USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 467 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 3 TYR OH : rot 150:sc= -5.54! USER MOD Set 1.2: A 45 TYR OH : rot 180:sc= -1.14 USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= -4.17! USER MOD Set 2.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 THR N :NH3+ 156:sc= 1.54 (180deg=1.21) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -161:sc=-0.00623 (180deg=-0.127) USER MOD Single : A 11 GLN : amide:sc= -0.0205 X(o=-0.021,f=-0.021) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0607 USER MOD Single : A 31 LYS NZ :NH3+ -154:sc= -0.0567 (180deg=-0.335) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0279 K(o=-0.028,f=-1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -150:sc= -1.45! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -36:sc= -0.0132! USER MOD Single : A 50 LYS NZ :NH3+ 145:sc= -0.248 (180deg=-1.26!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 71:sc= 0.591 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.020 -13.122 -0.994 1.00 0.00 N ATOM 2 CA THR A 1 4.398 -12.334 -2.092 1.00 0.00 C ATOM 3 C THR A 1 5.112 -10.998 -2.282 1.00 0.00 C ATOM 4 O THR A 1 6.049 -10.673 -1.552 1.00 0.00 O ATOM 5 CB THR A 1 2.926 -12.100 -1.750 1.00 0.00 C ATOM 6 OG1 THR A 1 2.418 -13.169 -0.972 1.00 0.00 O ATOM 7 CG2 THR A 1 2.044 -11.963 -2.973 1.00 0.00 C ATOM 0 H1 THR A 1 4.324 -13.793 -0.611 1.00 0.00 H new ATOM 0 H2 THR A 1 5.839 -13.646 -1.363 1.00 0.00 H new ATOM 0 H3 THR A 1 5.332 -12.479 -0.239 1.00 0.00 H new ATOM 0 HA THR A 1 4.484 -12.890 -3.026 1.00 0.00 H new ATOM 0 HB THR A 1 2.901 -11.161 -1.196 1.00 0.00 H new ATOM 0 HG1 THR A 1 1.476 -13.001 -0.761 1.00 0.00 H new ATOM 0 HG21 THR A 1 1.013 -11.799 -2.661 1.00 0.00 H new ATOM 0 HG22 THR A 1 2.381 -11.117 -3.572 1.00 0.00 H new ATOM 0 HG23 THR A 1 2.103 -12.875 -3.568 1.00 0.00 H new ATOM 17 N THR A 2 4.659 -10.228 -3.266 1.00 0.00 N ATOM 18 CA THR A 2 5.251 -8.927 -3.554 1.00 0.00 C ATOM 19 C THR A 2 4.225 -7.813 -3.370 1.00 0.00 C ATOM 20 O THR A 2 3.215 -7.762 -4.072 1.00 0.00 O ATOM 21 CB THR A 2 5.799 -8.897 -4.981 1.00 0.00 C ATOM 22 OG1 THR A 2 6.681 -9.984 -5.202 1.00 0.00 O ATOM 23 CG2 THR A 2 6.550 -7.625 -5.306 1.00 0.00 C ATOM 0 H THR A 2 3.883 -10.483 -3.878 1.00 0.00 H new ATOM 0 HA THR A 2 6.071 -8.765 -2.854 1.00 0.00 H new ATOM 0 HB THR A 2 4.924 -8.960 -5.628 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.020 -9.949 -6.121 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.912 -7.669 -6.333 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.884 -6.770 -5.192 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.396 -7.518 -4.627 1.00 0.00 H new ATOM 31 N TYR A 3 4.491 -6.924 -2.418 1.00 0.00 N ATOM 32 CA TYR A 3 3.596 -5.809 -2.139 1.00 0.00 C ATOM 33 C TYR A 3 4.123 -4.521 -2.760 1.00 0.00 C ATOM 34 O TYR A 3 5.293 -4.173 -2.592 1.00 0.00 O ATOM 35 CB TYR A 3 3.416 -5.639 -0.627 1.00 0.00 C ATOM 36 CG TYR A 3 2.146 -6.269 -0.113 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.917 -5.652 -0.303 1.00 0.00 C ATOM 38 CD2 TYR A 3 2.174 -7.491 0.545 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.251 -6.238 0.143 1.00 0.00 C ATOM 40 CE2 TYR A 3 1.013 -8.081 1.001 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.197 -7.453 0.795 1.00 0.00 C ATOM 42 OH TYR A 3 -1.358 -8.044 1.234 1.00 0.00 O ATOM 0 H TYR A 3 5.321 -6.955 -1.826 1.00 0.00 H new ATOM 0 HA TYR A 3 2.626 -6.029 -2.585 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.269 -6.081 -0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.413 -4.577 -0.384 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.874 -4.698 -0.808 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.120 -7.988 0.703 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.200 -5.749 -0.017 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.052 -9.029 1.516 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.254 -9.018 1.222 1.00 0.00 H new ATOM 52 N LYS A 4 3.258 -3.818 -3.485 1.00 0.00 N ATOM 53 CA LYS A 4 3.644 -2.571 -4.141 1.00 0.00 C ATOM 54 C LYS A 4 2.933 -1.375 -3.516 1.00 0.00 C ATOM 55 O LYS A 4 1.746 -1.437 -3.201 1.00 0.00 O ATOM 56 CB LYS A 4 3.327 -2.640 -5.635 1.00 0.00 C ATOM 57 CG LYS A 4 4.239 -1.778 -6.489 1.00 0.00 C ATOM 58 CD LYS A 4 3.448 -0.876 -7.423 1.00 0.00 C ATOM 59 CE LYS A 4 3.221 -1.534 -8.776 1.00 0.00 C ATOM 60 NZ LYS A 4 3.303 -0.553 -9.892 1.00 0.00 N ATOM 0 H LYS A 4 2.286 -4.089 -3.634 1.00 0.00 H new ATOM 0 HA LYS A 4 4.718 -2.440 -4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.404 -3.675 -5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.294 -2.330 -5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.872 -1.168 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.901 -2.417 -7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.487 -0.634 -6.969 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.981 0.065 -7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.963 -2.318 -8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.243 -2.014 -8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.143 -1.041 -10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.579 0.182 -9.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.245 -0.113 -9.899 1.00 0.00 H new ATOM 74 N LEU A 5 3.674 -0.283 -3.344 1.00 0.00 N ATOM 75 CA LEU A 5 3.119 0.934 -2.766 1.00 0.00 C ATOM 76 C LEU A 5 3.581 2.160 -3.547 1.00 0.00 C ATOM 77 O LEU A 5 4.767 2.309 -3.842 1.00 0.00 O ATOM 78 CB LEU A 5 3.529 1.071 -1.298 1.00 0.00 C ATOM 79 CG LEU A 5 3.124 2.388 -0.629 1.00 0.00 C ATOM 80 CD1 LEU A 5 1.615 2.454 -0.453 1.00 0.00 C ATOM 81 CD2 LEU A 5 3.825 2.541 0.713 1.00 0.00 C ATOM 0 H LEU A 5 4.660 -0.218 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 5 2.033 0.868 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.090 0.246 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.611 0.964 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 5 3.431 3.211 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.345 3.396 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.132 2.389 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.285 1.624 0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.526 3.482 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.547 1.713 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.904 2.538 0.562 1.00 0.00 H new ATOM 93 N ILE A 6 2.638 3.032 -3.877 1.00 0.00 N ATOM 94 CA ILE A 6 2.948 4.245 -4.620 1.00 0.00 C ATOM 95 C ILE A 6 2.340 5.468 -3.944 1.00 0.00 C ATOM 96 O ILE A 6 1.129 5.536 -3.732 1.00 0.00 O ATOM 97 CB ILE A 6 2.430 4.163 -6.069 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.983 3.667 -6.093 1.00 0.00 C ATOM 99 CG2 ILE A 6 3.324 3.250 -6.899 1.00 0.00 C ATOM 100 CD1 ILE A 6 0.085 4.467 -7.014 1.00 0.00 C ATOM 0 H ILE A 6 1.652 2.922 -3.642 1.00 0.00 H new ATOM 0 HA ILE A 6 4.034 4.341 -4.636 1.00 0.00 H new ATOM 0 HB ILE A 6 2.456 5.162 -6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.971 2.622 -6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.578 3.704 -5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.946 3.201 -7.920 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.340 3.644 -6.906 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.326 2.250 -6.465 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.925 4.060 -6.981 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.067 5.508 -6.691 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.466 4.410 -8.034 1.00 0.00 H new ATOM 112 N LEU A 7 3.190 6.432 -3.608 1.00 0.00 N ATOM 113 CA LEU A 7 2.732 7.651 -2.955 1.00 0.00 C ATOM 114 C LEU A 7 2.777 8.831 -3.917 1.00 0.00 C ATOM 115 O LEU A 7 3.768 9.037 -4.617 1.00 0.00 O ATOM 116 CB LEU A 7 3.582 7.958 -1.720 1.00 0.00 C ATOM 117 CG LEU A 7 3.418 6.976 -0.556 1.00 0.00 C ATOM 118 CD1 LEU A 7 4.549 5.956 -0.544 1.00 0.00 C ATOM 119 CD2 LEU A 7 3.359 7.728 0.769 1.00 0.00 C ATOM 0 H LEU A 7 4.195 6.393 -3.776 1.00 0.00 H new ATOM 0 HA LEU A 7 1.700 7.492 -2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.631 7.975 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.334 8.959 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 7 2.480 6.438 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.411 5.269 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.544 5.396 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.503 6.472 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.242 7.016 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.281 8.293 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.512 8.413 0.761 1.00 0.00 H new ATOM 131 N ASN A 8 1.699 9.607 -3.941 1.00 0.00 N ATOM 132 CA ASN A 8 1.618 10.769 -4.814 1.00 0.00 C ATOM 133 C ASN A 8 1.496 12.051 -3.994 1.00 0.00 C ATOM 134 O ASN A 8 0.445 12.692 -3.972 1.00 0.00 O ATOM 135 CB ASN A 8 0.428 10.635 -5.770 1.00 0.00 C ATOM 136 CG ASN A 8 0.854 10.239 -7.170 1.00 0.00 C ATOM 137 OD1 ASN A 8 0.873 11.065 -8.082 1.00 0.00 O ATOM 138 ND2 ASN A 8 1.198 8.968 -7.346 1.00 0.00 N ATOM 0 H ASN A 8 0.871 9.452 -3.366 1.00 0.00 H new ATOM 0 HA ASN A 8 2.535 10.822 -5.401 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.266 9.890 -5.380 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.110 11.582 -5.811 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.493 8.642 -8.266 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.167 8.318 -6.561 1.00 0.00 H new ATOM 145 N LEU A 9 2.579 12.416 -3.317 1.00 0.00 N ATOM 146 CA LEU A 9 2.592 13.618 -2.494 1.00 0.00 C ATOM 147 C LEU A 9 2.755 14.859 -3.364 1.00 0.00 C ATOM 148 O LEU A 9 3.005 14.753 -4.560 1.00 0.00 O ATOM 149 CB LEU A 9 3.695 13.540 -1.422 1.00 0.00 C ATOM 150 CG LEU A 9 5.134 13.477 -1.935 1.00 0.00 C ATOM 151 CD1 LEU A 9 6.103 13.890 -0.838 1.00 0.00 C ATOM 152 CD2 LEU A 9 5.477 12.083 -2.438 1.00 0.00 C ATOM 0 H LEU A 9 3.457 11.897 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 9 1.635 13.690 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.602 14.409 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.512 12.659 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 9 5.224 14.171 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.124 13.841 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.882 14.910 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.999 13.216 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.506 12.069 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.366 11.365 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.805 11.815 -3.253 1.00 0.00 H new ATOM 164 N LYS A 10 2.578 16.032 -2.763 1.00 0.00 N ATOM 165 CA LYS A 10 2.683 17.288 -3.500 1.00 0.00 C ATOM 166 C LYS A 10 4.135 17.691 -3.736 1.00 0.00 C ATOM 167 O LYS A 10 4.526 18.011 -4.861 1.00 0.00 O ATOM 168 CB LYS A 10 1.953 18.394 -2.746 1.00 0.00 C ATOM 169 CG LYS A 10 0.760 18.963 -3.505 1.00 0.00 C ATOM 170 CD LYS A 10 -0.377 19.317 -2.572 1.00 0.00 C ATOM 171 CE LYS A 10 -0.821 20.767 -2.745 1.00 0.00 C ATOM 172 NZ LYS A 10 0.252 21.717 -2.348 1.00 0.00 N ATOM 0 H LYS A 10 2.362 16.139 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 10 2.220 17.139 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.611 18.004 -1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.654 19.200 -2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.069 19.851 -4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.415 18.236 -4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.221 18.653 -2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.065 19.153 -1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.097 20.942 -3.785 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.711 20.950 -2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.163 22.653 -2.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.719 21.372 -1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.951 21.791 -3.114 1.00 0.00 H new ATOM 186 N GLN A 11 4.927 17.696 -2.674 1.00 0.00 N ATOM 187 CA GLN A 11 6.329 18.073 -2.759 1.00 0.00 C ATOM 188 C GLN A 11 7.108 17.180 -3.724 1.00 0.00 C ATOM 189 O GLN A 11 8.199 17.534 -4.164 1.00 0.00 O ATOM 190 CB GLN A 11 6.986 18.044 -1.378 1.00 0.00 C ATOM 191 CG GLN A 11 6.588 16.832 -0.543 1.00 0.00 C ATOM 192 CD GLN A 11 5.959 17.218 0.782 1.00 0.00 C ATOM 193 OE1 GLN A 11 6.624 17.746 1.670 1.00 0.00 O ATOM 194 NE2 GLN A 11 4.666 16.945 0.926 1.00 0.00 N ATOM 0 H GLN A 11 4.618 17.441 -1.736 1.00 0.00 H new ATOM 0 HA GLN A 11 6.358 19.091 -3.148 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.069 18.053 -1.499 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.718 18.952 -0.837 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.886 16.220 -1.109 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.469 16.218 -0.357 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.150 16.506 0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.190 17.175 1.799 1.00 0.00 H new ATOM 203 N ALA A 12 6.548 16.011 -4.050 1.00 0.00 N ATOM 204 CA ALA A 12 7.216 15.085 -4.965 1.00 0.00 C ATOM 205 C ALA A 12 6.381 13.832 -5.214 1.00 0.00 C ATOM 206 O ALA A 12 5.202 13.771 -4.863 1.00 0.00 O ATOM 207 CB ALA A 12 8.586 14.707 -4.417 1.00 0.00 C ATOM 0 H ALA A 12 5.646 15.688 -3.699 1.00 0.00 H new ATOM 0 HA ALA A 12 7.337 15.593 -5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.075 14.018 -5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.195 15.605 -4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.469 14.228 -3.445 1.00 0.00 H new ATOM 213 N LYS A 13 7.007 12.833 -5.827 1.00 0.00 N ATOM 214 CA LYS A 13 6.339 11.572 -6.132 1.00 0.00 C ATOM 215 C LYS A 13 7.216 10.391 -5.728 1.00 0.00 C ATOM 216 O LYS A 13 8.226 10.107 -6.378 1.00 0.00 O ATOM 217 CB LYS A 13 6.005 11.495 -7.624 1.00 0.00 C ATOM 218 CG LYS A 13 4.532 11.710 -7.929 1.00 0.00 C ATOM 219 CD LYS A 13 4.300 11.965 -9.410 1.00 0.00 C ATOM 220 CE LYS A 13 4.500 10.702 -10.232 1.00 0.00 C ATOM 221 NZ LYS A 13 5.150 10.986 -11.541 1.00 0.00 N ATOM 0 H LYS A 13 7.982 12.873 -6.124 1.00 0.00 H new ATOM 0 HA LYS A 13 5.411 11.527 -5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.591 12.243 -8.158 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.308 10.520 -8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.963 10.834 -7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.159 12.555 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.288 12.342 -9.561 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.984 12.739 -9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.111 9.996 -9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.535 10.224 -10.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.268 10.098 -12.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.555 11.639 -12.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.082 11.419 -11.379 1.00 0.00 H new ATOM 235 N GLU A 14 6.839 9.718 -4.653 1.00 0.00 N ATOM 236 CA GLU A 14 7.601 8.573 -4.164 1.00 0.00 C ATOM 237 C GLU A 14 6.867 7.260 -4.431 1.00 0.00 C ATOM 238 O GLU A 14 5.669 7.141 -4.172 1.00 0.00 O ATOM 239 CB GLU A 14 7.876 8.720 -2.667 1.00 0.00 C ATOM 240 CG GLU A 14 8.757 9.899 -2.319 1.00 0.00 C ATOM 241 CD GLU A 14 10.063 9.893 -3.088 1.00 0.00 C ATOM 242 OE1 GLU A 14 10.759 8.859 -3.066 1.00 0.00 O ATOM 243 OE2 GLU A 14 10.390 10.929 -3.714 1.00 0.00 O ATOM 0 H GLU A 14 6.011 9.942 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 14 8.548 8.549 -4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.926 8.821 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.347 7.807 -2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.220 10.824 -2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.968 9.888 -1.250 1.00 0.00 H new ATOM 250 N GLU A 15 7.596 6.276 -4.949 1.00 0.00 N ATOM 251 CA GLU A 15 7.023 4.969 -5.249 1.00 0.00 C ATOM 252 C GLU A 15 8.062 3.869 -5.061 1.00 0.00 C ATOM 253 O GLU A 15 9.232 4.042 -5.404 1.00 0.00 O ATOM 254 CB GLU A 15 6.486 4.940 -6.684 1.00 0.00 C ATOM 255 CG GLU A 15 7.558 5.175 -7.738 1.00 0.00 C ATOM 256 CD GLU A 15 8.194 3.884 -8.219 1.00 0.00 C ATOM 257 OE1 GLU A 15 7.488 2.856 -8.260 1.00 0.00 O ATOM 258 OE2 GLU A 15 9.395 3.905 -8.558 1.00 0.00 O ATOM 0 H GLU A 15 8.588 6.360 -5.170 1.00 0.00 H new ATOM 0 HA GLU A 15 6.199 4.792 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.013 3.975 -6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.712 5.700 -6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.119 5.698 -8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.330 5.825 -7.327 1.00 0.00 H new ATOM 265 N ALA A 16 7.633 2.735 -4.512 1.00 0.00 N ATOM 266 CA ALA A 16 8.535 1.611 -4.279 1.00 0.00 C ATOM 267 C ALA A 16 7.783 0.287 -4.240 1.00 0.00 C ATOM 268 O ALA A 16 6.565 0.244 -4.424 1.00 0.00 O ATOM 269 CB ALA A 16 9.307 1.820 -2.985 1.00 0.00 C ATOM 0 H ALA A 16 6.669 2.571 -4.221 1.00 0.00 H new ATOM 0 HA ALA A 16 9.237 1.567 -5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.977 0.976 -2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.890 2.738 -3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.608 1.896 -2.152 1.00 0.00 H new ATOM 275 N ILE A 17 8.518 -0.796 -3.997 1.00 0.00 N ATOM 276 CA ILE A 17 7.929 -2.130 -3.931 1.00 0.00 C ATOM 277 C ILE A 17 8.571 -2.954 -2.818 1.00 0.00 C ATOM 278 O ILE A 17 9.795 -3.002 -2.697 1.00 0.00 O ATOM 279 CB ILE A 17 8.085 -2.878 -5.271 1.00 0.00 C ATOM 280 CG1 ILE A 17 7.410 -4.250 -5.203 1.00 0.00 C ATOM 281 CG2 ILE A 17 9.559 -3.020 -5.629 1.00 0.00 C ATOM 282 CD1 ILE A 17 6.237 -4.396 -6.147 1.00 0.00 C ATOM 0 H ILE A 17 9.526 -0.775 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 17 6.867 -2.003 -3.719 1.00 0.00 H new ATOM 0 HB ILE A 17 7.595 -2.297 -6.052 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.147 -5.020 -5.431 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.069 -4.428 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.654 -3.550 -6.577 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.008 -2.031 -5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.071 -3.581 -4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.809 -5.393 -6.044 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.480 -3.649 -5.905 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.575 -4.251 -7.173 1.00 0.00 H new ATOM 294 N LYS A 18 7.737 -3.598 -2.006 1.00 0.00 N ATOM 295 CA LYS A 18 8.225 -4.419 -0.901 1.00 0.00 C ATOM 296 C LYS A 18 7.481 -5.749 -0.843 1.00 0.00 C ATOM 297 O LYS A 18 6.262 -5.795 -0.986 1.00 0.00 O ATOM 298 CB LYS A 18 8.069 -3.683 0.439 1.00 0.00 C ATOM 299 CG LYS A 18 7.940 -2.167 0.321 1.00 0.00 C ATOM 300 CD LYS A 18 9.236 -1.463 0.680 1.00 0.00 C ATOM 301 CE LYS A 18 10.198 -1.427 -0.497 1.00 0.00 C ATOM 302 NZ LYS A 18 11.268 -0.413 -0.307 1.00 0.00 N ATOM 0 H LYS A 18 6.721 -3.568 -2.092 1.00 0.00 H new ATOM 0 HA LYS A 18 9.283 -4.613 -1.077 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.188 -4.070 0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.930 -3.913 1.067 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.653 -1.904 -0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.142 -1.818 0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.020 -0.445 1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.707 -1.973 1.520 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.649 -2.411 -0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.646 -1.206 -1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.903 -0.420 -1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.840 0.529 -0.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.811 -0.638 0.551 1.00 0.00 H new ATOM 316 N GLU A 19 8.223 -6.833 -0.625 1.00 0.00 N ATOM 317 CA GLU A 19 7.629 -8.163 -0.546 1.00 0.00 C ATOM 318 C GLU A 19 7.227 -8.493 0.891 1.00 0.00 C ATOM 319 O GLU A 19 7.819 -7.988 1.843 1.00 0.00 O ATOM 320 CB GLU A 19 8.612 -9.213 -1.064 1.00 0.00 C ATOM 321 CG GLU A 19 9.006 -9.013 -2.518 1.00 0.00 C ATOM 322 CD GLU A 19 9.447 -10.300 -3.185 1.00 0.00 C ATOM 323 OE1 GLU A 19 8.693 -11.293 -3.115 1.00 0.00 O ATOM 324 OE2 GLU A 19 10.545 -10.314 -3.780 1.00 0.00 O ATOM 0 H GLU A 19 9.235 -6.815 -0.500 1.00 0.00 H new ATOM 0 HA GLU A 19 6.734 -8.173 -1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.510 -9.193 -0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.168 -10.202 -0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.161 -8.596 -3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.814 -8.284 -2.575 1.00 0.00 H new ATOM 331 N LEU A 20 6.213 -9.342 1.036 1.00 0.00 N ATOM 332 CA LEU A 20 5.732 -9.738 2.356 1.00 0.00 C ATOM 333 C LEU A 20 4.868 -10.996 2.270 1.00 0.00 C ATOM 334 O LEU A 20 4.866 -11.684 1.250 1.00 0.00 O ATOM 335 CB LEU A 20 4.954 -8.587 2.997 1.00 0.00 C ATOM 336 CG LEU A 20 5.720 -7.826 4.081 1.00 0.00 C ATOM 337 CD1 LEU A 20 5.176 -6.415 4.233 1.00 0.00 C ATOM 338 CD2 LEU A 20 5.654 -8.576 5.403 1.00 0.00 C ATOM 0 H LEU A 20 5.710 -9.768 0.258 1.00 0.00 H new ATOM 0 HA LEU A 20 6.593 -9.970 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.661 -7.885 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.036 -8.983 3.430 1.00 0.00 H new ATOM 0 HG LEU A 20 6.765 -7.754 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.735 -5.891 5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.280 -5.881 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.123 -6.459 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.204 -8.022 6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.614 -8.680 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.097 -9.564 5.283 1.00 0.00 H new ATOM 350 N VAL A 21 4.147 -11.304 3.349 1.00 0.00 N ATOM 351 CA VAL A 21 3.299 -12.492 3.378 1.00 0.00 C ATOM 352 C VAL A 21 1.821 -12.150 3.206 1.00 0.00 C ATOM 353 O VAL A 21 1.124 -12.769 2.403 1.00 0.00 O ATOM 354 CB VAL A 21 3.478 -13.297 4.684 1.00 0.00 C ATOM 355 CG1 VAL A 21 4.663 -14.242 4.568 1.00 0.00 C ATOM 356 CG2 VAL A 21 3.646 -12.372 5.882 1.00 0.00 C ATOM 0 H VAL A 21 4.134 -10.752 4.206 1.00 0.00 H new ATOM 0 HA VAL A 21 3.620 -13.103 2.534 1.00 0.00 H new ATOM 0 HB VAL A 21 2.576 -13.888 4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.775 -14.801 5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.496 -14.936 3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.570 -13.667 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.770 -12.967 6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.526 -11.745 5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.763 -11.741 5.981 1.00 0.00 H new ATOM 366 N ASP A 22 1.342 -11.166 3.964 1.00 0.00 N ATOM 367 CA ASP A 22 -0.059 -10.763 3.887 1.00 0.00 C ATOM 368 C ASP A 22 -0.194 -9.246 3.850 1.00 0.00 C ATOM 369 O ASP A 22 0.802 -8.523 3.836 1.00 0.00 O ATOM 370 CB ASP A 22 -0.841 -11.328 5.075 1.00 0.00 C ATOM 371 CG ASP A 22 -2.229 -11.796 4.680 1.00 0.00 C ATOM 372 OD1 ASP A 22 -3.063 -10.941 4.319 1.00 0.00 O ATOM 373 OD2 ASP A 22 -2.483 -13.020 4.737 1.00 0.00 O ATOM 0 H ASP A 22 1.900 -10.636 4.634 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.473 -11.166 2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.288 -12.162 5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.924 -10.565 5.849 1.00 0.00 H new ATOM 378 N ALA A 23 -1.436 -8.767 3.837 1.00 0.00 N ATOM 379 CA ALA A 23 -1.697 -7.333 3.800 1.00 0.00 C ATOM 380 C ALA A 23 -1.685 -6.737 5.199 1.00 0.00 C ATOM 381 O ALA A 23 -1.218 -5.617 5.395 1.00 0.00 O ATOM 382 CB ALA A 23 -3.021 -7.045 3.114 1.00 0.00 C ATOM 0 H ALA A 23 -2.273 -9.349 3.852 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.899 -6.864 3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.196 -5.969 3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.991 -7.424 2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.828 -7.535 3.659 1.00 0.00 H new ATOM 388 N ALA A 24 -2.187 -7.489 6.173 1.00 0.00 N ATOM 389 CA ALA A 24 -2.206 -7.013 7.554 1.00 0.00 C ATOM 390 C ALA A 24 -0.824 -6.504 7.938 1.00 0.00 C ATOM 391 O ALA A 24 -0.668 -5.379 8.417 1.00 0.00 O ATOM 392 CB ALA A 24 -2.649 -8.124 8.493 1.00 0.00 C ATOM 0 H ALA A 24 -2.582 -8.419 6.036 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.920 -6.194 7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.658 -7.753 9.518 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.651 -8.455 8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.957 -8.962 8.417 1.00 0.00 H new ATOM 398 N THR A 25 0.180 -7.336 7.689 1.00 0.00 N ATOM 399 CA THR A 25 1.553 -6.966 7.977 1.00 0.00 C ATOM 400 C THR A 25 2.011 -5.900 6.996 1.00 0.00 C ATOM 401 O THR A 25 2.647 -4.921 7.385 1.00 0.00 O ATOM 402 CB THR A 25 2.471 -8.192 7.898 1.00 0.00 C ATOM 403 OG1 THR A 25 2.363 -8.974 9.073 1.00 0.00 O ATOM 404 CG2 THR A 25 3.935 -7.842 7.714 1.00 0.00 C ATOM 0 H THR A 25 0.066 -8.268 7.290 1.00 0.00 H new ATOM 0 HA THR A 25 1.605 -6.567 8.990 1.00 0.00 H new ATOM 0 HB THR A 25 2.135 -8.744 7.020 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.954 -9.752 9.003 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.525 -8.757 7.666 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.061 -7.281 6.788 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.273 -7.236 8.555 1.00 0.00 H new ATOM 412 N ALA A 26 1.669 -6.084 5.723 1.00 0.00 N ATOM 413 CA ALA A 26 2.039 -5.116 4.703 1.00 0.00 C ATOM 414 C ALA A 26 1.616 -3.730 5.155 1.00 0.00 C ATOM 415 O ALA A 26 2.421 -2.806 5.215 1.00 0.00 O ATOM 416 CB ALA A 26 1.392 -5.470 3.370 1.00 0.00 C ATOM 0 H ALA A 26 1.142 -6.887 5.379 1.00 0.00 H new ATOM 0 HA ALA A 26 3.120 -5.133 4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.680 -4.735 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.724 -6.459 3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.308 -5.470 3.480 1.00 0.00 H new ATOM 422 N GLU A 27 0.346 -3.614 5.505 1.00 0.00 N ATOM 423 CA GLU A 27 -0.217 -2.368 5.997 1.00 0.00 C ATOM 424 C GLU A 27 0.634 -1.810 7.127 1.00 0.00 C ATOM 425 O GLU A 27 0.784 -0.599 7.265 1.00 0.00 O ATOM 426 CB GLU A 27 -1.639 -2.611 6.496 1.00 0.00 C ATOM 427 CG GLU A 27 -2.318 -1.365 7.043 1.00 0.00 C ATOM 428 CD GLU A 27 -3.828 -1.494 7.080 1.00 0.00 C ATOM 429 OE1 GLU A 27 -4.334 -2.373 7.809 1.00 0.00 O ATOM 430 OE2 GLU A 27 -4.508 -0.714 6.379 1.00 0.00 O ATOM 0 H GLU A 27 -0.324 -4.381 5.456 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.234 -1.644 5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.238 -3.011 5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.616 -3.373 7.275 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.949 -1.166 8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.045 -0.507 6.428 1.00 0.00 H new ATOM 437 N LYS A 28 1.196 -2.705 7.933 1.00 0.00 N ATOM 438 CA LYS A 28 2.040 -2.295 9.047 1.00 0.00 C ATOM 439 C LYS A 28 3.333 -1.680 8.528 1.00 0.00 C ATOM 440 O LYS A 28 3.759 -0.617 8.980 1.00 0.00 O ATOM 441 CB LYS A 28 2.350 -3.488 9.950 1.00 0.00 C ATOM 442 CG LYS A 28 2.353 -3.146 11.431 1.00 0.00 C ATOM 443 CD LYS A 28 2.552 -4.385 12.288 1.00 0.00 C ATOM 444 CE LYS A 28 3.989 -4.879 12.229 1.00 0.00 C ATOM 445 NZ LYS A 28 4.793 -4.383 13.380 1.00 0.00 N ATOM 0 H LYS A 28 1.082 -3.714 7.836 1.00 0.00 H new ATOM 0 HA LYS A 28 1.504 -1.547 9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.614 -4.271 9.768 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.324 -3.896 9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.146 -2.428 11.638 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.411 -2.666 11.697 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.285 -4.161 13.321 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.881 -5.174 11.950 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.998 -5.969 12.222 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.448 -4.550 11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.766 -4.741 13.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.805 -3.343 13.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.370 -4.718 14.269 1.00 0.00 H new ATOM 459 N TYR A 29 3.946 -2.359 7.566 1.00 0.00 N ATOM 460 CA TYR A 29 5.190 -1.897 6.967 1.00 0.00 C ATOM 461 C TYR A 29 4.927 -0.759 5.983 1.00 0.00 C ATOM 462 O TYR A 29 5.425 0.355 6.148 1.00 0.00 O ATOM 463 CB TYR A 29 5.885 -3.051 6.247 1.00 0.00 C ATOM 464 CG TYR A 29 7.183 -2.658 5.580 1.00 0.00 C ATOM 465 CD1 TYR A 29 7.183 -1.879 4.431 1.00 0.00 C ATOM 466 CD2 TYR A 29 8.407 -3.057 6.101 1.00 0.00 C ATOM 467 CE1 TYR A 29 8.363 -1.513 3.817 1.00 0.00 C ATOM 468 CE2 TYR A 29 9.594 -2.696 5.492 1.00 0.00 C ATOM 469 CZ TYR A 29 9.565 -1.922 4.351 1.00 0.00 C ATOM 470 OH TYR A 29 10.744 -1.557 3.742 1.00 0.00 O ATOM 0 H TYR A 29 3.598 -3.238 7.182 1.00 0.00 H new ATOM 0 HA TYR A 29 5.836 -1.527 7.763 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.082 -3.848 6.963 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.209 -3.458 5.495 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.243 -1.554 4.010 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.432 -3.659 6.997 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.344 -0.909 2.922 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.538 -3.018 5.907 1.00 0.00 H new ATOM 0 HH TYR A 29 11.500 -1.926 4.245 1.00 0.00 H new ATOM 480 N PHE A 30 4.147 -1.062 4.950 1.00 0.00 N ATOM 481 CA PHE A 30 3.814 -0.091 3.915 1.00 0.00 C ATOM 482 C PHE A 30 3.336 1.231 4.509 1.00 0.00 C ATOM 483 O PHE A 30 3.658 2.301 3.992 1.00 0.00 O ATOM 484 CB PHE A 30 2.748 -0.679 2.973 1.00 0.00 C ATOM 485 CG PHE A 30 3.269 -1.103 1.617 1.00 0.00 C ATOM 486 CD1 PHE A 30 4.546 -0.757 1.189 1.00 0.00 C ATOM 487 CD2 PHE A 30 2.472 -1.858 0.767 1.00 0.00 C ATOM 488 CE1 PHE A 30 5.014 -1.154 -0.047 1.00 0.00 C ATOM 489 CE2 PHE A 30 2.937 -2.254 -0.472 1.00 0.00 C ATOM 490 CZ PHE A 30 4.208 -1.903 -0.880 1.00 0.00 C ATOM 0 H PHE A 30 3.730 -1.982 4.808 1.00 0.00 H new ATOM 0 HA PHE A 30 4.720 0.121 3.347 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.290 -1.541 3.457 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.961 0.061 2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.181 -0.168 1.834 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.477 -2.139 1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.010 -0.879 -0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.305 -2.840 -1.123 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.571 -2.214 -1.849 1.00 0.00 H new ATOM 500 N LYS A 31 2.582 1.163 5.603 1.00 0.00 N ATOM 501 CA LYS A 31 2.086 2.371 6.251 1.00 0.00 C ATOM 502 C LYS A 31 3.211 3.068 7.009 1.00 0.00 C ATOM 503 O LYS A 31 3.256 4.296 7.081 1.00 0.00 O ATOM 504 CB LYS A 31 0.941 2.040 7.210 1.00 0.00 C ATOM 505 CG LYS A 31 0.274 3.273 7.805 1.00 0.00 C ATOM 506 CD LYS A 31 -0.815 2.893 8.795 1.00 0.00 C ATOM 507 CE LYS A 31 -0.790 3.790 10.021 1.00 0.00 C ATOM 508 NZ LYS A 31 0.449 3.598 10.825 1.00 0.00 N ATOM 0 H LYS A 31 2.304 0.292 6.055 1.00 0.00 H new ATOM 0 HA LYS A 31 1.711 3.041 5.477 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.192 1.451 6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.323 1.417 8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.023 3.888 8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.154 3.878 7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.789 2.964 8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.685 1.855 9.100 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.863 4.832 9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.661 3.581 10.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.263 3.853 11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.746 2.603 10.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.205 4.205 10.448 1.00 0.00 H new ATOM 522 N LEU A 32 4.121 2.274 7.565 1.00 0.00 N ATOM 523 CA LEU A 32 5.251 2.814 8.310 1.00 0.00 C ATOM 524 C LEU A 32 6.194 3.582 7.388 1.00 0.00 C ATOM 525 O LEU A 32 6.902 4.489 7.822 1.00 0.00 O ATOM 526 CB LEU A 32 6.005 1.688 9.018 1.00 0.00 C ATOM 527 CG LEU A 32 5.988 1.761 10.546 1.00 0.00 C ATOM 528 CD1 LEU A 32 5.025 0.736 11.119 1.00 0.00 C ATOM 529 CD2 LEU A 32 7.388 1.550 11.108 1.00 0.00 C ATOM 0 H LEU A 32 4.097 1.256 7.513 1.00 0.00 H new ATOM 0 HA LEU A 32 4.866 3.507 9.058 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.577 0.734 8.710 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.041 1.696 8.680 1.00 0.00 H new ATOM 0 HG LEU A 32 5.647 2.754 10.837 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.027 0.803 12.207 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.020 0.932 10.745 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.336 -0.264 10.817 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.355 1.605 12.196 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.758 0.570 10.805 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.054 2.323 10.725 1.00 0.00 H new ATOM 541 N TYR A 33 6.196 3.212 6.108 1.00 0.00 N ATOM 542 CA TYR A 33 7.048 3.866 5.124 1.00 0.00 C ATOM 543 C TYR A 33 6.432 5.187 4.672 1.00 0.00 C ATOM 544 O TYR A 33 7.068 6.237 4.741 1.00 0.00 O ATOM 545 CB TYR A 33 7.262 2.943 3.918 1.00 0.00 C ATOM 546 CG TYR A 33 7.834 3.640 2.701 1.00 0.00 C ATOM 547 CD1 TYR A 33 7.021 4.390 1.857 1.00 0.00 C ATOM 548 CD2 TYR A 33 9.187 3.550 2.401 1.00 0.00 C ATOM 549 CE1 TYR A 33 7.544 5.028 0.748 1.00 0.00 C ATOM 550 CE2 TYR A 33 9.716 4.187 1.294 1.00 0.00 C ATOM 551 CZ TYR A 33 8.890 4.922 0.471 1.00 0.00 C ATOM 552 OH TYR A 33 9.414 5.557 -0.633 1.00 0.00 O ATOM 0 H TYR A 33 5.616 2.462 5.731 1.00 0.00 H new ATOM 0 HA TYR A 33 8.012 4.076 5.586 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.931 2.133 4.208 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.309 2.488 3.649 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.966 4.475 2.072 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.836 2.973 3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.901 5.607 0.102 1.00 0.00 H new ATOM 0 HE2 TYR A 33 10.771 4.109 1.075 1.00 0.00 H new ATOM 0 HH TYR A 33 10.377 5.383 -0.684 1.00 0.00 H new ATOM 562 N ALA A 34 5.195 5.118 4.200 1.00 0.00 N ATOM 563 CA ALA A 34 4.488 6.299 3.725 1.00 0.00 C ATOM 564 C ALA A 34 4.396 7.372 4.807 1.00 0.00 C ATOM 565 O ALA A 34 4.462 8.565 4.514 1.00 0.00 O ATOM 566 CB ALA A 34 3.101 5.916 3.238 1.00 0.00 C ATOM 0 H ALA A 34 4.659 4.253 4.136 1.00 0.00 H new ATOM 0 HA ALA A 34 5.055 6.718 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.581 6.806 2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.187 5.198 2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.539 5.468 4.057 1.00 0.00 H new ATOM 572 N ASN A 35 4.239 6.941 6.053 1.00 0.00 N ATOM 573 CA ASN A 35 4.130 7.870 7.174 1.00 0.00 C ATOM 574 C ASN A 35 5.496 8.440 7.554 1.00 0.00 C ATOM 575 O ASN A 35 5.609 9.616 7.901 1.00 0.00 O ATOM 576 CB ASN A 35 3.503 7.172 8.382 1.00 0.00 C ATOM 577 CG ASN A 35 2.952 8.156 9.395 1.00 0.00 C ATOM 578 OD1 ASN A 35 2.458 9.224 9.033 1.00 0.00 O ATOM 579 ND2 ASN A 35 3.034 7.800 10.671 1.00 0.00 N ATOM 0 H ASN A 35 4.184 5.956 6.313 1.00 0.00 H new ATOM 0 HA ASN A 35 3.489 8.695 6.864 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.701 6.516 8.043 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.251 6.541 8.862 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.679 8.422 11.398 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.452 6.905 10.925 1.00 0.00 H new ATOM 586 N ALA A 36 6.523 7.602 7.495 1.00 0.00 N ATOM 587 CA ALA A 36 7.874 8.028 7.840 1.00 0.00 C ATOM 588 C ALA A 36 8.523 8.803 6.700 1.00 0.00 C ATOM 589 O ALA A 36 8.991 9.928 6.888 1.00 0.00 O ATOM 590 CB ALA A 36 8.727 6.825 8.212 1.00 0.00 C ATOM 0 H ALA A 36 6.447 6.625 7.212 1.00 0.00 H new ATOM 0 HA ALA A 36 7.804 8.695 8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.733 7.157 8.467 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.285 6.316 9.068 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.775 6.138 7.367 1.00 0.00 H new ATOM 596 N LYS A 37 8.556 8.196 5.518 1.00 0.00 N ATOM 597 CA LYS A 37 9.156 8.828 4.349 1.00 0.00 C ATOM 598 C LYS A 37 8.282 9.962 3.822 1.00 0.00 C ATOM 599 O LYS A 37 8.632 11.137 3.941 1.00 0.00 O ATOM 600 CB LYS A 37 9.387 7.790 3.247 1.00 0.00 C ATOM 601 CG LYS A 37 10.822 7.299 3.165 1.00 0.00 C ATOM 602 CD LYS A 37 11.233 6.556 4.427 1.00 0.00 C ATOM 603 CE LYS A 37 12.123 7.412 5.314 1.00 0.00 C ATOM 604 NZ LYS A 37 13.237 6.624 5.907 1.00 0.00 N ATOM 0 H LYS A 37 8.174 7.266 5.345 1.00 0.00 H new ATOM 0 HA LYS A 37 10.114 9.251 4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.730 6.938 3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.104 8.222 2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.933 6.642 2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.489 8.147 3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.343 6.259 4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.760 5.641 4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.532 8.237 4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.525 7.852 6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.821 7.243 6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.847 5.852 6.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.823 6.225 5.146 1.00 0.00 H new ATOM 618 N THR A 38 7.146 9.604 3.231 1.00 0.00 N ATOM 619 CA THR A 38 6.230 10.593 2.676 1.00 0.00 C ATOM 620 C THR A 38 5.232 11.069 3.735 1.00 0.00 C ATOM 621 O THR A 38 5.504 10.986 4.933 1.00 0.00 O ATOM 622 CB THR A 38 5.486 10.001 1.476 1.00 0.00 C ATOM 623 OG1 THR A 38 6.183 8.884 0.953 1.00 0.00 O ATOM 624 CG2 THR A 38 5.292 10.988 0.347 1.00 0.00 C ATOM 0 H THR A 38 6.839 8.637 3.125 1.00 0.00 H new ATOM 0 HA THR A 38 6.812 11.454 2.347 1.00 0.00 H new ATOM 0 HB THR A 38 4.507 9.712 1.859 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.012 8.813 -0.009 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.759 10.504 -0.471 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.714 11.840 0.704 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.264 11.332 -0.007 1.00 0.00 H new ATOM 632 N VAL A 39 4.076 11.568 3.289 1.00 0.00 N ATOM 633 CA VAL A 39 3.049 12.053 4.204 1.00 0.00 C ATOM 634 C VAL A 39 1.839 11.122 4.204 1.00 0.00 C ATOM 635 O VAL A 39 1.668 10.313 3.291 1.00 0.00 O ATOM 636 CB VAL A 39 2.593 13.476 3.834 1.00 0.00 C ATOM 637 CG1 VAL A 39 1.745 14.075 4.945 1.00 0.00 C ATOM 638 CG2 VAL A 39 3.791 14.365 3.537 1.00 0.00 C ATOM 0 H VAL A 39 3.832 11.645 2.302 1.00 0.00 H new ATOM 0 HA VAL A 39 3.491 12.074 5.200 1.00 0.00 H new ATOM 0 HB VAL A 39 1.982 13.413 2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.433 15.081 4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.864 13.454 5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.329 14.121 5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.446 15.366 3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.431 14.419 4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.355 13.948 2.703 1.00 0.00 H new ATOM 648 N GLU A 40 1.003 11.242 5.229 1.00 0.00 N ATOM 649 CA GLU A 40 -0.187 10.405 5.341 1.00 0.00 C ATOM 650 C GLU A 40 -1.421 11.134 4.811 1.00 0.00 C ATOM 651 O GLU A 40 -1.944 12.034 5.457 1.00 0.00 O ATOM 652 CB GLU A 40 -0.413 9.995 6.798 1.00 0.00 C ATOM 653 CG GLU A 40 -0.306 11.152 7.780 1.00 0.00 C ATOM 654 CD GLU A 40 -1.265 11.017 8.946 1.00 0.00 C ATOM 655 OE1 GLU A 40 -0.896 10.362 9.944 1.00 0.00 O ATOM 656 OE2 GLU A 40 -2.383 11.564 8.860 1.00 0.00 O ATOM 0 H GLU A 40 1.126 11.908 5.992 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.028 9.511 4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.400 9.541 6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.316 9.231 7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.715 11.209 8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.505 12.087 7.257 1.00 0.00 H new ATOM 663 N GLY A 41 -1.879 10.724 3.631 1.00 0.00 N ATOM 664 CA GLY A 41 -3.043 11.335 3.032 1.00 0.00 C ATOM 665 C GLY A 41 -4.098 10.316 2.650 1.00 0.00 C ATOM 666 O GLY A 41 -4.392 9.404 3.426 1.00 0.00 O ATOM 0 H GLY A 41 -1.459 9.975 3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.472 12.054 3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.742 11.892 2.145 1.00 0.00 H new ATOM 670 N VAL A 42 -4.653 10.452 1.451 1.00 0.00 N ATOM 671 CA VAL A 42 -5.667 9.516 0.978 1.00 0.00 C ATOM 672 C VAL A 42 -5.088 8.117 0.891 1.00 0.00 C ATOM 673 O VAL A 42 -3.877 7.950 0.774 1.00 0.00 O ATOM 674 CB VAL A 42 -6.219 9.926 -0.400 1.00 0.00 C ATOM 675 CG1 VAL A 42 -7.426 9.076 -0.764 1.00 0.00 C ATOM 676 CG2 VAL A 42 -6.577 11.408 -0.417 1.00 0.00 C ATOM 0 H VAL A 42 -4.420 11.196 0.793 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.488 9.533 1.695 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.443 9.756 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.803 9.379 -1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.135 8.026 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.206 9.213 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.965 11.677 -1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.335 11.608 0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.687 12.000 -0.204 1.00 0.00 H new ATOM 686 N TRP A 43 -5.950 7.117 0.971 1.00 0.00 N ATOM 687 CA TRP A 43 -5.508 5.733 0.924 1.00 0.00 C ATOM 688 C TRP A 43 -6.354 4.906 -0.041 1.00 0.00 C ATOM 689 O TRP A 43 -7.554 5.137 -0.188 1.00 0.00 O ATOM 690 CB TRP A 43 -5.576 5.127 2.324 1.00 0.00 C ATOM 691 CG TRP A 43 -4.329 5.336 3.130 1.00 0.00 C ATOM 692 CD1 TRP A 43 -4.063 6.368 3.982 1.00 0.00 C ATOM 693 CD2 TRP A 43 -3.182 4.486 3.153 1.00 0.00 C ATOM 694 NE1 TRP A 43 -2.813 6.208 4.535 1.00 0.00 N ATOM 695 CE2 TRP A 43 -2.253 5.060 4.041 1.00 0.00 C ATOM 696 CE3 TRP A 43 -2.852 3.294 2.510 1.00 0.00 C ATOM 697 CZ2 TRP A 43 -1.013 4.479 4.300 1.00 0.00 C ATOM 698 CZ3 TRP A 43 -1.623 2.716 2.767 1.00 0.00 C ATOM 699 CH2 TRP A 43 -0.717 3.308 3.655 1.00 0.00 C ATOM 0 H TRP A 43 -6.958 7.237 1.069 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.480 5.718 0.563 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.421 5.562 2.858 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.769 4.058 2.239 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.734 7.188 4.191 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.375 6.841 5.204 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.544 2.830 1.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.312 4.935 4.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.357 1.792 2.275 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.235 2.831 3.835 1.00 0.00 H new ATOM 710 N THR A 44 -5.715 3.937 -0.686 1.00 0.00 N ATOM 711 CA THR A 44 -6.397 3.062 -1.634 1.00 0.00 C ATOM 712 C THR A 44 -5.641 1.743 -1.774 1.00 0.00 C ATOM 713 O THR A 44 -4.436 1.680 -1.525 1.00 0.00 O ATOM 714 CB THR A 44 -6.527 3.748 -2.997 1.00 0.00 C ATOM 715 OG1 THR A 44 -5.672 4.876 -3.076 1.00 0.00 O ATOM 716 CG2 THR A 44 -7.934 4.218 -3.296 1.00 0.00 C ATOM 0 H THR A 44 -4.722 3.736 -0.569 1.00 0.00 H new ATOM 0 HA THR A 44 -7.397 2.853 -1.255 1.00 0.00 H new ATOM 0 HB THR A 44 -6.249 2.990 -3.730 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.769 5.299 -3.955 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.958 4.695 -4.276 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.611 3.364 -3.292 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.248 4.934 -2.536 1.00 0.00 H new ATOM 724 N TYR A 45 -6.351 0.691 -2.168 1.00 0.00 N ATOM 725 CA TYR A 45 -5.736 -0.623 -2.330 1.00 0.00 C ATOM 726 C TYR A 45 -6.094 -1.239 -3.676 1.00 0.00 C ATOM 727 O TYR A 45 -7.124 -0.917 -4.267 1.00 0.00 O ATOM 728 CB TYR A 45 -6.174 -1.552 -1.198 1.00 0.00 C ATOM 729 CG TYR A 45 -5.502 -2.908 -1.235 1.00 0.00 C ATOM 730 CD1 TYR A 45 -4.136 -3.033 -1.016 1.00 0.00 C ATOM 731 CD2 TYR A 45 -6.234 -4.060 -1.486 1.00 0.00 C ATOM 732 CE1 TYR A 45 -3.519 -4.269 -1.048 1.00 0.00 C ATOM 733 CE2 TYR A 45 -5.624 -5.300 -1.518 1.00 0.00 C ATOM 734 CZ TYR A 45 -4.266 -5.398 -1.300 1.00 0.00 C ATOM 735 OH TYR A 45 -3.657 -6.630 -1.332 1.00 0.00 O ATOM 0 H TYR A 45 -7.348 0.721 -2.380 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.654 -0.494 -2.293 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.958 -1.074 -0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.254 -1.689 -1.249 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.547 -2.150 -0.818 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.297 -3.986 -1.659 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.456 -4.349 -0.876 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.208 -6.187 -1.713 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.326 -7.321 -1.521 1.00 0.00 H new ATOM 745 N LYS A 46 -5.235 -2.138 -4.150 1.00 0.00 N ATOM 746 CA LYS A 46 -5.456 -2.813 -5.423 1.00 0.00 C ATOM 747 C LYS A 46 -5.515 -4.324 -5.223 1.00 0.00 C ATOM 748 O LYS A 46 -4.577 -4.927 -4.701 1.00 0.00 O ATOM 749 CB LYS A 46 -4.341 -2.468 -6.416 1.00 0.00 C ATOM 750 CG LYS A 46 -3.919 -1.007 -6.381 1.00 0.00 C ATOM 751 CD LYS A 46 -4.874 -0.133 -7.176 1.00 0.00 C ATOM 752 CE LYS A 46 -4.388 0.071 -8.596 1.00 0.00 C ATOM 753 NZ LYS A 46 -3.437 1.213 -8.705 1.00 0.00 N ATOM 0 H LYS A 46 -4.379 -2.415 -3.670 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.409 -2.470 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.473 -3.093 -6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.675 -2.716 -7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.883 -0.662 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.912 -0.908 -6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.862 -0.592 -7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.979 0.834 -6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.902 -0.839 -8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.243 0.248 -9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.130 1.316 -9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.907 2.087 -8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.609 1.034 -8.102 1.00 0.00 H new ATOM 767 N ASP A 47 -6.624 -4.927 -5.643 1.00 0.00 N ATOM 768 CA ASP A 47 -6.806 -6.369 -5.507 1.00 0.00 C ATOM 769 C ASP A 47 -6.382 -7.102 -6.774 1.00 0.00 C ATOM 770 O ASP A 47 -6.815 -8.227 -7.026 1.00 0.00 O ATOM 771 CB ASP A 47 -8.268 -6.688 -5.184 1.00 0.00 C ATOM 772 CG ASP A 47 -8.512 -6.838 -3.695 1.00 0.00 C ATOM 773 OD1 ASP A 47 -8.603 -5.803 -3.001 1.00 0.00 O ATOM 774 OD2 ASP A 47 -8.610 -7.988 -3.221 1.00 0.00 O ATOM 0 H ASP A 47 -7.408 -4.441 -6.079 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.173 -6.711 -4.689 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.905 -5.895 -5.576 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.557 -7.609 -5.691 1.00 0.00 H new ATOM 779 N GLU A 48 -5.527 -6.464 -7.571 1.00 0.00 N ATOM 780 CA GLU A 48 -5.047 -7.067 -8.809 1.00 0.00 C ATOM 781 C GLU A 48 -3.738 -7.813 -8.564 1.00 0.00 C ATOM 782 O GLU A 48 -3.469 -8.835 -9.201 1.00 0.00 O ATOM 783 CB GLU A 48 -4.846 -5.991 -9.876 1.00 0.00 C ATOM 784 CG GLU A 48 -5.949 -5.971 -10.933 1.00 0.00 C ATOM 785 CD GLU A 48 -5.636 -6.861 -12.113 1.00 0.00 C ATOM 786 OE1 GLU A 48 -5.605 -8.096 -11.944 1.00 0.00 O ATOM 787 OE2 GLU A 48 -5.425 -6.322 -13.221 1.00 0.00 O ATOM 0 H GLU A 48 -5.155 -5.534 -7.381 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.794 -7.778 -9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.798 -5.015 -9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.886 -6.151 -10.366 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.888 -6.290 -10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.095 -4.949 -11.282 1.00 0.00 H new ATOM 794 N THR A 49 -2.934 -7.298 -7.645 1.00 0.00 N ATOM 795 CA THR A 49 -1.655 -7.913 -7.315 1.00 0.00 C ATOM 796 C THR A 49 -1.122 -7.372 -5.994 1.00 0.00 C ATOM 797 O THR A 49 0.090 -7.283 -5.790 1.00 0.00 O ATOM 798 CB THR A 49 -0.638 -7.662 -8.429 1.00 0.00 C ATOM 799 OG1 THR A 49 -1.245 -7.791 -9.700 1.00 0.00 O ATOM 800 CG2 THR A 49 0.543 -8.605 -8.381 1.00 0.00 C ATOM 0 H THR A 49 -3.145 -6.454 -7.113 1.00 0.00 H new ATOM 0 HA THR A 49 -1.811 -8.987 -7.215 1.00 0.00 H new ATOM 0 HB THR A 49 -0.276 -6.646 -8.269 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.914 -8.506 -9.672 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.227 -8.374 -9.198 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.062 -8.490 -7.430 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.193 -9.632 -8.481 1.00 0.00 H new ATOM 808 N LYS A 50 -2.034 -7.014 -5.094 1.00 0.00 N ATOM 809 CA LYS A 50 -1.655 -6.483 -3.791 1.00 0.00 C ATOM 810 C LYS A 50 -0.828 -5.211 -3.942 1.00 0.00 C ATOM 811 O LYS A 50 0.402 -5.255 -3.943 1.00 0.00 O ATOM 812 CB LYS A 50 -0.863 -7.530 -3.003 1.00 0.00 C ATOM 813 CG LYS A 50 -1.734 -8.613 -2.383 1.00 0.00 C ATOM 814 CD LYS A 50 -1.111 -9.991 -2.550 1.00 0.00 C ATOM 815 CE LYS A 50 -2.146 -11.024 -2.971 1.00 0.00 C ATOM 816 NZ LYS A 50 -2.895 -10.599 -4.185 1.00 0.00 N ATOM 0 H LYS A 50 -3.040 -7.083 -5.245 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.567 -6.239 -3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.134 -7.997 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.302 -7.030 -2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.878 -8.403 -1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.720 -8.599 -2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.317 -9.945 -3.296 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.649 -10.299 -1.612 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.651 -11.975 -3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.846 -11.190 -2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.112 -11.432 -4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.781 -10.135 -3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.316 -9.933 -4.735 1.00 0.00 H new ATOM 830 N THR A 51 -1.510 -4.076 -4.075 1.00 0.00 N ATOM 831 CA THR A 51 -0.830 -2.797 -4.229 1.00 0.00 C ATOM 832 C THR A 51 -1.547 -1.688 -3.465 1.00 0.00 C ATOM 833 O THR A 51 -2.752 -1.492 -3.625 1.00 0.00 O ATOM 834 CB THR A 51 -0.731 -2.425 -5.711 1.00 0.00 C ATOM 835 OG1 THR A 51 -0.150 -3.480 -6.455 1.00 0.00 O ATOM 836 CG2 THR A 51 0.088 -1.179 -5.964 1.00 0.00 C ATOM 0 H THR A 51 -2.528 -4.018 -4.079 1.00 0.00 H new ATOM 0 HA THR A 51 0.172 -2.903 -3.814 1.00 0.00 H new ATOM 0 HB THR A 51 -1.756 -2.235 -6.029 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.097 -3.224 -7.399 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.117 -0.974 -7.034 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.364 -0.334 -5.444 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.103 -1.330 -5.596 1.00 0.00 H new ATOM 844 N PHE A 52 -0.797 -0.965 -2.644 1.00 0.00 N ATOM 845 CA PHE A 52 -1.352 0.136 -1.860 1.00 0.00 C ATOM 846 C PHE A 52 -1.034 1.473 -2.520 1.00 0.00 C ATOM 847 O PHE A 52 -0.012 1.615 -3.192 1.00 0.00 O ATOM 848 CB PHE A 52 -0.792 0.112 -0.438 1.00 0.00 C ATOM 849 CG PHE A 52 -1.473 -0.878 0.463 1.00 0.00 C ATOM 850 CD1 PHE A 52 -1.164 -2.227 0.393 1.00 0.00 C ATOM 851 CD2 PHE A 52 -2.419 -0.459 1.387 1.00 0.00 C ATOM 852 CE1 PHE A 52 -1.783 -3.140 1.225 1.00 0.00 C ATOM 853 CE2 PHE A 52 -3.040 -1.369 2.220 1.00 0.00 C ATOM 854 CZ PHE A 52 -2.725 -2.710 2.139 1.00 0.00 C ATOM 0 H PHE A 52 0.201 -1.120 -2.502 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.434 0.014 -1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.272 -0.121 -0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.884 1.108 -0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.430 -2.569 -0.321 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.672 0.589 1.456 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.531 -4.188 1.161 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.774 -1.030 2.936 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.214 -3.421 2.788 1.00 0.00 H new ATOM 864 N THR A 53 -1.908 2.453 -2.328 1.00 0.00 N ATOM 865 CA THR A 53 -1.708 3.775 -2.912 1.00 0.00 C ATOM 866 C THR A 53 -2.197 4.873 -1.972 1.00 0.00 C ATOM 867 O THR A 53 -3.371 4.919 -1.609 1.00 0.00 O ATOM 868 CB THR A 53 -2.428 3.878 -4.258 1.00 0.00 C ATOM 869 OG1 THR A 53 -2.563 5.232 -4.655 1.00 0.00 O ATOM 870 CG2 THR A 53 -3.811 3.264 -4.248 1.00 0.00 C ATOM 0 H THR A 53 -2.760 2.359 -1.775 1.00 0.00 H new ATOM 0 HA THR A 53 -0.638 3.912 -3.069 1.00 0.00 H new ATOM 0 HB THR A 53 -1.806 3.321 -4.958 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.024 5.275 -5.518 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.264 3.372 -5.233 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.738 2.206 -3.996 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.429 3.771 -3.507 1.00 0.00 H new ATOM 878 N VAL A 54 -1.285 5.762 -1.587 1.00 0.00 N ATOM 879 CA VAL A 54 -1.620 6.867 -0.695 1.00 0.00 C ATOM 880 C VAL A 54 -1.043 8.176 -1.226 1.00 0.00 C ATOM 881 O VAL A 54 0.164 8.297 -1.429 1.00 0.00 O ATOM 882 CB VAL A 54 -1.091 6.617 0.737 1.00 0.00 C ATOM 883 CG1 VAL A 54 0.390 6.288 0.706 1.00 0.00 C ATOM 884 CG2 VAL A 54 -1.364 7.815 1.643 1.00 0.00 C ATOM 0 H VAL A 54 -0.308 5.738 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.707 6.937 -0.657 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.625 5.761 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.746 6.115 1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.551 5.391 0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.939 7.121 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.981 7.610 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.868 8.697 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.438 7.994 1.696 1.00 0.00 H new ATOM 894 N THR A 55 -1.912 9.153 -1.457 1.00 0.00 N ATOM 895 CA THR A 55 -1.480 10.447 -1.971 1.00 0.00 C ATOM 896 C THR A 55 -1.833 11.570 -1.003 1.00 0.00 C ATOM 897 O THR A 55 -2.582 11.364 -0.049 1.00 0.00 O ATOM 898 CB THR A 55 -2.121 10.714 -3.331 1.00 0.00 C ATOM 899 OG1 THR A 55 -1.935 12.064 -3.722 1.00 0.00 O ATOM 900 CG2 THR A 55 -3.605 10.429 -3.346 1.00 0.00 C ATOM 0 H THR A 55 -2.916 9.074 -1.297 1.00 0.00 H new ATOM 0 HA THR A 55 -0.396 10.419 -2.082 1.00 0.00 H new ATOM 0 HB THR A 55 -1.625 10.037 -4.027 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.995 12.210 -3.957 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.005 10.637 -4.338 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.777 9.382 -3.097 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.105 11.063 -2.613 1.00 0.00 H new ATOM 908 N GLU A 56 -1.284 12.755 -1.252 1.00 0.00 N ATOM 909 CA GLU A 56 -1.539 13.909 -0.404 1.00 0.00 C ATOM 910 C GLU A 56 -2.892 14.538 -0.737 1.00 0.00 C ATOM 911 O GLU A 56 -3.547 15.054 0.190 1.00 0.00 O ATOM 912 CB GLU A 56 -0.423 14.944 -0.569 1.00 0.00 C ATOM 913 CG GLU A 56 -0.627 16.197 0.279 1.00 0.00 C ATOM 914 CD GLU A 56 -0.852 15.876 1.744 1.00 0.00 C ATOM 915 OE1 GLU A 56 0.145 15.785 2.491 1.00 0.00 O ATOM 916 OE2 GLU A 56 -2.027 15.718 2.144 1.00 0.00 O ATOM 917 OXT GLU A 56 -3.276 14.503 -1.924 1.00 0.00 O ATOM 0 H GLU A 56 -0.659 12.939 -2.037 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.561 13.573 0.633 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.530 14.486 -0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.357 15.231 -1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.245 16.844 0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.482 16.755 -0.103 1.00 0.00 H new TER 924 GLU A 56