 18 -4.174 -1.498 6.793 1.00 0.00 C ATOM 275 C THR A 18 -5.037 -0.239 6.845 1.00 0.00 C ATOM 276 O THR A 18 -4.795 0.645 7.675 1.00 0.00 O ATOM 277 CB THR A 18 -4.742 -2.682 7.603 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.958 -3.135 7.046 1.00 0.00 O ATOM 279 CG2 THR A 18 -5.005 -2.362 9.081 1.00 0.00 C ATOM 0 H THR A 18 -2.858 -0.547 8.077 1.00 0.00 H new ATOM 0 HA THR A 18 -4.155 -1.833 5.756 1.00 0.00 H new ATOM 0 HB THR A 18 -3.967 -3.446 7.552 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.953 -2.978 6.079 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.403 -3.246 9.579 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.072 -2.064 9.560 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.727 -1.548 9.154 1.00 0.00 H new ATOM 287 N THR A 19 -6.032 -0.153 5.964 1.00 0.00 N ATOM 288 CA THR A 19 -6.942 0.971 5.893 1.00 0.00 C ATOM 289 C THR A 19 -8.312 0.489 5.405 1.00 0.00 C ATOM 290 O THR A 19 -8.423 -0.303 4.463 1.00 0.00 O ATOM 291 CB THR A 19 -6.384 2.041 4.937 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.024 2.363 5.184 1.00 0.00 O ATOM 293 CG2 THR A 19 -7.207 3.332 4.981 1.00 0.00 C ATOM 0 H THR A 19 -6.225 -0.877 5.272 1.00 0.00 H new ATOM 0 HA THR A 19 -7.050 1.412 6.884 1.00 0.00 H new ATOM 0 HB THR A 19 -6.454 1.591 3.947 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.728 3.045 4.545 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.779 4.060 4.292 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.235 3.118 4.690 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.193 3.738 5.992 1.00 0.00 H new ATOM 301 N GLU A 20 -9.359 1.009 6.031 1.00 0.00 N ATOM 302 CA GLU A 20 -10.762 0.771 5.758 1.00 0.00 C ATOM 303 C GLU A 20 -11.266 2.158 5.379 1.00 0.00 C ATOM 304 O GLU A 20 -11.035 3.102 6.140 1.00 0.00 O ATOM 305 CB GLU A 20 -11.492 0.231 7.000 1.00 0.00 C ATOM 306 CG GLU A 20 -13.000 0.042 6.747 1.00 0.00 C ATOM 307 CD GLU A 20 -13.813 0.006 8.045 1.00 0.00 C ATOM 308 OE1 GLU A 20 -13.446 -0.751 8.973 1.00 0.00 O ATOM 309 OE2 GLU A 20 -14.859 0.689 8.120 1.00 0.00 O ATOM 0 H GLU A 20 -9.234 1.661 6.805 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.931 0.022 4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.052 -0.722 7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.348 0.919 7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.364 0.853 6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.159 -0.885 6.197 1.00 0.00 H new ATOM 316 N ALA A 21 -11.868 2.311 4.201 1.00 0.00 N ATOM 317 CA ALA A 21 -12.390 3.592 3.759 1.00 0.00 C ATOM 318 C ALA A 21 -13.692 3.376 2.998 1.00 0.00 C ATOM 319 O ALA A 21 -14.009 2.266 2.552 1.00 0.00 O ATOM 320 CB ALA A 21 -11.350 4.332 2.910 1.00 0.00 C ATOM 0 H ALA A 21 -12.005 1.552 3.533 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.602 4.218 4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.758 5.290 2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.451 4.502 3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.100 3.731 2.036 1.00 0.00 H new ATOM 326 N VAL A 22 -14.419 4.476 2.817 1.00 0.00 N ATOM 327 CA VAL A 22 -15.702 4.524 2.141 1.00 0.00 C ATOM 328 C VAL A 22 -15.611 3.987 0.708 1.00 0.00 C ATOM 329 O VAL A 22 -16.495 3.236 0.290 1.00 0.00 O ATOM 330 CB VAL A 22 -16.288 5.952 2.236 1.00 0.00 C ATOM 331 CG1 VAL A 22 -16.392 6.412 3.699 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.492 7.016 1.461 1.00 0.00 C ATOM 0 H VAL A 22 -14.114 5.390 3.152 1.00 0.00 H new ATOM 0 HA VAL A 22 -16.400 3.856 2.645 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.273 5.872 1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -16.807 7.419 3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -17.042 5.732 4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.401 6.412 4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.971 7.988 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.474 7.063 1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.466 6.752 0.404 1.00 0.00 H new ATOM 342 N ASP A 23 -14.541 4.296 -0.031 1.00 0.00 N ATOM 343 CA ASP A 23 -14.333 3.859 -1.411 1.00 0.00 C ATOM 344 C ASP A 23 -12.843 3.779 -1.732 1.00 0.00 C ATOM 345 O ASP A 23 -12.019 4.343 -1.002 1.00 0.00 O ATOM 346 CB ASP A 23 -14.996 4.850 -2.367 1.00 0.00 C ATOM 347 CG ASP A 23 -15.088 4.258 -3.766 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.245 4.613 -4.618 1.00 0.00 O ATOM 349 OD2 ASP A 23 -15.959 3.383 -3.959 1.00 0.00 O ATOM 0 H ASP A 23 -13.778 4.871 0.325 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.775 2.870 -1.530 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.993 5.102 -2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.423 5.777 -2.395 1.00 0.00 H new ATOM 354 N ALA A 24 -12.486 3.077 -2.808 1.00 0.00 N ATOM 355 CA ALA A 24 -11.114 2.939 -3.262 1.00 0.00 C ATOM 356 C ALA A 24 -10.585 4.326 -3.654 1.00 0.00 C ATOM 357 O ALA A 24 -9.433 4.628 -3.361 1.00 0.00 O ATOM 358 CB ALA A 24 -11.048 1.943 -4.424 1.00 0.00 C ATOM 0 H ALA A 24 -13.158 2.582 -3.394 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.482 2.544 -2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.016 1.844 -4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.416 0.972 -4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.665 2.303 -5.247 1.00 0.00 H new ATOM 364 N ALA A 25 -11.425 5.203 -4.223 1.00 0.00 N ATOM 365 CA ALA A 25 -11.038 6.556 -4.620 1.00 0.00 C ATOM 366 C ALA A 25 -10.475 7.345 -3.431 1.00 0.00 C ATOM 367 O ALA A 25 -9.496 8.079 -3.568 1.00 0.00 O ATOM 368 CB ALA A 25 -12.264 7.276 -5.192 1.00 0.00 C ATOM 0 H ALA A 25 -12.402 4.986 -4.421 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.255 6.490 -5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.986 8.287 -5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.635 6.730 -6.059 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.045 7.324 -4.433 1.00 0.00 H new ATOM 374 N THR A 26 -11.104 7.210 -2.260 1.00 0.00 N ATOM 375 CA THR A 26 -10.693 7.882 -1.035 1.00 0.00 C ATOM 376 C THR A 26 -9.362 7.300 -0.523 1.00 0.00 C ATOM 377 O THR A 26 -8.540 8.028 0.045 1.00 0.00 O ATOM 378 CB THR A 26 -11.853 7.763 -0.026 1.00 0.00 C ATOM 379 OG1 THR A 26 -12.862 8.700 -0.361 1.00 0.00 O ATOM 380 CG2 THR A 26 -11.456 8.031 1.426 1.00 0.00 C ATOM 0 H THR A 26 -11.927 6.619 -2.140 1.00 0.00 H new ATOM 0 HA THR A 26 -10.496 8.941 -1.203 1.00 0.00 H new ATOM 0 HB THR A 26 -12.192 6.729 -0.093 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.602 8.626 0.277 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.331 7.926 2.068 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.693 7.315 1.733 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.060 9.043 1.514 1.00 0.00 H new ATOM 388 N ALA A 27 -9.146 5.993 -0.697 1.00 0.00 N ATOM 389 CA ALA A 27 -7.934 5.307 -0.270 1.00 0.00 C ATOM 390 C ALA A 27 -6.750 5.560 -1.204 1.00 0.00 C ATOM 391 O ALA A 27 -5.616 5.595 -0.738 1.00 0.00 O ATOM 392 CB ALA A 27 -8.207 3.814 -0.164 1.00 0.00 C ATOM 0 H ALA A 27 -9.823 5.376 -1.146 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.657 5.710 0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.300 3.300 0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.999 3.640 0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.518 3.431 -1.136 1.00 0.00 H new ATOM 398 N GLU A 28 -6.983 5.807 -2.492 1.00 0.00 N ATOM 399 CA GLU A 28 -5.927 6.054 -3.470 1.00 0.00 C ATOM 400 C GLU A 28 -4.992 7.193 -3.006 1.00 0.00 C ATOM 401 O GLU A 28 -3.794 7.193 -3.298 1.00 0.00 O ATOM 402 CB GLU A 28 -6.564 6.319 -4.837 1.00 0.00 C ATOM 403 CG GLU A 28 -5.562 6.066 -5.970 1.00 0.00 C ATOM 404 CD GLU A 28 -6.083 6.627 -7.287 1.00 0.00 C ATOM 405 OE1 GLU A 28 -6.630 5.863 -8.113 1.00 0.00 O ATOM 406 OE2 GLU A 28 -5.943 7.858 -7.501 1.00 0.00 O ATOM 0 H GLU A 28 -7.922 5.841 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.292 5.173 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.435 5.676 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.918 7.349 -4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.605 6.528 -5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.383 4.996 -6.071 1.00 0.00 H new ATOM 413 N LYS A 29 -5.517 8.161 -2.246 1.00 0.00 N ATOM 414 CA LYS A 29 -4.719 9.261 -1.720 1.00 0.00 C ATOM 415 C LYS A 29 -3.685 8.715 -0.739 1.00 0.00 C ATOM 416 O LYS A 29 -2.510 9.077 -0.825 1.00 0.00 O ATOM 417 CB LYS A 29 -5.601 10.302 -1.025 1.00 0.00 C ATOM 418 CG LYS A 29 -6.666 10.878 -1.961 1.00 0.00 C ATOM 419 CD LYS A 29 -7.237 12.191 -1.419 1.00 0.00 C ATOM 420 CE LYS A 29 -8.114 12.826 -2.500 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.506 14.205 -2.160 1.00 0.00 N ATOM 0 H LYS A 29 -6.502 8.199 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.214 9.751 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.087 9.846 -0.162 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.976 11.111 -0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.233 11.048 -2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.471 10.154 -2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.822 12.006 -0.518 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.430 12.868 -1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.576 12.826 -3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.009 12.220 -2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.099 14.595 -2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.042 14.204 -1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.654 14.791 -2.050 1.00 0.00 H new ATOM 435 N VAL A 30 -4.123 7.878 0.214 1.00 0.00 N ATOM 436 CA VAL A 30 -3.233 7.284 1.201 1.00 0.00 C ATOM 437 C VAL A 30 -2.246 6.346 0.511 1.00 0.00 C ATOM 438 O VAL A 30 -1.100 6.291 0.945 1.00 0.00 O ATOM 439 CB VAL A 30 -3.988 6.648 2.396 1.00 0.00 C ATOM 440 CG1 VAL A 30 -4.365 5.164 2.274 1.00 0.00 C ATOM 441 CG2 VAL A 30 -3.120 6.766 3.652 1.00 0.00 C ATOM 0 H VAL A 30 -5.099 7.601 0.315 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.650 8.080 1.664 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.925 7.203 2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.887 4.846 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.014 5.023 1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.461 4.568 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.643 6.321 4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.177 6.244 3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.922 7.817 3.860 1.00 0.00 H new ATOM 451 N PHE A 31 -2.644 5.662 -0.572 1.00 0.00 N ATOM 452 CA PHE A 31 -1.759 4.745 -1.284 1.00 0.00 C ATOM 453 C PHE A 31 -0.502 5.492 -1.715 1.00 0.00 C ATOM 454 O PHE A 31 0.603 5.003 -1.491 1.00 0.00 O ATOM 455 CB PHE A 31 -2.525 4.162 -2.495 1.00 0.00 C ATOM 456 CG PHE A 31 -1.764 3.388 -3.566 1.00 0.00 C ATOM 457 CD1 PHE A 31 -0.819 4.025 -4.404 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.105 2.047 -3.826 1.00 0.00 C ATOM 459 CE1 PHE A 31 -0.190 3.321 -5.442 1.00 0.00 C ATOM 460 CE2 PHE A 31 -1.525 1.364 -4.908 1.00 0.00 C ATOM 461 CZ PHE A 31 -0.567 1.999 -5.717 1.00 0.00 C ATOM 0 H PHE A 31 -3.580 5.732 -0.971 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.451 3.920 -0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.299 3.502 -2.104 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.032 4.990 -2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.579 5.066 -4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.816 1.541 -3.190 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.583 3.796 -6.028 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.817 0.346 -5.119 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.123 1.470 -6.548 1.00 0.00 H new ATOM 471 N LYS A 32 -0.659 6.701 -2.265 1.00 0.00 N ATOM 472 CA LYS A 32 0.484 7.486 -2.704 1.00 0.00 C ATOM 473 C LYS A 32 1.197 8.139 -1.525 1.00 0.00 C ATOM 474 O LYS A 32 2.412 8.001 -1.418 1.00 0.00 O ATOM 475 CB LYS A 32 0.031 8.502 -3.764 1.00 0.00 C ATOM 476 CG LYS A 32 1.214 9.210 -4.446 1.00 0.00 C ATOM 477 CD LYS A 32 0.722 9.991 -5.670 1.00 0.00 C ATOM 478 CE LYS A 32 1.845 10.770 -6.362 1.00 0.00 C ATOM 479 NZ LYS A 32 1.354 11.441 -7.582 1.00 0.00 N ATOM 0 H LYS A 32 -1.563 7.149 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 32 1.219 6.827 -3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.567 7.992 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.613 9.247 -3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.698 9.887 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.962 8.477 -4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.273 9.298 -6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.061 10.685 -5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.254 11.511 -5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.658 10.091 -6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.135 11.961 -8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.986 10.730 -8.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.595 12.106 -7.331 1.00 0.00 H new ATOM 493 N GLN A 33 0.454 8.809 -0.635 1.00 0.00 N ATOM 494 CA GLN A 33 1.049 9.508 0.497 1.00 0.00 C ATOM 495 C GLN A 33 1.818 8.625 1.465 1.00 0.00 C ATOM 496 O GLN A 33 2.982 8.909 1.704 1.00 0.00 O ATOM 497 CB GLN A 33 -0.069 10.236 1.273 1.00 0.00 C ATOM 498 CG GLN A 33 0.374 10.869 2.614 1.00 0.00 C ATOM 499 CD GLN A 33 0.227 9.978 3.852 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.181 9.645 4.554 1.00 0.00 O ATOM 501 NE2 GLN A 33 -0.998 9.612 4.175 1.00 0.00 N ATOM 0 H GLN A 33 -0.563 8.878 -0.683 1.00 0.00 H new ATOM 0 HA GLN A 33 1.780 10.196 0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.482 11.019 0.637 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.874 9.528 1.471 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.419 11.167 2.526 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.205 11.779 2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.785 9.891 3.589 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.159 9.050 5.011 1.00 0.00 H new ATOM 510 N TYR A 34 1.229 7.542 1.969 1.00 0.00 N ATOM 511 CA TYR A 34 1.912 6.701 2.938 1.00 0.00 C ATOM 512 C TYR A 34 3.147 6.057 2.340 1.00 0.00 C ATOM 513 O TYR A 34 4.216 6.121 2.938 1.00 0.00 O ATOM 514 CB TYR A 34 0.941 5.672 3.528 1.00 0.00 C ATOM 515 CG TYR A 34 1.600 4.456 4.144 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.301 3.181 3.634 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.541 4.595 5.179 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.929 2.043 4.170 1.00 0.00 C ATOM 519 CE2 TYR A 34 3.170 3.460 5.720 1.00 0.00 C ATOM 520 CZ TYR A 34 2.853 2.175 5.229 1.00 0.00 C ATOM 521 OH TYR A 34 3.438 1.065 5.762 1.00 0.00 O ATOM 0 H TYR A 34 0.289 7.232 1.723 1.00 0.00 H new ATOM 0 HA TYR A 34 2.262 7.328 3.758 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.332 6.162 4.288 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.263 5.341 2.741 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.588 3.075 2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.781 5.577 5.560 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.704 1.065 3.770 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.896 3.571 6.512 1.00 0.00 H new ATOM 0 HH TYR A 34 4.049 1.330 6.481 1.00 0.00 H new ATOM 531 N ALA A 35 3.016 5.441 1.168 1.00 0.00 N ATOM 532 CA ALA A 35 4.139 4.785 0.533 1.00 0.00 C ATOM 533 C ALA A 35 5.274 5.771 0.250 1.00 0.00 C ATOM 534 O ALA A 35 6.415 5.526 0.629 1.00 0.00 O ATOM 535 CB ALA A 35 3.620 4.066 -0.704 1.00 0.00 C ATOM 0 H ALA A 35 2.142 5.386 0.645 1.00 0.00 H new ATOM 0 HA ALA A 35 4.584 4.043 1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.446 3.561 -1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.870 3.331 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.171 4.790 -1.384 1.00 0.00 H new ATOM 541 N ASN A 36 4.989 6.908 -0.381 1.00 0.00 N ATOM 542 CA ASN A 36 6.027 7.892 -0.674 1.00 0.00 C ATOM 543 C ASN A 36 6.641 8.468 0.606 1.00 0.00 C ATOM 544 O ASN A 36 7.846 8.723 0.630 1.00 0.00 O ATOM 545 CB ASN A 36 5.443 8.964 -1.575 1.00 0.00 C ATOM 546 CG ASN A 36 6.440 10.079 -1.845 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.524 11.041 -1.093 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.206 9.996 -2.916 1.00 0.00 N ATOM 0 H ASN A 36 4.055 7.169 -0.697 1.00 0.00 H new ATOM 0 HA ASN A 36 6.851 7.408 -1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.134 8.516 -2.519 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.549 9.380 -1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.875 10.737 -3.123 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.129 9.190 -3.537 1.00 0.00 H new ATOM 555 N ASP A 37 5.858 8.627 1.678 1.00 0.00 N ATOM 556 CA ASP A 37 6.336 9.139 2.970 1.00 0.00 C ATOM 557 C ASP A 37 7.265 8.101 3.624 1.00 0.00 C ATOM 558 O ASP A 37 8.156 8.432 4.404 1.00 0.00 O ATOM 559 CB ASP A 37 5.140 9.467 3.873 1.00 0.00 C ATOM 560 CG ASP A 37 5.521 10.327 5.071 1.00 0.00 C ATOM 561 OD1 ASP A 37 5.601 11.565 4.905 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.611 9.815 6.208 1.00 0.00 O ATOM 0 H ASP A 37 4.863 8.402 1.675 1.00 0.00 H new ATOM 0 HA ASP A 37 6.904 10.057 2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.380 9.985 3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.692 8.538 4.226 1.00 0.00 H new ATOM 567 N ASN A 38 7.112 6.830 3.230 1.00 0.00 N ATOM 568 CA ASN A 38 7.893 5.680 3.681 1.00 0.00 C ATOM 569 C ASN A 38 9.199 5.615 2.853 1.00 0.00 C ATOM 570 O ASN A 38 10.054 4.775 3.136 1.00 0.00 O ATOM 571 CB ASN A 38 7.035 4.404 3.524 1.00 0.00 C ATOM 572 CG ASN A 38 7.307 3.242 4.472 1.00 0.00 C ATOM 573 OD1 ASN A 38 8.323 3.155 5.162 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.377 2.300 4.498 1.00 0.00 N ATOM 0 H ASN A 38 6.399 6.566 2.550 1.00 0.00 H new ATOM 0 HA ASN A 38 8.166 5.770 4.732 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.989 4.689 3.635 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.160 4.040 2.504 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.495 1.483 5.097 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.542 2.391 3.919 1.00 0.00 H new ATOM 581 N GLY A 39 9.370 6.487 1.846 1.00 0.00 N ATOM 582 CA GLY A 39 10.547 6.604 0.987 1.00 0.00 C ATOM 583 C GLY A 39 10.678 5.536 -0.091 1.00 0.00 C ATOM 584 O GLY A 39 11.797 5.253 -0.515 1.00 0.00 O ATOM 0 H GLY A 39 8.648 7.164 1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.529 7.582 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.438 6.574 1.614 1.00 0.00 H new ATOM 588 N VAL A 40 9.577 4.957 -0.565 1.00 0.00 N ATOM 589 CA VAL A 40 9.641 3.896 -1.565 1.00 0.00 C ATOM 590 C VAL A 40 9.806 4.314 -3.019 1.00 0.00 C ATOM 591 O VAL A 40 9.285 5.342 -3.467 1.00 0.00 O ATOM 592 CB VAL A 40 8.401 2.994 -1.484 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.103 2.617 -0.040 1.00 0.00 C ATOM 594 CG2 VAL A 40 7.122 3.603 -2.079 1.00 0.00 C ATOM 0 H VAL A 40 8.632 5.205 -0.273 1.00 0.00 H new ATOM 0 HA VAL A 40 10.563 3.382 -1.295 1.00 0.00 H new ATOM 0 HB VAL A 40 8.662 2.123 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.221 1.978 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.955 2.082 0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.919 3.520 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.300 2.895 -1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.876 4.523 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.281 3.824 -3.134 1.00 0.00 H new ATOM 604 N ASP A 41 10.575 3.494 -3.721 1.00 0.00 N ATOM 605 CA ASP A 41 10.867 3.528 -5.138 1.00 0.00 C ATOM 606 C ASP A 41 10.811 2.047 -5.535 1.00 0.00 C ATOM 607 O ASP A 41 11.692 1.296 -5.115 1.00 0.00 O ATOM 608 CB ASP A 41 12.193 4.216 -5.464 1.00 0.00 C ATOM 609 CG ASP A 41 12.369 4.286 -6.975 1.00 0.00 C ATOM 610 OD1 ASP A 41 13.512 4.137 -7.462 1.00 0.00 O ATOM 611 OD2 ASP A 41 11.369 4.518 -7.695 1.00 0.00 O ATOM 0 H ASP A 41 11.053 2.717 -3.265 1.00 0.00 H new ATOM 0 HA ASP A 41 10.161 4.133 -5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.209 5.219 -5.038 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.020 3.666 -5.016 1.00 0.00 H new ATOM 616 N GLY A 42 9.758 1.565 -6.203 1.00 0.00 N ATOM 617 CA GLY A 42 9.661 0.148 -6.576 1.00 0.00 C ATOM 618 C GLY A 42 8.359 -0.181 -7.302 1.00 0.00 C ATOM 619 O GLY A 42 7.529 0.707 -7.497 1.00 0.00 O ATOM 0 H GLY A 42 8.963 2.132 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.505 -0.114 -7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.737 -0.466 -5.679 1.00 0.00 H new ATOM 623 N GLU A 43 8.180 -1.436 -7.707 1.00 0.00 N ATOM 624 CA GLU A 43 7.025 -1.958 -8.449 1.00 0.00 C ATOM 625 C GLU A 43 5.952 -2.480 -7.493 1.00 0.00 C ATOM 626 O GLU A 43 6.276 -3.003 -6.426 1.00 0.00 O ATOM 627 CB GLU A 43 7.473 -3.039 -9.448 1.00 0.00 C ATOM 628 CG GLU A 43 8.220 -4.224 -8.811 1.00 0.00 C ATOM 629 CD GLU A 43 7.702 -5.567 -9.308 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.616 -5.992 -8.842 1.00 0.00 O ATOM 631 OE2 GLU A 43 8.387 -6.194 -10.150 1.00 0.00 O ATOM 0 H GLU A 43 8.873 -2.160 -7.518 1.00 0.00 H new ATOM 0 HA GLU A 43 6.580 -1.142 -9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.596 -3.418 -9.972 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.118 -2.579 -10.197 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.284 -4.142 -9.034 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.117 -4.176 -7.727 1.00 0.00 H new ATOM 638 N TRP A 44 4.680 -2.399 -7.891 1.00 0.00 N ATOM 639 CA TRP A 44 3.527 -2.799 -7.085 1.00 0.00 C ATOM 640 C TRP A 44 2.800 -4.048 -7.603 1.00 0.00 C ATOM 641 O TRP A 44 2.620 -4.197 -8.813 1.00 0.00 O ATOM 642 CB TRP A 44 2.571 -1.586 -7.085 1.00 0.00 C ATOM 643 CG TRP A 44 3.081 -0.344 -6.397 1.00 0.00 C ATOM 644 CD1 TRP A 44 4.186 0.365 -6.734 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.540 0.335 -5.219 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.403 1.363 -5.811 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.375 1.448 -4.905 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.436 0.118 -4.370 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.117 2.312 -3.832 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.173 0.967 -3.281 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.992 2.077 -3.026 1.00 0.00 C ATOM 0 H TRP A 44 4.418 -2.043 -8.810 1.00 0.00 H new ATOM 0 HA TRP A 44 3.869 -3.074 -6.087 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.335 -1.334 -8.119 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.637 -1.884 -6.609 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.805 0.175 -7.599 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.226 1.965 -5.801 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.779 -0.718 -4.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.773 3.145 -3.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.332 0.763 -2.634 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.758 2.748 -2.213 1.00 0.00 H new ATOM 662 N THR A 45 2.314 -4.908 -6.704 1.00 0.00 N ATOM 663 CA THR A 45 1.553 -6.142 -6.958 1.00 0.00 C ATOM 664 C THR A 45 0.337 -6.150 -6.004 1.00 0.00 C ATOM 665 O THR A 45 0.358 -5.435 -4.994 1.00 0.00 O ATOM 666 CB THR A 45 2.447 -7.386 -6.782 1.00 0.00 C ATOM 667 OG1 THR A 45 3.316 -7.264 -5.667 1.00 0.00 O ATOM 668 CG2 THR A 45 3.280 -7.687 -8.027 1.00 0.00 C ATOM 0 H THR A 45 2.450 -4.752 -5.705 1.00 0.00 H new ATOM 0 HA THR A 45 1.200 -6.172 -7.989 1.00 0.00 H new ATOM 0 HB THR A 45 1.759 -8.214 -6.612 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.864 -8.073 -5.589 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.891 -8.572 -7.850 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.617 -7.867 -8.873 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.926 -6.837 -8.246 1.00 0.00 H new ATOM 676 N TYR A 46 -0.726 -6.924 -6.275 1.00 0.00 N ATOM 677 CA TYR A 46 -1.920 -6.948 -5.417 1.00 0.00 C ATOM 678 C TYR A 46 -2.512 -8.348 -5.212 1.00 0.00 C ATOM 679 O TYR A 46 -2.446 -9.196 -6.105 1.00 0.00 O ATOM 680 CB TYR A 46 -2.961 -6.013 -6.056 1.00 0.00 C ATOM 681 CG TYR A 46 -4.299 -5.914 -5.345 1.00 0.00 C ATOM 682 CD1 TYR A 46 -4.367 -5.391 -4.040 1.00 0.00 C ATOM 683 CD2 TYR A 46 -5.483 -6.316 -5.997 1.00 0.00 C ATOM 684 CE1 TYR A 46 -5.607 -5.258 -3.394 1.00 0.00 C ATOM 685 CE2 TYR A 46 -6.729 -6.169 -5.359 1.00 0.00 C ATOM 686 CZ TYR A 46 -6.795 -5.624 -4.058 1.00 0.00 C ATOM 687 OH TYR A 46 -7.992 -5.407 -3.453 1.00 0.00 O ATOM 0 H TYR A 46 -0.782 -7.543 -7.084 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.631 -6.615 -4.420 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.531 -5.013 -6.118 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.140 -6.347 -7.078 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.462 -5.091 -3.533 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.434 -6.738 -6.990 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.650 -4.874 -2.385 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.634 -6.473 -5.864 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.684 -5.941 -3.896 1.00 0.00 H new ATOM 697 N ASP A 47 -3.056 -8.603 -4.019 1.00 0.00 N ATOM 698 CA ASP A 47 -3.714 -9.841 -3.601 1.00 0.00 C ATOM 699 C ASP A 47 -5.069 -9.426 -3.033 1.00 0.00 C ATOM 700 O ASP A 47 -5.160 -9.032 -1.866 1.00 0.00 O ATOM 701 CB ASP A 47 -2.900 -10.639 -2.566 1.00 0.00 C ATOM 702 CG ASP A 47 -2.144 -11.822 -3.169 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.327 -12.957 -2.676 1.00 0.00 O ATOM 704 OD2 ASP A 47 -1.300 -11.632 -4.076 1.00 0.00 O ATOM 0 H ASP A 47 -3.047 -7.906 -3.274 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.816 -10.514 -4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.188 -9.971 -2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.572 -11.005 -1.790 1.00 0.00 H new ATOM 709 N ASP A 48 -6.130 -9.496 -3.839 1.00 0.00 N ATOM 710 CA ASP A 48 -7.490 -9.126 -3.432 1.00 0.00 C ATOM 711 C ASP A 48 -8.031 -10.029 -2.320 1.00 0.00 C ATOM 712 O ASP A 48 -8.962 -9.658 -1.604 1.00 0.00 O ATOM 713 CB ASP A 48 -8.436 -9.161 -4.636 1.00 0.00 C ATOM 714 CG ASP A 48 -9.739 -8.434 -4.339 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.816 -9.077 -4.346 1.00 0.00 O ATOM 716 OD2 ASP A 48 -9.712 -7.196 -4.176 1.00 0.00 O ATOM 0 H ASP A 48 -6.070 -9.815 -4.806 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.438 -8.112 -3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.949 -8.702 -5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.648 -10.196 -4.904 1.00 0.00 H new ATOM 721 N ALA A 49 -7.412 -11.199 -2.125 1.00 0.00 N ATOM 722 CA ALA A 49 -7.788 -12.166 -1.105 1.00 0.00 C ATOM 723 C ALA A 49 -7.728 -11.570 0.303 1.00 0.00 C ATOM 724 O ALA A 49 -8.462 -12.015 1.186 1.00 0.00 O ATOM 725 CB ALA A 49 -6.882 -13.392 -1.209 1.00 0.00 C ATOM 0 H ALA A 49 -6.618 -11.500 -2.689 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.823 -12.459 -1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.162 -14.117 -0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.992 -13.843 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.845 -13.092 -1.061 1.00 0.00 H new ATOM 731 N THR A 50 -6.861 -10.585 0.519 1.00 0.00 N ATOM 732 CA THR A 50 -6.671 -9.874 1.782 1.00 0.00 C ATOM 733 C THR A 50 -6.764 -8.350 1.560 1.00 0.00 C ATOM 734 O THR A 50 -7.236 -7.641 2.448 1.00 0.00 O ATOM 735 CB THR A 50 -5.360 -10.375 2.426 1.00 0.00 C ATOM 736 OG1 THR A 50 -4.964 -9.583 3.527 1.00 0.00 O ATOM 737 CG2 THR A 50 -4.201 -10.455 1.418 1.00 0.00 C ATOM 0 H THR A 50 -6.242 -10.244 -0.216 1.00 0.00 H new ATOM 0 HA THR A 50 -7.467 -10.088 2.496 1.00 0.00 H new ATOM 0 HB THR A 50 -5.583 -11.381 2.780 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.218 -9.005 3.263 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.304 -10.813 1.923 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.464 -11.143 0.615 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.013 -9.466 1.001 1.00 0.00 H new ATOM 745 N LYS A 51 -6.531 -7.899 0.316 1.00 0.00 N ATOM 746 CA LYS A 51 -6.520 -6.586 -0.275 1.00 0.00 C ATOM 747 C LYS A 51 -5.157 -5.953 -0.010 1.00 0.00 C ATOM 748 O LYS A 51 -5.044 -4.736 0.099 1.00 0.00 O ATOM 749 CB LYS A 51 -7.811 -5.808 0.005 1.00 0.00 C ATOM 750 CG LYS A 51 -9.023 -6.553 -0.566 1.00 0.00 C ATOM 751 CD LYS A 51 -10.293 -5.702 -0.616 1.00 0.00 C ATOM 752 CE LYS A 51 -11.372 -6.597 -1.224 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.683 -5.941 -1.354 1.00 0.00 N ATOM 0 H LYS A 51 -6.310 -8.585 -0.406 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.582 -6.601 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.934 -5.671 1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.746 -4.814 -0.437 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.786 -6.898 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.213 -7.440 0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.579 -5.368 0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.141 -4.808 -1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.043 -6.929 -2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.482 -7.489 -0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.364 -6.606 -1.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.019 -5.647 -0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.594 -5.105 -1.967 1.00 0.00 H new ATOM 767 N THR A 52 -4.131 -6.802 0.107 1.00 0.00 N ATOM 768 CA THR A 52 -2.750 -6.458 0.346 1.00 0.00 C ATOM 769 C THR A 52 -2.096 -6.025 -0.961 1.00 0.00 C ATOM 770 O THR A 52 -2.145 -6.728 -1.973 1.00 0.00 O ATOM 771 CB THR A 52 -2.001 -7.644 0.979 1.00 0.00 C ATOM 772 OG1 THR A 52 -2.625 -7.958 2.202 1.00 0.00 O ATOM 773 CG2 THR A 52 -0.546 -7.323 1.310 1.00 0.00 C ATOM 0 H THR A 52 -4.266 -7.810 0.030 1.00 0.00 H new ATOM 0 HA THR A 52 -2.703 -5.626 1.048 1.00 0.00 H new ATOM 0 HB THR A 52 -2.026 -8.458 0.255 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.162 -8.714 2.621 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.072 -8.199 1.753 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.018 -7.047 0.397 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.508 -6.493 2.016 1.00 0.00 H new ATOM 781 N PHE A 53 -1.477 -4.855 -0.915 1.00 0.00 N ATOM 782 CA PHE A 53 -0.740 -4.211 -1.974 1.00 0.00 C ATOM 783 C PHE A 53 0.710 -4.350 -1.521 1.00 0.00 C ATOM 784 O PHE A 53 1.078 -3.749 -0.508 1.00 0.00 O ATOM 785 CB PHE A 53 -1.148 -2.732 -2.067 1.00 0.00 C ATOM 786 CG PHE A 53 -2.424 -2.451 -2.830 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.385 -2.301 -4.229 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.637 -2.268 -2.140 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.549 -1.952 -4.934 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.796 -1.903 -2.846 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.753 -1.742 -4.241 1.00 0.00 C ATOM 0 H PHE A 53 -1.482 -4.292 -0.064 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.917 -4.642 -2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.257 -2.340 -1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.335 -2.179 -2.538 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.458 -2.455 -4.762 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.677 -2.408 -1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.518 -1.845 -6.008 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.723 -1.746 -2.314 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.644 -1.457 -4.780 1.00 0.00 H new ATOM 801 N THR A 54 1.517 -5.157 -2.209 1.00 0.00 N ATOM 802 CA THR A 54 2.921 -5.350 -1.865 1.00 0.00 C ATOM 803 C THR A 54 3.791 -4.570 -2.853 1.00 0.00 C ATOM 804 O THR A 54 3.453 -4.490 -4.037 1.00 0.00 O ATOM 805 CB THR A 54 3.295 -6.845 -1.894 1.00 0.00 C ATOM 806 OG1 THR A 54 2.353 -7.652 -1.200 1.00 0.00 O ATOM 807 CG2 THR A 54 4.679 -7.076 -1.272 1.00 0.00 C ATOM 0 H THR A 54 1.213 -5.695 -3.021 1.00 0.00 H new ATOM 0 HA THR A 54 3.091 -4.982 -0.853 1.00 0.00 H new ATOM 0 HB THR A 54 3.299 -7.135 -2.945 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.630 -8.591 -1.246 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.920 -8.139 -1.304 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.428 -6.517 -1.833 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.674 -6.737 -0.236 1.00 0.00 H new ATOM 815 N VAL A 55 4.881 -3.977 -2.376 1.00 0.00 N ATOM 816 CA VAL A 55 5.846 -3.235 -3.176 1.00 0.00 C ATOM 817 C VAL A 55 7.133 -4.033 -3.114 1.00 0.00 C ATOM 818 O VAL A 55 7.495 -4.535 -2.045 1.00 0.00 O ATOM 819 CB VAL A 55 6.000 -1.779 -2.706 1.00 0.00 C ATOM 820 CG1 VAL A 55 7.406 -1.168 -2.861 1.00 0.00 C ATOM 821 CG2 VAL A 55 5.045 -0.929 -3.529 1.00 0.00 C ATOM 0 H VAL A 55 5.124 -4.002 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 55 5.515 -3.132 -4.209 1.00 0.00 H new ATOM 0 HB VAL A 55 5.792 -1.789 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.398 -0.140 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.122 -1.751 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.694 -1.180 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.128 0.113 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.298 -1.017 -4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.023 -1.274 -3.371 1.00 0.00 H new ATOM 831 N THR A 56 7.806 -4.138 -4.254 1.00 0.00 N ATOM 832 CA THR A 56 9.042 -4.866 -4.398 1.00 0.00 C ATOM 833 C THR A 56 10.088 -3.928 -5.016 1.00 0.00 C ATOM 834 O THR A 56 10.015 -3.611 -6.201 1.00 0.00 O ATOM 835 CB THR A 56 8.765 -6.131 -5.243 1.00 0.00 C ATOM 836 OG1 THR A 56 7.585 -6.808 -4.830 1.00 0.00 O ATOM 837 CG2 THR A 56 9.913 -7.129 -5.138 1.00 0.00 C ATOM 0 H THR A 56 7.491 -3.704 -5.122 1.00 0.00 H new ATOM 0 HA THR A 56 9.442 -5.202 -3.441 1.00 0.00 H new ATOM 0 HB THR A 56 8.650 -5.777 -6.268 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.448 -7.599 -5.392 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.688 -8.007 -5.743 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.832 -6.666 -5.498 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.041 -7.428 -4.098 1.00 0.00 H new ATOM 845 N GLU A 57 11.031 -3.436 -4.204 1.00 0.00 N ATOM 846 CA GLU A 57 12.106 -2.568 -4.694 1.00 0.00 C ATOM 847 C GLU A 57 13.004 -3.391 -5.613 1.00 0.00 C ATOM 848 O GLU A 57 13.540 -2.863 -6.610 1.00 0.00 O ATOM 849 CB GLU A 57 12.895 -2.005 -3.502 1.00 0.00 C ATOM 850 CG GLU A 57 14.069 -1.112 -3.940 1.00 0.00 C ATOM 851 CD GLU A 57 14.852 -0.513 -2.767 1.00 0.00 C ATOM 852 OE1 GLU A 57 14.255 -0.071 -1.759 1.00 0.00 O ATOM 853 OE2 GLU A 57 16.099 -0.454 -2.857 1.00 0.00 O ATOM 0 H GLU A 57 11.071 -3.625 -3.202 1.00 0.00 H new ATOM 0 HA GLU A 57 11.700 -1.725 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.223 -1.429 -2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.276 -2.830 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.749 -1.697 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.687 -0.303 -4.563 1.00 0.00 H new