USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: X 8 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Set 1.2: X 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: X 4 LYS NZ :NH3+ 157:sc= -0.15 (180deg=-0.83) USER MOD Set 2.2: X 17 THR OG1 : rot 180:sc= -0.808 USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 1 MET N :NH3+ 168:sc= -1.06 (180deg=-1.5!) USER MOD Single : X 2 GLN : amide:sc= -1.25! K(o=-1.2!,f=-0.066) USER MOD Single : X 3 TYR OH : rot 180:sc= 0.298 USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot 25:sc= 1 USER MOD Single : X 13 LYS NZ :NH3+ -138:sc= -0.101 (180deg=-0.653) USER MOD Single : X 16 THR OG1 : rot 180:sc= -0.0457 USER MOD Single : X 18 THR OG1 : rot 180:sc= -0.154 USER MOD Single : X 25 THR OG1 : rot 180:sc= 0 USER MOD Single : X 28 LYS NZ :NH3+ -110:sc= -1.52 (180deg=-3.8!) USER MOD Single : X 31 LYS NZ :NH3+ 168:sc= -2.18! (180deg=-2.8!) USER MOD Single : X 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc= -0.747 K(o=-0.75,f=0) USER MOD Single : X 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.511 USER MOD Single : X 45 TYR OH : rot 180:sc= 0 USER MOD Single : X 49 THR OG1 : rot 101:sc= -0.38 USER MOD Single : X 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 51 THR OG1 : rot 10:sc= 0.471 USER MOD Single : X 53 THR OG1 : rot 30:sc= 0.473 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 -12.535 7.514 15.370 1.00 0.00 N ATOM 2 CA MET X 1 -13.900 7.811 15.889 1.00 0.00 C ATOM 3 C MET X 1 -14.763 8.369 14.762 1.00 0.00 C ATOM 4 O MET X 1 -15.954 8.620 14.944 1.00 0.00 O ATOM 5 CB MET X 1 -13.798 8.831 17.025 1.00 0.00 C ATOM 6 CG MET X 1 -12.857 9.964 16.612 1.00 0.00 C ATOM 7 SD MET X 1 -11.279 9.783 17.480 1.00 0.00 S ATOM 8 CE MET X 1 -10.713 11.489 17.276 1.00 0.00 C ATOM 0 H1 MET X 1 -11.893 7.329 16.167 1.00 0.00 H new ATOM 0 H2 MET X 1 -12.572 6.677 14.754 1.00 0.00 H new ATOM 0 H3 MET X 1 -12.186 8.329 14.826 1.00 0.00 H new ATOM 0 HA MET X 1 -14.357 6.897 16.267 1.00 0.00 H new ATOM 0 HB2 MET X 1 -14.785 9.231 17.258 1.00 0.00 H new ATOM 0 HB3 MET X 1 -13.428 8.348 17.929 1.00 0.00 H new ATOM 0 HG2 MET X 1 -12.696 9.943 15.534 1.00 0.00 H new ATOM 0 HG3 MET X 1 -13.306 10.929 16.848 1.00 0.00 H new ATOM 0 HE1 MET X 1 -9.737 11.607 17.746 1.00 0.00 H new ATOM 0 HE2 MET X 1 -10.635 11.722 16.214 1.00 0.00 H new ATOM 0 HE3 MET X 1 -11.426 12.167 17.745 1.00 0.00 H new ATOM 20 N GLN X 2 -14.153 8.557 13.597 1.00 0.00 N ATOM 21 CA GLN X 2 -14.874 9.083 12.442 1.00 0.00 C ATOM 22 C GLN X 2 -14.709 8.151 11.247 1.00 0.00 C ATOM 23 O GLN X 2 -13.599 7.724 10.930 1.00 0.00 O ATOM 24 CB GLN X 2 -14.346 10.473 12.085 1.00 0.00 C ATOM 25 CG GLN X 2 -15.232 11.095 11.005 1.00 0.00 C ATOM 26 CD GLN X 2 -14.886 12.571 10.837 1.00 0.00 C ATOM 27 OE1 GLN X 2 -14.974 13.108 9.733 1.00 0.00 O ATOM 28 NE2 GLN X 2 -14.494 13.261 11.873 1.00 0.00 N ATOM 0 H GLN X 2 -13.168 8.355 13.427 1.00 0.00 H new ATOM 0 HA GLN X 2 -15.932 9.153 12.694 1.00 0.00 H new ATOM 0 HB2 GLN X 2 -14.335 11.108 12.971 1.00 0.00 H new ATOM 0 HB3 GLN X 2 -13.318 10.403 11.730 1.00 0.00 H new ATOM 0 HG2 GLN X 2 -15.092 10.570 10.060 1.00 0.00 H new ATOM 0 HG3 GLN X 2 -16.282 10.987 11.277 1.00 0.00 H new ATOM 0 HE21 GLN X 2 -14.422 12.813 12.787 1.00 0.00 H new ATOM 0 HE22 GLN X 2 -14.260 14.248 11.769 1.00 0.00 H new ATOM 37 N TYR X 3 -15.820 7.833 10.589 1.00 0.00 N ATOM 38 CA TYR X 3 -15.777 6.944 9.434 1.00 0.00 C ATOM 39 C TYR X 3 -16.776 7.383 8.368 1.00 0.00 C ATOM 40 O TYR X 3 -17.641 8.222 8.617 1.00 0.00 O ATOM 41 CB TYR X 3 -16.093 5.512 9.869 1.00 0.00 C ATOM 42 CG TYR X 3 -15.826 5.363 11.349 1.00 0.00 C ATOM 43 CD1 TYR X 3 -14.511 5.365 11.828 1.00 0.00 C ATOM 44 CD2 TYR X 3 -16.896 5.221 12.242 1.00 0.00 C ATOM 45 CE1 TYR X 3 -14.264 5.226 13.199 1.00 0.00 C ATOM 46 CE2 TYR X 3 -16.649 5.082 13.614 1.00 0.00 C ATOM 47 CZ TYR X 3 -15.333 5.085 14.092 1.00 0.00 C ATOM 48 OH TYR X 3 -15.090 4.948 15.444 1.00 0.00 O ATOM 0 H TYR X 3 -16.750 8.173 10.832 1.00 0.00 H new ATOM 0 HA TYR X 3 -14.774 6.988 9.009 1.00 0.00 H new ATOM 0 HB2 TYR X 3 -17.135 5.276 9.651 1.00 0.00 H new ATOM 0 HB3 TYR X 3 -15.482 4.807 9.306 1.00 0.00 H new ATOM 0 HD1 TYR X 3 -13.686 5.474 11.139 1.00 0.00 H new ATOM 0 HD2 TYR X 3 -17.911 5.219 11.873 1.00 0.00 H new ATOM 0 HE1 TYR X 3 -13.249 5.228 13.568 1.00 0.00 H new ATOM 0 HE2 TYR X 3 -17.474 4.973 14.303 1.00 0.00 H new ATOM 0 HH TYR X 3 -15.941 4.862 15.922 1.00 0.00 H new ATOM 58 N LYS X 4 -16.647 6.801 7.180 1.00 0.00 N ATOM 59 CA LYS X 4 -17.539 7.123 6.073 1.00 0.00 C ATOM 60 C LYS X 4 -17.933 5.848 5.336 1.00 0.00 C ATOM 61 O LYS X 4 -17.124 4.931 5.193 1.00 0.00 O ATOM 62 CB LYS X 4 -16.849 8.089 5.108 1.00 0.00 C ATOM 63 CG LYS X 4 -16.796 9.483 5.736 1.00 0.00 C ATOM 64 CD LYS X 4 -15.644 10.280 5.121 1.00 0.00 C ATOM 65 CE LYS X 4 -15.962 10.586 3.658 1.00 0.00 C ATOM 66 NZ LYS X 4 -17.190 11.426 3.583 1.00 0.00 N ATOM 0 H LYS X 4 -15.934 6.105 6.960 1.00 0.00 H new ATOM 0 HA LYS X 4 -18.437 7.598 6.469 1.00 0.00 H new ATOM 0 HB2 LYS X 4 -15.841 7.740 4.885 1.00 0.00 H new ATOM 0 HB3 LYS X 4 -17.390 8.124 4.162 1.00 0.00 H new ATOM 0 HG2 LYS X 4 -17.740 10.003 5.572 1.00 0.00 H new ATOM 0 HG3 LYS X 4 -16.660 9.402 6.815 1.00 0.00 H new ATOM 0 HD2 LYS X 4 -15.493 11.207 5.673 1.00 0.00 H new ATOM 0 HD3 LYS X 4 -14.716 9.712 5.192 1.00 0.00 H new ATOM 0 HE2 LYS X 4 -15.124 11.106 3.193 1.00 0.00 H new ATOM 0 HE3 LYS X 4 -16.108 9.658 3.105 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 -17.198 11.950 2.685 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 -18.031 10.817 3.636 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 -17.200 12.098 4.376 1.00 0.00 H new ATOM 80 N LEU X 5 -19.178 5.787 4.879 1.00 0.00 N ATOM 81 CA LEU X 5 -19.655 4.607 4.172 1.00 0.00 C ATOM 82 C LEU X 5 -20.064 4.956 2.746 1.00 0.00 C ATOM 83 O LEU X 5 -21.086 5.604 2.524 1.00 0.00 O ATOM 84 CB LEU X 5 -20.849 4.000 4.916 1.00 0.00 C ATOM 85 CG LEU X 5 -21.244 4.909 6.082 1.00 0.00 C ATOM 86 CD1 LEU X 5 -22.510 4.366 6.749 1.00 0.00 C ATOM 87 CD2 LEU X 5 -20.106 4.951 7.106 1.00 0.00 C ATOM 0 H LEU X 5 -19.867 6.531 4.984 1.00 0.00 H new ATOM 0 HA LEU X 5 -18.843 3.881 4.132 1.00 0.00 H new ATOM 0 HB2 LEU X 5 -21.691 3.879 4.235 1.00 0.00 H new ATOM 0 HB3 LEU X 5 -20.593 3.007 5.286 1.00 0.00 H new ATOM 0 HG LEU X 5 -21.434 5.915 5.708 1.00 0.00 H new ATOM 0 HD11 LEU X 5 -22.790 5.014 7.579 1.00 0.00 H new ATOM 0 HD12 LEU X 5 -23.321 4.337 6.021 1.00 0.00 H new ATOM 0 HD13 LEU X 5 -22.322 3.359 7.122 1.00 0.00 H new ATOM 0 HD21 LEU X 5 -20.387 5.599 7.936 1.00 0.00 H new ATOM 0 HD22 LEU X 5 -19.915 3.945 7.479 1.00 0.00 H new ATOM 0 HD23 LEU X 5 -19.204 5.340 6.632 1.00 0.00 H new ATOM 99 N ILE X 6 -19.264 4.512 1.783 1.00 0.00 N ATOM 100 CA ILE X 6 -19.563 4.776 0.378 1.00 0.00 C ATOM 101 C ILE X 6 -20.178 3.536 -0.263 1.00 0.00 C ATOM 102 O ILE X 6 -19.488 2.552 -0.513 1.00 0.00 O ATOM 103 CB ILE X 6 -18.282 5.152 -0.369 1.00 0.00 C ATOM 104 CG1 ILE X 6 -17.539 6.243 0.407 1.00 0.00 C ATOM 105 CG2 ILE X 6 -18.634 5.668 -1.767 1.00 0.00 C ATOM 106 CD1 ILE X 6 -16.161 6.465 -0.219 1.00 0.00 C ATOM 0 H ILE X 6 -18.413 3.974 1.945 1.00 0.00 H new ATOM 0 HA ILE X 6 -20.270 5.604 0.319 1.00 0.00 H new ATOM 0 HB ILE X 6 -17.645 4.272 -0.459 1.00 0.00 H new ATOM 0 HG12 ILE X 6 -18.112 7.170 0.390 1.00 0.00 H new ATOM 0 HG13 ILE X 6 -17.433 5.953 1.452 1.00 0.00 H new ATOM 0 HG21 ILE X 6 -17.720 5.935 -2.297 1.00 0.00 H new ATOM 0 HG22 ILE X 6 -19.160 4.890 -2.320 1.00 0.00 H new ATOM 0 HG23 ILE X 6 -19.273 6.547 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE X 6 -15.631 7.242 0.333 1.00 0.00 H new ATOM 0 HD12 ILE X 6 -15.590 5.538 -0.179 1.00 0.00 H new ATOM 0 HD13 ILE X 6 -16.279 6.774 -1.258 1.00 0.00 H new ATOM 118 N LEU X 7 -21.479 3.580 -0.525 1.00 0.00 N ATOM 119 CA LEU X 7 -22.150 2.437 -1.124 1.00 0.00 C ATOM 120 C LEU X 7 -22.574 2.739 -2.552 1.00 0.00 C ATOM 121 O LEU X 7 -23.334 3.673 -2.804 1.00 0.00 O ATOM 122 CB LEU X 7 -23.375 2.051 -0.292 1.00 0.00 C ATOM 123 CG LEU X 7 -24.286 3.269 -0.121 1.00 0.00 C ATOM 124 CD1 LEU X 7 -25.425 3.207 -1.141 1.00 0.00 C ATOM 125 CD2 LEU X 7 -24.871 3.269 1.293 1.00 0.00 C ATOM 0 H LEU X 7 -22.081 4.382 -0.335 1.00 0.00 H new ATOM 0 HA LEU X 7 -21.447 1.604 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU X 7 -23.919 1.243 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU X 7 -23.062 1.679 0.684 1.00 0.00 H new ATOM 0 HG LEU X 7 -23.708 4.179 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU X 7 -26.072 4.075 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU X 7 -25.011 3.204 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU X 7 -26.005 2.297 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU X 7 -25.520 4.135 1.418 1.00 0.00 H new ATOM 0 HD22 LEU X 7 -25.448 2.357 1.448 1.00 0.00 H new ATOM 0 HD23 LEU X 7 -24.062 3.314 2.022 1.00 0.00 H new ATOM 137 N ASN X 8 -22.079 1.934 -3.484 1.00 0.00 N ATOM 138 CA ASN X 8 -22.420 2.116 -4.884 1.00 0.00 C ATOM 139 C ASN X 8 -23.409 1.045 -5.328 1.00 0.00 C ATOM 140 O ASN X 8 -23.080 -0.141 -5.367 1.00 0.00 O ATOM 141 CB ASN X 8 -21.159 2.034 -5.747 1.00 0.00 C ATOM 142 CG ASN X 8 -20.092 2.981 -5.211 1.00 0.00 C ATOM 143 OD1 ASN X 8 -20.402 4.100 -4.803 1.00 0.00 O ATOM 144 ND2 ASN X 8 -18.844 2.597 -5.187 1.00 0.00 N ATOM 0 H ASN X 8 -21.446 1.157 -3.296 1.00 0.00 H new ATOM 0 HA ASN X 8 -22.877 3.098 -5.005 1.00 0.00 H new ATOM 0 HB2 ASN X 8 -20.779 1.012 -5.753 1.00 0.00 H new ATOM 0 HB3 ASN X 8 -21.398 2.291 -6.779 1.00 0.00 H new ATOM 0 HD21 ASN X 8 -18.124 3.225 -4.830 1.00 0.00 H new ATOM 0 HD22 ASN X 8 -18.589 1.669 -5.526 1.00 0.00 H new ATOM 151 N GLY X 9 -24.618 1.473 -5.667 1.00 0.00 N ATOM 152 CA GLY X 9 -25.649 0.543 -6.115 1.00 0.00 C ATOM 153 C GLY X 9 -25.524 0.291 -7.612 1.00 0.00 C ATOM 154 O GLY X 9 -26.505 0.371 -8.351 1.00 0.00 O ATOM 0 H GLY X 9 -24.909 2.450 -5.641 1.00 0.00 H new ATOM 0 HA2 GLY X 9 -25.559 -0.398 -5.573 1.00 0.00 H new ATOM 0 HA3 GLY X 9 -26.636 0.948 -5.889 1.00 0.00 H new ATOM 158 N LYS X 10 -24.304 -0.003 -8.049 1.00 0.00 N ATOM 159 CA LYS X 10 -24.042 -0.255 -9.461 1.00 0.00 C ATOM 160 C LYS X 10 -24.393 0.981 -10.280 1.00 0.00 C ATOM 161 O LYS X 10 -23.557 1.522 -11.004 1.00 0.00 O ATOM 162 CB LYS X 10 -24.871 -1.450 -9.946 1.00 0.00 C ATOM 163 CG LYS X 10 -23.948 -2.524 -10.534 1.00 0.00 C ATOM 164 CD LYS X 10 -23.553 -2.138 -11.961 1.00 0.00 C ATOM 165 CE LYS X 10 -22.705 -3.254 -12.575 1.00 0.00 C ATOM 166 NZ LYS X 10 -23.580 -4.163 -13.368 1.00 0.00 N ATOM 0 H LYS X 10 -23.483 -0.072 -7.447 1.00 0.00 H new ATOM 0 HA LYS X 10 -22.984 -0.483 -9.589 1.00 0.00 H new ATOM 0 HB2 LYS X 10 -25.445 -1.866 -9.117 1.00 0.00 H new ATOM 0 HB3 LYS X 10 -25.589 -1.124 -10.699 1.00 0.00 H new ATOM 0 HG2 LYS X 10 -23.057 -2.630 -9.915 1.00 0.00 H new ATOM 0 HG3 LYS X 10 -24.452 -3.490 -10.534 1.00 0.00 H new ATOM 0 HD2 LYS X 10 -24.445 -1.971 -12.564 1.00 0.00 H new ATOM 0 HD3 LYS X 10 -22.993 -1.203 -11.954 1.00 0.00 H new ATOM 0 HE2 LYS X 10 -21.931 -2.828 -13.214 1.00 0.00 H new ATOM 0 HE3 LYS X 10 -22.198 -3.814 -11.789 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 -23.004 -4.922 -13.786 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 -24.303 -4.579 -12.746 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 -24.044 -3.624 -14.126 1.00 0.00 H new ATOM 180 N THR X 11 -25.637 1.421 -10.151 1.00 0.00 N ATOM 181 CA THR X 11 -26.104 2.599 -10.871 1.00 0.00 C ATOM 182 C THR X 11 -26.389 3.742 -9.901 1.00 0.00 C ATOM 183 O THR X 11 -26.858 4.806 -10.306 1.00 0.00 O ATOM 184 CB THR X 11 -27.374 2.264 -11.655 1.00 0.00 C ATOM 185 OG1 THR X 11 -28.155 3.440 -11.810 1.00 0.00 O ATOM 186 CG2 THR X 11 -28.182 1.209 -10.897 1.00 0.00 C ATOM 0 H THR X 11 -26.340 0.982 -9.556 1.00 0.00 H new ATOM 0 HA THR X 11 -25.322 2.911 -11.564 1.00 0.00 H new ATOM 0 HB THR X 11 -27.103 1.874 -12.636 1.00 0.00 H new ATOM 0 HG1 THR X 11 -27.576 4.228 -11.748 1.00 0.00 H new ATOM 0 HG21 THR X 11 -29.086 0.972 -11.457 1.00 0.00 H new ATOM 0 HG22 THR X 11 -27.582 0.307 -10.778 1.00 0.00 H new ATOM 0 HG23 THR X 11 -28.454 1.596 -9.915 1.00 0.00 H new ATOM 194 N LEU X 12 -26.110 3.517 -8.619 1.00 0.00 N ATOM 195 CA LEU X 12 -26.354 4.544 -7.610 1.00 0.00 C ATOM 196 C LEU X 12 -25.136 4.717 -6.708 1.00 0.00 C ATOM 197 O LEU X 12 -24.457 3.748 -6.373 1.00 0.00 O ATOM 198 CB LEU X 12 -27.572 4.162 -6.759 1.00 0.00 C ATOM 199 CG LEU X 12 -28.657 5.234 -6.892 1.00 0.00 C ATOM 200 CD1 LEU X 12 -28.113 6.582 -6.410 1.00 0.00 C ATOM 201 CD2 LEU X 12 -29.085 5.350 -8.358 1.00 0.00 C ATOM 0 H LEU X 12 -25.721 2.646 -8.258 1.00 0.00 H new ATOM 0 HA LEU X 12 -26.547 5.487 -8.121 1.00 0.00 H new ATOM 0 HB2 LEU X 12 -27.962 3.196 -7.079 1.00 0.00 H new ATOM 0 HB3 LEU X 12 -27.278 4.057 -5.715 1.00 0.00 H new ATOM 0 HG LEU X 12 -29.517 4.954 -6.283 1.00 0.00 H new ATOM 0 HD11 LEU X 12 -28.888 7.342 -6.506 1.00 0.00 H new ATOM 0 HD12 LEU X 12 -27.812 6.500 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU X 12 -27.251 6.864 -7.015 1.00 0.00 H new ATOM 0 HD21 LEU X 12 -29.857 6.113 -8.452 1.00 0.00 H new ATOM 0 HD22 LEU X 12 -28.225 5.627 -8.967 1.00 0.00 H new ATOM 0 HD23 LEU X 12 -29.478 4.392 -8.699 1.00 0.00 H new ATOM 213 N LYS X 13 -24.873 5.960 -6.316 1.00 0.00 N ATOM 214 CA LYS X 13 -23.740 6.260 -5.447 1.00 0.00 C ATOM 215 C LYS X 13 -24.182 7.150 -4.290 1.00 0.00 C ATOM 216 O LYS X 13 -25.065 7.993 -4.449 1.00 0.00 O ATOM 217 CB LYS X 13 -22.643 6.971 -6.242 1.00 0.00 C ATOM 218 CG LYS X 13 -22.289 6.146 -7.480 1.00 0.00 C ATOM 219 CD LYS X 13 -20.881 6.515 -7.950 1.00 0.00 C ATOM 220 CE LYS X 13 -20.858 7.981 -8.389 1.00 0.00 C ATOM 221 NZ LYS X 13 -21.806 8.176 -9.522 1.00 0.00 N ATOM 0 H LYS X 13 -25.427 6.773 -6.585 1.00 0.00 H new ATOM 0 HA LYS X 13 -23.351 5.322 -5.050 1.00 0.00 H new ATOM 0 HB2 LYS X 13 -22.981 7.964 -6.539 1.00 0.00 H new ATOM 0 HB3 LYS X 13 -21.759 7.108 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS X 13 -22.340 5.082 -7.249 1.00 0.00 H new ATOM 0 HG3 LYS X 13 -23.011 6.334 -8.275 1.00 0.00 H new ATOM 0 HD2 LYS X 13 -20.163 6.354 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS X 13 -20.582 5.872 -8.777 1.00 0.00 H new ATOM 0 HE2 LYS X 13 -21.134 8.626 -7.555 1.00 0.00 H new ATOM 0 HE3 LYS X 13 -19.850 8.265 -8.691 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 -21.370 8.793 -10.237 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 -22.030 7.255 -9.950 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 -22.680 8.616 -9.171 1.00 0.00 H new ATOM 235 N GLY X 14 -23.567 6.959 -3.128 1.00 0.00 N ATOM 236 CA GLY X 14 -23.912 7.755 -1.956 1.00 0.00 C ATOM 237 C GLY X 14 -22.869 7.588 -0.858 1.00 0.00 C ATOM 238 O GLY X 14 -22.325 6.501 -0.665 1.00 0.00 O ATOM 0 H GLY X 14 -22.834 6.267 -2.973 1.00 0.00 H new ATOM 0 HA2 GLY X 14 -23.987 8.806 -2.235 1.00 0.00 H new ATOM 0 HA3 GLY X 14 -24.891 7.454 -1.582 1.00 0.00 H new ATOM 242 N GLU X 15 -22.594 8.673 -0.142 1.00 0.00 N ATOM 243 CA GLU X 15 -21.614 8.637 0.937 1.00 0.00 C ATOM 244 C GLU X 15 -22.181 9.286 2.195 1.00 0.00 C ATOM 245 O GLU X 15 -23.045 10.160 2.118 1.00 0.00 O ATOM 246 CB GLU X 15 -20.340 9.370 0.510 1.00 0.00 C ATOM 247 CG GLU X 15 -20.697 10.478 -0.482 1.00 0.00 C ATOM 248 CD GLU X 15 -19.506 11.410 -0.676 1.00 0.00 C ATOM 249 OE1 GLU X 15 -18.388 10.923 -0.657 1.00 0.00 O ATOM 250 OE2 GLU X 15 -19.729 12.599 -0.839 1.00 0.00 O ATOM 0 H GLU X 15 -23.033 9.582 -0.288 1.00 0.00 H new ATOM 0 HA GLU X 15 -21.377 7.596 1.154 1.00 0.00 H new ATOM 0 HB2 GLU X 15 -19.842 9.794 1.382 1.00 0.00 H new ATOM 0 HB3 GLU X 15 -19.641 8.670 0.053 1.00 0.00 H new ATOM 0 HG2 GLU X 15 -20.987 10.042 -1.438 1.00 0.00 H new ATOM 0 HG3 GLU X 15 -21.555 11.042 -0.116 1.00 0.00 H new ATOM 257 N THR X 16 -21.692 8.851 3.352 1.00 0.00 N ATOM 258 CA THR X 16 -22.161 9.398 4.620 1.00 0.00 C ATOM 259 C THR X 16 -21.023 9.462 5.633 1.00 0.00 C ATOM 260 O THR X 16 -19.941 8.922 5.403 1.00 0.00 O ATOM 261 CB THR X 16 -23.292 8.529 5.175 1.00 0.00 C ATOM 262 OG1 THR X 16 -23.845 7.747 4.126 1.00 0.00 O ATOM 263 CG2 THR X 16 -24.377 9.424 5.775 1.00 0.00 C ATOM 0 H THR X 16 -20.978 8.128 3.438 1.00 0.00 H new ATOM 0 HA THR X 16 -22.530 10.408 4.443 1.00 0.00 H new ATOM 0 HB THR X 16 -22.899 7.871 5.949 1.00 0.00 H new ATOM 0 HG1 THR X 16 -24.568 7.189 4.480 1.00 0.00 H new ATOM 0 HG21 THR X 16 -25.182 8.805 6.170 1.00 0.00 H new ATOM 0 HG22 THR X 16 -23.951 10.022 6.580 1.00 0.00 H new ATOM 0 HG23 THR X 16 -24.772 10.084 5.003 1.00 0.00 H new ATOM 271 N THR X 17 -21.278 10.126 6.756 1.00 0.00 N ATOM 272 CA THR X 17 -20.271 10.257 7.803 1.00 0.00 C ATOM 273 C THR X 17 -20.922 10.192 9.180 1.00 0.00 C ATOM 274 O THR X 17 -21.953 10.821 9.419 1.00 0.00 O ATOM 275 CB THR X 17 -19.529 11.587 7.649 1.00 0.00 C ATOM 276 OG1 THR X 17 -19.045 11.705 6.319 1.00 0.00 O ATOM 277 CG2 THR X 17 -18.356 11.635 8.629 1.00 0.00 C ATOM 0 H THR X 17 -22.168 10.579 6.964 1.00 0.00 H new ATOM 0 HA THR X 17 -19.563 9.433 7.708 1.00 0.00 H new ATOM 0 HB THR X 17 -20.210 12.411 7.862 1.00 0.00 H new ATOM 0 HG1 THR X 17 -18.571 12.557 6.218 1.00 0.00 H new ATOM 0 HG21 THR X 17 -17.828 12.582 8.519 1.00 0.00 H new ATOM 0 HG22 THR X 17 -18.730 11.545 9.649 1.00 0.00 H new ATOM 0 HG23 THR X 17 -17.673 10.812 8.419 1.00 0.00 H new ATOM 285 N THR X 18 -20.318 9.424 10.081 1.00 0.00 N ATOM 286 CA THR X 18 -20.855 9.285 11.430 1.00 0.00 C ATOM 287 C THR X 18 -19.732 9.077 12.442 1.00 0.00 C ATOM 288 O THR X 18 -18.718 8.449 12.140 1.00 0.00 O ATOM 289 CB THR X 18 -21.818 8.098 11.484 1.00 0.00 C ATOM 290 OG1 THR X 18 -22.711 8.165 10.381 1.00 0.00 O ATOM 291 CG2 THR X 18 -22.611 8.142 12.790 1.00 0.00 C ATOM 0 H THR X 18 -19.465 8.893 9.905 1.00 0.00 H new ATOM 0 HA THR X 18 -21.387 10.202 11.684 1.00 0.00 H new ATOM 0 HB THR X 18 -21.253 7.167 11.437 1.00 0.00 H new ATOM 0 HG1 THR X 18 -23.328 7.404 10.413 1.00 0.00 H new ATOM 0 HG21 THR X 18 -23.297 7.296 12.828 1.00 0.00 H new ATOM 0 HG22 THR X 18 -21.924 8.090 13.635 1.00 0.00 H new ATOM 0 HG23 THR X 18 -23.178 9.071 12.840 1.00 0.00 H new ATOM 299 N GLU X 19 -19.924 9.607 13.647 1.00 0.00 N ATOM 300 CA GLU X 19 -18.925 9.473 14.700 1.00 0.00 C ATOM 301 C GLU X 19 -19.466 8.620 15.842 1.00 0.00 C ATOM 302 O GLU X 19 -20.345 9.050 16.589 1.00 0.00 O ATOM 303 CB GLU X 19 -18.536 10.854 15.233 1.00 0.00 C ATOM 304 CG GLU X 19 -17.679 11.583 14.196 1.00 0.00 C ATOM 305 CD GLU X 19 -18.573 12.361 13.237 1.00 0.00 C ATOM 306 OE1 GLU X 19 -19.702 12.640 13.604 1.00 0.00 O ATOM 307 OE2 GLU X 19 -18.115 12.667 12.148 1.00 0.00 O ATOM 0 H GLU X 19 -20.757 10.130 13.916 1.00 0.00 H new ATOM 0 HA GLU X 19 -18.045 8.986 14.280 1.00 0.00 H new ATOM 0 HB2 GLU X 19 -19.431 11.435 15.453 1.00 0.00 H new ATOM 0 HB3 GLU X 19 -17.985 10.752 16.168 1.00 0.00 H new ATOM 0 HG2 GLU X 19 -16.989 12.263 14.695 1.00 0.00 H new ATOM 0 HG3 GLU X 19 -17.075 10.865 13.642 1.00 0.00 H new ATOM 314 N ALA X 20 -18.938 7.407 15.971 1.00 0.00 N ATOM 315 CA ALA X 20 -19.378 6.502 17.025 1.00 0.00 C ATOM 316 C ALA X 20 -18.215 5.652 17.524 1.00 0.00 C ATOM 317 O ALA X 20 -17.185 5.542 16.859 1.00 0.00 O ATOM 318 CB ALA X 20 -20.487 5.589 16.498 1.00 0.00 C ATOM 0 H ALA X 20 -18.210 7.031 15.363 1.00 0.00 H new ATOM 0 HA ALA X 20 -19.759 7.099 17.854 1.00 0.00 H new ATOM 0 HB1 ALA X 20 -20.811 4.915 17.291 1.00 0.00 H new ATOM 0 HB2 ALA X 20 -21.331 6.195 16.169 1.00 0.00 H new ATOM 0 HB3 ALA X 20 -20.110 5.006 15.658 1.00 0.00 H new ATOM 324 N VAL X 21 -18.389 5.051 18.695 1.00 0.00 N ATOM 325 CA VAL X 21 -17.349 4.209 19.272 1.00 0.00 C ATOM 326 C VAL X 21 -17.741 2.740 19.166 1.00 0.00 C ATOM 327 O VAL X 21 -17.535 1.961 20.097 1.00 0.00 O ATOM 328 CB VAL X 21 -17.129 4.578 20.739 1.00 0.00 C ATOM 329 CG1 VAL X 21 -16.721 6.049 20.837 1.00 0.00 C ATOM 330 CG2 VAL X 21 -18.425 4.355 21.520 1.00 0.00 C ATOM 0 H VAL X 21 -19.234 5.130 19.260 1.00 0.00 H new ATOM 0 HA VAL X 21 -16.424 4.371 18.719 1.00 0.00 H new ATOM 0 HB VAL X 21 -16.340 3.953 21.158 1.00 0.00 H new ATOM 0 HG11 VAL X 21 -16.564 6.314 21.883 1.00 0.00 H new ATOM 0 HG12 VAL X 21 -15.798 6.209 20.279 1.00 0.00 H new ATOM 0 HG13 VAL X 21 -17.510 6.674 20.419 1.00 0.00 H new ATOM 0 HG21 VAL X 21 -18.269 4.618 22.566 1.00 0.00 H new ATOM 0 HG22 VAL X 21 -19.214 4.981 21.102 1.00 0.00 H new ATOM 0 HG23 VAL X 21 -18.717 3.307 21.449 1.00 0.00 H new ATOM 340 N ASP X 22 -18.309 2.372 18.024 1.00 0.00 N ATOM 341 CA ASP X 22 -18.732 0.997 17.795 1.00 0.00 C ATOM 342 C ASP X 22 -19.218 0.829 16.361 1.00 0.00 C ATOM 343 O ASP X 22 -20.327 0.353 16.121 1.00 0.00 O ATOM 344 CB ASP X 22 -19.857 0.629 18.763 1.00 0.00 C ATOM 345 CG ASP X 22 -20.951 1.689 18.715 1.00 0.00 C ATOM 346 OD1 ASP X 22 -20.612 2.860 18.672 1.00 0.00 O ATOM 347 OD2 ASP X 22 -22.113 1.315 18.720 1.00 0.00 O ATOM 0 H ASP X 22 -18.487 3.005 17.244 1.00 0.00 H new ATOM 0 HA ASP X 22 -17.881 0.337 17.963 1.00 0.00 H new ATOM 0 HB2 ASP X 22 -20.270 -0.345 18.500 1.00 0.00 H new ATOM 0 HB3 ASP X 22 -19.464 0.546 19.776 1.00 0.00 H new ATOM 352 N ALA X 23 -18.380 1.229 15.411 1.00 0.00 N ATOM 353 CA ALA X 23 -18.730 1.124 14.001 1.00 0.00 C ATOM 354 C ALA X 23 -18.823 -0.338 13.577 1.00 0.00 C ATOM 355 O ALA X 23 -19.577 -0.682 12.668 1.00 0.00 O ATOM 356 CB ALA X 23 -17.679 1.839 13.150 1.00 0.00 C ATOM 0 H ALA X 23 -17.458 1.627 15.591 1.00 0.00 H new ATOM 0 HA ALA X 23 -19.702 1.594 13.851 1.00 0.00 H new ATOM 0 HB1 ALA X 23 -17.947 1.757 12.097 1.00 0.00 H new ATOM 0 HB2 ALA X 23 -17.636 2.891 13.433 1.00 0.00 H new ATOM 0 HB3 ALA X 23 -16.704 1.379 13.314 1.00 0.00 H new ATOM 362 N ALA X 24 -18.050 -1.193 14.238 1.00 0.00 N ATOM 363 CA ALA X 24 -18.054 -2.615 13.912 1.00 0.00 C ATOM 364 C ALA X 24 -19.454 -3.200 14.070 1.00 0.00 C ATOM 365 O ALA X 24 -19.928 -3.942 13.210 1.00 0.00 O ATOM 366 CB ALA X 24 -17.083 -3.363 14.827 1.00 0.00 C ATOM 0 H ALA X 24 -17.419 -0.930 14.995 1.00 0.00 H new ATOM 0 HA ALA X 24 -17.740 -2.730 12.875 1.00 0.00 H new ATOM 0 HB1 ALA X 24 -17.092 -4.424 14.577 1.00 0.00 H new ATOM 0 HB2 ALA X 24 -16.077 -2.967 14.691 1.00 0.00 H new ATOM 0 HB3 ALA X 24 -17.388 -3.232 15.865 1.00 0.00 H new ATOM 372 N THR X 25 -20.110 -2.863 15.176 1.00 0.00 N ATOM 373 CA THR X 25 -21.455 -3.364 15.439 1.00 0.00 C ATOM 374 C THR X 25 -22.486 -2.639 14.577 1.00 0.00 C ATOM 375 O THR X 25 -23.378 -3.264 14.003 1.00 0.00 O ATOM 376 CB THR X 25 -21.802 -3.172 16.917 1.00 0.00 C ATOM 377 OG1 THR X 25 -20.692 -3.557 17.716 1.00 0.00 O ATOM 378 CG2 THR X 25 -23.015 -4.032 17.276 1.00 0.00 C ATOM 0 H THR X 25 -19.736 -2.250 15.900 1.00 0.00 H new ATOM 0 HA THR X 25 -21.477 -4.425 15.190 1.00 0.00 H new ATOM 0 HB THR X 25 -22.037 -2.124 17.102 1.00 0.00 H new ATOM 0 HG1 THR X 25 -20.912 -3.433 18.663 1.00 0.00 H new ATOM 0 HG21 THR X 25 -23.260 -3.894 18.329 1.00 0.00 H new ATOM 0 HG22 THR X 25 -23.866 -3.735 16.663 1.00 0.00 H new ATOM 0 HG23 THR X 25 -22.784 -5.081 17.092 1.00 0.00 H new ATOM 386 N ALA X 26 -22.362 -1.319 14.498 1.00 0.00 N ATOM 387 CA ALA X 26 -23.295 -0.516 13.713 1.00 0.00 C ATOM 388 C ALA X 26 -23.170 -0.829 12.224 1.00 0.00 C ATOM 389 O ALA X 26 -24.169 -0.884 11.507 1.00 0.00 O ATOM 390 CB ALA X 26 -23.024 0.971 13.943 1.00 0.00 C ATOM 0 H ALA X 26 -21.630 -0.784 14.964 1.00 0.00 H new ATOM 0 HA ALA X 26 -24.307 -0.761 14.036 1.00 0.00 H new ATOM 0 HB1 ALA X 26 -23.724 1.564 13.354 1.00 0.00 H new ATOM 0 HB2 ALA X 26 -23.151 1.205 15.000 1.00 0.00 H new ATOM 0 HB3 ALA X 26 -22.004 1.206 13.639 1.00 0.00 H new ATOM 396 N GLU X 27 -21.939 -1.023 11.763 1.00 0.00 N ATOM 397 CA GLU X 27 -21.702 -1.318 10.354 1.00 0.00 C ATOM 398 C GLU X 27 -22.458 -2.572 9.925 1.00 0.00 C ATOM 399 O GLU X 27 -23.113 -2.584 8.884 1.00 0.00 O ATOM 400 CB GLU X 27 -20.204 -1.509 10.105 1.00 0.00 C ATOM 401 CG GLU X 27 -19.952 -1.668 8.604 1.00 0.00 C ATOM 402 CD GLU X 27 -19.840 -0.296 7.947 1.00 0.00 C ATOM 403 OE1 GLU X 27 -18.985 0.470 8.361 1.00 0.00 O ATOM 404 OE2 GLU X 27 -20.612 -0.031 7.041 1.00 0.00 O ATOM 0 H GLU X 27 -21.097 -0.982 12.338 1.00 0.00 H new ATOM 0 HA GLU X 27 -22.065 -0.476 9.764 1.00 0.00 H new ATOM 0 HB2 GLU X 27 -19.649 -0.653 10.489 1.00 0.00 H new ATOM 0 HB3 GLU X 27 -19.845 -2.388 10.640 1.00 0.00 H new ATOM 0 HG2 GLU X 27 -19.036 -2.236 8.438 1.00 0.00 H new ATOM 0 HG3 GLU X 27 -20.765 -2.234 8.148 1.00 0.00 H new ATOM 411 N LYS X 28 -22.362 -3.626 10.729 1.00 0.00 N ATOM 412 CA LYS X 28 -23.042 -4.878 10.411 1.00 0.00 C ATOM 413 C LYS X 28 -24.557 -4.694 10.426 1.00 0.00 C ATOM 414 O LYS X 28 -25.263 -5.209 9.559 1.00 0.00 O ATOM 415 CB LYS X 28 -22.651 -5.956 11.423 1.00 0.00 C ATOM 416 CG LYS X 28 -23.218 -7.305 10.975 1.00 0.00 C ATOM 417 CD LYS X 28 -23.277 -8.257 12.171 1.00 0.00 C ATOM 418 CE LYS X 28 -21.862 -8.505 12.697 1.00 0.00 C ATOM 419 NZ LYS X 28 -21.481 -7.411 13.634 1.00 0.00 N ATOM 0 H LYS X 28 -21.826 -3.640 11.597 1.00 0.00 H new ATOM 0 HA LYS X 28 -22.737 -5.185 9.411 1.00 0.00 H new ATOM 0 HB2 LYS X 28 -21.566 -6.015 11.507 1.00 0.00 H new ATOM 0 HB3 LYS X 28 -23.033 -5.699 12.411 1.00 0.00 H new ATOM 0 HG2 LYS X 28 -24.214 -7.171 10.554 1.00 0.00 H new ATOM 0 HG3 LYS X 28 -22.594 -7.730 10.189 1.00 0.00 H new ATOM 0 HD2 LYS X 28 -23.899 -7.831 12.958 1.00 0.00 H new ATOM 0 HD3 LYS X 28 -23.737 -9.200 11.876 1.00 0.00 H new ATOM 0 HE2 LYS X 28 -21.816 -9.467 13.207 1.00 0.00 H new ATOM 0 HE3 LYS X 28 -21.157 -8.549 11.867 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 -20.747 -6.818 13.196 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 -22.316 -6.828 13.845 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 -21.113 -7.822 14.516 1.00 0.00 H new ATOM 433 N VAL X 29 -25.052 -3.962 11.418 1.00 0.00 N ATOM 434 CA VAL X 29 -26.487 -3.725 11.539 1.00 0.00 C ATOM 435 C VAL X 29 -26.998 -2.862 10.387 1.00 0.00 C ATOM 436 O VAL X 29 -28.067 -3.120 9.835 1.00 0.00 O ATOM 437 CB VAL X 29 -26.790 -3.035 12.869 1.00 0.00 C ATOM 438 CG1 VAL X 29 -28.298 -2.815 13.001 1.00 0.00 C ATOM 439 CG2 VAL X 29 -26.302 -3.917 14.021 1.00 0.00 C ATOM 0 H VAL X 29 -24.486 -3.525 12.145 1.00 0.00 H new ATOM 0 HA VAL X 29 -26.995 -4.689 11.502 1.00 0.00 H new ATOM 0 HB VAL X 29 -26.279 -2.073 12.903 1.00 0.00 H new ATOM 0 HG11 VAL X 29 -28.512 -2.323 13.950 1.00 0.00 H new ATOM 0 HG12 VAL X 29 -28.648 -2.189 12.180 1.00 0.00 H new ATOM 0 HG13 VAL X 29 -28.810 -3.777 12.967 1.00 0.00 H new ATOM 0 HG21 VAL X 29 -26.517 -3.427 14.971 1.00 0.00 H new ATOM 0 HG22 VAL X 29 -26.814 -4.879 13.985 1.00 0.00 H new ATOM 0 HG23 VAL X 29 -25.227 -4.074 13.929 1.00 0.00 H new ATOM 449 N PHE X 30 -26.233 -1.834 10.034 1.00 0.00 N ATOM 450 CA PHE X 30 -26.627 -0.938 8.951 1.00 0.00 C ATOM 451 C PHE X 30 -26.648 -1.673 7.613 1.00 0.00 C ATOM 452 O PHE X 30 -27.520 -1.433 6.778 1.00 0.00 O ATOM 453 CB PHE X 30 -25.658 0.243 8.872 1.00 0.00 C ATOM 454 CG PHE X 30 -26.225 1.301 7.956 1.00 0.00 C ATOM 455 CD1 PHE X 30 -26.119 1.155 6.568 1.00 0.00 C ATOM 456 CD2 PHE X 30 -26.858 2.429 8.494 1.00 0.00 C ATOM 457 CE1 PHE X 30 -26.645 2.135 5.718 1.00 0.00 C ATOM 458 CE2 PHE X 30 -27.383 3.410 7.644 1.00 0.00 C ATOM 459 CZ PHE X 30 -27.277 3.263 6.256 1.00 0.00 C ATOM 0 H PHE X 30 -25.344 -1.601 10.477 1.00 0.00 H new ATOM 0 HA PHE X 30 -27.632 -0.573 9.161 1.00 0.00 H new ATOM 0 HB2 PHE X 30 -25.493 0.658 9.866 1.00 0.00 H new ATOM 0 HB3 PHE X 30 -24.689 -0.092 8.502 1.00 0.00 H new ATOM 0 HD1 PHE X 30 -25.631 0.286 6.153 1.00 0.00 H new ATOM 0 HD2 PHE X 30 -26.941 2.542 9.565 1.00 0.00 H new ATOM 0 HE1 PHE X 30 -26.563 2.021 4.647 1.00 0.00 H new ATOM 0 HE2 PHE X 30 -27.870 4.280 8.059 1.00 0.00 H new ATOM 0 HZ PHE X 30 -27.682 4.019 5.600 1.00 0.00 H new ATOM 469 N LYS X 31 -25.685 -2.568 7.414 1.00 0.00 N ATOM 470 CA LYS X 31 -25.609 -3.326 6.172 1.00 0.00 C ATOM 471 C LYS X 31 -26.864 -4.171 5.986 1.00 0.00 C ATOM 472 O LYS X 31 -27.382 -4.293 4.876 1.00 0.00 O ATOM 473 CB LYS X 31 -24.376 -4.232 6.183 1.00 0.00 C ATOM 474 CG LYS X 31 -23.120 -3.388 5.949 1.00 0.00 C ATOM 475 CD LYS X 31 -22.695 -3.493 4.483 1.00 0.00 C ATOM 476 CE LYS X 31 -23.686 -2.726 3.605 1.00 0.00 C ATOM 477 NZ LYS X 31 -23.067 -2.453 2.277 1.00 0.00 N ATOM 0 H LYS X 31 -24.953 -2.784 8.091 1.00 0.00 H new ATOM 0 HA LYS X 31 -25.531 -2.622 5.343 1.00 0.00 H new ATOM 0 HB2 LYS X 31 -24.304 -4.754 7.137 1.00 0.00 H new ATOM 0 HB3 LYS X 31 -24.465 -4.994 5.409 1.00 0.00 H new ATOM 0 HG2 LYS X 31 -23.316 -2.347 6.207 1.00 0.00 H new ATOM 0 HG3 LYS X 31 -22.314 -3.731 6.597 1.00 0.00 H new ATOM 0 HD2 LYS X 31 -21.691 -3.088 4.355 1.00 0.00 H new ATOM 0 HD3 LYS X 31 -22.658 -4.539 4.179 1.00 0.00 H new ATOM 0 HE2 LYS X 31 -24.601 -3.305 3.479 1.00 0.00 H new ATOM 0 HE3 LYS X 31 -23.966 -1.789 4.087 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 -23.797 -2.118 1.616 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 -22.332 -1.724 2.380 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 -22.640 -3.326 1.907 1.00 0.00 H new ATOM 491 N GLN X 32 -27.352 -4.750 7.079 1.00 0.00 N ATOM 492 CA GLN X 32 -28.552 -5.574 7.016 1.00 0.00 C ATOM 493 C GLN X 32 -29.719 -4.758 6.474 1.00 0.00 C ATOM 494 O GLN X 32 -30.467 -5.221 5.613 1.00 0.00 O ATOM 495 CB GLN X 32 -28.898 -6.112 8.405 1.00 0.00 C ATOM 496 CG GLN X 32 -27.854 -7.150 8.824 1.00 0.00 C ATOM 497 CD GLN X 32 -28.464 -8.133 9.817 1.00 0.00 C ATOM 498 OE1 GLN X 32 -28.900 -9.217 9.431 1.00 0.00 O ATOM 499 NE2 GLN X 32 -28.519 -7.817 11.081 1.00 0.00 N ATOM 0 H GLN X 32 -26.940 -4.665 8.008 1.00 0.00 H new ATOM 0 HA GLN X 32 -28.363 -6.414 6.348 1.00 0.00 H new ATOM 0 HB2 GLN X 32 -28.925 -5.296 9.127 1.00 0.00 H new ATOM 0 HB3 GLN X 32 -29.891 -6.562 8.396 1.00 0.00 H new ATOM 0 HG2 GLN X 32 -27.489 -7.685 7.947 1.00 0.00 H new ATOM 0 HG3 GLN X 32 -26.995 -6.652 9.274 1.00 0.00 H new ATOM 0 HE21 GLN X 32 -28.157 -6.918 11.398 1.00 0.00 H new ATOM 0 HE22 GLN X 32 -28.924 -8.469 11.753 1.00 0.00 H new ATOM 508 N TYR X 33 -29.862 -3.533 6.973 1.00 0.00 N ATOM 509 CA TYR X 33 -30.934 -2.658 6.516 1.00 0.00 C ATOM 510 C TYR X 33 -30.715 -2.294 5.053 1.00 0.00 C ATOM 511 O TYR X 33 -31.663 -2.222 4.271 1.00 0.00 O ATOM 512 CB TYR X 33 -30.981 -1.386 7.367 1.00 0.00 C ATOM 513 CG TYR X 33 -32.229 -1.391 8.219 1.00 0.00 C ATOM 514 CD1 TYR X 33 -33.415 -0.829 7.729 1.00 0.00 C ATOM 515 CD2 TYR X 33 -32.201 -1.958 9.498 1.00 0.00 C ATOM 516 CE1 TYR X 33 -34.571 -0.834 8.519 1.00 0.00 C ATOM 517 CE2 TYR X 33 -33.357 -1.963 10.288 1.00 0.00 C ATOM 518 CZ TYR X 33 -34.541 -1.402 9.798 1.00 0.00 C ATOM 519 OH TYR X 33 -35.680 -1.408 10.577 1.00 0.00 O ATOM 0 H TYR X 33 -29.255 -3.128 7.686 1.00 0.00 H new ATOM 0 HA TYR X 33 -31.884 -3.183 6.618 1.00 0.00 H new ATOM 0 HB2 TYR X 33 -30.096 -1.328 8.001 1.00 0.00 H new ATOM 0 HB3 TYR X 33 -30.971 -0.506 6.724 1.00 0.00 H new ATOM 0 HD1 TYR X 33 -33.438 -0.392 6.742 1.00 0.00 H new ATOM 0 HD2 TYR X 33 -31.287 -2.392 9.876 1.00 0.00 H new ATOM 0 HE1 TYR X 33 -35.485 -0.400 8.142 1.00 0.00 H new ATOM 0 HE2 TYR X 33 -33.335 -2.400 11.275 1.00 0.00 H new ATOM 0 HH TYR X 33 -35.487 -1.841 11.435 1.00 0.00 H new ATOM 529 N ALA X 34 -29.454 -2.085 4.684 1.00 0.00 N ATOM 530 CA ALA X 34 -29.122 -1.754 3.308 1.00 0.00 C ATOM 531 C ALA X 34 -29.354 -2.975 2.431 1.00 0.00 C ATOM 532 O ALA X 34 -29.907 -2.873 1.337 1.00 0.00 O ATOM 533 CB ALA X 34 -27.660 -1.313 3.207 1.00 0.00 C ATOM 0 H ALA X 34 -28.654 -2.139 5.315 1.00 0.00 H new ATOM 0 HA ALA X 34 -29.757 -0.934 2.972 1.00 0.00 H new ATOM 0 HB1 ALA X 34 -27.425 -1.068 2.171 1.00 0.00 H new ATOM 0 HB2 ALA X 34 -27.501 -0.435 3.833 1.00 0.00 H new ATOM 0 HB3 ALA X 34 -27.012 -2.122 3.545 1.00 0.00 H new ATOM 539 N ASN X 35 -28.942 -4.135 2.935 1.00 0.00 N ATOM 540 CA ASN X 35 -29.127 -5.378 2.200 1.00 0.00 C ATOM 541 C ASN X 35 -30.615 -5.632 1.992 1.00 0.00 C ATOM 542 O ASN X 35 -31.045 -6.022 0.906 1.00 0.00 O ATOM 543 CB ASN X 35 -28.506 -6.544 2.972 1.00 0.00 C ATOM 544 CG ASN X 35 -28.661 -7.835 2.175 1.00 0.00 C ATOM 545 OD1 ASN X 35 -28.895 -8.897 2.752 1.00 0.00 O ATOM 546 ND2 ASN X 35 -28.543 -7.807 0.876 1.00 0.00 N ATOM 0 H ASN X 35 -28.483 -4.238 3.840 1.00 0.00 H new ATOM 0 HA ASN X 35 -28.635 -5.295 1.231 1.00 0.00 H new ATOM 0 HB2 ASN X 35 -27.451 -6.346 3.159 1.00 0.00 H new ATOM 0 HB3 ASN X 35 -28.989 -6.646 3.944 1.00 0.00 H new ATOM 0 HD21 ASN X 35 -28.645 -8.666 0.336 1.00 0.00 H new ATOM 0 HD22 ASN X 35 -28.349 -6.926 0.400 1.00 0.00 H new ATOM 553 N ASP X 36 -31.400 -5.393 3.040 1.00 0.00 N ATOM 554 CA ASP X 36 -32.842 -5.583 2.958 1.00 0.00 C ATOM 555 C ASP X 36 -33.428 -4.640 1.913 1.00 0.00 C ATOM 556 O ASP X 36 -34.467 -4.922 1.317 1.00 0.00 O ATOM 557 CB ASP X 36 -33.485 -5.311 4.319 1.00 0.00 C ATOM 558 CG ASP X 36 -34.903 -5.872 4.350 1.00 0.00 C ATOM 559 OD1 ASP X 36 -35.106 -6.944 3.805 1.00 0.00 O ATOM 560 OD2 ASP X 36 -35.763 -5.222 4.921 1.00 0.00 O ATOM 0 H ASP X 36 -31.064 -5.070 3.947 1.00 0.00 H new ATOM 0 HA ASP X 36 -33.048 -6.613 2.668 1.00 0.00 H new ATOM 0 HB2 ASP X 36 -32.888 -5.766 5.109 1.00 0.00 H new ATOM 0 HB3 ASP X 36 -33.506 -4.238 4.512 1.00 0.00 H new ATOM 565 N ASN X 37 -32.740 -3.523 1.690 1.00 0.00 N ATOM 566 CA ASN X 37 -33.183 -2.543 0.705 1.00 0.00 C ATOM 567 C ASN X 37 -32.664 -2.928 -0.675 1.00 0.00 C ATOM 568 O ASN X 37 -32.977 -2.279 -1.673 1.00 0.00 O ATOM 569 CB ASN X 37 -32.665 -1.152 1.078 1.00 0.00 C ATOM 570 CG ASN X 37 -33.819 -0.270 1.545 1.00 0.00 C ATOM 571 OD1 ASN X 37 -33.934 0.023 2.735 1.00 0.00 O ATOM 572 ND2 ASN X 37 -34.684 0.174 0.675 1.00 0.00 N ATOM 0 H ASN X 37 -31.878 -3.276 2.176 1.00 0.00 H new ATOM 0 HA ASN X 37 -34.273 -2.526 0.690 1.00 0.00 H new ATOM 0 HB2 ASN X 37 -31.917 -1.233 1.867 1.00 0.00 H new ATOM 0 HB3 ASN X 37 -32.173 -0.696 0.219 1.00 0.00 H new ATOM 0 HD21 ASN X 37 -35.457 0.765 0.981 1.00 0.00 H new ATOM 0 HD22 ASN X 37 -34.587 -0.070 -0.311 1.00 0.00 H new ATOM 579 N GLY X 38 -31.872 -3.994 -0.717 1.00 0.00 N ATOM 580 CA GLY X 38 -31.313 -4.472 -1.974 1.00 0.00 C ATOM 581 C GLY X 38 -29.918 -3.905 -2.218 1.00 0.00 C ATOM 582 O GLY X 38 -29.431 -3.916 -3.349 1.00 0.00 O ATOM 0 H GLY X 38 -31.604 -4.541 0.101 1.00 0.00 H new ATOM 0 HA2 GLY X 38 -31.267 -5.561 -1.962 1.00 0.00 H new ATOM 0 HA3 GLY X 38 -31.970 -4.190 -2.796 1.00 0.00 H new ATOM 586 N VAL X 39 -29.269 -3.418 -1.162 1.00 0.00 N ATOM 587 CA VAL X 39 -27.927 -2.867 -1.312 1.00 0.00 C ATOM 588 C VAL X 39 -26.884 -3.963 -1.124 1.00 0.00 C ATOM 589 O VAL X 39 -26.665 -4.442 -0.011 1.00 0.00 O ATOM 590 CB VAL X 39 -27.689 -1.755 -0.288 1.00 0.00 C ATOM 591 CG1 VAL X 39 -26.255 -1.233 -0.424 1.00 0.00 C ATOM 592 CG2 VAL X 39 -28.675 -0.610 -0.536 1.00 0.00 C ATOM 0 H VAL X 39 -29.642 -3.394 -0.213 1.00 0.00 H new ATOM 0 HA VAL X 39 -27.837 -2.452 -2.316 1.00 0.00 H new ATOM 0 HB VAL X 39 -27.838 -2.150 0.717 1.00 0.00 H new ATOM 0 HG11 VAL X 39 -26.085 -0.441 0.305 1.00 0.00 H new ATOM 0 HG12 VAL X 39 -25.553 -2.047 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL X 39 -26.105 -0.839 -1.429 1.00 0.00 H new ATOM 0 HG21 VAL X 39 -28.505 0.181 0.194 1.00 0.00 H new ATOM 0 HG22 VAL X 39 -28.528 -0.215 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL X 39 -29.695 -0.981 -0.438 1.00 0.00 H new ATOM 602 N ASP X 40 -26.246 -4.355 -2.220 1.00 0.00 N ATOM 603 CA ASP X 40 -25.228 -5.396 -2.171 1.00 0.00 C ATOM 604 C ASP X 40 -23.930 -4.911 -2.809 1.00 0.00 C ATOM 605 O ASP X 40 -23.903 -3.881 -3.483 1.00 0.00 O ATOM 606 CB ASP X 40 -25.725 -6.647 -2.900 1.00 0.00 C ATOM 607 CG ASP X 40 -24.541 -7.461 -3.412 1.00 0.00 C ATOM 608 OD1 ASP X 40 -24.016 -8.253 -2.646 1.00 0.00 O ATOM 609 OD2 ASP X 40 -24.175 -7.279 -4.561 1.00 0.00 O ATOM 0 H ASP X 40 -26.415 -3.970 -3.149 1.00 0.00 H new ATOM 0 HA ASP X 40 -25.034 -5.638 -1.126 1.00 0.00 H new ATOM 0 HB2 ASP X 40 -26.329 -7.254 -2.226 1.00 0.00 H new ATOM 0 HB3 ASP X 40 -26.367 -6.361 -3.733 1.00 0.00 H new ATOM 614 N GLY X 41 -22.861 -5.667 -2.597 1.00 0.00 N ATOM 615 CA GLY X 41 -21.562 -5.320 -3.157 1.00 0.00 C ATOM 616 C GLY X 41 -20.437 -5.977 -2.366 1.00 0.00 C ATOM 617 O GLY X 41 -20.669 -6.918 -1.607 1.00 0.00 O ATOM 0 H GLY X 41 -22.868 -6.523 -2.042 1.00 0.00 H new ATOM 0 HA2 GLY X 41 -21.514 -5.638 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY X 41 -21.435 -4.237 -3.148 1.00 0.00 H new ATOM 621 N GLU X 42 -19.218 -5.474 -2.543 1.00 0.00 N ATOM 622 CA GLU X 42 -18.071 -6.025 -1.831 1.00 0.00 C ATOM 623 C GLU X 42 -17.689 -5.115 -0.670 1.00 0.00 C ATOM 624 O GLU X 42 -17.291 -3.969 -0.872 1.00 0.00 O ATOM 625 CB GLU X 42 -16.882 -6.173 -2.784 1.00 0.00 C ATOM 626 CG GLU X 42 -17.151 -7.318 -3.764 1.00 0.00 C ATOM 627 CD GLU X 42 -17.298 -6.767 -5.179 1.00 0.00 C ATOM 628 OE1 GLU X 42 -16.282 -6.579 -5.827 1.00 0.00 O ATOM 629 OE2 GLU X 42 -18.423 -6.543 -5.592 1.00 0.00 O ATOM 0 H GLU X 42 -19.001 -4.696 -3.165 1.00 0.00 H new ATOM 0 HA GLU X 42 -18.340 -7.007 -1.441 1.00 0.00 H new ATOM 0 HB2 GLU X 42 -16.722 -5.243 -3.330 1.00 0.00 H new ATOM 0 HB3 GLU X 42 -15.972 -6.371 -2.218 1.00 0.00 H new ATOM 0 HG2 GLU X 42 -16.334 -8.038 -3.728 1.00 0.00 H new ATOM 0 HG3 GLU X 42 -18.058 -7.850 -3.475 1.00 0.00 H new ATOM 636 N TRP X 43 -17.816 -5.631 0.545 1.00 0.00 N ATOM 637 CA TRP X 43 -17.492 -4.849 1.729 1.00 0.00 C ATOM 638 C TRP X 43 -16.163 -5.294 2.325 1.00 0.00 C ATOM 639 O TRP X 43 -15.781 -6.460 2.219 1.00 0.00 O ATOM 640 CB TRP X 43 -18.602 -5.012 2.769 1.00 0.00 C ATOM 641 CG TRP X 43 -19.856 -5.461 2.086 1.00 0.00 C ATOM 642 CD1 TRP X 43 -20.973 -4.711 1.936 1.00 0.00 C ATOM 643 CD2 TRP X 43 -20.137 -6.744 1.456 1.00 0.00 C ATOM 644 NE1 TRP X 43 -21.921 -5.453 1.252 1.00 0.00 N ATOM 645 CE2 TRP X 43 -21.453 -6.713 0.936 1.00 0.00 C ATOM 646 CE3 TRP X 43 -19.385 -7.921 1.288 1.00 0.00 C ATOM 647 CZ2 TRP X 43 -22.003 -7.810 0.273 1.00 0.00 C ATOM 648 CZ3 TRP X 43 -19.936 -9.027 0.621 1.00 0.00 C ATOM 649 CH2 TRP X 43 -21.243 -8.972 0.114 1.00 0.00 C ATOM 0 H TRP X 43 -18.138 -6.580 0.735 1.00 0.00 H new ATOM 0 HA TRP X 43 -17.407 -3.801 1.441 1.00 0.00 H new ATOM 0 HB2 TRP X 43 -18.305 -5.740 3.524 1.00 0.00 H new ATOM 0 HB3 TRP X 43 -18.774 -4.068 3.286 1.00 0.00 H new ATOM 0 HD1 TRP X 43 -21.103 -3.700 2.292 1.00 0.00 H new ATOM 0 HE1 TRP X 43 -22.851 -5.111 1.011 1.00 0.00 H new ATOM 0 HE3 TRP X 43 -18.378 -7.974 1.674 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 -23.010 -7.762 -0.115 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 -19.350 -9.926 0.497 1.00 0.00 H new ATOM 0 HH2 TRP X 43 -21.661 -9.826 -0.398 1.00 0.00 H new ATOM 660 N THR X 44 -15.461 -4.355 2.951 1.00 0.00 N ATOM 661 CA THR X 44 -14.172 -4.658 3.559 1.00 0.00 C ATOM 662 C THR X 44 -13.861 -3.671 4.680 1.00 0.00 C ATOM 663 O THR X 44 -14.519 -2.639 4.812 1.00 0.00 O ATOM 664 CB THR X 44 -13.070 -4.599 2.499 1.00 0.00 C ATOM 665 OG1 THR X 44 -13.593 -5.037 1.253 1.00 0.00 O ATOM 666 CG2 THR X 44 -11.909 -5.505 2.913 1.00 0.00 C ATOM 0 H THR X 44 -15.761 -3.385 3.050 1.00 0.00 H new ATOM 0 HA THR X 44 -14.216 -5.662 3.981 1.00 0.00 H new ATOM 0 HB THR X 44 -12.711 -3.574 2.405 1.00 0.00 H new ATOM 0 HG1 THR X 44 -12.890 -4.999 0.571 1.00 0.00 H new ATOM 0 HG21 THR X 44 -11.126 -5.461 2.156 1.00 0.00 H new ATOM 0 HG22 THR X 44 -11.509 -5.169 3.870 1.00 0.00 H new ATOM 0 HG23 THR X 44 -12.264 -6.531 3.008 1.00 0.00 H new ATOM 674 N TYR X 45 -12.857 -3.996 5.485 1.00 0.00 N ATOM 675 CA TYR X 45 -12.469 -3.133 6.592 1.00 0.00 C ATOM 676 C TYR X 45 -11.292 -2.247 6.196 1.00 0.00 C ATOM 677 O TYR X 45 -10.148 -2.700 6.158 1.00 0.00 O ATOM 678 CB TYR X 45 -12.082 -3.982 7.804 1.00 0.00 C ATOM 679 CG TYR X 45 -13.308 -4.256 8.641 1.00 0.00 C ATOM 680 CD1 TYR X 45 -14.503 -4.649 8.026 1.00 0.00 C ATOM 681 CD2 TYR X 45 -13.250 -4.116 10.033 1.00 0.00 C ATOM 682 CE1 TYR X 45 -15.639 -4.903 8.802 1.00 0.00 C ATOM 683 CE2 TYR X 45 -14.387 -4.370 10.809 1.00 0.00 C ATOM 684 CZ TYR X 45 -15.582 -4.763 10.194 1.00 0.00 C ATOM 685 OH TYR X 45 -16.702 -5.014 10.960 1.00 0.00 O ATOM 0 H TYR X 45 -12.300 -4.846 5.393 1.00 0.00 H new ATOM 0 HA TYR X 45 -13.318 -2.498 6.847 1.00 0.00 H new ATOM 0 HB2 TYR X 45 -11.636 -4.921 7.476 1.00 0.00 H new ATOM 0 HB3 TYR X 45 -11.331 -3.463 8.400 1.00 0.00 H new ATOM 0 HD1 TYR X 45 -14.548 -4.756 6.952 1.00 0.00 H new ATOM 0 HD2 TYR X 45 -12.329 -3.812 10.508 1.00 0.00 H new ATOM 0 HE1 TYR X 45 -16.560 -5.207 8.327 1.00 0.00 H new ATOM 0 HE2 TYR X 45 -14.343 -4.263 11.883 1.00 0.00 H new ATOM 0 HH TYR X 45 -16.490 -4.871 11.906 1.00 0.00 H new ATOM 695 N ASP X 46 -11.579 -0.982 5.904 1.00 0.00 N ATOM 696 CA ASP X 46 -10.532 -0.045 5.517 1.00 0.00 C ATOM 697 C ASP X 46 -10.231 0.916 6.661 1.00 0.00 C ATOM 698 O ASP X 46 -11.130 1.574 7.183 1.00 0.00 O ATOM 699 CB ASP X 46 -10.971 0.747 4.285 1.00 0.00 C ATOM 700 CG ASP X 46 -11.543 -0.200 3.236 1.00 0.00 C ATOM 701 OD1 ASP X 46 -12.508 -0.880 3.544 1.00 0.00 O ATOM 702 OD2 ASP X 46 -11.009 -0.231 2.139 1.00 0.00 O ATOM 0 H ASP X 46 -12.519 -0.586 5.928 1.00 0.00 H new ATOM 0 HA ASP X 46 -9.630 -0.610 5.282 1.00 0.00 H new ATOM 0 HB2 ASP X 46 -11.720 1.488 4.566 1.00 0.00 H new ATOM 0 HB3 ASP X 46 -10.123 1.292 3.871 1.00 0.00 H new ATOM 707 N ASP X 47 -8.962 0.987 7.050 1.00 0.00 N ATOM 708 CA ASP X 47 -8.558 1.869 8.139 1.00 0.00 C ATOM 709 C ASP X 47 -7.707 3.022 7.614 1.00 0.00 C ATOM 710 O ASP X 47 -7.705 4.113 8.184 1.00 0.00 O ATOM 711 CB ASP X 47 -7.761 1.080 9.180 1.00 0.00 C ATOM 712 CG ASP X 47 -6.544 0.437 8.526 1.00 0.00 C ATOM 713 OD1 ASP X 47 -6.734 -0.372 7.633 1.00 0.00 O ATOM 714 OD2 ASP X 47 -5.438 0.762 8.927 1.00 0.00 O ATOM 0 H ASP X 47 -8.202 0.450 6.632 1.00 0.00 H new ATOM 0 HA ASP X 47 -9.457 2.278 8.599 1.00 0.00 H new ATOM 0 HB2 ASP X 47 -7.444 1.742 9.986 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -8.392 0.312 9.628 1.00 0.00 H new ATOM 719 N ALA X 48 -6.983 2.772 6.528 1.00 0.00 N ATOM 720 CA ALA X 48 -6.127 3.796 5.941 1.00 0.00 C ATOM 721 C ALA X 48 -6.952 4.806 5.149 1.00 0.00 C ATOM 722 O ALA X 48 -6.500 5.922 4.891 1.00 0.00 O ATOM 723 CB ALA X 48 -5.092 3.146 5.020 1.00 0.00 C ATOM 0 H ALA X 48 -6.971 1.876 6.040 1.00 0.00 H new ATOM 0 HA ALA X 48 -5.618 4.320 6.750 1.00 0.00 H new ATOM 0 HB1 ALA X 48 -4.456 3.917 4.585 1.00 0.00 H new ATOM 0 HB2 ALA X 48 -4.479 2.452 5.595 1.00 0.00 H new ATOM 0 HB3 ALA X 48 -5.603 2.605 4.223 1.00 0.00 H new ATOM 729 N THR X 49 -8.160 4.410 4.763 1.00 0.00 N ATOM 730 CA THR X 49 -9.031 5.296 3.998 1.00 0.00 C ATOM 731 C THR X 49 -10.145 5.853 4.880 1.00 0.00 C ATOM 732 O THR X 49 -11.051 6.531 4.397 1.00 0.00 O ATOM 733 CB THR X 49 -9.640 4.539 2.816 1.00 0.00 C ATOM 734 OG1 THR X 49 -10.391 3.434 3.299 1.00 0.00 O ATOM 735 CG2 THR X 49 -8.521 4.039 1.900 1.00 0.00 C ATOM 0 H THR X 49 -8.556 3.492 4.964 1.00 0.00 H new ATOM 0 HA THR X 49 -8.432 6.127 3.626 1.00 0.00 H new ATOM 0 HB THR X 49 -10.296 5.205 2.255 1.00 0.00 H new ATOM 0 HG1 THR X 49 -11.345 3.660 3.294 1.00 0.00 H new ATOM 0 HG21 THR X 49 -8.954 3.500 1.058 1.00 0.00 H new ATOM 0 HG22 THR X 49 -7.947 4.888 1.530 1.00 0.00 H new ATOM 0 HG23 THR X 49 -7.864 3.372 2.459 1.00 0.00 H new ATOM 743 N LYS X 50 -10.068 5.567 6.176 1.00 0.00 N ATOM 744 CA LYS X 50 -11.074 6.049 7.118 1.00 0.00 C ATOM 745 C LYS X 50 -12.472 5.960 6.512 1.00 0.00 C ATOM 746 O LYS X 50 -13.405 6.609 6.987 1.00 0.00 O ATOM 747 CB LYS X 50 -10.774 7.500 7.500 1.00 0.00 C ATOM 748 CG LYS X 50 -11.230 7.755 8.938 1.00 0.00 C ATOM 749 CD LYS X 50 -11.377 9.261 9.169 1.00 0.00 C ATOM 750 CE LYS X 50 -9.993 9.913 9.178 1.00 0.00 C ATOM 751 NZ LYS X 50 -10.135 11.382 9.385 1.00 0.00 N ATOM 0 H LYS X 50 -9.325 5.008 6.596 1.00 0.00 H new ATOM 0 HA LYS X 50 -11.039 5.420 8.008 1.00 0.00 H new ATOM 0 HB2 LYS X 50 -9.706 7.699 7.405 1.00 0.00 H new ATOM 0 HB3 LYS X 50 -11.286 8.180 6.819 1.00 0.00 H new ATOM 0 HG2 LYS X 50 -12.180 7.254 9.124 1.00 0.00 H new ATOM 0 HG3 LYS X 50 -10.507 7.338 9.639 1.00 0.00 H new ATOM 0 HD2 LYS X 50 -11.993 9.702 8.385 1.00 0.00 H new ATOM 0 HD3 LYS X 50 -11.884 9.447 10.116 1.00 0.00 H new ATOM 0 HE2 LYS X 50 -9.381 9.481 9.970 1.00 0.00 H new ATOM 0 HE3 LYS X 50 -9.481 9.716 8.236 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 -9.194 11.824 9.391 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 -10.703 11.788 8.614 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 -10.607 11.560 10.294 1.00 0.00 H new ATOM 765 N THR X 51 -12.613 5.155 5.464 1.00 0.00 N ATOM 766 CA THR X 51 -13.907 4.994 4.808 1.00 0.00 C ATOM 767 C THR X 51 -14.049 3.587 4.236 1.00 0.00 C ATOM 768 O THR X 51 -13.077 3.000 3.762 1.00 0.00 O ATOM 769 CB THR X 51 -14.053 6.023 3.684 1.00 0.00 C ATOM 770 OG1 THR X 51 -15.407 6.063 3.254 1.00 0.00 O ATOM 771 CG2 THR X 51 -13.155 5.631 2.512 1.00 0.00 C ATOM 0 H THR X 51 -11.856 4.609 5.053 1.00 0.00 H new ATOM 0 HA THR X 51 -14.691 5.151 5.549 1.00 0.00 H new ATOM 0 HB THR X 51 -13.759 7.006 4.050 1.00 0.00 H new ATOM 0 HG1 THR X 51 -15.961 5.540 3.870 1.00 0.00 H new ATOM 0 HG21 THR X 51 -13.260 6.364 1.712 1.00 0.00 H new ATOM 0 HG22 THR X 51 -12.117 5.601 2.843 1.00 0.00 H new ATOM 0 HG23 THR X 51 -13.447 4.648 2.143 1.00 0.00 H new ATOM 779 N PHE X 52 -15.267 3.055 4.275 1.00 0.00 N ATOM 780 CA PHE X 52 -15.526 1.721 3.749 1.00 0.00 C ATOM 781 C PHE X 52 -16.351 1.832 2.472 1.00 0.00 C ATOM 782 O PHE X 52 -16.966 2.868 2.218 1.00 0.00 O ATOM 783 CB PHE X 52 -16.254 0.877 4.810 1.00 0.00 C ATOM 784 CG PHE X 52 -17.542 0.314 4.252 1.00 0.00 C ATOM 785 CD1 PHE X 52 -17.503 -0.751 3.347 1.00 0.00 C ATOM 786 CD2 PHE X 52 -18.772 0.858 4.642 1.00 0.00 C ATOM 787 CE1 PHE X 52 -18.692 -1.275 2.831 1.00 0.00 C ATOM 788 CE2 PHE X 52 -19.963 0.334 4.126 1.00 0.00 C ATOM 789 CZ PHE X 52 -19.923 -0.733 3.220 1.00 0.00 C ATOM 0 H PHE X 52 -16.085 3.525 4.663 1.00 0.00 H new ATOM 0 HA PHE X 52 -14.585 1.226 3.510 1.00 0.00 H new ATOM 0 HB2 PHE X 52 -15.608 0.063 5.141 1.00 0.00 H new ATOM 0 HB3 PHE X 52 -16.468 1.490 5.686 1.00 0.00 H new ATOM 0 HD1 PHE X 52 -16.554 -1.169 3.046 1.00 0.00 H new ATOM 0 HD2 PHE X 52 -18.802 1.681 5.340 1.00 0.00 H new ATOM 0 HE1 PHE X 52 -18.661 -2.098 2.132 1.00 0.00 H new ATOM 0 HE2 PHE X 52 -20.912 0.752 4.426 1.00 0.00 H new ATOM 0 HZ PHE X 52 -20.842 -1.138 2.821 1.00 0.00 H new ATOM 799 N THR X 53 -16.358 0.780 1.660 1.00 0.00 N ATOM 800 CA THR X 53 -17.113 0.829 0.416 1.00 0.00 C ATOM 801 C THR X 53 -17.735 -0.518 0.062 1.00 0.00 C ATOM 802 O THR X 53 -17.225 -1.574 0.436 1.00 0.00 O ATOM 803 CB THR X 53 -16.201 1.282 -0.726 1.00 0.00 C ATOM 804 OG1 THR X 53 -16.994 1.614 -1.858 1.00 0.00 O ATOM 805 CG2 THR X 53 -15.235 0.154 -1.089 1.00 0.00 C ATOM 0 H THR X 53 -15.863 -0.095 1.835 1.00 0.00 H new ATOM 0 HA THR X 53 -17.925 1.542 0.559 1.00 0.00 H new ATOM 0 HB THR X 53 -15.631 2.156 -0.412 1.00 0.00 H new ATOM 0 HG1 THR X 53 -17.867 1.944 -1.560 1.00 0.00 H new ATOM 0 HG21 THR X 53 -14.586 0.478 -1.903 1.00 0.00 H new ATOM 0 HG22 THR X 53 -14.628 -0.099 -0.220 1.00 0.00 H new ATOM 0 HG23 THR X 53 -15.801 -0.723 -1.404 1.00 0.00 H new ATOM 813 N VAL X 54 -18.834 -0.459 -0.687 1.00 0.00 N ATOM 814 CA VAL X 54 -19.528 -1.661 -1.129 1.00 0.00 C ATOM 815 C VAL X 54 -20.038 -1.453 -2.552 1.00 0.00 C ATOM 816 O VAL X 54 -20.772 -0.504 -2.825 1.00 0.00 O ATOM 817 CB VAL X 54 -20.697 -1.976 -0.185 1.00 0.00 C ATOM 818 CG1 VAL X 54 -21.501 -0.705 0.087 1.00 0.00 C ATOM 819 CG2 VAL X 54 -21.611 -3.026 -0.819 1.00 0.00 C ATOM 0 H VAL X 54 -19.262 0.412 -1.000 1.00 0.00 H new ATOM 0 HA VAL X 54 -18.838 -2.504 -1.113 1.00 0.00 H new ATOM 0 HB VAL X 54 -20.298 -2.362 0.753 1.00 0.00 H new ATOM 0 HG11 VAL X 54 -22.329 -0.935 0.757 1.00 0.00 H new ATOM 0 HG12 VAL X 54 -20.856 0.042 0.550 1.00 0.00 H new ATOM 0 HG13 VAL X 54 -21.892 -0.314 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL X 54 -22.438 -3.244 -0.143 1.00 0.00 H new ATOM 0 HG22 VAL X 54 -22.004 -2.645 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL X 54 -21.044 -3.938 -1.004 1.00 0.00 H new ATOM 829 N THR X 55 -19.633 -2.337 -3.459 1.00 0.00 N ATOM 830 CA THR X 55 -20.048 -2.225 -4.853 1.00 0.00 C ATOM 831 C THR X 55 -20.716 -3.507 -5.330 1.00 0.00 C ATOM 832 O THR X 55 -20.079 -4.558 -5.402 1.00 0.00 O ATOM 833 CB THR X 55 -18.833 -1.927 -5.733 1.00 0.00 C ATOM 834 OG1 THR X 55 -18.067 -0.887 -5.142 1.00 0.00 O ATOM 835 CG2 THR X 55 -19.301 -1.495 -7.123 1.00 0.00 C ATOM 0 H THR X 55 -19.025 -3.130 -3.257 1.00 0.00 H new ATOM 0 HA THR X 55 -20.768 -1.410 -4.928 1.00 0.00 H new ATOM 0 HB THR X 55 -18.219 -2.823 -5.823 1.00 0.00 H new ATOM 0 HG1 THR X 55 -17.287 -0.696 -5.704 1.00 0.00 H new ATOM 0 HG21 THR X 55 -18.434 -1.283 -7.749 1.00 0.00 H new ATOM 0 HG22 THR X 55 -19.888 -2.295 -7.574 1.00 0.00 H new ATOM 0 HG23 THR X 55 -19.915 -0.599 -7.038 1.00 0.00 H new ATOM 843 N GLU X 56 -22.000 -3.407 -5.661 1.00 0.00 N ATOM 844 CA GLU X 56 -22.757 -4.560 -6.137 1.00 0.00 C ATOM 845 C GLU X 56 -21.828 -5.602 -6.753 1.00 0.00 C ATOM 846 O GLU X 56 -21.230 -5.303 -7.774 1.00 0.00 O ATOM 847 CB GLU X 56 -23.783 -4.112 -7.178 1.00 0.00 C ATOM 848 CG GLU X 56 -24.457 -5.340 -7.792 1.00 0.00 C ATOM 849 CD GLU X 56 -25.840 -4.969 -8.314 1.00 0.00 C ATOM 850 OE1 GLU X 56 -26.760 -4.921 -7.515 1.00 0.00 O ATOM 851 OE2 GLU X 56 -25.959 -4.737 -9.506 1.00 0.00 O ATOM 852 OXT GLU X 56 -21.728 -6.682 -6.194 1.00 0.00 O ATOM 0 H GLU X 56 -22.537 -2.541 -5.609 1.00 0.00 H new ATOM 0 HA GLU X 56 -23.269 -5.009 -5.286 1.00 0.00 H new ATOM 0 HB2 GLU X 56 -24.530 -3.468 -6.714 1.00 0.00 H new ATOM 0 HB3 GLU X 56 -23.295 -3.525 -7.956 1.00 0.00 H new ATOM 0 HG2 GLU X 56 -23.846 -5.732 -8.605 1.00 0.00 H new ATOM 0 HG3 GLU X 56 -24.541 -6.130 -7.046 1.00 0.00 H new TER 859 GLU X 56