USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 419 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: X 1 MET N :NH3+ -108:sc= -0.29 (180deg=-2.27) USER MOD Set 1.2: X 50 LYS NZ :NH3+ -146:sc= -0.12 (180deg=0) USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 2 GLN : amide:sc= -4.35! C(o=-4.4!,f=-2.2!) USER MOD Single : X 3 TYR OH : rot 69:sc= -5.85! USER MOD Single : X 4 LYS NZ :NH3+ 144:sc= -0.558 (180deg=-1.31!) USER MOD Single : X 8 ASN : amide:sc= -3.32! C(o=-3.3!,f=-0.37!) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot 8:sc= 0.747 USER MOD Single : X 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 16 THR OG1 : rot -159:sc= 1.36 USER MOD Single : X 17 THR OG1 : rot 180:sc= 0 USER MOD Single : X 18 THR OG1 : rot 180:sc= 0 USER MOD Single : X 25 THR OG1 : rot 59:sc= 0.686 USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 31 LYS NZ :NH3+ 179:sc= 0.313 (180deg=0.313) USER MOD Single : X 32 GLN : amide:sc= -0.0283 K(o=-0.028,f=-1.9!) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc=-0.00117 X(o=-0.0012,f=-0.33) USER MOD Single : X 37 ASN : amide:sc= -0.177 X(o=-0.18,f=0.16) USER MOD Single : X 44 THR OG1 : rot 180:sc=-0.00175 USER MOD Single : X 45 TYR OH : rot 180:sc= 0 USER MOD Single : X 49 THR OG1 : rot 180:sc= 0 USER MOD Single : X 51 THR OG1 : rot 67:sc= 0.848 USER MOD Single : X 53 THR OG1 : rot 19:sc= -0.58 USER MOD Single : X 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 13.901 6.692 15.522 1.00 0.00 N ATOM 2 CA MET X 1 14.946 5.631 15.440 1.00 0.00 C ATOM 3 C MET X 1 14.586 4.649 14.334 1.00 0.00 C ATOM 4 O MET X 1 15.087 3.524 14.306 1.00 0.00 O ATOM 5 CB MET X 1 15.020 4.890 16.774 1.00 0.00 C ATOM 6 CG MET X 1 13.633 4.357 17.134 1.00 0.00 C ATOM 7 SD MET X 1 12.731 5.610 18.080 1.00 0.00 S ATOM 8 CE MET X 1 11.067 4.976 17.761 1.00 0.00 C ATOM 0 H1 MET X 1 14.285 7.586 15.155 1.00 0.00 H new ATOM 0 H2 MET X 1 13.076 6.411 14.955 1.00 0.00 H new ATOM 0 H3 MET X 1 13.613 6.820 16.513 1.00 0.00 H new ATOM 0 HA MET X 1 15.912 6.086 15.221 1.00 0.00 H new ATOM 0 HB2 MET X 1 15.732 4.067 16.707 1.00 0.00 H new ATOM 0 HB3 MET X 1 15.379 5.560 17.556 1.00 0.00 H new ATOM 0 HG2 MET X 1 13.083 4.104 16.228 1.00 0.00 H new ATOM 0 HG3 MET X 1 13.724 3.441 17.718 1.00 0.00 H new ATOM 0 HE1 MET X 1 10.334 5.610 18.260 1.00 0.00 H new ATOM 0 HE2 MET X 1 10.877 4.977 16.688 1.00 0.00 H new ATOM 0 HE3 MET X 1 10.986 3.958 18.142 1.00 0.00 H new ATOM 19 N GLN X 2 13.712 5.066 13.435 1.00 0.00 N ATOM 20 CA GLN X 2 13.305 4.190 12.356 1.00 0.00 C ATOM 21 C GLN X 2 14.171 4.391 11.119 1.00 0.00 C ATOM 22 O GLN X 2 14.202 5.473 10.533 1.00 0.00 O ATOM 23 CB GLN X 2 11.844 4.448 12.006 1.00 0.00 C ATOM 24 CG GLN X 2 11.236 3.166 11.456 1.00 0.00 C ATOM 25 CD GLN X 2 11.842 2.848 10.092 1.00 0.00 C ATOM 26 OE1 GLN X 2 11.973 1.680 9.726 1.00 0.00 O ATOM 27 NE2 GLN X 2 12.220 3.825 9.312 1.00 0.00 N ATOM 0 H GLN X 2 13.278 5.989 13.431 1.00 0.00 H new ATOM 0 HA GLN X 2 13.429 3.161 12.693 1.00 0.00 H new ATOM 0 HB2 GLN X 2 11.297 4.776 12.890 1.00 0.00 H new ATOM 0 HB3 GLN X 2 11.768 5.248 11.269 1.00 0.00 H new ATOM 0 HG2 GLN X 2 11.418 2.342 12.146 1.00 0.00 H new ATOM 0 HG3 GLN X 2 10.155 3.275 11.367 1.00 0.00 H new ATOM 0 HE21 GLN X 2 12.111 4.792 9.617 1.00 0.00 H new ATOM 0 HE22 GLN X 2 12.624 3.621 8.398 1.00 0.00 H new ATOM 36 N TYR X 3 14.868 3.328 10.727 1.00 0.00 N ATOM 37 CA TYR X 3 15.730 3.378 9.555 1.00 0.00 C ATOM 38 C TYR X 3 15.423 2.224 8.614 1.00 0.00 C ATOM 39 O TYR X 3 15.145 1.105 9.045 1.00 0.00 O ATOM 40 CB TYR X 3 17.204 3.315 9.964 1.00 0.00 C ATOM 41 CG TYR X 3 17.321 3.383 11.466 1.00 0.00 C ATOM 42 CD1 TYR X 3 17.025 2.257 12.241 1.00 0.00 C ATOM 43 CD2 TYR X 3 17.730 4.571 12.080 1.00 0.00 C ATOM 44 CE1 TYR X 3 17.138 2.319 13.633 1.00 0.00 C ATOM 45 CE2 TYR X 3 17.846 4.633 13.472 1.00 0.00 C ATOM 46 CZ TYR X 3 17.548 3.506 14.248 1.00 0.00 C ATOM 47 OH TYR X 3 17.663 3.567 15.622 1.00 0.00 O ATOM 0 H TYR X 3 14.852 2.426 11.203 1.00 0.00 H new ATOM 0 HA TYR X 3 15.539 4.321 9.043 1.00 0.00 H new ATOM 0 HB2 TYR X 3 17.654 2.393 9.596 1.00 0.00 H new ATOM 0 HB3 TYR X 3 17.753 4.140 9.510 1.00 0.00 H new ATOM 0 HD1 TYR X 3 16.709 1.341 11.765 1.00 0.00 H new ATOM 0 HD2 TYR X 3 17.956 5.440 11.480 1.00 0.00 H new ATOM 0 HE1 TYR X 3 16.909 1.451 14.233 1.00 0.00 H new ATOM 0 HE2 TYR X 3 18.165 5.549 13.948 1.00 0.00 H new ATOM 0 HH TYR X 3 18.412 3.005 15.913 1.00 0.00 H new ATOM 57 N LYS X 4 15.490 2.511 7.323 1.00 0.00 N ATOM 58 CA LYS X 4 15.231 1.496 6.313 1.00 0.00 C ATOM 59 C LYS X 4 16.465 1.296 5.450 1.00 0.00 C ATOM 60 O LYS X 4 17.146 2.256 5.092 1.00 0.00 O ATOM 61 CB LYS X 4 14.047 1.909 5.436 1.00 0.00 C ATOM 62 CG LYS X 4 13.414 0.662 4.817 1.00 0.00 C ATOM 63 CD LYS X 4 12.203 1.068 3.977 1.00 0.00 C ATOM 64 CE LYS X 4 12.623 1.221 2.514 1.00 0.00 C ATOM 65 NZ LYS X 4 11.567 1.961 1.769 1.00 0.00 N ATOM 0 H LYS X 4 15.720 3.433 6.951 1.00 0.00 H new ATOM 0 HA LYS X 4 14.988 0.559 6.814 1.00 0.00 H new ATOM 0 HB2 LYS X 4 13.310 2.447 6.031 1.00 0.00 H new ATOM 0 HB3 LYS X 4 14.381 2.588 4.652 1.00 0.00 H new ATOM 0 HG2 LYS X 4 14.143 0.142 4.196 1.00 0.00 H new ATOM 0 HG3 LYS X 4 13.110 -0.032 5.601 1.00 0.00 H new ATOM 0 HD2 LYS X 4 11.418 0.316 4.064 1.00 0.00 H new ATOM 0 HD3 LYS X 4 11.789 2.006 4.347 1.00 0.00 H new ATOM 0 HE2 LYS X 4 13.570 1.756 2.451 1.00 0.00 H new ATOM 0 HE3 LYS X 4 12.780 0.240 2.065 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 12.011 2.577 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 10.937 1.283 1.295 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 11.015 2.541 2.433 1.00 0.00 H new ATOM 79 N LEU X 5 16.749 0.047 5.118 1.00 0.00 N ATOM 80 CA LEU X 5 17.907 -0.253 4.297 1.00 0.00 C ATOM 81 C LEU X 5 17.472 -0.890 2.983 1.00 0.00 C ATOM 82 O LEU X 5 16.959 -2.008 2.956 1.00 0.00 O ATOM 83 CB LEU X 5 18.864 -1.181 5.046 1.00 0.00 C ATOM 84 CG LEU X 5 20.084 -1.502 4.168 1.00 0.00 C ATOM 85 CD1 LEU X 5 19.700 -2.522 3.094 1.00 0.00 C ATOM 86 CD2 LEU X 5 20.592 -0.223 3.490 1.00 0.00 C ATOM 0 H LEU X 5 16.200 -0.765 5.401 1.00 0.00 H new ATOM 0 HA LEU X 5 18.428 0.679 4.077 1.00 0.00 H new ATOM 0 HB2 LEU X 5 19.188 -0.710 5.974 1.00 0.00 H new ATOM 0 HB3 LEU X 5 18.350 -2.103 5.319 1.00 0.00 H new ATOM 0 HG LEU X 5 20.870 -1.916 4.799 1.00 0.00 H new ATOM 0 HD11 LEU X 5 20.570 -2.744 2.476 1.00 0.00 H new ATOM 0 HD12 LEU X 5 19.350 -3.438 3.570 1.00 0.00 H new ATOM 0 HD13 LEU X 5 18.906 -2.112 2.470 1.00 0.00 H new ATOM 0 HD21 LEU X 5 21.457 -0.459 2.870 1.00 0.00 H new ATOM 0 HD22 LEU X 5 19.802 0.197 2.867 1.00 0.00 H new ATOM 0 HD23 LEU X 5 20.879 0.503 4.251 1.00 0.00 H new ATOM 98 N ILE X 6 17.685 -0.156 1.895 1.00 0.00 N ATOM 99 CA ILE X 6 17.321 -0.631 0.566 1.00 0.00 C ATOM 100 C ILE X 6 18.551 -0.791 -0.310 1.00 0.00 C ATOM 101 O ILE X 6 19.418 0.083 -0.346 1.00 0.00 O ATOM 102 CB ILE X 6 16.365 0.354 -0.099 1.00 0.00 C ATOM 103 CG1 ILE X 6 14.948 0.085 0.397 1.00 0.00 C ATOM 104 CG2 ILE X 6 16.423 0.173 -1.619 1.00 0.00 C ATOM 105 CD1 ILE X 6 13.988 1.091 -0.233 1.00 0.00 C ATOM 0 H ILE X 6 18.109 0.772 1.909 1.00 0.00 H new ATOM 0 HA ILE X 6 16.836 -1.601 0.679 1.00 0.00 H new ATOM 0 HB ILE X 6 16.652 1.375 0.152 1.00 0.00 H new ATOM 0 HG12 ILE X 6 14.648 -0.931 0.139 1.00 0.00 H new ATOM 0 HG13 ILE X 6 14.911 0.162 1.484 1.00 0.00 H new ATOM 0 HG21 ILE X 6 15.740 0.876 -2.095 1.00 0.00 H new ATOM 0 HG22 ILE X 6 17.438 0.359 -1.969 1.00 0.00 H new ATOM 0 HG23 ILE X 6 16.132 -0.846 -1.875 1.00 0.00 H new ATOM 0 HD11 ILE X 6 12.975 0.899 0.121 1.00 0.00 H new ATOM 0 HD12 ILE X 6 14.285 2.102 0.047 1.00 0.00 H new ATOM 0 HD13 ILE X 6 14.018 0.992 -1.318 1.00 0.00 H new ATOM 117 N LEU X 7 18.617 -1.902 -1.029 1.00 0.00 N ATOM 118 CA LEU X 7 19.739 -2.152 -1.915 1.00 0.00 C ATOM 119 C LEU X 7 19.284 -2.116 -3.370 1.00 0.00 C ATOM 120 O LEU X 7 18.301 -2.758 -3.742 1.00 0.00 O ATOM 121 CB LEU X 7 20.366 -3.512 -1.600 1.00 0.00 C ATOM 122 CG LEU X 7 21.744 -3.314 -0.961 1.00 0.00 C ATOM 123 CD1 LEU X 7 22.735 -2.836 -2.024 1.00 0.00 C ATOM 124 CD2 LEU X 7 21.650 -2.270 0.156 1.00 0.00 C ATOM 0 H LEU X 7 17.911 -2.638 -1.015 1.00 0.00 H new ATOM 0 HA LEU X 7 20.484 -1.372 -1.760 1.00 0.00 H new ATOM 0 HB2 LEU X 7 19.720 -4.073 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU X 7 20.460 -4.100 -2.513 1.00 0.00 H new ATOM 0 HG LEU X 7 22.087 -4.260 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU X 7 23.716 -2.695 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU X 7 22.806 -3.581 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU X 7 22.390 -1.891 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU X 7 22.632 -2.132 0.608 1.00 0.00 H new ATOM 0 HD22 LEU X 7 21.305 -1.323 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU X 7 20.946 -2.611 0.915 1.00 0.00 H new ATOM 136 N ASN X 8 20.005 -1.353 -4.185 1.00 0.00 N ATOM 137 CA ASN X 8 19.672 -1.226 -5.595 1.00 0.00 C ATOM 138 C ASN X 8 20.900 -1.485 -6.458 1.00 0.00 C ATOM 139 O ASN X 8 21.897 -2.035 -5.990 1.00 0.00 O ATOM 140 CB ASN X 8 19.136 0.179 -5.877 1.00 0.00 C ATOM 141 CG ASN X 8 18.175 0.145 -7.059 1.00 0.00 C ATOM 142 OD1 ASN X 8 17.029 -0.283 -6.918 1.00 0.00 O ATOM 143 ND2 ASN X 8 18.575 0.576 -8.224 1.00 0.00 N ATOM 0 H ASN X 8 20.821 -0.816 -3.892 1.00 0.00 H new ATOM 0 HA ASN X 8 18.908 -1.964 -5.839 1.00 0.00 H new ATOM 0 HB2 ASN X 8 18.626 0.566 -4.995 1.00 0.00 H new ATOM 0 HB3 ASN X 8 19.963 0.856 -6.090 1.00 0.00 H new ATOM 0 HD21 ASN X 8 17.938 0.559 -9.020 1.00 0.00 H new ATOM 0 HD22 ASN X 8 19.525 0.930 -8.338 1.00 0.00 H new ATOM 150 N GLY X 9 20.818 -1.086 -7.720 1.00 0.00 N ATOM 151 CA GLY X 9 21.926 -1.279 -8.647 1.00 0.00 C ATOM 152 C GLY X 9 21.428 -1.847 -9.973 1.00 0.00 C ATOM 153 O GLY X 9 20.227 -1.857 -10.241 1.00 0.00 O ATOM 0 H GLY X 9 20.001 -0.629 -8.124 1.00 0.00 H new ATOM 0 HA2 GLY X 9 22.432 -0.329 -8.820 1.00 0.00 H new ATOM 0 HA3 GLY X 9 22.660 -1.956 -8.209 1.00 0.00 H new ATOM 157 N LYS X 10 22.357 -2.319 -10.799 1.00 0.00 N ATOM 158 CA LYS X 10 21.997 -2.887 -12.094 1.00 0.00 C ATOM 159 C LYS X 10 21.368 -4.265 -11.913 1.00 0.00 C ATOM 160 O LYS X 10 20.205 -4.477 -12.257 1.00 0.00 O ATOM 161 CB LYS X 10 23.238 -3.006 -12.983 1.00 0.00 C ATOM 162 CG LYS X 10 24.256 -1.928 -12.599 1.00 0.00 C ATOM 163 CD LYS X 10 23.608 -0.546 -12.705 1.00 0.00 C ATOM 164 CE LYS X 10 24.538 0.503 -12.093 1.00 0.00 C ATOM 165 NZ LYS X 10 24.537 1.726 -12.944 1.00 0.00 N ATOM 0 H LYS X 10 23.357 -2.320 -10.597 1.00 0.00 H new ATOM 0 HA LYS X 10 21.275 -2.224 -12.571 1.00 0.00 H new ATOM 0 HB2 LYS X 10 23.683 -3.995 -12.872 1.00 0.00 H new ATOM 0 HB3 LYS X 10 22.958 -2.898 -14.031 1.00 0.00 H new ATOM 0 HG2 LYS X 10 24.612 -2.096 -11.583 1.00 0.00 H new ATOM 0 HG3 LYS X 10 25.125 -1.984 -13.255 1.00 0.00 H new ATOM 0 HD2 LYS X 10 23.409 -0.305 -13.749 1.00 0.00 H new ATOM 0 HD3 LYS X 10 22.648 -0.542 -12.188 1.00 0.00 H new ATOM 0 HE2 LYS X 10 24.210 0.750 -11.083 1.00 0.00 H new ATOM 0 HE3 LYS X 10 25.549 0.105 -12.012 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 25.169 2.439 -12.528 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 24.869 1.484 -13.899 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 23.572 2.109 -13.000 1.00 0.00 H new ATOM 179 N THR X 11 22.144 -5.194 -11.368 1.00 0.00 N ATOM 180 CA THR X 11 21.653 -6.547 -11.139 1.00 0.00 C ATOM 181 C THR X 11 21.664 -6.869 -9.649 1.00 0.00 C ATOM 182 O THR X 11 21.674 -8.035 -9.255 1.00 0.00 O ATOM 183 CB THR X 11 22.526 -7.554 -11.892 1.00 0.00 C ATOM 184 OG1 THR X 11 22.301 -8.858 -11.372 1.00 0.00 O ATOM 185 CG2 THR X 11 23.999 -7.181 -11.718 1.00 0.00 C ATOM 0 H THR X 11 23.109 -5.037 -11.078 1.00 0.00 H new ATOM 0 HA THR X 11 20.629 -6.613 -11.507 1.00 0.00 H new ATOM 0 HB THR X 11 22.270 -7.537 -12.951 1.00 0.00 H new ATOM 0 HG1 THR X 11 21.549 -8.834 -10.744 1.00 0.00 H new ATOM 0 HG21 THR X 11 24.622 -7.898 -12.254 1.00 0.00 H new ATOM 0 HG22 THR X 11 24.171 -6.181 -12.117 1.00 0.00 H new ATOM 0 HG23 THR X 11 24.256 -7.198 -10.659 1.00 0.00 H new ATOM 193 N LEU X 12 21.665 -5.825 -8.824 1.00 0.00 N ATOM 194 CA LEU X 12 21.676 -6.003 -7.376 1.00 0.00 C ATOM 195 C LEU X 12 20.565 -5.190 -6.726 1.00 0.00 C ATOM 196 O LEU X 12 20.660 -3.969 -6.616 1.00 0.00 O ATOM 197 CB LEU X 12 23.024 -5.556 -6.802 1.00 0.00 C ATOM 198 CG LEU X 12 23.258 -6.188 -5.419 1.00 0.00 C ATOM 199 CD1 LEU X 12 21.988 -6.104 -4.570 1.00 0.00 C ATOM 200 CD2 LEU X 12 23.656 -7.656 -5.586 1.00 0.00 C ATOM 0 H LEU X 12 21.658 -4.853 -9.132 1.00 0.00 H new ATOM 0 HA LEU X 12 21.517 -7.060 -7.163 1.00 0.00 H new ATOM 0 HB2 LEU X 12 23.828 -5.843 -7.480 1.00 0.00 H new ATOM 0 HB3 LEU X 12 23.049 -4.469 -6.720 1.00 0.00 H new ATOM 0 HG LEU X 12 24.057 -5.642 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU X 12 22.172 -6.556 -3.595 1.00 0.00 H new ATOM 0 HD12 LEU X 12 21.707 -5.059 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU X 12 21.180 -6.637 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU X 12 23.821 -8.102 -4.605 1.00 0.00 H new ATOM 0 HD22 LEU X 12 22.858 -8.193 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU X 12 24.572 -7.720 -6.173 1.00 0.00 H new ATOM 212 N LYS X 13 19.521 -5.875 -6.282 1.00 0.00 N ATOM 213 CA LYS X 13 18.412 -5.201 -5.626 1.00 0.00 C ATOM 214 C LYS X 13 18.053 -5.919 -4.337 1.00 0.00 C ATOM 215 O LYS X 13 18.035 -7.150 -4.279 1.00 0.00 O ATOM 216 CB LYS X 13 17.187 -5.159 -6.541 1.00 0.00 C ATOM 217 CG LYS X 13 15.922 -5.034 -5.686 1.00 0.00 C ATOM 218 CD LYS X 13 14.731 -4.699 -6.584 1.00 0.00 C ATOM 219 CE LYS X 13 14.609 -5.752 -7.687 1.00 0.00 C ATOM 220 NZ LYS X 13 13.234 -5.714 -8.259 1.00 0.00 N ATOM 0 H LYS X 13 19.419 -6.887 -6.363 1.00 0.00 H new ATOM 0 HA LYS X 13 18.720 -4.180 -5.401 1.00 0.00 H new ATOM 0 HB2 LYS X 13 17.260 -4.316 -7.228 1.00 0.00 H new ATOM 0 HB3 LYS X 13 17.141 -6.063 -7.149 1.00 0.00 H new ATOM 0 HG2 LYS X 13 15.738 -5.966 -5.152 1.00 0.00 H new ATOM 0 HG3 LYS X 13 16.054 -4.256 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS X 13 13.815 -4.668 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS X 13 14.861 -3.710 -7.024 1.00 0.00 H new ATOM 0 HE2 LYS X 13 15.345 -5.563 -8.468 1.00 0.00 H new ATOM 0 HE3 LYS X 13 14.820 -6.743 -7.284 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 13.150 -6.430 -9.009 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 12.541 -5.914 -7.510 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 13.050 -4.771 -8.658 1.00 0.00 H new ATOM 234 N GLY X 14 17.765 -5.146 -3.305 1.00 0.00 N ATOM 235 CA GLY X 14 17.405 -5.721 -2.025 1.00 0.00 C ATOM 236 C GLY X 14 16.671 -4.710 -1.163 1.00 0.00 C ATOM 237 O GLY X 14 16.957 -3.512 -1.208 1.00 0.00 O ATOM 0 H GLY X 14 17.774 -4.126 -3.329 1.00 0.00 H new ATOM 0 HA2 GLY X 14 16.776 -6.597 -2.180 1.00 0.00 H new ATOM 0 HA3 GLY X 14 18.303 -6.061 -1.509 1.00 0.00 H new ATOM 241 N GLU X 15 15.734 -5.204 -0.364 1.00 0.00 N ATOM 242 CA GLU X 15 14.970 -4.345 0.528 1.00 0.00 C ATOM 243 C GLU X 15 14.967 -4.947 1.929 1.00 0.00 C ATOM 244 O GLU X 15 14.763 -6.150 2.094 1.00 0.00 O ATOM 245 CB GLU X 15 13.534 -4.217 0.020 1.00 0.00 C ATOM 246 CG GLU X 15 12.763 -5.493 0.363 1.00 0.00 C ATOM 247 CD GLU X 15 11.449 -5.540 -0.410 1.00 0.00 C ATOM 248 OE1 GLU X 15 10.777 -4.523 -0.460 1.00 0.00 O ATOM 249 OE2 GLU X 15 11.134 -6.593 -0.938 1.00 0.00 O ATOM 0 H GLU X 15 15.486 -6.192 -0.316 1.00 0.00 H new ATOM 0 HA GLU X 15 15.427 -3.356 0.557 1.00 0.00 H new ATOM 0 HB2 GLU X 15 13.050 -3.352 0.475 1.00 0.00 H new ATOM 0 HB3 GLU X 15 13.530 -4.054 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU X 15 13.367 -6.367 0.121 1.00 0.00 H new ATOM 0 HG3 GLU X 15 12.564 -5.529 1.434 1.00 0.00 H new ATOM 256 N THR X 16 15.212 -4.114 2.935 1.00 0.00 N ATOM 257 CA THR X 16 15.255 -4.597 4.308 1.00 0.00 C ATOM 258 C THR X 16 14.631 -3.592 5.268 1.00 0.00 C ATOM 259 O THR X 16 14.483 -2.414 4.946 1.00 0.00 O ATOM 260 CB THR X 16 16.707 -4.839 4.726 1.00 0.00 C ATOM 261 OG1 THR X 16 17.431 -5.397 3.637 1.00 0.00 O ATOM 262 CG2 THR X 16 16.740 -5.801 5.910 1.00 0.00 C ATOM 0 H THR X 16 15.382 -3.114 2.827 1.00 0.00 H new ATOM 0 HA THR X 16 14.687 -5.526 4.352 1.00 0.00 H new ATOM 0 HB THR X 16 17.165 -3.893 5.014 1.00 0.00 H new ATOM 0 HG1 THR X 16 18.229 -5.855 3.975 1.00 0.00 H new ATOM 0 HG21 THR X 16 17.774 -5.975 6.209 1.00 0.00 H new ATOM 0 HG22 THR X 16 16.188 -5.369 6.745 1.00 0.00 H new ATOM 0 HG23 THR X 16 16.282 -6.747 5.623 1.00 0.00 H new ATOM 270 N THR X 17 14.292 -4.068 6.460 1.00 0.00 N ATOM 271 CA THR X 17 13.711 -3.213 7.484 1.00 0.00 C ATOM 272 C THR X 17 14.261 -3.612 8.848 1.00 0.00 C ATOM 273 O THR X 17 14.263 -4.789 9.205 1.00 0.00 O ATOM 274 CB THR X 17 12.186 -3.343 7.485 1.00 0.00 C ATOM 275 OG1 THR X 17 11.628 -2.323 8.302 1.00 0.00 O ATOM 276 CG2 THR X 17 11.788 -4.712 8.036 1.00 0.00 C ATOM 0 H THR X 17 14.410 -5.042 6.740 1.00 0.00 H new ATOM 0 HA THR X 17 13.973 -2.177 7.271 1.00 0.00 H new ATOM 0 HB THR X 17 11.812 -3.242 6.466 1.00 0.00 H new ATOM 0 HG1 THR X 17 10.651 -2.403 8.303 1.00 0.00 H new ATOM 0 HG21 THR X 17 10.702 -4.802 8.036 1.00 0.00 H new ATOM 0 HG22 THR X 17 12.217 -5.495 7.411 1.00 0.00 H new ATOM 0 HG23 THR X 17 12.161 -4.816 9.055 1.00 0.00 H new ATOM 284 N THR X 18 14.740 -2.633 9.602 1.00 0.00 N ATOM 285 CA THR X 18 15.302 -2.914 10.915 1.00 0.00 C ATOM 286 C THR X 18 14.916 -1.829 11.907 1.00 0.00 C ATOM 287 O THR X 18 14.689 -0.679 11.533 1.00 0.00 O ATOM 288 CB THR X 18 16.827 -3.009 10.815 1.00 0.00 C ATOM 289 OG1 THR X 18 17.200 -4.363 10.597 1.00 0.00 O ATOM 290 CG2 THR X 18 17.476 -2.504 12.106 1.00 0.00 C ATOM 0 H THR X 18 14.751 -1.649 9.332 1.00 0.00 H new ATOM 0 HA THR X 18 14.902 -3.864 11.269 1.00 0.00 H new ATOM 0 HB THR X 18 17.168 -2.392 9.984 1.00 0.00 H new ATOM 0 HG1 THR X 18 18.176 -4.427 10.531 1.00 0.00 H new ATOM 0 HG21 THR X 18 18.560 -2.577 12.021 1.00 0.00 H new ATOM 0 HG22 THR X 18 17.194 -1.464 12.272 1.00 0.00 H new ATOM 0 HG23 THR X 18 17.136 -3.110 12.945 1.00 0.00 H new ATOM 298 N GLU X 19 14.845 -2.206 13.174 1.00 0.00 N ATOM 299 CA GLU X 19 14.490 -1.264 14.220 1.00 0.00 C ATOM 300 C GLU X 19 15.532 -1.285 15.326 1.00 0.00 C ATOM 301 O GLU X 19 15.887 -2.346 15.839 1.00 0.00 O ATOM 302 CB GLU X 19 13.125 -1.622 14.798 1.00 0.00 C ATOM 303 CG GLU X 19 12.343 -0.339 15.064 1.00 0.00 C ATOM 304 CD GLU X 19 12.990 0.440 16.207 1.00 0.00 C ATOM 305 OE1 GLU X 19 12.697 0.130 17.351 1.00 0.00 O ATOM 306 OE2 GLU X 19 13.771 1.332 15.922 1.00 0.00 O ATOM 0 H GLU X 19 15.028 -3.155 13.501 1.00 0.00 H new ATOM 0 HA GLU X 19 14.451 -0.263 13.789 1.00 0.00 H new ATOM 0 HB2 GLU X 19 12.578 -2.259 14.103 1.00 0.00 H new ATOM 0 HB3 GLU X 19 13.245 -2.188 15.722 1.00 0.00 H new ATOM 0 HG2 GLU X 19 12.318 0.275 14.163 1.00 0.00 H new ATOM 0 HG3 GLU X 19 11.310 -0.579 15.315 1.00 0.00 H new ATOM 313 N ALA X 20 16.020 -0.109 15.687 1.00 0.00 N ATOM 314 CA ALA X 20 17.025 -0.007 16.731 1.00 0.00 C ATOM 315 C ALA X 20 16.717 1.148 17.669 1.00 0.00 C ATOM 316 O ALA X 20 15.792 1.927 17.435 1.00 0.00 O ATOM 317 CB ALA X 20 18.401 0.211 16.106 1.00 0.00 C ATOM 0 H ALA X 20 15.739 0.781 15.276 1.00 0.00 H new ATOM 0 HA ALA X 20 17.018 -0.936 17.301 1.00 0.00 H new ATOM 0 HB1 ALA X 20 19.151 0.287 16.894 1.00 0.00 H new ATOM 0 HB2 ALA X 20 18.642 -0.629 15.455 1.00 0.00 H new ATOM 0 HB3 ALA X 20 18.394 1.132 15.522 1.00 0.00 H new ATOM 323 N VAL X 21 17.512 1.259 18.722 1.00 0.00 N ATOM 324 CA VAL X 21 17.340 2.333 19.685 1.00 0.00 C ATOM 325 C VAL X 21 17.759 3.652 19.062 1.00 0.00 C ATOM 326 O VAL X 21 17.191 4.701 19.358 1.00 0.00 O ATOM 327 CB VAL X 21 18.200 2.066 20.914 1.00 0.00 C ATOM 328 CG1 VAL X 21 19.675 2.217 20.549 1.00 0.00 C ATOM 329 CG2 VAL X 21 17.846 3.066 22.017 1.00 0.00 C ATOM 0 H VAL X 21 18.280 0.621 18.930 1.00 0.00 H new ATOM 0 HA VAL X 21 16.291 2.383 19.977 1.00 0.00 H new ATOM 0 HB VAL X 21 18.014 1.052 21.269 1.00 0.00 H new ATOM 0 HG11 VAL X 21 20.289 2.026 21.429 1.00 0.00 H new ATOM 0 HG12 VAL X 21 19.931 1.503 19.766 1.00 0.00 H new ATOM 0 HG13 VAL X 21 19.859 3.230 20.191 1.00 0.00 H new ATOM 0 HG21 VAL X 21 18.463 2.873 22.895 1.00 0.00 H new ATOM 0 HG22 VAL X 21 18.029 4.080 21.661 1.00 0.00 H new ATOM 0 HG23 VAL X 21 16.794 2.959 22.282 1.00 0.00 H new ATOM 339 N ASP X 22 18.758 3.586 18.196 1.00 0.00 N ATOM 340 CA ASP X 22 19.255 4.776 17.529 1.00 0.00 C ATOM 341 C ASP X 22 19.904 4.402 16.209 1.00 0.00 C ATOM 342 O ASP X 22 20.108 3.225 15.914 1.00 0.00 O ATOM 343 CB ASP X 22 20.270 5.492 18.419 1.00 0.00 C ATOM 344 CG ASP X 22 21.538 4.655 18.539 1.00 0.00 C ATOM 345 OD1 ASP X 22 22.142 4.380 17.515 1.00 0.00 O ATOM 346 OD2 ASP X 22 21.886 4.301 19.653 1.00 0.00 O ATOM 0 H ASP X 22 19.238 2.723 17.940 1.00 0.00 H new ATOM 0 HA ASP X 22 18.416 5.445 17.336 1.00 0.00 H new ATOM 0 HB2 ASP X 22 20.508 6.470 18.000 1.00 0.00 H new ATOM 0 HB3 ASP X 22 19.843 5.664 19.407 1.00 0.00 H new ATOM 351 N ALA X 23 20.223 5.418 15.411 1.00 0.00 N ATOM 352 CA ALA X 23 20.847 5.194 14.112 1.00 0.00 C ATOM 353 C ALA X 23 22.305 4.782 14.266 1.00 0.00 C ATOM 354 O ALA X 23 22.828 4.014 13.459 1.00 0.00 O ATOM 355 CB ALA X 23 20.764 6.469 13.270 1.00 0.00 C ATOM 0 H ALA X 23 20.060 6.399 15.640 1.00 0.00 H new ATOM 0 HA ALA X 23 20.311 4.386 13.614 1.00 0.00 H new ATOM 0 HB1 ALA X 23 21.232 6.296 12.301 1.00 0.00 H new ATOM 0 HB2 ALA X 23 19.719 6.742 13.125 1.00 0.00 H new ATOM 0 HB3 ALA X 23 21.282 7.279 13.784 1.00 0.00 H new ATOM 361 N ALA X 24 22.958 5.289 15.307 1.00 0.00 N ATOM 362 CA ALA X 24 24.354 4.950 15.540 1.00 0.00 C ATOM 363 C ALA X 24 24.497 3.438 15.632 1.00 0.00 C ATOM 364 O ALA X 24 25.473 2.864 15.149 1.00 0.00 O ATOM 365 CB ALA X 24 24.846 5.595 16.837 1.00 0.00 C ATOM 0 H ALA X 24 22.550 5.926 15.991 1.00 0.00 H new ATOM 0 HA ALA X 24 24.956 5.325 14.712 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.892 5.334 17.000 1.00 0.00 H new ATOM 0 HB2 ALA X 24 24.750 6.678 16.764 1.00 0.00 H new ATOM 0 HB3 ALA X 24 24.247 5.233 17.673 1.00 0.00 H new ATOM 371 N THR X 25 23.505 2.802 16.244 1.00 0.00 N ATOM 372 CA THR X 25 23.512 1.354 16.384 1.00 0.00 C ATOM 373 C THR X 25 23.135 0.697 15.060 1.00 0.00 C ATOM 374 O THR X 25 23.783 -0.251 14.614 1.00 0.00 O ATOM 375 CB THR X 25 22.521 0.930 17.469 1.00 0.00 C ATOM 376 OG1 THR X 25 21.455 1.868 17.527 1.00 0.00 O ATOM 377 CG2 THR X 25 23.232 0.879 18.822 1.00 0.00 C ATOM 0 H THR X 25 22.691 3.264 16.649 1.00 0.00 H new ATOM 0 HA THR X 25 24.515 1.034 16.668 1.00 0.00 H new ATOM 0 HB THR X 25 22.125 -0.058 17.233 1.00 0.00 H new ATOM 0 HG1 THR X 25 21.008 1.910 16.656 1.00 0.00 H new ATOM 0 HG21 THR X 25 22.524 0.577 19.594 1.00 0.00 H new ATOM 0 HG22 THR X 25 24.049 0.159 18.777 1.00 0.00 H new ATOM 0 HG23 THR X 25 23.630 1.865 19.061 1.00 0.00 H new ATOM 385 N ALA X 26 22.081 1.214 14.440 1.00 0.00 N ATOM 386 CA ALA X 26 21.612 0.684 13.166 1.00 0.00 C ATOM 387 C ALA X 26 22.708 0.784 12.109 1.00 0.00 C ATOM 388 O ALA X 26 22.831 -0.082 11.242 1.00 0.00 O ATOM 389 CB ALA X 26 20.379 1.461 12.702 1.00 0.00 C ATOM 0 H ALA X 26 21.536 1.998 14.798 1.00 0.00 H new ATOM 0 HA ALA X 26 21.350 -0.365 13.302 1.00 0.00 H new ATOM 0 HB1 ALA X 26 20.033 1.060 11.749 1.00 0.00 H new ATOM 0 HB2 ALA X 26 19.587 1.364 13.445 1.00 0.00 H new ATOM 0 HB3 ALA X 26 20.636 2.513 12.581 1.00 0.00 H new ATOM 395 N GLU X 27 23.492 1.856 12.180 1.00 0.00 N ATOM 396 CA GLU X 27 24.567 2.077 11.220 1.00 0.00 C ATOM 397 C GLU X 27 25.492 0.873 11.143 1.00 0.00 C ATOM 398 O GLU X 27 25.877 0.447 10.058 1.00 0.00 O ATOM 399 CB GLU X 27 25.382 3.301 11.636 1.00 0.00 C ATOM 400 CG GLU X 27 26.528 3.509 10.646 1.00 0.00 C ATOM 401 CD GLU X 27 27.100 4.914 10.799 1.00 0.00 C ATOM 402 OE1 GLU X 27 26.566 5.820 10.183 1.00 0.00 O ATOM 403 OE2 GLU X 27 28.065 5.063 11.532 1.00 0.00 O ATOM 0 H GLU X 27 23.403 2.583 12.890 1.00 0.00 H new ATOM 0 HA GLU X 27 24.117 2.236 10.240 1.00 0.00 H new ATOM 0 HB2 GLU X 27 24.744 4.185 11.662 1.00 0.00 H new ATOM 0 HB3 GLU X 27 25.777 3.164 12.643 1.00 0.00 H new ATOM 0 HG2 GLU X 27 27.309 2.769 10.820 1.00 0.00 H new ATOM 0 HG3 GLU X 27 26.170 3.362 9.627 1.00 0.00 H new ATOM 410 N LYS X 28 25.846 0.336 12.298 1.00 0.00 N ATOM 411 CA LYS X 28 26.733 -0.815 12.350 1.00 0.00 C ATOM 412 C LYS X 28 26.025 -2.085 11.882 1.00 0.00 C ATOM 413 O LYS X 28 26.627 -2.935 11.224 1.00 0.00 O ATOM 414 CB LYS X 28 27.231 -1.015 13.780 1.00 0.00 C ATOM 415 CG LYS X 28 27.755 0.312 14.334 1.00 0.00 C ATOM 416 CD LYS X 28 29.191 0.533 13.857 1.00 0.00 C ATOM 417 CE LYS X 28 29.322 1.938 13.265 1.00 0.00 C ATOM 418 NZ LYS X 28 30.635 2.065 12.573 1.00 0.00 N ATOM 0 H LYS X 28 25.535 0.676 13.208 1.00 0.00 H new ATOM 0 HA LYS X 28 27.573 -0.623 11.682 1.00 0.00 H new ATOM 0 HB2 LYS X 28 26.422 -1.388 14.408 1.00 0.00 H new ATOM 0 HB3 LYS X 28 28.021 -1.765 13.799 1.00 0.00 H new ATOM 0 HG2 LYS X 28 27.120 1.133 14.002 1.00 0.00 H new ATOM 0 HG3 LYS X 28 27.720 0.303 15.423 1.00 0.00 H new ATOM 0 HD2 LYS X 28 29.885 0.411 14.689 1.00 0.00 H new ATOM 0 HD3 LYS X 28 29.456 -0.214 13.109 1.00 0.00 H new ATOM 0 HE2 LYS X 28 28.509 2.126 12.563 1.00 0.00 H new ATOM 0 HE3 LYS X 28 29.241 2.686 14.054 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 30.724 3.020 12.171 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 31.404 1.903 13.255 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 30.695 1.361 11.810 1.00 0.00 H new ATOM 432 N VAL X 29 24.758 -2.225 12.256 1.00 0.00 N ATOM 433 CA VAL X 29 23.991 -3.419 11.906 1.00 0.00 C ATOM 434 C VAL X 29 23.631 -3.494 10.418 1.00 0.00 C ATOM 435 O VAL X 29 23.910 -4.503 9.770 1.00 0.00 O ATOM 436 CB VAL X 29 22.711 -3.470 12.738 1.00 0.00 C ATOM 437 CG1 VAL X 29 21.807 -4.587 12.218 1.00 0.00 C ATOM 438 CG2 VAL X 29 23.066 -3.743 14.202 1.00 0.00 C ATOM 0 H VAL X 29 24.241 -1.532 12.798 1.00 0.00 H new ATOM 0 HA VAL X 29 24.630 -4.275 12.124 1.00 0.00 H new ATOM 0 HB VAL X 29 22.190 -2.516 12.660 1.00 0.00 H new ATOM 0 HG11 VAL X 29 20.894 -4.623 12.812 1.00 0.00 H new ATOM 0 HG12 VAL X 29 21.554 -4.395 11.175 1.00 0.00 H new ATOM 0 HG13 VAL X 29 22.327 -5.542 12.295 1.00 0.00 H new ATOM 0 HG21 VAL X 29 22.153 -3.780 14.797 1.00 0.00 H new ATOM 0 HG22 VAL X 29 23.587 -4.697 14.278 1.00 0.00 H new ATOM 0 HG23 VAL X 29 23.710 -2.947 14.575 1.00 0.00 H new ATOM 448 N PHE X 30 22.982 -2.463 9.879 1.00 0.00 N ATOM 449 CA PHE X 30 22.580 -2.509 8.473 1.00 0.00 C ATOM 450 C PHE X 30 23.756 -2.306 7.521 1.00 0.00 C ATOM 451 O PHE X 30 23.745 -2.833 6.408 1.00 0.00 O ATOM 452 CB PHE X 30 21.459 -1.503 8.183 1.00 0.00 C ATOM 453 CG PHE X 30 21.989 -0.093 8.073 1.00 0.00 C ATOM 454 CD1 PHE X 30 22.773 0.290 6.975 1.00 0.00 C ATOM 455 CD2 PHE X 30 21.669 0.842 9.064 1.00 0.00 C ATOM 456 CE1 PHE X 30 23.239 1.608 6.877 1.00 0.00 C ATOM 457 CE2 PHE X 30 22.131 2.158 8.960 1.00 0.00 C ATOM 458 CZ PHE X 30 22.917 2.541 7.869 1.00 0.00 C ATOM 0 H PHE X 30 22.729 -1.609 10.376 1.00 0.00 H new ATOM 0 HA PHE X 30 22.195 -3.513 8.292 1.00 0.00 H new ATOM 0 HB2 PHE X 30 20.956 -1.776 7.255 1.00 0.00 H new ATOM 0 HB3 PHE X 30 20.713 -1.551 8.976 1.00 0.00 H new ATOM 0 HD1 PHE X 30 23.017 -0.429 6.207 1.00 0.00 H new ATOM 0 HD2 PHE X 30 21.065 0.547 9.909 1.00 0.00 H new ATOM 0 HE1 PHE X 30 23.847 1.904 6.035 1.00 0.00 H new ATOM 0 HE2 PHE X 30 21.880 2.879 9.724 1.00 0.00 H new ATOM 0 HZ PHE X 30 23.276 3.557 7.792 1.00 0.00 H new ATOM 468 N LYS X 31 24.771 -1.562 7.943 1.00 0.00 N ATOM 469 CA LYS X 31 25.924 -1.347 7.072 1.00 0.00 C ATOM 470 C LYS X 31 26.481 -2.699 6.647 1.00 0.00 C ATOM 471 O LYS X 31 27.022 -2.850 5.552 1.00 0.00 O ATOM 472 CB LYS X 31 27.009 -0.552 7.799 1.00 0.00 C ATOM 473 CG LYS X 31 26.659 0.937 7.773 1.00 0.00 C ATOM 474 CD LYS X 31 27.013 1.520 6.402 1.00 0.00 C ATOM 475 CE LYS X 31 27.103 3.043 6.502 1.00 0.00 C ATOM 476 NZ LYS X 31 27.598 3.597 5.209 1.00 0.00 N ATOM 0 H LYS X 31 24.823 -1.108 8.855 1.00 0.00 H new ATOM 0 HA LYS X 31 25.608 -0.779 6.197 1.00 0.00 H new ATOM 0 HB2 LYS X 31 27.098 -0.897 8.829 1.00 0.00 H new ATOM 0 HB3 LYS X 31 27.976 -0.717 7.323 1.00 0.00 H new ATOM 0 HG2 LYS X 31 25.597 1.076 7.976 1.00 0.00 H new ATOM 0 HG3 LYS X 31 27.205 1.464 8.556 1.00 0.00 H new ATOM 0 HD2 LYS X 31 27.962 1.111 6.055 1.00 0.00 H new ATOM 0 HD3 LYS X 31 26.258 1.237 5.669 1.00 0.00 H new ATOM 0 HE2 LYS X 31 26.125 3.461 6.738 1.00 0.00 H new ATOM 0 HE3 LYS X 31 27.775 3.326 7.312 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 27.643 4.634 5.270 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 28.547 3.220 5.010 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 26.950 3.324 4.443 1.00 0.00 H new ATOM 490 N GLN X 32 26.323 -3.682 7.526 1.00 0.00 N ATOM 491 CA GLN X 32 26.788 -5.034 7.253 1.00 0.00 C ATOM 492 C GLN X 32 26.078 -5.602 6.028 1.00 0.00 C ATOM 493 O GLN X 32 26.622 -6.446 5.317 1.00 0.00 O ATOM 494 CB GLN X 32 26.526 -5.936 8.460 1.00 0.00 C ATOM 495 CG GLN X 32 26.457 -7.394 8.003 1.00 0.00 C ATOM 496 CD GLN X 32 26.465 -8.320 9.215 1.00 0.00 C ATOM 497 OE1 GLN X 32 26.816 -7.900 10.317 1.00 0.00 O ATOM 498 NE2 GLN X 32 26.096 -9.564 9.076 1.00 0.00 N ATOM 0 H GLN X 32 25.875 -3.566 8.435 1.00 0.00 H new ATOM 0 HA GLN X 32 27.860 -4.997 7.058 1.00 0.00 H new ATOM 0 HB2 GLN X 32 27.318 -5.812 9.198 1.00 0.00 H new ATOM 0 HB3 GLN X 32 25.592 -5.651 8.944 1.00 0.00 H new ATOM 0 HG2 GLN X 32 25.553 -7.558 7.416 1.00 0.00 H new ATOM 0 HG3 GLN X 32 27.304 -7.621 7.355 1.00 0.00 H new ATOM 0 HE21 GLN X 32 25.805 -9.911 8.162 1.00 0.00 H new ATOM 0 HE22 GLN X 32 26.098 -10.190 9.882 1.00 0.00 H new ATOM 507 N TYR X 33 24.855 -5.138 5.800 1.00 0.00 N ATOM 508 CA TYR X 33 24.063 -5.609 4.671 1.00 0.00 C ATOM 509 C TYR X 33 24.808 -5.383 3.359 1.00 0.00 C ATOM 510 O TYR X 33 24.880 -6.277 2.516 1.00 0.00 O ATOM 511 CB TYR X 33 22.728 -4.864 4.637 1.00 0.00 C ATOM 512 CG TYR X 33 21.759 -5.596 3.744 1.00 0.00 C ATOM 513 CD1 TYR X 33 21.899 -5.526 2.352 1.00 0.00 C ATOM 514 CD2 TYR X 33 20.715 -6.340 4.306 1.00 0.00 C ATOM 515 CE1 TYR X 33 20.997 -6.202 1.524 1.00 0.00 C ATOM 516 CE2 TYR X 33 19.811 -7.015 3.478 1.00 0.00 C ATOM 517 CZ TYR X 33 19.952 -6.947 2.087 1.00 0.00 C ATOM 518 OH TYR X 33 19.061 -7.612 1.269 1.00 0.00 O ATOM 0 H TYR X 33 24.392 -4.438 6.380 1.00 0.00 H new ATOM 0 HA TYR X 33 23.886 -6.678 4.791 1.00 0.00 H new ATOM 0 HB2 TYR X 33 22.320 -4.784 5.644 1.00 0.00 H new ATOM 0 HB3 TYR X 33 22.877 -3.848 4.272 1.00 0.00 H new ATOM 0 HD1 TYR X 33 22.703 -4.950 1.918 1.00 0.00 H new ATOM 0 HD2 TYR X 33 20.607 -6.393 5.379 1.00 0.00 H new ATOM 0 HE1 TYR X 33 21.106 -6.150 0.451 1.00 0.00 H new ATOM 0 HE2 TYR X 33 19.005 -7.588 3.912 1.00 0.00 H new ATOM 0 HH TYR X 33 18.399 -8.081 1.819 1.00 0.00 H new ATOM 528 N ALA X 34 25.367 -4.189 3.193 1.00 0.00 N ATOM 529 CA ALA X 34 26.111 -3.877 1.978 1.00 0.00 C ATOM 530 C ALA X 34 27.351 -4.758 1.889 1.00 0.00 C ATOM 531 O ALA X 34 27.626 -5.363 0.853 1.00 0.00 O ATOM 532 CB ALA X 34 26.527 -2.406 1.982 1.00 0.00 C ATOM 0 H ALA X 34 25.321 -3.431 3.874 1.00 0.00 H new ATOM 0 HA ALA X 34 25.472 -4.066 1.115 1.00 0.00 H new ATOM 0 HB1 ALA X 34 27.082 -2.182 1.071 1.00 0.00 H new ATOM 0 HB2 ALA X 34 25.638 -1.777 2.029 1.00 0.00 H new ATOM 0 HB3 ALA X 34 27.158 -2.209 2.849 1.00 0.00 H new ATOM 538 N ASN X 35 28.089 -4.829 2.991 1.00 0.00 N ATOM 539 CA ASN X 35 29.293 -5.646 3.040 1.00 0.00 C ATOM 540 C ASN X 35 28.932 -7.117 2.859 1.00 0.00 C ATOM 541 O ASN X 35 29.646 -7.867 2.193 1.00 0.00 O ATOM 542 CB ASN X 35 30.005 -5.453 4.382 1.00 0.00 C ATOM 543 CG ASN X 35 31.408 -6.046 4.319 1.00 0.00 C ATOM 544 OD1 ASN X 35 31.575 -7.261 4.420 1.00 0.00 O ATOM 545 ND2 ASN X 35 32.435 -5.256 4.159 1.00 0.00 N ATOM 0 H ASN X 35 27.876 -4.334 3.857 1.00 0.00 H new ATOM 0 HA ASN X 35 29.959 -5.338 2.234 1.00 0.00 H new ATOM 0 HB2 ASN X 35 30.061 -4.392 4.624 1.00 0.00 H new ATOM 0 HB3 ASN X 35 29.434 -5.932 5.178 1.00 0.00 H new ATOM 0 HD21 ASN X 35 33.377 -5.646 4.118 1.00 0.00 H new ATOM 0 HD22 ASN X 35 32.296 -4.249 4.075 1.00 0.00 H new ATOM 552 N ASP X 36 27.807 -7.515 3.447 1.00 0.00 N ATOM 553 CA ASP X 36 27.342 -8.894 3.339 1.00 0.00 C ATOM 554 C ASP X 36 27.051 -9.220 1.881 1.00 0.00 C ATOM 555 O ASP X 36 27.166 -10.366 1.447 1.00 0.00 O ATOM 556 CB ASP X 36 26.073 -9.086 4.172 1.00 0.00 C ATOM 557 CG ASP X 36 25.534 -10.500 3.984 1.00 0.00 C ATOM 558 OD1 ASP X 36 25.987 -11.385 4.691 1.00 0.00 O ATOM 559 OD2 ASP X 36 24.677 -10.677 3.134 1.00 0.00 O ATOM 0 H ASP X 36 27.204 -6.906 4.000 1.00 0.00 H new ATOM 0 HA ASP X 36 28.117 -9.562 3.714 1.00 0.00 H new ATOM 0 HB2 ASP X 36 26.289 -8.908 5.225 1.00 0.00 H new ATOM 0 HB3 ASP X 36 25.319 -8.358 3.874 1.00 0.00 H new ATOM 564 N ASN X 37 26.684 -8.188 1.134 1.00 0.00 N ATOM 565 CA ASN X 37 26.381 -8.318 -0.286 1.00 0.00 C ATOM 566 C ASN X 37 27.364 -7.463 -1.072 1.00 0.00 C ATOM 567 O ASN X 37 26.960 -6.637 -1.888 1.00 0.00 O ATOM 568 CB ASN X 37 24.948 -7.864 -0.569 1.00 0.00 C ATOM 569 CG ASN X 37 23.960 -8.797 0.121 1.00 0.00 C ATOM 570 OD1 ASN X 37 23.115 -8.345 0.895 1.00 0.00 O ATOM 571 ND2 ASN X 37 24.013 -10.079 -0.115 1.00 0.00 N ATOM 0 H ASN X 37 26.588 -7.238 1.494 1.00 0.00 H new ATOM 0 HA ASN X 37 26.472 -9.362 -0.586 1.00 0.00 H new ATOM 0 HB2 ASN X 37 24.805 -6.843 -0.215 1.00 0.00 H new ATOM 0 HB3 ASN X 37 24.765 -7.858 -1.644 1.00 0.00 H new ATOM 0 HD21 ASN X 37 23.354 -10.709 0.342 1.00 0.00 H new ATOM 0 HD22 ASN X 37 24.714 -10.451 -0.756 1.00 0.00 H new ATOM 578 N GLY X 38 28.655 -7.680 -0.813 1.00 0.00 N ATOM 579 CA GLY X 38 29.725 -6.940 -1.483 1.00 0.00 C ATOM 580 C GLY X 38 29.185 -5.907 -2.464 1.00 0.00 C ATOM 581 O GLY X 38 29.456 -5.979 -3.663 1.00 0.00 O ATOM 0 H GLY X 38 28.986 -8.369 -0.138 1.00 0.00 H new ATOM 0 HA2 GLY X 38 30.342 -6.441 -0.736 1.00 0.00 H new ATOM 0 HA3 GLY X 38 30.371 -7.640 -2.014 1.00 0.00 H new ATOM 585 N VAL X 39 28.418 -4.948 -1.956 1.00 0.00 N ATOM 586 CA VAL X 39 27.852 -3.917 -2.813 1.00 0.00 C ATOM 587 C VAL X 39 28.692 -2.648 -2.762 1.00 0.00 C ATOM 588 O VAL X 39 29.136 -2.225 -1.694 1.00 0.00 O ATOM 589 CB VAL X 39 26.422 -3.590 -2.383 1.00 0.00 C ATOM 590 CG1 VAL X 39 25.960 -2.318 -3.095 1.00 0.00 C ATOM 591 CG2 VAL X 39 25.491 -4.747 -2.760 1.00 0.00 C ATOM 0 H VAL X 39 28.177 -4.864 -0.968 1.00 0.00 H new ATOM 0 HA VAL X 39 27.846 -4.300 -3.834 1.00 0.00 H new ATOM 0 HB VAL X 39 26.394 -3.441 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL X 39 24.940 -2.081 -2.791 1.00 0.00 H new ATOM 0 HG12 VAL X 39 26.619 -1.492 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL X 39 25.991 -2.473 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL X 39 24.473 -4.510 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL X 39 25.517 -4.899 -3.839 1.00 0.00 H new ATOM 0 HG23 VAL X 39 25.820 -5.657 -2.258 1.00 0.00 H new ATOM 601 N ASP X 40 28.894 -2.038 -3.923 1.00 0.00 N ATOM 602 CA ASP X 40 29.667 -0.805 -4.004 1.00 0.00 C ATOM 603 C ASP X 40 28.862 0.278 -4.713 1.00 0.00 C ATOM 604 O ASP X 40 28.655 0.214 -5.925 1.00 0.00 O ATOM 605 CB ASP X 40 30.972 -1.053 -4.763 1.00 0.00 C ATOM 606 CG ASP X 40 32.020 -0.026 -4.348 1.00 0.00 C ATOM 607 OD1 ASP X 40 31.777 0.685 -3.387 1.00 0.00 O ATOM 608 OD2 ASP X 40 33.051 0.035 -4.998 1.00 0.00 O ATOM 0 H ASP X 40 28.536 -2.374 -4.817 1.00 0.00 H new ATOM 0 HA ASP X 40 29.897 -0.472 -2.992 1.00 0.00 H new ATOM 0 HB2 ASP X 40 31.336 -2.060 -4.558 1.00 0.00 H new ATOM 0 HB3 ASP X 40 30.795 -0.991 -5.837 1.00 0.00 H new ATOM 613 N GLY X 41 28.404 1.268 -3.953 1.00 0.00 N ATOM 614 CA GLY X 41 27.616 2.351 -4.528 1.00 0.00 C ATOM 615 C GLY X 41 27.711 3.609 -3.684 1.00 0.00 C ATOM 616 O GLY X 41 28.681 3.810 -2.952 1.00 0.00 O ATOM 0 H GLY X 41 28.563 1.342 -2.948 1.00 0.00 H new ATOM 0 HA2 GLY X 41 27.966 2.561 -5.539 1.00 0.00 H new ATOM 0 HA3 GLY X 41 26.574 2.042 -4.609 1.00 0.00 H new ATOM 620 N GLU X 42 26.689 4.445 -3.781 1.00 0.00 N ATOM 621 CA GLU X 42 26.649 5.676 -3.012 1.00 0.00 C ATOM 622 C GLU X 42 25.706 5.503 -1.835 1.00 0.00 C ATOM 623 O GLU X 42 24.622 4.936 -1.970 1.00 0.00 O ATOM 624 CB GLU X 42 26.177 6.834 -3.893 1.00 0.00 C ATOM 625 CG GLU X 42 26.000 8.089 -3.036 1.00 0.00 C ATOM 626 CD GLU X 42 25.540 9.254 -3.907 1.00 0.00 C ATOM 627 OE1 GLU X 42 25.331 9.036 -5.089 1.00 0.00 O ATOM 628 OE2 GLU X 42 25.402 10.344 -3.378 1.00 0.00 O ATOM 0 H GLU X 42 25.880 4.293 -4.383 1.00 0.00 H new ATOM 0 HA GLU X 42 27.650 5.903 -2.646 1.00 0.00 H new ATOM 0 HB2 GLU X 42 26.902 7.021 -4.685 1.00 0.00 H new ATOM 0 HB3 GLU X 42 25.235 6.576 -4.377 1.00 0.00 H new ATOM 0 HG2 GLU X 42 25.270 7.902 -2.249 1.00 0.00 H new ATOM 0 HG3 GLU X 42 26.940 8.340 -2.545 1.00 0.00 H new ATOM 635 N TRP X 43 26.123 5.997 -0.681 1.00 0.00 N ATOM 636 CA TRP X 43 25.302 5.889 0.510 1.00 0.00 C ATOM 637 C TRP X 43 24.830 7.269 0.954 1.00 0.00 C ATOM 638 O TRP X 43 25.555 8.254 0.826 1.00 0.00 O ATOM 639 CB TRP X 43 26.086 5.240 1.646 1.00 0.00 C ATOM 640 CG TRP X 43 25.191 4.300 2.379 1.00 0.00 C ATOM 641 CD1 TRP X 43 24.019 4.635 2.964 1.00 0.00 C ATOM 642 CD2 TRP X 43 25.371 2.880 2.602 1.00 0.00 C ATOM 643 NE1 TRP X 43 23.470 3.502 3.538 1.00 0.00 N ATOM 644 CE2 TRP X 43 24.268 2.394 3.341 1.00 0.00 C ATOM 645 CE3 TRP X 43 26.378 1.978 2.238 1.00 0.00 C ATOM 646 CZ2 TRP X 43 24.170 1.052 3.704 1.00 0.00 C ATOM 647 CZ3 TRP X 43 26.285 0.632 2.599 1.00 0.00 C ATOM 648 CH2 TRP X 43 25.184 0.166 3.332 1.00 0.00 C ATOM 0 H TRP X 43 27.016 6.472 -0.545 1.00 0.00 H new ATOM 0 HA TRP X 43 24.439 5.268 0.269 1.00 0.00 H new ATOM 0 HB2 TRP X 43 26.950 4.706 1.250 1.00 0.00 H new ATOM 0 HB3 TRP X 43 26.467 6.003 2.325 1.00 0.00 H new ATOM 0 HD1 TRP X 43 23.584 5.623 2.981 1.00 0.00 H new ATOM 0 HE1 TRP X 43 22.585 3.488 4.044 1.00 0.00 H new ATOM 0 HE3 TRP X 43 27.232 2.325 1.675 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 23.318 0.700 4.267 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 27.067 -0.055 2.311 1.00 0.00 H new ATOM 0 HH2 TRP X 43 25.120 -0.876 3.608 1.00 0.00 H new ATOM 659 N THR X 44 23.612 7.330 1.479 1.00 0.00 N ATOM 660 CA THR X 44 23.056 8.594 1.942 1.00 0.00 C ATOM 661 C THR X 44 22.464 8.437 3.337 1.00 0.00 C ATOM 662 O THR X 44 21.953 7.375 3.690 1.00 0.00 O ATOM 663 CB THR X 44 21.968 9.072 0.979 1.00 0.00 C ATOM 664 OG1 THR X 44 21.048 9.898 1.679 1.00 0.00 O ATOM 665 CG2 THR X 44 21.232 7.864 0.396 1.00 0.00 C ATOM 0 H THR X 44 22.995 6.526 1.594 1.00 0.00 H new ATOM 0 HA THR X 44 23.859 9.330 1.978 1.00 0.00 H new ATOM 0 HB THR X 44 22.424 9.641 0.169 1.00 0.00 H new ATOM 0 HG1 THR X 44 20.351 10.206 1.063 1.00 0.00 H new ATOM 0 HG21 THR X 44 20.457 8.206 -0.290 1.00 0.00 H new ATOM 0 HG22 THR X 44 21.939 7.232 -0.141 1.00 0.00 H new ATOM 0 HG23 THR X 44 20.775 7.292 1.203 1.00 0.00 H new ATOM 673 N TYR X 45 22.535 9.504 4.125 1.00 0.00 N ATOM 674 CA TYR X 45 22.000 9.474 5.480 1.00 0.00 C ATOM 675 C TYR X 45 21.197 10.741 5.758 1.00 0.00 C ATOM 676 O TYR X 45 21.719 11.851 5.662 1.00 0.00 O ATOM 677 CB TYR X 45 23.143 9.352 6.490 1.00 0.00 C ATOM 678 CG TYR X 45 22.650 9.719 7.871 1.00 0.00 C ATOM 679 CD1 TYR X 45 21.414 9.243 8.328 1.00 0.00 C ATOM 680 CD2 TYR X 45 23.434 10.536 8.697 1.00 0.00 C ATOM 681 CE1 TYR X 45 20.964 9.583 9.609 1.00 0.00 C ATOM 682 CE2 TYR X 45 22.981 10.875 9.977 1.00 0.00 C ATOM 683 CZ TYR X 45 21.747 10.399 10.433 1.00 0.00 C ATOM 684 OH TYR X 45 21.302 10.733 11.696 1.00 0.00 O ATOM 0 H TYR X 45 22.954 10.393 3.852 1.00 0.00 H new ATOM 0 HA TYR X 45 21.342 8.611 5.578 1.00 0.00 H new ATOM 0 HB2 TYR X 45 23.531 8.334 6.492 1.00 0.00 H new ATOM 0 HB3 TYR X 45 23.966 10.006 6.202 1.00 0.00 H new ATOM 0 HD1 TYR X 45 20.809 8.614 7.692 1.00 0.00 H new ATOM 0 HD2 TYR X 45 24.387 10.904 8.346 1.00 0.00 H new ATOM 0 HE1 TYR X 45 20.012 9.215 9.962 1.00 0.00 H new ATOM 0 HE2 TYR X 45 23.585 11.505 10.614 1.00 0.00 H new ATOM 0 HH TYR X 45 21.966 11.304 12.136 1.00 0.00 H new ATOM 694 N ASP X 46 19.925 10.567 6.101 1.00 0.00 N ATOM 695 CA ASP X 46 19.060 11.704 6.389 1.00 0.00 C ATOM 696 C ASP X 46 18.607 11.678 7.845 1.00 0.00 C ATOM 697 O ASP X 46 18.120 10.658 8.334 1.00 0.00 O ATOM 698 CB ASP X 46 17.836 11.675 5.471 1.00 0.00 C ATOM 699 CG ASP X 46 18.244 11.227 4.072 1.00 0.00 C ATOM 700 OD1 ASP X 46 18.860 12.015 3.375 1.00 0.00 O ATOM 701 OD2 ASP X 46 17.935 10.101 3.718 1.00 0.00 O ATOM 0 H ASP X 46 19.473 9.656 6.186 1.00 0.00 H new ATOM 0 HA ASP X 46 19.625 12.620 6.213 1.00 0.00 H new ATOM 0 HB2 ASP X 46 17.085 10.996 5.874 1.00 0.00 H new ATOM 0 HB3 ASP X 46 17.381 12.664 5.427 1.00 0.00 H new ATOM 706 N ASP X 47 18.774 12.802 8.532 1.00 0.00 N ATOM 707 CA ASP X 47 18.384 12.896 9.933 1.00 0.00 C ATOM 708 C ASP X 47 16.871 13.041 10.064 1.00 0.00 C ATOM 709 O ASP X 47 16.278 12.609 11.053 1.00 0.00 O ATOM 710 CB ASP X 47 19.065 14.103 10.578 1.00 0.00 C ATOM 711 CG ASP X 47 18.583 15.389 9.916 1.00 0.00 C ATOM 712 OD1 ASP X 47 17.964 15.298 8.870 1.00 0.00 O ATOM 713 OD2 ASP X 47 18.841 16.448 10.467 1.00 0.00 O ATOM 0 H ASP X 47 19.174 13.656 8.144 1.00 0.00 H new ATOM 0 HA ASP X 47 18.695 11.982 10.439 1.00 0.00 H new ATOM 0 HB2 ASP X 47 18.844 14.129 11.645 1.00 0.00 H new ATOM 0 HB3 ASP X 47 20.147 14.017 10.479 1.00 0.00 H new ATOM 718 N ALA X 48 16.255 13.661 9.064 1.00 0.00 N ATOM 719 CA ALA X 48 14.811 13.870 9.079 1.00 0.00 C ATOM 720 C ALA X 48 14.072 12.558 8.839 1.00 0.00 C ATOM 721 O ALA X 48 12.973 12.352 9.353 1.00 0.00 O ATOM 722 CB ALA X 48 14.417 14.882 8.002 1.00 0.00 C ATOM 0 H ALA X 48 16.729 14.026 8.238 1.00 0.00 H new ATOM 0 HA ALA X 48 14.533 14.255 10.060 1.00 0.00 H new ATOM 0 HB1 ALA X 48 13.337 15.032 8.021 1.00 0.00 H new ATOM 0 HB2 ALA X 48 14.918 15.831 8.194 1.00 0.00 H new ATOM 0 HB3 ALA X 48 14.714 14.506 7.023 1.00 0.00 H new ATOM 728 N THR X 49 14.680 11.673 8.057 1.00 0.00 N ATOM 729 CA THR X 49 14.061 10.387 7.760 1.00 0.00 C ATOM 730 C THR X 49 14.820 9.254 8.435 1.00 0.00 C ATOM 731 O THR X 49 14.420 8.093 8.353 1.00 0.00 O ATOM 732 CB THR X 49 14.036 10.151 6.252 1.00 0.00 C ATOM 733 OG1 THR X 49 14.110 11.400 5.578 1.00 0.00 O ATOM 734 CG2 THR X 49 12.740 9.436 5.868 1.00 0.00 C ATOM 0 H THR X 49 15.591 11.820 7.622 1.00 0.00 H new ATOM 0 HA THR X 49 13.041 10.406 8.143 1.00 0.00 H new ATOM 0 HB THR X 49 14.887 9.533 5.965 1.00 0.00 H new ATOM 0 HG1 THR X 49 14.096 11.250 4.610 1.00 0.00 H new ATOM 0 HG21 THR X 49 12.723 9.268 4.791 1.00 0.00 H new ATOM 0 HG22 THR X 49 12.686 8.478 6.386 1.00 0.00 H new ATOM 0 HG23 THR X 49 11.887 10.052 6.153 1.00 0.00 H new ATOM 742 N LYS X 50 15.919 9.595 9.100 1.00 0.00 N ATOM 743 CA LYS X 50 16.722 8.592 9.787 1.00 0.00 C ATOM 744 C LYS X 50 16.713 7.281 9.012 1.00 0.00 C ATOM 745 O LYS X 50 16.546 6.207 9.591 1.00 0.00 O ATOM 746 CB LYS X 50 16.164 8.362 11.190 1.00 0.00 C ATOM 747 CG LYS X 50 14.648 8.566 11.169 1.00 0.00 C ATOM 748 CD LYS X 50 14.089 8.379 12.575 1.00 0.00 C ATOM 749 CE LYS X 50 13.825 9.747 13.207 1.00 0.00 C ATOM 750 NZ LYS X 50 13.057 9.569 14.472 1.00 0.00 N ATOM 0 H LYS X 50 16.271 10.549 9.177 1.00 0.00 H new ATOM 0 HA LYS X 50 17.749 8.952 9.856 1.00 0.00 H new ATOM 0 HB2 LYS X 50 16.402 7.354 11.528 1.00 0.00 H new ATOM 0 HB3 LYS X 50 16.626 9.052 11.896 1.00 0.00 H new ATOM 0 HG2 LYS X 50 14.410 9.564 10.802 1.00 0.00 H new ATOM 0 HG3 LYS X 50 14.184 7.856 10.485 1.00 0.00 H new ATOM 0 HD2 LYS X 50 13.166 7.800 12.537 1.00 0.00 H new ATOM 0 HD3 LYS X 50 14.794 7.815 13.186 1.00 0.00 H new ATOM 0 HE2 LYS X 50 14.768 10.254 13.410 1.00 0.00 H new ATOM 0 HE3 LYS X 50 13.266 10.378 12.515 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 12.407 10.371 14.599 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 12.511 8.685 14.425 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 13.716 9.527 15.275 1.00 0.00 H new ATOM 764 N THR X 51 16.887 7.376 7.700 1.00 0.00 N ATOM 765 CA THR X 51 16.890 6.193 6.853 1.00 0.00 C ATOM 766 C THR X 51 18.154 6.144 6.000 1.00 0.00 C ATOM 767 O THR X 51 18.600 7.165 5.476 1.00 0.00 O ATOM 768 CB THR X 51 15.662 6.206 5.940 1.00 0.00 C ATOM 769 OG1 THR X 51 14.517 5.810 6.682 1.00 0.00 O ATOM 770 CG2 THR X 51 15.878 5.239 4.776 1.00 0.00 C ATOM 0 H THR X 51 17.027 8.255 7.203 1.00 0.00 H new ATOM 0 HA THR X 51 16.863 5.311 7.493 1.00 0.00 H new ATOM 0 HB THR X 51 15.511 7.212 5.549 1.00 0.00 H new ATOM 0 HG1 THR X 51 14.315 6.489 7.359 1.00 0.00 H new ATOM 0 HG21 THR X 51 15.002 5.250 4.127 1.00 0.00 H new ATOM 0 HG22 THR X 51 16.756 5.545 4.207 1.00 0.00 H new ATOM 0 HG23 THR X 51 16.030 4.232 5.163 1.00 0.00 H new ATOM 778 N PHE X 52 18.723 4.951 5.860 1.00 0.00 N ATOM 779 CA PHE X 52 19.934 4.779 5.063 1.00 0.00 C ATOM 780 C PHE X 52 19.683 3.801 3.919 1.00 0.00 C ATOM 781 O PHE X 52 19.129 2.724 4.124 1.00 0.00 O ATOM 782 CB PHE X 52 21.068 4.243 5.938 1.00 0.00 C ATOM 783 CG PHE X 52 21.228 5.113 7.161 1.00 0.00 C ATOM 784 CD1 PHE X 52 20.229 5.136 8.143 1.00 0.00 C ATOM 785 CD2 PHE X 52 22.380 5.892 7.318 1.00 0.00 C ATOM 786 CE1 PHE X 52 20.383 5.940 9.278 1.00 0.00 C ATOM 787 CE2 PHE X 52 22.535 6.696 8.453 1.00 0.00 C ATOM 788 CZ PHE X 52 21.536 6.719 9.434 1.00 0.00 C ATOM 0 H PHE X 52 18.369 4.094 6.285 1.00 0.00 H new ATOM 0 HA PHE X 52 20.215 5.750 4.654 1.00 0.00 H new ATOM 0 HB2 PHE X 52 20.855 3.217 6.236 1.00 0.00 H new ATOM 0 HB3 PHE X 52 21.999 4.223 5.371 1.00 0.00 H new ATOM 0 HD1 PHE X 52 19.341 4.534 8.024 1.00 0.00 H new ATOM 0 HD2 PHE X 52 23.151 5.873 6.562 1.00 0.00 H new ATOM 0 HE1 PHE X 52 19.612 5.960 10.034 1.00 0.00 H new ATOM 0 HE2 PHE X 52 23.424 7.298 8.572 1.00 0.00 H new ATOM 0 HZ PHE X 52 21.655 7.338 10.311 1.00 0.00 H new ATOM 798 N THR X 53 20.094 4.184 2.716 1.00 0.00 N ATOM 799 CA THR X 53 19.912 3.334 1.541 1.00 0.00 C ATOM 800 C THR X 53 21.099 3.486 0.598 1.00 0.00 C ATOM 801 O THR X 53 21.817 4.484 0.656 1.00 0.00 O ATOM 802 CB THR X 53 18.626 3.727 0.809 1.00 0.00 C ATOM 803 OG1 THR X 53 17.517 3.086 1.425 1.00 0.00 O ATOM 804 CG2 THR X 53 18.717 3.295 -0.656 1.00 0.00 C ATOM 0 H THR X 53 20.554 5.074 2.527 1.00 0.00 H new ATOM 0 HA THR X 53 19.842 2.296 1.865 1.00 0.00 H new ATOM 0 HB THR X 53 18.496 4.808 0.859 1.00 0.00 H new ATOM 0 HG1 THR X 53 17.766 2.798 2.328 1.00 0.00 H new ATOM 0 HG21 THR X 53 17.801 3.575 -1.176 1.00 0.00 H new ATOM 0 HG22 THR X 53 19.567 3.787 -1.128 1.00 0.00 H new ATOM 0 HG23 THR X 53 18.848 2.214 -0.709 1.00 0.00 H new ATOM 812 N VAL X 54 21.306 2.505 -0.273 1.00 0.00 N ATOM 813 CA VAL X 54 22.418 2.569 -1.217 1.00 0.00 C ATOM 814 C VAL X 54 21.931 2.332 -2.641 1.00 0.00 C ATOM 815 O VAL X 54 21.289 1.322 -2.928 1.00 0.00 O ATOM 816 CB VAL X 54 23.473 1.524 -0.855 1.00 0.00 C ATOM 817 CG1 VAL X 54 24.857 2.034 -1.263 1.00 0.00 C ATOM 818 CG2 VAL X 54 23.447 1.276 0.655 1.00 0.00 C ATOM 0 H VAL X 54 20.729 1.667 -0.346 1.00 0.00 H new ATOM 0 HA VAL X 54 22.859 3.564 -1.159 1.00 0.00 H new ATOM 0 HB VAL X 54 23.258 0.594 -1.381 1.00 0.00 H new ATOM 0 HG11 VAL X 54 25.610 1.289 -1.005 1.00 0.00 H new ATOM 0 HG12 VAL X 54 24.877 2.213 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL X 54 25.072 2.964 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL X 54 24.199 0.531 0.914 1.00 0.00 H new ATOM 0 HG22 VAL X 54 23.662 2.207 1.180 1.00 0.00 H new ATOM 0 HG23 VAL X 54 22.461 0.914 0.947 1.00 0.00 H new ATOM 828 N THR X 55 22.249 3.262 -3.529 1.00 0.00 N ATOM 829 CA THR X 55 21.849 3.143 -4.921 1.00 0.00 C ATOM 830 C THR X 55 23.067 3.267 -5.827 1.00 0.00 C ATOM 831 O THR X 55 23.857 4.201 -5.691 1.00 0.00 O ATOM 832 CB THR X 55 20.842 4.238 -5.261 1.00 0.00 C ATOM 833 OG1 THR X 55 19.944 4.408 -4.174 1.00 0.00 O ATOM 834 CG2 THR X 55 20.061 3.840 -6.514 1.00 0.00 C ATOM 0 H THR X 55 22.781 4.104 -3.311 1.00 0.00 H new ATOM 0 HA THR X 55 21.389 2.167 -5.076 1.00 0.00 H new ATOM 0 HB THR X 55 21.369 5.174 -5.445 1.00 0.00 H new ATOM 0 HG1 THR X 55 19.298 5.112 -4.391 1.00 0.00 H new ATOM 0 HG21 THR X 55 19.341 4.622 -6.758 1.00 0.00 H new ATOM 0 HG22 THR X 55 20.752 3.710 -7.347 1.00 0.00 H new ATOM 0 HG23 THR X 55 19.533 2.904 -6.331 1.00 0.00 H new ATOM 842 N GLU X 56 23.220 2.324 -6.749 1.00 0.00 N ATOM 843 CA GLU X 56 24.353 2.350 -7.664 1.00 0.00 C ATOM 844 C GLU X 56 23.941 2.930 -9.012 1.00 0.00 C ATOM 845 O GLU X 56 24.823 3.225 -9.803 1.00 0.00 O ATOM 846 CB GLU X 56 24.898 0.935 -7.859 1.00 0.00 C ATOM 847 CG GLU X 56 24.447 0.050 -6.695 1.00 0.00 C ATOM 848 CD GLU X 56 25.059 -1.340 -6.830 1.00 0.00 C ATOM 849 OE1 GLU X 56 26.060 -1.461 -7.515 1.00 0.00 O ATOM 850 OE2 GLU X 56 24.517 -2.263 -6.244 1.00 0.00 O ATOM 851 OXT GLU X 56 22.750 3.072 -9.236 1.00 0.00 O ATOM 0 H GLU X 56 22.581 1.540 -6.882 1.00 0.00 H new ATOM 0 HA GLU X 56 25.130 2.982 -7.233 1.00 0.00 H new ATOM 0 HB2 GLU X 56 24.541 0.523 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU X 56 25.986 0.957 -7.913 1.00 0.00 H new ATOM 0 HG2 GLU X 56 24.748 0.499 -5.748 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.359 -0.022 -6.682 1.00 0.00 H new