USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 465 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 Single : A 1 THR N :NH3+ -132:sc= 1.67 (180deg=0.973) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 2 THR OG1 : rot -86:sc= 0.295 USER MOD Single : A 3 TYR OH : rot -30:sc= -1.64 USER MOD Single : A 4 LYS NZ :NH3+ -153:sc= -2.16! (180deg=-3.93!) USER MOD Single : A 8 ASN : amide:sc= -0.623 K(o=-0.62,f=-2.2!) USER MOD Single : A 10 LYS NZ :NH3+ -145:sc= -0.168 (180deg=-1.09) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -153:sc= -0.0954 (180deg=-0.461) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= 0.0315 (180deg=0.00651) USER MOD Single : A 25 THR OG1 : rot 74:sc= 0.622 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.069) USER MOD Single : A 37 LYS NZ :NH3+ 137:sc= -0.169 (180deg=-0.401) USER MOD Single : A 38 THR OG1 : rot -46:sc= -0.644! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= 1.24 (180deg=1.12) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 4.070 -13.026 4.420 1.00 0.00 N ATOM 2 CA THR A 1 4.772 -12.890 3.117 1.00 0.00 C ATOM 3 C THR A 1 5.098 -11.432 2.815 1.00 0.00 C ATOM 4 O THR A 1 4.876 -10.551 3.647 1.00 0.00 O ATOM 5 CB THR A 1 3.876 -13.469 2.019 1.00 0.00 C ATOM 6 OG1 THR A 1 2.509 -13.305 2.351 1.00 0.00 O ATOM 7 CG2 THR A 1 4.114 -14.941 1.767 1.00 0.00 C ATOM 0 H1 THR A 1 4.517 -13.781 4.978 1.00 0.00 H new ATOM 0 H2 THR A 1 4.129 -12.128 4.942 1.00 0.00 H new ATOM 0 H3 THR A 1 3.071 -13.264 4.253 1.00 0.00 H new ATOM 0 HA THR A 1 5.715 -13.434 3.160 1.00 0.00 H new ATOM 0 HB THR A 1 4.132 -12.917 1.115 1.00 0.00 H new ATOM 0 HG1 THR A 1 1.952 -13.679 1.637 1.00 0.00 H new ATOM 0 HG21 THR A 1 3.447 -15.288 0.978 1.00 0.00 H new ATOM 0 HG22 THR A 1 5.149 -15.095 1.461 1.00 0.00 H new ATOM 0 HG23 THR A 1 3.918 -15.503 2.680 1.00 0.00 H new ATOM 17 N THR A 2 5.626 -11.184 1.622 1.00 0.00 N ATOM 18 CA THR A 2 5.982 -9.830 1.210 1.00 0.00 C ATOM 19 C THR A 2 4.785 -9.115 0.597 1.00 0.00 C ATOM 20 O THR A 2 4.440 -9.342 -0.564 1.00 0.00 O ATOM 21 CB THR A 2 7.138 -9.867 0.209 1.00 0.00 C ATOM 22 OG1 THR A 2 8.003 -10.954 0.482 1.00 0.00 O ATOM 23 CG2 THR A 2 7.971 -8.603 0.211 1.00 0.00 C ATOM 0 H THR A 2 5.817 -11.902 0.923 1.00 0.00 H new ATOM 0 HA THR A 2 6.296 -9.278 2.096 1.00 0.00 H new ATOM 0 HB THR A 2 6.670 -9.972 -0.770 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.662 -10.686 1.156 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.773 -8.695 -0.521 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.341 -7.752 -0.046 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.399 -8.451 1.202 1.00 0.00 H new ATOM 31 N TYR A 3 4.153 -8.248 1.382 1.00 0.00 N ATOM 32 CA TYR A 3 2.993 -7.497 0.916 1.00 0.00 C ATOM 33 C TYR A 3 3.424 -6.295 0.082 1.00 0.00 C ATOM 34 O TYR A 3 4.490 -5.722 0.307 1.00 0.00 O ATOM 35 CB TYR A 3 2.147 -7.036 2.104 1.00 0.00 C ATOM 36 CG TYR A 3 1.665 -8.172 2.980 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.504 -8.756 3.919 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.369 -8.660 2.861 1.00 0.00 C ATOM 39 CE1 TYR A 3 2.066 -9.795 4.717 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.076 -9.700 3.657 1.00 0.00 C ATOM 41 CZ TYR A 3 0.776 -10.263 4.584 1.00 0.00 C ATOM 42 OH TYR A 3 0.337 -11.298 5.376 1.00 0.00 O ATOM 0 H TYR A 3 4.425 -8.048 2.345 1.00 0.00 H new ATOM 0 HA TYR A 3 2.392 -8.154 0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.732 -6.344 2.710 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.284 -6.483 1.732 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.515 -8.392 4.027 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.300 -8.221 2.136 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.732 -10.239 5.442 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.086 -10.069 3.553 1.00 0.00 H new ATOM 0 HH TYR A 3 1.092 -11.881 5.600 1.00 0.00 H new ATOM 52 N LYS A 4 2.591 -5.920 -0.883 1.00 0.00 N ATOM 53 CA LYS A 4 2.892 -4.789 -1.753 1.00 0.00 C ATOM 54 C LYS A 4 1.740 -3.795 -1.780 1.00 0.00 C ATOM 55 O LYS A 4 0.579 -4.162 -1.593 1.00 0.00 O ATOM 56 CB LYS A 4 3.199 -5.275 -3.171 1.00 0.00 C ATOM 57 CG LYS A 4 4.685 -5.372 -3.471 1.00 0.00 C ATOM 58 CD LYS A 4 4.948 -5.423 -4.968 1.00 0.00 C ATOM 59 CE LYS A 4 4.658 -4.086 -5.631 1.00 0.00 C ATOM 60 NZ LYS A 4 3.996 -4.253 -6.954 1.00 0.00 N ATOM 0 H LYS A 4 1.704 -6.382 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 4 3.770 -4.282 -1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.742 -6.254 -3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.736 -4.596 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.201 -4.515 -3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.096 -6.264 -2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.987 -5.701 -5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.328 -6.197 -5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.021 -3.489 -4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.590 -3.535 -5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.217 -3.436 -7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.341 -5.123 -7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.966 -4.317 -6.821 1.00 0.00 H new ATOM 74 N LEU A 5 2.074 -2.532 -2.008 1.00 0.00 N ATOM 75 CA LEU A 5 1.080 -1.475 -2.054 1.00 0.00 C ATOM 76 C LEU A 5 1.364 -0.506 -3.200 1.00 0.00 C ATOM 77 O LEU A 5 2.405 0.153 -3.225 1.00 0.00 O ATOM 78 CB LEU A 5 1.055 -0.731 -0.717 1.00 0.00 C ATOM 79 CG LEU A 5 0.415 0.662 -0.749 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.962 0.599 -1.393 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.320 1.240 0.653 1.00 0.00 C ATOM 0 H LEU A 5 3.031 -2.216 -2.164 1.00 0.00 H new ATOM 0 HA LEU A 5 0.103 -1.924 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.518 -1.342 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.079 -0.633 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 5 1.048 1.317 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.403 1.596 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.870 0.228 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.602 -0.072 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.137 2.229 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.290 0.586 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.319 1.321 1.082 1.00 0.00 H new ATOM 93 N ILE A 6 0.433 -0.424 -4.145 1.00 0.00 N ATOM 94 CA ILE A 6 0.582 0.464 -5.291 1.00 0.00 C ATOM 95 C ILE A 6 -0.193 1.762 -5.084 1.00 0.00 C ATOM 96 O ILE A 6 -1.421 1.759 -5.004 1.00 0.00 O ATOM 97 CB ILE A 6 0.111 -0.212 -6.593 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.810 -1.555 -6.776 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.370 0.692 -7.790 1.00 0.00 C ATOM 100 CD1 ILE A 6 2.303 -1.426 -6.944 1.00 0.00 C ATOM 0 H ILE A 6 -0.433 -0.963 -4.139 1.00 0.00 H new ATOM 0 HA ILE A 6 1.644 0.693 -5.380 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.963 -0.387 -6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.601 -2.187 -5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.394 -2.058 -7.649 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.031 0.197 -8.700 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.172 1.629 -7.663 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.438 0.898 -7.866 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.742 -2.416 -7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.519 -0.819 -7.823 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.729 -0.950 -6.061 1.00 0.00 H new ATOM 112 N LEU A 7 0.536 2.871 -4.995 1.00 0.00 N ATOM 113 CA LEU A 7 -0.078 4.179 -4.793 1.00 0.00 C ATOM 114 C LEU A 7 -0.056 4.996 -6.082 1.00 0.00 C ATOM 115 O LEU A 7 1.000 5.196 -6.682 1.00 0.00 O ATOM 116 CB LEU A 7 0.646 4.939 -3.681 1.00 0.00 C ATOM 117 CG LEU A 7 1.007 4.103 -2.452 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.175 4.727 -1.704 1.00 0.00 C ATOM 119 CD2 LEU A 7 -0.200 3.958 -1.536 1.00 0.00 C ATOM 0 H LEU A 7 1.554 2.889 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.117 4.024 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.561 5.367 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.018 5.772 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 7 1.308 3.110 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.417 4.118 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.042 4.779 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.904 5.732 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.073 3.361 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.530 4.944 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.009 3.465 -2.075 1.00 0.00 H new ATOM 131 N ASN A 8 -1.226 5.467 -6.496 1.00 0.00 N ATOM 132 CA ASN A 8 -1.343 6.265 -7.712 1.00 0.00 C ATOM 133 C ASN A 8 -1.872 7.661 -7.397 1.00 0.00 C ATOM 134 O ASN A 8 -2.998 7.816 -6.922 1.00 0.00 O ATOM 135 CB ASN A 8 -2.268 5.571 -8.715 1.00 0.00 C ATOM 136 CG ASN A 8 -2.081 6.079 -10.132 1.00 0.00 C ATOM 137 OD1 ASN A 8 -3.054 6.373 -10.827 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.832 6.187 -10.571 1.00 0.00 N ATOM 0 H ASN A 8 -2.108 5.311 -6.008 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.350 6.362 -8.151 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.083 4.497 -8.691 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.304 5.723 -8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.651 6.524 -11.516 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.054 5.933 -9.963 1.00 0.00 H new ATOM 145 N LEU A 9 -1.055 8.666 -7.658 1.00 0.00 N ATOM 146 CA LEU A 9 -1.438 10.056 -7.404 1.00 0.00 C ATOM 147 C LEU A 9 -1.550 10.837 -8.705 1.00 0.00 C ATOM 148 O LEU A 9 -1.307 10.304 -9.788 1.00 0.00 O ATOM 149 CB LEU A 9 -0.422 10.724 -6.476 1.00 0.00 C ATOM 150 CG LEU A 9 -0.058 9.914 -5.222 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.424 9.575 -5.218 1.00 0.00 C ATOM 152 CD2 LEU A 9 -0.433 10.681 -3.964 1.00 0.00 C ATOM 0 H LEU A 9 -0.119 8.552 -8.047 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.415 10.055 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.489 10.920 -7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.818 11.690 -6.164 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.624 8.983 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.664 9.001 -4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.665 8.985 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.008 10.495 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.168 10.092 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.105 11.628 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.506 10.873 -3.961 1.00 0.00 H new ATOM 164 N LYS A 10 -1.915 12.113 -8.593 1.00 0.00 N ATOM 165 CA LYS A 10 -2.058 12.972 -9.759 1.00 0.00 C ATOM 166 C LYS A 10 -0.769 13.745 -10.017 1.00 0.00 C ATOM 167 O LYS A 10 -0.792 14.957 -10.241 1.00 0.00 O ATOM 168 CB LYS A 10 -3.222 13.949 -9.566 1.00 0.00 C ATOM 169 CG LYS A 10 -4.546 13.255 -9.269 1.00 0.00 C ATOM 170 CD LYS A 10 -5.345 14.010 -8.215 1.00 0.00 C ATOM 171 CE LYS A 10 -6.719 14.409 -8.733 1.00 0.00 C ATOM 172 NZ LYS A 10 -6.638 15.095 -10.051 1.00 0.00 N ATOM 0 H LYS A 10 -2.116 12.572 -7.705 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.267 12.340 -10.622 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.985 14.630 -8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.331 14.556 -10.465 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.131 13.178 -10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.356 12.238 -8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.457 13.387 -7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.797 14.902 -7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.345 13.521 -8.824 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.202 15.067 -8.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.373 15.829 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.701 15.534 -10.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.784 14.402 -10.813 1.00 0.00 H new ATOM 186 N GLN A 11 0.356 13.042 -9.986 1.00 0.00 N ATOM 187 CA GLN A 11 1.656 13.659 -10.216 1.00 0.00 C ATOM 188 C GLN A 11 2.738 12.599 -10.401 1.00 0.00 C ATOM 189 O GLN A 11 3.601 12.719 -11.268 1.00 0.00 O ATOM 190 CB GLN A 11 2.020 14.586 -9.050 1.00 0.00 C ATOM 191 CG GLN A 11 2.083 16.054 -9.437 1.00 0.00 C ATOM 192 CD GLN A 11 3.448 16.672 -9.179 1.00 0.00 C ATOM 193 OE1 GLN A 11 3.724 17.151 -8.079 1.00 0.00 O ATOM 194 NE2 GLN A 11 4.306 16.650 -10.188 1.00 0.00 N ATOM 0 H GLN A 11 0.394 12.039 -9.803 1.00 0.00 H new ATOM 0 HA GLN A 11 1.594 14.248 -11.131 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.286 14.460 -8.254 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.986 14.284 -8.644 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.836 16.158 -10.494 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.328 16.606 -8.877 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.032 16.242 -11.082 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.241 17.041 -10.071 1.00 0.00 H new ATOM 203 N ALA A 12 2.680 11.551 -9.575 1.00 0.00 N ATOM 204 CA ALA A 12 3.653 10.471 -9.649 1.00 0.00 C ATOM 205 C ALA A 12 3.086 9.192 -9.050 1.00 0.00 C ATOM 206 O ALA A 12 1.894 9.109 -8.756 1.00 0.00 O ATOM 207 CB ALA A 12 4.941 10.861 -8.941 1.00 0.00 C ATOM 0 H ALA A 12 1.971 11.432 -8.852 1.00 0.00 H new ATOM 0 HA ALA A 12 3.877 10.288 -10.700 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.656 10.041 -9.007 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.362 11.748 -9.414 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.730 11.074 -7.893 1.00 0.00 H new ATOM 213 N LYS A 13 3.946 8.191 -8.869 1.00 0.00 N ATOM 214 CA LYS A 13 3.527 6.915 -8.306 1.00 0.00 C ATOM 215 C LYS A 13 4.525 6.430 -7.260 1.00 0.00 C ATOM 216 O LYS A 13 5.724 6.346 -7.524 1.00 0.00 O ATOM 217 CB LYS A 13 3.380 5.873 -9.414 1.00 0.00 C ATOM 218 CG LYS A 13 4.672 5.594 -10.165 1.00 0.00 C ATOM 219 CD LYS A 13 4.407 5.281 -11.630 1.00 0.00 C ATOM 220 CE LYS A 13 4.542 3.795 -11.915 1.00 0.00 C ATOM 221 NZ LYS A 13 5.937 3.315 -11.710 1.00 0.00 N ATOM 0 H LYS A 13 4.937 8.242 -9.105 1.00 0.00 H new ATOM 0 HA LYS A 13 2.562 7.056 -7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.014 4.943 -8.980 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.624 6.213 -10.122 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.332 6.458 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.191 4.755 -9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.405 5.615 -11.899 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.106 5.837 -12.254 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.867 3.238 -11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.236 3.593 -12.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.111 2.486 -12.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.605 4.072 -11.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.071 3.052 -10.713 1.00 0.00 H new ATOM 235 N GLU A 14 4.020 6.109 -6.074 1.00 0.00 N ATOM 236 CA GLU A 14 4.865 5.627 -4.987 1.00 0.00 C ATOM 237 C GLU A 14 4.583 4.157 -4.694 1.00 0.00 C ATOM 238 O GLU A 14 3.427 3.734 -4.653 1.00 0.00 O ATOM 239 CB GLU A 14 4.642 6.469 -3.728 1.00 0.00 C ATOM 240 CG GLU A 14 5.755 7.472 -3.465 1.00 0.00 C ATOM 241 CD GLU A 14 5.372 8.885 -3.858 1.00 0.00 C ATOM 242 OE1 GLU A 14 4.367 9.393 -3.319 1.00 0.00 O ATOM 243 OE2 GLU A 14 6.073 9.474 -4.705 1.00 0.00 O ATOM 0 H GLU A 14 3.029 6.174 -5.841 1.00 0.00 H new ATOM 0 HA GLU A 14 5.906 5.722 -5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.696 7.003 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.551 5.806 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.015 7.451 -2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.646 7.174 -4.018 1.00 0.00 H new ATOM 250 N GLU A 15 5.643 3.381 -4.494 1.00 0.00 N ATOM 251 CA GLU A 15 5.502 1.957 -4.208 1.00 0.00 C ATOM 252 C GLU A 15 5.863 1.645 -2.761 1.00 0.00 C ATOM 253 O GLU A 15 6.992 1.877 -2.326 1.00 0.00 O ATOM 254 CB GLU A 15 6.386 1.136 -5.148 1.00 0.00 C ATOM 255 CG GLU A 15 5.871 1.085 -6.578 1.00 0.00 C ATOM 256 CD GLU A 15 6.332 -0.154 -7.319 1.00 0.00 C ATOM 257 OE1 GLU A 15 7.557 -0.385 -7.387 1.00 0.00 O ATOM 258 OE2 GLU A 15 5.466 -0.893 -7.833 1.00 0.00 O ATOM 0 H GLU A 15 6.607 3.713 -4.524 1.00 0.00 H new ATOM 0 HA GLU A 15 4.458 1.689 -4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.392 1.557 -5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.466 0.119 -4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.781 1.114 -6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.209 1.972 -7.114 1.00 0.00 H new ATOM 265 N ALA A 16 4.899 1.105 -2.024 1.00 0.00 N ATOM 266 CA ALA A 16 5.114 0.743 -0.629 1.00 0.00 C ATOM 267 C ALA A 16 5.140 -0.772 -0.474 1.00 0.00 C ATOM 268 O ALA A 16 4.272 -1.472 -0.995 1.00 0.00 O ATOM 269 CB ALA A 16 4.035 1.352 0.252 1.00 0.00 C ATOM 0 H ALA A 16 3.960 0.908 -2.370 1.00 0.00 H new ATOM 0 HA ALA A 16 6.078 1.140 -0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.212 1.071 1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.060 2.438 0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.058 0.984 -0.062 1.00 0.00 H new ATOM 275 N ILE A 17 6.143 -1.276 0.235 1.00 0.00 N ATOM 276 CA ILE A 17 6.276 -2.713 0.438 1.00 0.00 C ATOM 277 C ILE A 17 6.799 -3.038 1.832 1.00 0.00 C ATOM 278 O ILE A 17 7.367 -2.182 2.511 1.00 0.00 O ATOM 279 CB ILE A 17 7.206 -3.343 -0.622 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.664 -2.944 -0.373 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.771 -2.924 -2.019 1.00 0.00 C ATOM 282 CD1 ILE A 17 8.907 -1.451 -0.444 1.00 0.00 C ATOM 0 H ILE A 17 6.872 -0.715 0.676 1.00 0.00 H new ATOM 0 HA ILE A 17 5.278 -3.139 0.334 1.00 0.00 H new ATOM 0 HB ILE A 17 7.133 -4.428 -0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.968 -3.306 0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.298 -3.442 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.434 -3.375 -2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.749 -3.258 -2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.817 -1.838 -2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.961 -1.245 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.635 -1.085 -1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.300 -0.947 0.308 1.00 0.00 H new ATOM 294 N LYS A 18 6.591 -4.280 2.253 1.00 0.00 N ATOM 295 CA LYS A 18 7.031 -4.726 3.568 1.00 0.00 C ATOM 296 C LYS A 18 6.918 -6.245 3.687 1.00 0.00 C ATOM 297 O LYS A 18 6.043 -6.862 3.081 1.00 0.00 O ATOM 298 CB LYS A 18 6.194 -4.037 4.650 1.00 0.00 C ATOM 299 CG LYS A 18 6.253 -4.716 6.011 1.00 0.00 C ATOM 300 CD LYS A 18 6.197 -3.703 7.143 1.00 0.00 C ATOM 301 CE LYS A 18 6.997 -4.173 8.349 1.00 0.00 C ATOM 302 NZ LYS A 18 8.355 -3.565 8.385 1.00 0.00 N ATOM 0 H LYS A 18 6.120 -4.997 1.701 1.00 0.00 H new ATOM 0 HA LYS A 18 8.078 -4.456 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.534 -3.007 4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.156 -3.998 4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.422 -5.415 6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.171 -5.299 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.587 -2.746 6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.160 -3.538 7.434 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.460 -3.917 9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.086 -5.259 8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.757 -3.670 9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.969 -4.045 7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.290 -2.555 8.146 1.00 0.00 H new ATOM 316 N GLU A 19 7.809 -6.841 4.472 1.00 0.00 N ATOM 317 CA GLU A 19 7.807 -8.286 4.672 1.00 0.00 C ATOM 318 C GLU A 19 7.399 -8.639 6.099 1.00 0.00 C ATOM 319 O GLU A 19 8.128 -8.361 7.049 1.00 0.00 O ATOM 320 CB GLU A 19 9.183 -8.865 4.365 1.00 0.00 C ATOM 321 CG GLU A 19 9.799 -8.335 3.080 1.00 0.00 C ATOM 322 CD GLU A 19 10.620 -9.378 2.353 1.00 0.00 C ATOM 323 OE1 GLU A 19 10.300 -10.579 2.469 1.00 0.00 O ATOM 324 OE2 GLU A 19 11.597 -8.995 1.671 1.00 0.00 O ATOM 0 H GLU A 19 8.542 -6.346 4.980 1.00 0.00 H new ATOM 0 HA GLU A 19 7.078 -8.720 3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.853 -8.645 5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.104 -9.950 4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.007 -7.979 2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.431 -7.477 3.311 1.00 0.00 H new ATOM 331 N ALA A 20 6.228 -9.249 6.241 1.00 0.00 N ATOM 332 CA ALA A 20 5.723 -9.638 7.552 1.00 0.00 C ATOM 333 C ALA A 20 5.069 -11.016 7.504 1.00 0.00 C ATOM 334 O ALA A 20 4.518 -11.418 6.479 1.00 0.00 O ATOM 335 CB ALA A 20 4.735 -8.601 8.065 1.00 0.00 C ATOM 0 H ALA A 20 5.610 -9.485 5.464 1.00 0.00 H new ATOM 0 HA ALA A 20 6.568 -9.691 8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.366 -8.904 9.045 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.232 -7.634 8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.898 -8.521 7.371 1.00 0.00 H new ATOM 341 N VAL A 21 5.135 -11.735 8.620 1.00 0.00 N ATOM 342 CA VAL A 21 4.552 -13.069 8.706 1.00 0.00 C ATOM 343 C VAL A 21 3.049 -13.034 8.439 1.00 0.00 C ATOM 344 O VAL A 21 2.527 -13.848 7.677 1.00 0.00 O ATOM 345 CB VAL A 21 4.802 -13.705 10.087 1.00 0.00 C ATOM 346 CG1 VAL A 21 6.286 -13.966 10.294 1.00 0.00 C ATOM 347 CG2 VAL A 21 4.251 -12.817 11.193 1.00 0.00 C ATOM 0 H VAL A 21 5.586 -11.416 9.477 1.00 0.00 H new ATOM 0 HA VAL A 21 5.039 -13.675 7.942 1.00 0.00 H new ATOM 0 HB VAL A 21 4.279 -14.661 10.126 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.443 -14.415 11.275 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.647 -14.645 9.522 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.833 -13.025 10.234 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.437 -13.283 12.161 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.743 -11.845 11.158 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.178 -12.686 11.054 1.00 0.00 H new ATOM 357 N ASP A 22 2.357 -12.091 9.072 1.00 0.00 N ATOM 358 CA ASP A 22 0.915 -11.956 8.899 1.00 0.00 C ATOM 359 C ASP A 22 0.584 -10.736 8.043 1.00 0.00 C ATOM 360 O ASP A 22 1.466 -10.154 7.412 1.00 0.00 O ATOM 361 CB ASP A 22 0.227 -11.848 10.263 1.00 0.00 C ATOM 362 CG ASP A 22 0.619 -10.588 11.012 1.00 0.00 C ATOM 363 OD1 ASP A 22 0.382 -9.483 10.480 1.00 0.00 O ATOM 364 OD2 ASP A 22 1.165 -10.708 12.129 1.00 0.00 O ATOM 0 H ASP A 22 2.771 -11.410 9.708 1.00 0.00 H new ATOM 0 HA ASP A 22 0.546 -12.844 8.386 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.854 -11.863 10.124 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.483 -12.720 10.866 1.00 0.00 H new ATOM 369 N ALA A 23 -0.690 -10.352 8.021 1.00 0.00 N ATOM 370 CA ALA A 23 -1.124 -9.201 7.238 1.00 0.00 C ATOM 371 C ALA A 23 -1.350 -7.984 8.127 1.00 0.00 C ATOM 372 O ALA A 23 -1.116 -6.849 7.712 1.00 0.00 O ATOM 373 CB ALA A 23 -2.391 -9.532 6.466 1.00 0.00 C ATOM 0 H ALA A 23 -1.437 -10.820 8.535 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.332 -8.960 6.529 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.702 -8.663 5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.199 -10.367 5.792 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.182 -9.804 7.165 1.00 0.00 H new ATOM 379 N GLY A 24 -1.803 -8.225 9.356 1.00 0.00 N ATOM 380 CA GLY A 24 -2.048 -7.134 10.283 1.00 0.00 C ATOM 381 C GLY A 24 -0.878 -6.172 10.359 1.00 0.00 C ATOM 382 O GLY A 24 -1.058 -4.975 10.583 1.00 0.00 O ATOM 0 H GLY A 24 -2.004 -9.155 9.725 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.942 -6.592 9.975 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.247 -7.540 11.275 1.00 0.00 H new ATOM 386 N THR A 25 0.324 -6.703 10.161 1.00 0.00 N ATOM 387 CA THR A 25 1.533 -5.892 10.196 1.00 0.00 C ATOM 388 C THR A 25 1.722 -5.156 8.874 1.00 0.00 C ATOM 389 O THR A 25 2.292 -4.066 8.835 1.00 0.00 O ATOM 390 CB THR A 25 2.753 -6.767 10.485 1.00 0.00 C ATOM 391 OG1 THR A 25 2.424 -7.801 11.396 1.00 0.00 O ATOM 392 CG2 THR A 25 3.920 -5.996 11.066 1.00 0.00 C ATOM 0 H THR A 25 0.486 -7.693 9.975 1.00 0.00 H new ATOM 0 HA THR A 25 1.429 -5.157 10.994 1.00 0.00 H new ATOM 0 HB THR A 25 3.053 -7.173 9.519 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.886 -8.481 10.939 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.752 -6.677 11.247 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.231 -5.222 10.364 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.619 -5.533 12.006 1.00 0.00 H new ATOM 400 N ALA A 26 1.230 -5.759 7.794 1.00 0.00 N ATOM 401 CA ALA A 26 1.339 -5.156 6.473 1.00 0.00 C ATOM 402 C ALA A 26 0.320 -4.034 6.311 1.00 0.00 C ATOM 403 O ALA A 26 0.632 -2.972 5.774 1.00 0.00 O ATOM 404 CB ALA A 26 1.149 -6.208 5.393 1.00 0.00 C ATOM 0 H ALA A 26 0.754 -6.661 7.810 1.00 0.00 H new ATOM 0 HA ALA A 26 2.337 -4.730 6.369 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.233 -5.741 4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.914 -6.977 5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.163 -6.661 5.496 1.00 0.00 H new ATOM 410 N GLU A 27 -0.896 -4.276 6.786 1.00 0.00 N ATOM 411 CA GLU A 27 -1.962 -3.284 6.702 1.00 0.00 C ATOM 412 C GLU A 27 -1.617 -2.060 7.545 1.00 0.00 C ATOM 413 O GLU A 27 -1.542 -0.943 7.034 1.00 0.00 O ATOM 414 CB GLU A 27 -3.289 -3.884 7.170 1.00 0.00 C ATOM 415 CG GLU A 27 -4.454 -2.910 7.108 1.00 0.00 C ATOM 416 CD GLU A 27 -5.464 -3.274 6.036 1.00 0.00 C ATOM 417 OE1 GLU A 27 -5.251 -2.892 4.865 1.00 0.00 O ATOM 418 OE2 GLU A 27 -6.466 -3.942 6.367 1.00 0.00 O ATOM 0 H GLU A 27 -1.169 -5.151 7.234 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.064 -2.977 5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.521 -4.754 6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.177 -4.238 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.952 -2.884 8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.074 -1.906 6.918 1.00 0.00 H new ATOM 425 N LYS A 28 -1.403 -2.283 8.839 1.00 0.00 N ATOM 426 CA LYS A 28 -1.060 -1.198 9.754 1.00 0.00 C ATOM 427 C LYS A 28 0.175 -0.443 9.269 1.00 0.00 C ATOM 428 O LYS A 28 0.231 0.785 9.339 1.00 0.00 O ATOM 429 CB LYS A 28 -0.818 -1.748 11.162 1.00 0.00 C ATOM 430 CG LYS A 28 -1.973 -1.499 12.120 1.00 0.00 C ATOM 431 CD LYS A 28 -1.683 -0.333 13.050 1.00 0.00 C ATOM 432 CE LYS A 28 -2.613 -0.334 14.254 1.00 0.00 C ATOM 433 NZ LYS A 28 -1.885 -0.042 15.519 1.00 0.00 N ATOM 0 H LYS A 28 -1.461 -3.202 9.277 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.898 -0.502 9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.635 -2.821 11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.085 -1.295 11.570 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.881 -1.296 11.552 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.159 -2.397 12.708 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.648 -0.385 13.388 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.793 0.604 12.505 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.397 0.408 14.107 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.103 -1.304 14.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.554 -0.052 16.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.153 -0.765 15.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.438 0.895 15.454 1.00 0.00 H new ATOM 447 N TYR A 29 1.163 -1.184 8.772 1.00 0.00 N ATOM 448 CA TYR A 29 2.392 -0.573 8.272 1.00 0.00 C ATOM 449 C TYR A 29 2.117 0.187 6.977 1.00 0.00 C ATOM 450 O TYR A 29 2.563 1.321 6.806 1.00 0.00 O ATOM 451 CB TYR A 29 3.473 -1.640 8.043 1.00 0.00 C ATOM 452 CG TYR A 29 4.726 -1.104 7.383 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.781 -0.906 6.009 1.00 0.00 C ATOM 454 CD2 TYR A 29 5.853 -0.800 8.135 1.00 0.00 C ATOM 455 CE1 TYR A 29 5.923 -0.418 5.403 1.00 0.00 C ATOM 456 CE2 TYR A 29 6.999 -0.311 7.536 1.00 0.00 C ATOM 457 CZ TYR A 29 7.029 -0.122 6.171 1.00 0.00 C ATOM 458 OH TYR A 29 8.170 0.364 5.573 1.00 0.00 O ATOM 0 H TYR A 29 1.137 -2.201 8.705 1.00 0.00 H new ATOM 0 HA TYR A 29 2.755 0.130 9.021 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.740 -2.086 9.001 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.060 -2.437 7.425 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.917 -1.137 5.404 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.834 -0.948 9.205 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.949 -0.269 4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.867 -0.078 8.135 1.00 0.00 H new ATOM 0 HH TYR A 29 8.855 0.522 6.256 1.00 0.00 H new ATOM 468 N PHE A 30 1.367 -0.440 6.074 1.00 0.00 N ATOM 469 CA PHE A 30 1.024 0.189 4.805 1.00 0.00 C ATOM 470 C PHE A 30 0.199 1.448 5.054 1.00 0.00 C ATOM 471 O PHE A 30 0.430 2.488 4.441 1.00 0.00 O ATOM 472 CB PHE A 30 0.241 -0.785 3.911 1.00 0.00 C ATOM 473 CG PHE A 30 1.096 -1.654 3.021 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.484 -1.581 3.051 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.499 -2.549 2.146 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.253 -2.384 2.226 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.266 -3.353 1.321 1.00 0.00 C ATOM 478 CZ PHE A 30 2.643 -3.270 1.362 1.00 0.00 C ATOM 0 H PHE A 30 0.988 -1.379 6.198 1.00 0.00 H new ATOM 0 HA PHE A 30 1.947 0.461 4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.369 -1.428 4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.444 -0.212 3.286 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.968 -0.890 3.725 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.578 -2.619 2.108 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.330 -2.317 2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.787 -4.046 0.645 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.242 -3.898 0.719 1.00 0.00 H new ATOM 488 N LYS A 31 -0.763 1.341 5.966 1.00 0.00 N ATOM 489 CA LYS A 31 -1.619 2.470 6.307 1.00 0.00 C ATOM 490 C LYS A 31 -0.798 3.662 6.805 1.00 0.00 C ATOM 491 O LYS A 31 -1.186 4.813 6.616 1.00 0.00 O ATOM 492 CB LYS A 31 -2.636 2.056 7.373 1.00 0.00 C ATOM 493 CG LYS A 31 -3.889 2.919 7.390 1.00 0.00 C ATOM 494 CD LYS A 31 -4.181 3.457 8.781 1.00 0.00 C ATOM 495 CE LYS A 31 -5.270 2.652 9.473 1.00 0.00 C ATOM 496 NZ LYS A 31 -5.020 2.522 10.936 1.00 0.00 N ATOM 0 H LYS A 31 -0.968 0.485 6.481 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.146 2.776 5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.923 1.018 7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.161 2.101 8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.768 3.751 6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.739 2.333 7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.271 3.431 9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.487 4.501 8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.235 3.132 9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.328 1.660 9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.784 1.967 11.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.111 2.041 11.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.990 3.467 11.368 1.00 0.00 H new ATOM 510 N LEU A 32 0.336 3.380 7.447 1.00 0.00 N ATOM 511 CA LEU A 32 1.199 4.430 7.974 1.00 0.00 C ATOM 512 C LEU A 32 1.973 5.131 6.858 1.00 0.00 C ATOM 513 O LEU A 32 2.160 6.348 6.892 1.00 0.00 O ATOM 514 CB LEU A 32 2.171 3.843 9.000 1.00 0.00 C ATOM 515 CG LEU A 32 1.539 3.320 10.302 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.166 4.009 11.500 1.00 0.00 C ATOM 517 CD2 LEU A 32 0.027 3.518 10.314 1.00 0.00 C ATOM 0 H LEU A 32 0.676 2.433 7.613 1.00 0.00 H new ATOM 0 HA LEU A 32 0.566 5.173 8.459 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.716 3.025 8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.904 4.608 9.256 1.00 0.00 H new ATOM 0 HG LEU A 32 1.733 2.249 10.359 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.711 3.631 12.416 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.237 3.807 11.516 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.001 5.084 11.429 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.383 3.136 11.249 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.202 4.580 10.224 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.417 2.979 9.477 1.00 0.00 H new ATOM 529 N ILE A 33 2.417 4.362 5.865 1.00 0.00 N ATOM 530 CA ILE A 33 3.166 4.924 4.749 1.00 0.00 C ATOM 531 C ILE A 33 2.231 5.586 3.744 1.00 0.00 C ATOM 532 O ILE A 33 2.540 6.644 3.195 1.00 0.00 O ATOM 533 CB ILE A 33 4.011 3.848 4.033 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.860 4.482 2.929 1.00 0.00 C ATOM 535 CG2 ILE A 33 3.117 2.759 3.462 1.00 0.00 C ATOM 536 CD1 ILE A 33 5.953 5.388 3.452 1.00 0.00 C ATOM 0 H ILE A 33 2.271 3.354 5.813 1.00 0.00 H new ATOM 0 HA ILE A 33 3.839 5.675 5.163 1.00 0.00 H new ATOM 0 HB ILE A 33 4.680 3.393 4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.311 3.691 2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.211 5.054 2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.730 2.010 2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.556 2.288 4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.422 3.197 2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.514 5.802 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.508 6.200 4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.625 4.816 4.091 1.00 0.00 H new ATOM 548 N ALA A 34 1.083 4.960 3.510 1.00 0.00 N ATOM 549 CA ALA A 34 0.102 5.495 2.575 1.00 0.00 C ATOM 550 C ALA A 34 -0.375 6.870 3.025 1.00 0.00 C ATOM 551 O ALA A 34 -0.236 7.854 2.300 1.00 0.00 O ATOM 552 CB ALA A 34 -1.075 4.541 2.438 1.00 0.00 C ATOM 0 H ALA A 34 0.810 4.083 3.954 1.00 0.00 H new ATOM 0 HA ALA A 34 0.578 5.601 1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.799 4.955 1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.722 3.578 2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.549 4.406 3.410 1.00 0.00 H new ATOM 558 N ASN A 35 -0.935 6.930 4.229 1.00 0.00 N ATOM 559 CA ASN A 35 -1.432 8.188 4.779 1.00 0.00 C ATOM 560 C ASN A 35 -0.320 9.235 4.848 1.00 0.00 C ATOM 561 O ASN A 35 -0.558 10.419 4.608 1.00 0.00 O ATOM 562 CB ASN A 35 -2.023 7.959 6.172 1.00 0.00 C ATOM 563 CG ASN A 35 -3.542 8.002 6.175 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.156 8.485 7.128 1.00 0.00 O ATOM 565 ND2 ASN A 35 -4.159 7.498 5.111 1.00 0.00 N ATOM 0 H ASN A 35 -1.056 6.124 4.842 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.213 8.562 4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.690 6.993 6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.640 8.718 6.855 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.178 7.502 5.063 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.614 7.107 4.343 1.00 0.00 H new ATOM 572 N ALA A 36 0.891 8.795 5.180 1.00 0.00 N ATOM 573 CA ALA A 36 2.030 9.700 5.283 1.00 0.00 C ATOM 574 C ALA A 36 2.539 10.125 3.907 1.00 0.00 C ATOM 575 O ALA A 36 3.233 11.135 3.780 1.00 0.00 O ATOM 576 CB ALA A 36 3.149 9.048 6.080 1.00 0.00 C ATOM 0 H ALA A 36 1.108 7.819 5.382 1.00 0.00 H new ATOM 0 HA ALA A 36 1.695 10.597 5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.993 9.734 6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.791 8.810 7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.466 8.132 5.581 1.00 0.00 H new ATOM 582 N LYS A 37 2.197 9.352 2.879 1.00 0.00 N ATOM 583 CA LYS A 37 2.633 9.659 1.519 1.00 0.00 C ATOM 584 C LYS A 37 1.446 9.948 0.601 1.00 0.00 C ATOM 585 O LYS A 37 1.606 10.041 -0.617 1.00 0.00 O ATOM 586 CB LYS A 37 3.452 8.498 0.952 1.00 0.00 C ATOM 587 CG LYS A 37 4.608 8.072 1.844 1.00 0.00 C ATOM 588 CD LYS A 37 5.943 8.182 1.125 1.00 0.00 C ATOM 589 CE LYS A 37 6.231 9.614 0.703 1.00 0.00 C ATOM 590 NZ LYS A 37 6.147 10.558 1.851 1.00 0.00 N ATOM 0 H LYS A 37 1.623 8.513 2.961 1.00 0.00 H new ATOM 0 HA LYS A 37 3.253 10.554 1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.794 7.644 0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.844 8.784 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.625 8.693 2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.455 7.044 2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.740 7.827 1.778 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.939 7.536 0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.225 9.669 0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.521 9.915 -0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.940 11.229 1.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.249 11.080 1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.194 10.025 2.743 1.00 0.00 H new ATOM 604 N THR A 38 0.257 10.086 1.181 1.00 0.00 N ATOM 605 CA THR A 38 -0.944 10.361 0.401 1.00 0.00 C ATOM 606 C THR A 38 -2.090 10.814 1.301 1.00 0.00 C ATOM 607 O THR A 38 -1.977 10.789 2.527 1.00 0.00 O ATOM 608 CB THR A 38 -1.369 9.119 -0.387 1.00 0.00 C ATOM 609 OG1 THR A 38 -0.241 8.341 -0.748 1.00 0.00 O ATOM 610 CG2 THR A 38 -2.126 9.443 -1.656 1.00 0.00 C ATOM 0 H THR A 38 0.100 10.012 2.186 1.00 0.00 H new ATOM 0 HA THR A 38 -0.710 11.165 -0.297 1.00 0.00 H new ATOM 0 HB THR A 38 -2.031 8.569 0.282 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.459 8.926 -1.105 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.396 8.518 -2.165 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.030 9.999 -1.408 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.497 10.046 -2.311 1.00 0.00 H new ATOM 618 N VAL A 39 -3.193 11.224 0.683 1.00 0.00 N ATOM 619 CA VAL A 39 -4.362 11.679 1.425 1.00 0.00 C ATOM 620 C VAL A 39 -5.638 11.494 0.609 1.00 0.00 C ATOM 621 O VAL A 39 -6.626 12.198 0.818 1.00 0.00 O ATOM 622 CB VAL A 39 -4.233 13.158 1.826 1.00 0.00 C ATOM 623 CG1 VAL A 39 -3.141 13.334 2.872 1.00 0.00 C ATOM 624 CG2 VAL A 39 -3.957 14.021 0.601 1.00 0.00 C ATOM 0 H VAL A 39 -3.301 11.250 -0.331 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.419 11.070 2.327 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.177 13.482 2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.064 14.387 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.387 12.748 3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.189 12.994 2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.869 15.064 0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.027 13.699 0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.777 13.917 -0.109 1.00 0.00 H new ATOM 634 N GLU A 40 -5.611 10.542 -0.321 1.00 0.00 N ATOM 635 CA GLU A 40 -6.767 10.267 -1.169 1.00 0.00 C ATOM 636 C GLU A 40 -6.465 9.139 -2.150 1.00 0.00 C ATOM 637 O GLU A 40 -5.415 9.126 -2.792 1.00 0.00 O ATOM 638 CB GLU A 40 -7.177 11.525 -1.937 1.00 0.00 C ATOM 639 CG GLU A 40 -8.684 11.695 -2.052 1.00 0.00 C ATOM 640 CD GLU A 40 -9.237 12.680 -1.037 1.00 0.00 C ATOM 641 OE1 GLU A 40 -9.154 12.384 0.174 1.00 0.00 O ATOM 642 OE2 GLU A 40 -9.753 13.732 -1.448 1.00 0.00 O ATOM 0 H GLU A 40 -4.802 9.949 -0.506 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.590 9.958 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.757 12.399 -1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.745 11.489 -2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.932 12.036 -3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.167 10.728 -1.915 1.00 0.00 H new ATOM 649 N GLY A 41 -7.392 8.194 -2.263 1.00 0.00 N ATOM 650 CA GLY A 41 -7.204 7.075 -3.171 1.00 0.00 C ATOM 651 C GLY A 41 -8.240 5.989 -2.975 1.00 0.00 C ATOM 652 O GLY A 41 -9.021 6.029 -2.024 1.00 0.00 O ATOM 0 H GLY A 41 -8.270 8.182 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.249 7.434 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.209 6.655 -3.023 1.00 0.00 H new ATOM 656 N VAL A 42 -8.241 5.007 -3.872 1.00 0.00 N ATOM 657 CA VAL A 42 -9.181 3.899 -3.788 1.00 0.00 C ATOM 658 C VAL A 42 -8.459 2.623 -3.383 1.00 0.00 C ATOM 659 O VAL A 42 -7.673 2.062 -4.148 1.00 0.00 O ATOM 660 CB VAL A 42 -9.934 3.676 -5.112 1.00 0.00 C ATOM 661 CG1 VAL A 42 -8.970 3.299 -6.217 1.00 0.00 C ATOM 662 CG2 VAL A 42 -11.010 2.613 -4.945 1.00 0.00 C ATOM 0 H VAL A 42 -7.601 4.958 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.918 4.159 -3.028 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.421 4.610 -5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.522 3.146 -7.144 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.244 4.100 -6.355 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.450 2.380 -5.948 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.531 2.470 -5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.549 1.674 -4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -11.722 2.932 -4.184 1.00 0.00 H new ATOM 672 N TRP A 43 -8.724 2.194 -2.161 1.00 0.00 N ATOM 673 CA TRP A 43 -8.121 1.014 -1.595 1.00 0.00 C ATOM 674 C TRP A 43 -8.589 -0.252 -2.311 1.00 0.00 C ATOM 675 O TRP A 43 -9.788 -0.496 -2.445 1.00 0.00 O ATOM 676 CB TRP A 43 -8.499 0.959 -0.120 1.00 0.00 C ATOM 677 CG TRP A 43 -7.510 1.649 0.782 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.398 2.998 0.975 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.496 1.043 1.610 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.392 3.270 1.864 1.00 0.00 N ATOM 681 CE2 TRP A 43 -5.823 2.093 2.267 1.00 0.00 C ATOM 682 CE3 TRP A 43 -6.091 -0.279 1.863 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -4.776 1.874 3.156 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -5.030 -0.493 2.761 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.396 0.584 3.389 1.00 0.00 C ATOM 0 H TRP A 43 -9.373 2.666 -1.531 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.039 1.065 -1.714 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.479 1.416 0.012 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.590 -0.084 0.185 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.015 3.743 0.495 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.112 4.200 2.175 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.583 -1.110 1.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.280 2.698 3.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.701 -1.501 2.968 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.585 0.390 4.076 1.00 0.00 H new ATOM 696 N THR A 44 -7.631 -1.053 -2.757 1.00 0.00 N ATOM 697 CA THR A 44 -7.932 -2.299 -3.451 1.00 0.00 C ATOM 698 C THR A 44 -6.874 -3.345 -3.124 1.00 0.00 C ATOM 699 O THR A 44 -5.775 -3.005 -2.693 1.00 0.00 O ATOM 700 CB THR A 44 -7.994 -2.068 -4.961 1.00 0.00 C ATOM 701 OG1 THR A 44 -7.209 -0.950 -5.331 1.00 0.00 O ATOM 702 CG2 THR A 44 -9.399 -1.833 -5.474 1.00 0.00 C ATOM 0 H THR A 44 -6.635 -0.862 -2.650 1.00 0.00 H new ATOM 0 HA THR A 44 -8.904 -2.660 -3.115 1.00 0.00 H new ATOM 0 HB THR A 44 -7.610 -2.985 -5.408 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.261 -0.820 -6.301 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.371 -1.676 -6.552 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.018 -2.701 -5.249 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.820 -0.952 -4.990 1.00 0.00 H new ATOM 710 N TYR A 45 -7.204 -4.617 -3.326 1.00 0.00 N ATOM 711 CA TYR A 45 -6.257 -5.692 -3.044 1.00 0.00 C ATOM 712 C TYR A 45 -6.379 -6.820 -4.068 1.00 0.00 C ATOM 713 O TYR A 45 -7.462 -7.093 -4.585 1.00 0.00 O ATOM 714 CB TYR A 45 -6.443 -6.221 -1.608 1.00 0.00 C ATOM 715 CG TYR A 45 -6.266 -7.717 -1.455 1.00 0.00 C ATOM 716 CD1 TYR A 45 -7.258 -8.602 -1.859 1.00 0.00 C ATOM 717 CD2 TYR A 45 -5.104 -8.244 -0.903 1.00 0.00 C ATOM 718 CE1 TYR A 45 -7.099 -9.967 -1.719 1.00 0.00 C ATOM 719 CE2 TYR A 45 -4.937 -9.608 -0.758 1.00 0.00 C ATOM 720 CZ TYR A 45 -5.936 -10.465 -1.168 1.00 0.00 C ATOM 721 OH TYR A 45 -5.775 -11.824 -1.025 1.00 0.00 O ATOM 0 H TYR A 45 -8.109 -4.927 -3.680 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.250 -5.283 -3.125 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.731 -5.716 -0.955 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.441 -5.950 -1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.170 -8.216 -2.290 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.318 -7.576 -0.582 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.880 -10.641 -2.039 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.029 -10.001 -0.326 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.901 -12.009 -0.622 1.00 0.00 H new ATOM 731 N LYS A 46 -5.253 -7.471 -4.345 1.00 0.00 N ATOM 732 CA LYS A 46 -5.219 -8.574 -5.298 1.00 0.00 C ATOM 733 C LYS A 46 -4.728 -9.848 -4.628 1.00 0.00 C ATOM 734 O LYS A 46 -3.780 -9.827 -3.832 1.00 0.00 O ATOM 735 CB LYS A 46 -4.328 -8.227 -6.492 1.00 0.00 C ATOM 736 CG LYS A 46 -4.732 -8.933 -7.768 1.00 0.00 C ATOM 737 CD LYS A 46 -4.679 -8.000 -8.971 1.00 0.00 C ATOM 738 CE LYS A 46 -3.273 -7.466 -9.196 1.00 0.00 C ATOM 739 NZ LYS A 46 -2.445 -8.410 -10.002 1.00 0.00 N ATOM 0 H LYS A 46 -4.351 -7.253 -3.922 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.234 -8.742 -5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.357 -7.150 -6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.296 -8.485 -6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.071 -9.783 -7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.741 -9.330 -7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.015 -8.532 -9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.366 -7.168 -8.819 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.327 -6.504 -9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.792 -7.291 -8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.642 -7.898 -10.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.090 -9.171 -9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.026 -8.820 -10.761 1.00 0.00 H new ATOM 753 N ASP A 47 -5.390 -10.951 -4.955 1.00 0.00 N ATOM 754 CA ASP A 47 -5.056 -12.250 -4.397 1.00 0.00 C ATOM 755 C ASP A 47 -3.953 -12.933 -5.202 1.00 0.00 C ATOM 756 O ASP A 47 -4.071 -13.108 -6.415 1.00 0.00 O ATOM 757 CB ASP A 47 -6.299 -13.136 -4.358 1.00 0.00 C ATOM 758 CG ASP A 47 -6.987 -13.227 -5.707 1.00 0.00 C ATOM 759 OD1 ASP A 47 -7.554 -12.208 -6.153 1.00 0.00 O ATOM 760 OD2 ASP A 47 -6.957 -14.317 -6.315 1.00 0.00 O ATOM 0 H ASP A 47 -6.170 -10.968 -5.612 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.688 -12.097 -3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.019 -14.136 -4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.000 -12.742 -3.622 1.00 0.00 H new ATOM 765 N GLU A 48 -2.885 -13.314 -4.509 1.00 0.00 N ATOM 766 CA GLU A 48 -1.738 -13.983 -5.122 1.00 0.00 C ATOM 767 C GLU A 48 -0.532 -13.921 -4.197 1.00 0.00 C ATOM 768 O GLU A 48 -0.034 -14.946 -3.734 1.00 0.00 O ATOM 769 CB GLU A 48 -1.386 -13.356 -6.480 1.00 0.00 C ATOM 770 CG GLU A 48 -1.440 -11.837 -6.506 1.00 0.00 C ATOM 771 CD GLU A 48 -2.096 -11.294 -7.760 1.00 0.00 C ATOM 772 OE1 GLU A 48 -2.956 -11.992 -8.329 1.00 0.00 O ATOM 773 OE2 GLU A 48 -1.749 -10.163 -8.168 1.00 0.00 O ATOM 0 H GLU A 48 -2.788 -13.168 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.011 -15.025 -5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.384 -13.676 -6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.071 -13.744 -7.234 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.987 -11.482 -5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.427 -11.441 -6.430 1.00 0.00 H new ATOM 780 N ILE A 49 -0.084 -12.703 -3.911 1.00 0.00 N ATOM 781 CA ILE A 49 1.043 -12.485 -3.018 1.00 0.00 C ATOM 782 C ILE A 49 0.705 -11.406 -1.995 1.00 0.00 C ATOM 783 O ILE A 49 1.594 -10.760 -1.441 1.00 0.00 O ATOM 784 CB ILE A 49 2.309 -12.070 -3.794 1.00 0.00 C ATOM 785 CG1 ILE A 49 2.030 -10.831 -4.647 1.00 0.00 C ATOM 786 CG2 ILE A 49 2.801 -13.222 -4.659 1.00 0.00 C ATOM 787 CD1 ILE A 49 2.826 -9.614 -4.225 1.00 0.00 C ATOM 0 H ILE A 49 -0.490 -11.847 -4.289 1.00 0.00 H new ATOM 0 HA ILE A 49 1.243 -13.428 -2.509 1.00 0.00 H new ATOM 0 HB ILE A 49 3.092 -11.821 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.255 -11.059 -5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.967 -10.596 -4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.695 -12.914 -5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.037 -14.077 -4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.024 -13.501 -5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.577 -8.774 -4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.583 -9.360 -3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.891 -9.831 -4.304 1.00 0.00 H new ATOM 799 N LYS A 50 -0.592 -11.214 -1.759 1.00 0.00 N ATOM 800 CA LYS A 50 -1.060 -10.211 -0.811 1.00 0.00 C ATOM 801 C LYS A 50 -0.614 -8.818 -1.241 1.00 0.00 C ATOM 802 O LYS A 50 0.416 -8.319 -0.784 1.00 0.00 O ATOM 803 CB LYS A 50 -0.541 -10.519 0.595 1.00 0.00 C ATOM 804 CG LYS A 50 -0.690 -11.979 0.992 1.00 0.00 C ATOM 805 CD LYS A 50 -1.858 -12.182 1.945 1.00 0.00 C ATOM 806 CE LYS A 50 -2.558 -13.509 1.696 1.00 0.00 C ATOM 807 NZ LYS A 50 -2.150 -14.546 2.682 1.00 0.00 N ATOM 0 H LYS A 50 -1.337 -11.742 -2.214 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.150 -10.239 -0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.511 -10.241 0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.076 -9.899 1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.838 -12.586 0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.230 -12.324 1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.500 -12.146 2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.571 -11.366 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.637 -13.365 1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.329 -13.856 0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.649 -15.435 2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.124 -14.702 2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.391 -14.226 3.642 1.00 0.00 H new ATOM 821 N THR A 51 -1.387 -8.193 -2.126 1.00 0.00 N ATOM 822 CA THR A 51 -1.048 -6.858 -2.607 1.00 0.00 C ATOM 823 C THR A 51 -2.255 -5.928 -2.586 1.00 0.00 C ATOM 824 O THR A 51 -3.372 -6.332 -2.911 1.00 0.00 O ATOM 825 CB THR A 51 -0.473 -6.934 -4.023 1.00 0.00 C ATOM 826 OG1 THR A 51 -0.319 -5.637 -4.572 1.00 0.00 O ATOM 827 CG2 THR A 51 -1.333 -7.735 -4.974 1.00 0.00 C ATOM 0 H THR A 51 -2.242 -8.585 -2.520 1.00 0.00 H new ATOM 0 HA THR A 51 -0.296 -6.447 -1.933 1.00 0.00 H new ATOM 0 HB THR A 51 0.489 -7.435 -3.918 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.051 -5.707 -5.477 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.869 -7.749 -5.960 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.431 -8.756 -4.604 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.320 -7.278 -5.044 1.00 0.00 H new ATOM 835 N PHE A 52 -2.015 -4.676 -2.203 1.00 0.00 N ATOM 836 CA PHE A 52 -3.071 -3.671 -2.140 1.00 0.00 C ATOM 837 C PHE A 52 -2.708 -2.460 -2.995 1.00 0.00 C ATOM 838 O PHE A 52 -1.547 -2.272 -3.350 1.00 0.00 O ATOM 839 CB PHE A 52 -3.311 -3.232 -0.693 1.00 0.00 C ATOM 840 CG PHE A 52 -3.222 -4.351 0.305 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.997 -4.911 0.631 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.363 -4.843 0.918 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.912 -5.940 1.550 1.00 0.00 C ATOM 844 CE2 PHE A 52 -4.285 -5.871 1.837 1.00 0.00 C ATOM 845 CZ PHE A 52 -3.057 -6.420 2.153 1.00 0.00 C ATOM 0 H PHE A 52 -1.094 -4.333 -1.931 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.987 -4.116 -2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.582 -2.465 -0.431 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.297 -2.772 -0.622 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.098 -4.539 0.162 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.325 -4.417 0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.951 -6.368 1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.182 -6.245 2.308 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.993 -7.224 2.871 1.00 0.00 H new ATOM 855 N THR A 53 -3.702 -1.643 -3.329 1.00 0.00 N ATOM 856 CA THR A 53 -3.458 -0.458 -4.142 1.00 0.00 C ATOM 857 C THR A 53 -4.394 0.686 -3.753 1.00 0.00 C ATOM 858 O THR A 53 -5.514 0.460 -3.297 1.00 0.00 O ATOM 859 CB THR A 53 -3.618 -0.794 -5.634 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.645 -1.742 -6.044 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.506 0.406 -6.562 1.00 0.00 C ATOM 0 H THR A 53 -4.674 -1.778 -3.052 1.00 0.00 H new ATOM 0 HA THR A 53 -2.435 -0.130 -3.959 1.00 0.00 H new ATOM 0 HB THR A 53 -4.629 -1.192 -5.717 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.765 -1.943 -6.996 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.631 0.080 -7.595 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.281 1.131 -6.314 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.526 0.868 -6.443 1.00 0.00 H new ATOM 869 N VAL A 54 -3.926 1.913 -3.954 1.00 0.00 N ATOM 870 CA VAL A 54 -4.713 3.104 -3.646 1.00 0.00 C ATOM 871 C VAL A 54 -4.604 4.122 -4.785 1.00 0.00 C ATOM 872 O VAL A 54 -3.576 4.776 -4.959 1.00 0.00 O ATOM 873 CB VAL A 54 -4.293 3.737 -2.288 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.234 4.824 -2.452 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.514 4.287 -1.565 1.00 0.00 C ATOM 0 H VAL A 54 -2.999 2.111 -4.331 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.755 2.801 -3.549 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.844 2.945 -1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.977 5.232 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.343 4.397 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.625 5.620 -3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.207 4.727 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.989 5.049 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.221 3.479 -1.378 1.00 0.00 H new ATOM 885 N THR A 55 -5.666 4.229 -5.576 1.00 0.00 N ATOM 886 CA THR A 55 -5.680 5.149 -6.711 1.00 0.00 C ATOM 887 C THR A 55 -6.616 6.331 -6.465 1.00 0.00 C ATOM 888 O THR A 55 -7.778 6.152 -6.102 1.00 0.00 O ATOM 889 CB THR A 55 -6.101 4.412 -7.984 1.00 0.00 C ATOM 890 OG1 THR A 55 -5.558 3.105 -8.010 1.00 0.00 O ATOM 891 CG2 THR A 55 -5.667 5.114 -9.254 1.00 0.00 C ATOM 0 H THR A 55 -6.525 3.693 -5.454 1.00 0.00 H new ATOM 0 HA THR A 55 -4.669 5.538 -6.833 1.00 0.00 H new ATOM 0 HB THR A 55 -7.190 4.387 -7.955 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.840 2.650 -8.831 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.997 4.539 -10.119 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.110 6.109 -9.289 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.581 5.200 -9.269 1.00 0.00 H new ATOM 899 N GLU A 56 -6.101 7.538 -6.674 1.00 0.00 N ATOM 900 CA GLU A 56 -6.891 8.751 -6.483 1.00 0.00 C ATOM 901 C GLU A 56 -7.526 9.192 -7.794 1.00 0.00 C ATOM 902 O GLU A 56 -6.776 9.626 -8.693 1.00 0.00 O ATOM 903 CB GLU A 56 -6.016 9.868 -5.915 1.00 0.00 C ATOM 904 CG GLU A 56 -6.759 11.179 -5.715 1.00 0.00 C ATOM 905 CD GLU A 56 -5.875 12.267 -5.132 1.00 0.00 C ATOM 906 OE1 GLU A 56 -4.636 12.138 -5.217 1.00 0.00 O ATOM 907 OE2 GLU A 56 -6.424 13.248 -4.589 1.00 0.00 O ATOM 908 OXT GLU A 56 -8.765 9.104 -7.915 1.00 0.00 O ATOM 0 H GLU A 56 -5.141 7.703 -6.976 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.688 8.534 -5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.603 9.545 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.174 10.036 -6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.160 11.515 -6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.609 11.013 -5.054 1.00 0.00 H new