USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 409 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= -4.63! C(o=-4.6!,f=-12!) USER MOD Set 1.2: X 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: X 3 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: X 50 LYS NZ :NH3+ 151:sc= 0.0923 (180deg=-0.505) USER MOD Single : X 2 GLN : amide:sc= -1.1 K(o=-1.1,f=0.76) USER MOD Single : X 4 LYS NZ :NH3+ 173:sc= -1.01 (180deg=-1.2) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0 USER MOD Single : X 13 LYS NZ :NH3+ -170:sc= -12.7! (180deg=-14!) USER MOD Single : X 16 THR OG1 : rot -127:sc= -2.47 USER MOD Single : X 17 THR OG1 : rot 180:sc= -0.076 USER MOD Single : X 18 THR OG1 : rot 180:sc= 0 USER MOD Single : X 25 THR OG1 : rot 180:sc= 0 USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 K(o=0,f=-2.3!) USER MOD Single : X 37 ASN : amide:sc= -11! C(o=-11!,f=-30!) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.179 USER MOD Single : X 45 TYR OH : rot -152:sc= -0.352 USER MOD Single : X 49 THR OG1 : rot -102:sc= 0.781 USER MOD Single : X 51 THR OG1 : rot 70:sc= 1.15 USER MOD Single : X 53 THR OG1 : rot 180:sc= -2.98! USER MOD ----------------------------------------------------------------- ATOM 20 N GLN X 2 26.172 -8.882 -5.503 1.00 0.00 N ATOM 21 CA GLN X 2 25.362 -8.066 -6.409 1.00 0.00 C ATOM 22 C GLN X 2 26.047 -7.899 -7.761 1.00 0.00 C ATOM 23 O GLN X 2 27.254 -7.665 -7.836 1.00 0.00 O ATOM 24 CB GLN X 2 25.127 -6.688 -5.788 1.00 0.00 C ATOM 25 CG GLN X 2 24.161 -6.814 -4.609 1.00 0.00 C ATOM 26 CD GLN X 2 23.961 -5.448 -3.946 1.00 0.00 C ATOM 27 OE1 GLN X 2 23.042 -5.279 -3.144 1.00 0.00 O ATOM 28 NE2 GLN X 2 24.768 -4.454 -4.234 1.00 0.00 N ATOM 0 HA GLN X 2 24.410 -8.574 -6.564 1.00 0.00 H new ATOM 0 HB2 GLN X 2 26.073 -6.263 -5.452 1.00 0.00 H new ATOM 0 HB3 GLN X 2 24.719 -6.007 -6.534 1.00 0.00 H new ATOM 0 HG2 GLN X 2 23.203 -7.204 -4.953 1.00 0.00 H new ATOM 0 HG3 GLN X 2 24.552 -7.526 -3.882 1.00 0.00 H new ATOM 0 HE21 GLN X 2 25.530 -4.592 -4.898 1.00 0.00 H new ATOM 0 HE22 GLN X 2 24.633 -3.544 -3.794 1.00 0.00 H new ATOM 37 N TYR X 3 25.256 -7.995 -8.827 1.00 0.00 N ATOM 38 CA TYR X 3 25.760 -7.831 -10.186 1.00 0.00 C ATOM 39 C TYR X 3 25.112 -6.608 -10.807 1.00 0.00 C ATOM 40 O TYR X 3 23.929 -6.360 -10.589 1.00 0.00 O ATOM 41 CB TYR X 3 25.410 -9.056 -11.026 1.00 0.00 C ATOM 42 CG TYR X 3 26.204 -10.246 -10.543 1.00 0.00 C ATOM 43 CD1 TYR X 3 27.594 -10.272 -10.710 1.00 0.00 C ATOM 44 CD2 TYR X 3 25.550 -11.332 -9.944 1.00 0.00 C ATOM 45 CE1 TYR X 3 28.328 -11.381 -10.279 1.00 0.00 C ATOM 46 CE2 TYR X 3 26.287 -12.440 -9.512 1.00 0.00 C ATOM 47 CZ TYR X 3 27.676 -12.465 -9.679 1.00 0.00 C ATOM 48 OH TYR X 3 28.403 -13.560 -9.256 1.00 0.00 O ATOM 0 H TYR X 3 24.256 -8.187 -8.773 1.00 0.00 H new ATOM 0 HA TYR X 3 26.843 -7.713 -10.156 1.00 0.00 H new ATOM 0 HB2 TYR X 3 24.343 -9.265 -10.955 1.00 0.00 H new ATOM 0 HB3 TYR X 3 25.628 -8.863 -12.077 1.00 0.00 H new ATOM 0 HD1 TYR X 3 28.099 -9.436 -11.171 1.00 0.00 H new ATOM 0 HD2 TYR X 3 24.478 -11.313 -9.816 1.00 0.00 H new ATOM 0 HE1 TYR X 3 29.400 -11.402 -10.409 1.00 0.00 H new ATOM 0 HE2 TYR X 3 25.784 -13.276 -9.050 1.00 0.00 H new ATOM 0 HH TYR X 3 27.798 -14.222 -8.861 1.00 0.00 H new ATOM 58 N LYS X 4 25.881 -5.844 -11.578 1.00 0.00 N ATOM 59 CA LYS X 4 25.353 -4.635 -12.224 1.00 0.00 C ATOM 60 C LYS X 4 25.465 -4.752 -13.738 1.00 0.00 C ATOM 61 O LYS X 4 26.539 -5.029 -14.270 1.00 0.00 O ATOM 62 CB LYS X 4 26.138 -3.409 -11.745 1.00 0.00 C ATOM 63 CG LYS X 4 25.459 -2.124 -12.238 1.00 0.00 C ATOM 64 CD LYS X 4 26.254 -0.906 -11.741 1.00 0.00 C ATOM 65 CE LYS X 4 25.749 0.368 -12.429 1.00 0.00 C ATOM 66 NZ LYS X 4 24.476 0.807 -11.793 1.00 0.00 N ATOM 0 H LYS X 4 26.864 -6.034 -11.773 1.00 0.00 H new ATOM 0 HA LYS X 4 24.303 -4.524 -11.955 1.00 0.00 H new ATOM 0 HB2 LYS X 4 26.194 -3.406 -10.656 1.00 0.00 H new ATOM 0 HB3 LYS X 4 27.162 -3.455 -12.117 1.00 0.00 H new ATOM 0 HG2 LYS X 4 25.409 -2.120 -13.327 1.00 0.00 H new ATOM 0 HG3 LYS X 4 24.433 -2.077 -11.872 1.00 0.00 H new ATOM 0 HD2 LYS X 4 26.151 -0.811 -10.660 1.00 0.00 H new ATOM 0 HD3 LYS X 4 27.315 -1.045 -11.949 1.00 0.00 H new ATOM 0 HE2 LYS X 4 26.497 1.157 -12.351 1.00 0.00 H new ATOM 0 HE3 LYS X 4 25.591 0.182 -13.491 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 24.196 1.732 -12.178 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 23.730 0.110 -11.991 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 24.611 0.887 -10.765 1.00 0.00 H new ATOM 80 N LEU X 5 24.345 -4.536 -14.428 1.00 0.00 N ATOM 81 CA LEU X 5 24.315 -4.613 -15.891 1.00 0.00 C ATOM 82 C LEU X 5 24.292 -3.207 -16.491 1.00 0.00 C ATOM 83 O LEU X 5 23.459 -2.382 -16.113 1.00 0.00 O ATOM 84 CB LEU X 5 23.052 -5.385 -16.340 1.00 0.00 C ATOM 85 CG LEU X 5 23.341 -6.328 -17.525 1.00 0.00 C ATOM 86 CD1 LEU X 5 22.004 -6.827 -18.080 1.00 0.00 C ATOM 87 CD2 LEU X 5 24.127 -5.599 -18.640 1.00 0.00 C ATOM 0 H LEU X 5 23.448 -4.307 -14.000 1.00 0.00 H new ATOM 0 HA LEU X 5 25.207 -5.134 -16.238 1.00 0.00 H new ATOM 0 HB2 LEU X 5 22.665 -5.964 -15.502 1.00 0.00 H new ATOM 0 HB3 LEU X 5 22.275 -4.675 -16.623 1.00 0.00 H new ATOM 0 HG LEU X 5 23.950 -7.163 -17.178 1.00 0.00 H new ATOM 0 HD11 LEU X 5 22.186 -7.497 -18.920 1.00 0.00 H new ATOM 0 HD12 LEU X 5 21.463 -7.363 -17.300 1.00 0.00 H new ATOM 0 HD13 LEU X 5 21.409 -5.977 -18.415 1.00 0.00 H new ATOM 0 HD21 LEU X 5 24.316 -6.289 -19.462 1.00 0.00 H new ATOM 0 HD22 LEU X 5 23.543 -4.753 -19.003 1.00 0.00 H new ATOM 0 HD23 LEU X 5 25.076 -5.241 -18.241 1.00 0.00 H new ATOM 99 N ILE X 6 25.179 -2.945 -17.448 1.00 0.00 N ATOM 100 CA ILE X 6 25.206 -1.642 -18.111 1.00 0.00 C ATOM 101 C ILE X 6 24.527 -1.751 -19.458 1.00 0.00 C ATOM 102 O ILE X 6 24.849 -2.624 -20.263 1.00 0.00 O ATOM 103 CB ILE X 6 26.636 -1.153 -18.305 1.00 0.00 C ATOM 104 CG1 ILE X 6 27.379 -1.167 -16.962 1.00 0.00 C ATOM 105 CG2 ILE X 6 26.605 0.268 -18.870 1.00 0.00 C ATOM 106 CD1 ILE X 6 26.578 -0.414 -15.892 1.00 0.00 C ATOM 0 H ILE X 6 25.880 -3.607 -17.779 1.00 0.00 H new ATOM 0 HA ILE X 6 24.680 -0.925 -17.481 1.00 0.00 H new ATOM 0 HB ILE X 6 27.157 -1.811 -19.000 1.00 0.00 H new ATOM 0 HG12 ILE X 6 27.544 -2.196 -16.643 1.00 0.00 H new ATOM 0 HG13 ILE X 6 28.361 -0.708 -17.079 1.00 0.00 H new ATOM 0 HG21 ILE X 6 27.625 0.625 -19.012 1.00 0.00 H new ATOM 0 HG22 ILE X 6 26.084 0.268 -19.828 1.00 0.00 H new ATOM 0 HG23 ILE X 6 26.084 0.925 -18.174 1.00 0.00 H new ATOM 0 HD11 ILE X 6 27.122 -0.436 -14.948 1.00 0.00 H new ATOM 0 HD12 ILE X 6 26.435 0.620 -16.205 1.00 0.00 H new ATOM 0 HD13 ILE X 6 25.607 -0.891 -15.762 1.00 0.00 H new ATOM 118 N LEU X 7 23.570 -0.870 -19.683 1.00 0.00 N ATOM 119 CA LEU X 7 22.812 -0.871 -20.927 1.00 0.00 C ATOM 120 C LEU X 7 23.441 0.082 -21.936 1.00 0.00 C ATOM 121 O LEU X 7 23.404 1.301 -21.770 1.00 0.00 O ATOM 122 CB LEU X 7 21.354 -0.445 -20.655 1.00 0.00 C ATOM 123 CG LEU X 7 20.507 -1.639 -20.165 1.00 0.00 C ATOM 124 CD1 LEU X 7 20.727 -1.874 -18.662 1.00 0.00 C ATOM 125 CD2 LEU X 7 19.022 -1.340 -20.423 1.00 0.00 C ATOM 0 H LEU X 7 23.297 -0.143 -19.022 1.00 0.00 H new ATOM 0 HA LEU X 7 22.825 -1.880 -21.339 1.00 0.00 H new ATOM 0 HB2 LEU X 7 21.337 0.348 -19.907 1.00 0.00 H new ATOM 0 HB3 LEU X 7 20.916 -0.034 -21.565 1.00 0.00 H new ATOM 0 HG LEU X 7 20.809 -2.535 -20.707 1.00 0.00 H new ATOM 0 HD11 LEU X 7 20.122 -2.719 -18.334 1.00 0.00 H new ATOM 0 HD12 LEU X 7 21.780 -2.088 -18.477 1.00 0.00 H new ATOM 0 HD13 LEU X 7 20.435 -0.982 -18.108 1.00 0.00 H new ATOM 0 HD21 LEU X 7 18.417 -2.179 -20.079 1.00 0.00 H new ATOM 0 HD22 LEU X 7 18.733 -0.439 -19.882 1.00 0.00 H new ATOM 0 HD23 LEU X 7 18.861 -1.190 -21.491 1.00 0.00 H new ATOM 137 N ASN X 8 23.989 -0.494 -22.997 1.00 0.00 N ATOM 138 CA ASN X 8 24.596 0.277 -24.068 1.00 0.00 C ATOM 139 C ASN X 8 24.120 -0.291 -25.398 1.00 0.00 C ATOM 140 O ASN X 8 24.759 -1.174 -25.972 1.00 0.00 O ATOM 141 CB ASN X 8 26.121 0.208 -23.971 1.00 0.00 C ATOM 142 CG ASN X 8 26.578 -1.203 -23.607 1.00 0.00 C ATOM 143 OD1 ASN X 8 25.897 -1.912 -22.867 1.00 0.00 O ATOM 144 ND2 ASN X 8 27.707 -1.651 -24.081 1.00 0.00 N ATOM 0 H ASN X 8 24.024 -1.504 -23.137 1.00 0.00 H new ATOM 0 HA ASN X 8 24.302 1.324 -23.988 1.00 0.00 H new ATOM 0 HB2 ASN X 8 26.564 0.505 -24.922 1.00 0.00 H new ATOM 0 HB3 ASN X 8 26.474 0.915 -23.220 1.00 0.00 H new ATOM 0 HD21 ASN X 8 28.026 -2.589 -23.838 1.00 0.00 H new ATOM 0 HD22 ASN X 8 28.272 -1.063 -24.694 1.00 0.00 H new ATOM 151 N GLY X 9 22.976 0.208 -25.874 1.00 0.00 N ATOM 152 CA GLY X 9 22.398 -0.268 -27.131 1.00 0.00 C ATOM 153 C GLY X 9 22.137 0.880 -28.091 1.00 0.00 C ATOM 154 O GLY X 9 22.757 1.939 -27.994 1.00 0.00 O ATOM 0 H GLY X 9 22.435 0.938 -25.410 1.00 0.00 H new ATOM 0 HA2 GLY X 9 23.074 -0.986 -27.595 1.00 0.00 H new ATOM 0 HA3 GLY X 9 21.465 -0.794 -26.928 1.00 0.00 H new ATOM 158 N LYS X 10 21.222 0.656 -29.027 1.00 0.00 N ATOM 159 CA LYS X 10 20.894 1.675 -30.018 1.00 0.00 C ATOM 160 C LYS X 10 19.936 2.732 -29.445 1.00 0.00 C ATOM 161 O LYS X 10 20.178 3.929 -29.601 1.00 0.00 O ATOM 162 CB LYS X 10 20.276 1.017 -31.261 1.00 0.00 C ATOM 163 CG LYS X 10 21.083 -0.229 -31.638 1.00 0.00 C ATOM 164 CD LYS X 10 20.479 -0.869 -32.890 1.00 0.00 C ATOM 165 CE LYS X 10 21.040 -2.282 -33.062 1.00 0.00 C ATOM 166 NZ LYS X 10 20.372 -2.944 -34.219 1.00 0.00 N ATOM 0 H LYS X 10 20.698 -0.214 -29.121 1.00 0.00 H new ATOM 0 HA LYS X 10 21.817 2.182 -30.298 1.00 0.00 H new ATOM 0 HB2 LYS X 10 19.239 0.745 -31.063 1.00 0.00 H new ATOM 0 HB3 LYS X 10 20.268 1.722 -32.092 1.00 0.00 H new ATOM 0 HG2 LYS X 10 22.123 0.040 -31.820 1.00 0.00 H new ATOM 0 HG3 LYS X 10 21.078 -0.942 -30.814 1.00 0.00 H new ATOM 0 HD2 LYS X 10 19.393 -0.905 -32.805 1.00 0.00 H new ATOM 0 HD3 LYS X 10 20.710 -0.265 -33.768 1.00 0.00 H new ATOM 0 HE2 LYS X 10 22.117 -2.240 -33.225 1.00 0.00 H new ATOM 0 HE3 LYS X 10 20.878 -2.862 -32.154 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 20.753 -3.905 -34.337 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 19.348 -2.996 -34.045 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 20.549 -2.393 -35.083 1.00 0.00 H new ATOM 180 N THR X 11 18.840 2.297 -28.802 1.00 0.00 N ATOM 181 CA THR X 11 17.859 3.239 -28.241 1.00 0.00 C ATOM 182 C THR X 11 17.515 2.919 -26.788 1.00 0.00 C ATOM 183 O THR X 11 16.489 3.373 -26.282 1.00 0.00 O ATOM 184 CB THR X 11 16.577 3.195 -29.075 1.00 0.00 C ATOM 185 OG1 THR X 11 16.110 1.856 -29.151 1.00 0.00 O ATOM 186 CG2 THR X 11 16.867 3.719 -30.478 1.00 0.00 C ATOM 0 H THR X 11 18.613 1.313 -28.659 1.00 0.00 H new ATOM 0 HA THR X 11 18.307 4.232 -28.269 1.00 0.00 H new ATOM 0 HB THR X 11 15.814 3.818 -28.608 1.00 0.00 H new ATOM 0 HG1 THR X 11 15.288 1.826 -29.683 1.00 0.00 H new ATOM 0 HG21 THR X 11 15.955 3.688 -31.074 1.00 0.00 H new ATOM 0 HG22 THR X 11 17.225 4.747 -30.416 1.00 0.00 H new ATOM 0 HG23 THR X 11 17.629 3.097 -30.948 1.00 0.00 H new ATOM 194 N LEU X 12 18.360 2.140 -26.114 1.00 0.00 N ATOM 195 CA LEU X 12 18.104 1.778 -24.719 1.00 0.00 C ATOM 196 C LEU X 12 19.394 1.840 -23.892 1.00 0.00 C ATOM 197 O LEU X 12 20.257 0.968 -24.003 1.00 0.00 O ATOM 198 CB LEU X 12 17.493 0.360 -24.665 1.00 0.00 C ATOM 199 CG LEU X 12 16.387 0.280 -23.598 1.00 0.00 C ATOM 200 CD1 LEU X 12 15.936 -1.182 -23.429 1.00 0.00 C ATOM 201 CD2 LEU X 12 16.914 0.822 -22.254 1.00 0.00 C ATOM 0 H LEU X 12 19.218 1.751 -26.505 1.00 0.00 H new ATOM 0 HA LEU X 12 17.401 2.492 -24.290 1.00 0.00 H new ATOM 0 HB2 LEU X 12 17.083 0.099 -25.640 1.00 0.00 H new ATOM 0 HB3 LEU X 12 18.273 -0.368 -24.442 1.00 0.00 H new ATOM 0 HG LEU X 12 15.538 0.884 -23.917 1.00 0.00 H new ATOM 0 HD11 LEU X 12 15.153 -1.236 -22.673 1.00 0.00 H new ATOM 0 HD12 LEU X 12 15.551 -1.556 -24.378 1.00 0.00 H new ATOM 0 HD13 LEU X 12 16.785 -1.791 -23.117 1.00 0.00 H new ATOM 0 HD21 LEU X 12 16.126 0.762 -21.503 1.00 0.00 H new ATOM 0 HD22 LEU X 12 17.768 0.227 -21.931 1.00 0.00 H new ATOM 0 HD23 LEU X 12 17.221 1.861 -22.376 1.00 0.00 H new ATOM 213 N LYS X 13 19.506 2.872 -23.053 1.00 0.00 N ATOM 214 CA LYS X 13 20.680 3.051 -22.194 1.00 0.00 C ATOM 215 C LYS X 13 20.245 3.317 -20.749 1.00 0.00 C ATOM 216 O LYS X 13 19.293 4.057 -20.504 1.00 0.00 O ATOM 217 CB LYS X 13 21.526 4.238 -22.714 1.00 0.00 C ATOM 218 CG LYS X 13 22.501 3.789 -23.852 1.00 0.00 C ATOM 219 CD LYS X 13 22.155 4.466 -25.192 1.00 0.00 C ATOM 220 CE LYS X 13 20.932 3.791 -25.818 1.00 0.00 C ATOM 221 NZ LYS X 13 21.168 2.322 -25.932 1.00 0.00 N ATOM 0 H LYS X 13 18.797 3.598 -22.950 1.00 0.00 H new ATOM 0 HA LYS X 13 21.279 2.140 -22.217 1.00 0.00 H new ATOM 0 HB2 LYS X 13 20.866 5.022 -23.086 1.00 0.00 H new ATOM 0 HB3 LYS X 13 22.098 4.667 -21.891 1.00 0.00 H new ATOM 0 HG2 LYS X 13 23.526 4.035 -23.573 1.00 0.00 H new ATOM 0 HG3 LYS X 13 22.453 2.706 -23.967 1.00 0.00 H new ATOM 0 HD2 LYS X 13 21.954 5.525 -25.033 1.00 0.00 H new ATOM 0 HD3 LYS X 13 23.004 4.401 -25.872 1.00 0.00 H new ATOM 0 HE2 LYS X 13 20.049 3.980 -25.208 1.00 0.00 H new ATOM 0 HE3 LYS X 13 20.736 4.215 -26.803 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 20.415 1.893 -26.507 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 22.089 2.152 -26.385 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 21.165 1.895 -24.984 1.00 0.00 H new ATOM 235 N GLY X 14 20.955 2.706 -19.801 1.00 0.00 N ATOM 236 CA GLY X 14 20.639 2.882 -18.386 1.00 0.00 C ATOM 237 C GLY X 14 21.497 1.963 -17.509 1.00 0.00 C ATOM 238 O GLY X 14 22.584 1.546 -17.910 1.00 0.00 O ATOM 0 H GLY X 14 21.746 2.090 -19.986 1.00 0.00 H new ATOM 0 HA2 GLY X 14 20.804 3.921 -18.100 1.00 0.00 H new ATOM 0 HA3 GLY X 14 19.583 2.669 -18.217 1.00 0.00 H new ATOM 242 N GLU X 15 20.992 1.644 -16.310 1.00 0.00 N ATOM 243 CA GLU X 15 21.702 0.768 -15.375 1.00 0.00 C ATOM 244 C GLU X 15 20.744 -0.267 -14.803 1.00 0.00 C ATOM 245 O GLU X 15 19.544 -0.015 -14.686 1.00 0.00 O ATOM 246 CB GLU X 15 22.277 1.572 -14.209 1.00 0.00 C ATOM 247 CG GLU X 15 23.063 2.772 -14.726 1.00 0.00 C ATOM 248 CD GLU X 15 24.391 2.319 -15.319 1.00 0.00 C ATOM 249 OE1 GLU X 15 25.353 2.236 -14.576 1.00 0.00 O ATOM 250 OE2 GLU X 15 24.425 2.067 -16.513 1.00 0.00 O ATOM 0 H GLU X 15 20.093 1.981 -15.966 1.00 0.00 H new ATOM 0 HA GLU X 15 22.510 0.282 -15.923 1.00 0.00 H new ATOM 0 HB2 GLU X 15 21.470 1.911 -13.560 1.00 0.00 H new ATOM 0 HB3 GLU X 15 22.926 0.937 -13.606 1.00 0.00 H new ATOM 0 HG2 GLU X 15 22.480 3.299 -15.482 1.00 0.00 H new ATOM 0 HG3 GLU X 15 23.241 3.476 -13.913 1.00 0.00 H new ATOM 257 N THR X 16 21.279 -1.425 -14.431 1.00 0.00 N ATOM 258 CA THR X 16 20.451 -2.488 -13.849 1.00 0.00 C ATOM 259 C THR X 16 21.269 -3.289 -12.833 1.00 0.00 C ATOM 260 O THR X 16 22.451 -3.542 -13.049 1.00 0.00 O ATOM 261 CB THR X 16 19.929 -3.406 -14.977 1.00 0.00 C ATOM 262 OG1 THR X 16 19.885 -2.664 -16.183 1.00 0.00 O ATOM 263 CG2 THR X 16 18.519 -3.919 -14.657 1.00 0.00 C ATOM 0 H THR X 16 22.269 -1.655 -14.518 1.00 0.00 H new ATOM 0 HA THR X 16 19.599 -2.048 -13.331 1.00 0.00 H new ATOM 0 HB THR X 16 20.598 -4.262 -15.072 1.00 0.00 H new ATOM 0 HG1 THR X 16 18.991 -2.735 -16.578 1.00 0.00 H new ATOM 0 HG21 THR X 16 18.174 -4.563 -15.466 1.00 0.00 H new ATOM 0 HG22 THR X 16 18.541 -4.486 -13.726 1.00 0.00 H new ATOM 0 HG23 THR X 16 17.839 -3.073 -14.551 1.00 0.00 H new ATOM 271 N THR X 17 20.642 -3.691 -11.723 1.00 0.00 N ATOM 272 CA THR X 17 21.345 -4.469 -10.700 1.00 0.00 C ATOM 273 C THR X 17 20.417 -5.498 -10.063 1.00 0.00 C ATOM 274 O THR X 17 19.199 -5.332 -10.045 1.00 0.00 O ATOM 275 CB THR X 17 21.910 -3.538 -9.620 1.00 0.00 C ATOM 276 OG1 THR X 17 22.406 -2.356 -10.230 1.00 0.00 O ATOM 277 CG2 THR X 17 23.048 -4.243 -8.870 1.00 0.00 C ATOM 0 H THR X 17 19.664 -3.494 -11.512 1.00 0.00 H new ATOM 0 HA THR X 17 22.167 -4.998 -11.183 1.00 0.00 H new ATOM 0 HB THR X 17 21.120 -3.282 -8.914 1.00 0.00 H new ATOM 0 HG1 THR X 17 22.766 -1.759 -9.541 1.00 0.00 H new ATOM 0 HG21 THR X 17 23.446 -3.578 -8.104 1.00 0.00 H new ATOM 0 HG22 THR X 17 22.667 -5.150 -8.401 1.00 0.00 H new ATOM 0 HG23 THR X 17 23.840 -4.503 -9.572 1.00 0.00 H new ATOM 285 N THR X 18 21.016 -6.568 -9.543 1.00 0.00 N ATOM 286 CA THR X 18 20.260 -7.637 -8.904 1.00 0.00 C ATOM 287 C THR X 18 21.138 -8.386 -7.904 1.00 0.00 C ATOM 288 O THR X 18 22.360 -8.429 -8.045 1.00 0.00 O ATOM 289 CB THR X 18 19.723 -8.615 -9.957 1.00 0.00 C ATOM 290 OG1 THR X 18 18.817 -9.518 -9.339 1.00 0.00 O ATOM 291 CG2 THR X 18 20.881 -9.402 -10.580 1.00 0.00 C ATOM 0 H THR X 18 22.025 -6.715 -9.553 1.00 0.00 H new ATOM 0 HA THR X 18 19.419 -7.191 -8.373 1.00 0.00 H new ATOM 0 HB THR X 18 19.211 -8.055 -10.739 1.00 0.00 H new ATOM 0 HG1 THR X 18 18.470 -10.143 -10.009 1.00 0.00 H new ATOM 0 HG21 THR X 18 20.491 -10.094 -11.326 1.00 0.00 H new ATOM 0 HG22 THR X 18 21.577 -8.710 -11.055 1.00 0.00 H new ATOM 0 HG23 THR X 18 21.400 -9.962 -9.802 1.00 0.00 H new ATOM 299 N GLU X 19 20.502 -8.979 -6.898 1.00 0.00 N ATOM 300 CA GLU X 19 21.215 -9.737 -5.866 1.00 0.00 C ATOM 301 C GLU X 19 21.041 -11.233 -6.119 1.00 0.00 C ATOM 302 O GLU X 19 19.972 -11.793 -5.879 1.00 0.00 O ATOM 303 CB GLU X 19 20.637 -9.384 -4.488 1.00 0.00 C ATOM 304 CG GLU X 19 21.480 -10.022 -3.358 1.00 0.00 C ATOM 305 CD GLU X 19 22.571 -9.061 -2.891 1.00 0.00 C ATOM 306 OE1 GLU X 19 22.240 -7.931 -2.570 1.00 0.00 O ATOM 307 OE2 GLU X 19 23.720 -9.470 -2.862 1.00 0.00 O ATOM 0 H GLU X 19 19.490 -8.951 -6.772 1.00 0.00 H new ATOM 0 HA GLU X 19 22.275 -9.485 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU X 19 20.615 -8.301 -4.364 1.00 0.00 H new ATOM 0 HB3 GLU X 19 19.607 -9.733 -4.421 1.00 0.00 H new ATOM 0 HG2 GLU X 19 20.835 -10.283 -2.519 1.00 0.00 H new ATOM 0 HG3 GLU X 19 21.932 -10.948 -3.713 1.00 0.00 H new ATOM 314 N ALA X 20 22.105 -11.874 -6.613 1.00 0.00 N ATOM 315 CA ALA X 20 22.072 -13.311 -6.909 1.00 0.00 C ATOM 316 C ALA X 20 23.229 -14.031 -6.226 1.00 0.00 C ATOM 317 O ALA X 20 24.229 -13.415 -5.857 1.00 0.00 O ATOM 318 CB ALA X 20 22.170 -13.534 -8.421 1.00 0.00 C ATOM 0 H ALA X 20 22.997 -11.423 -6.816 1.00 0.00 H new ATOM 0 HA ALA X 20 21.131 -13.713 -6.533 1.00 0.00 H new ATOM 0 HB1 ALA X 20 22.145 -14.603 -8.634 1.00 0.00 H new ATOM 0 HB2 ALA X 20 21.330 -13.046 -8.916 1.00 0.00 H new ATOM 0 HB3 ALA X 20 23.104 -13.112 -8.791 1.00 0.00 H new ATOM 324 N VAL X 21 23.088 -15.343 -6.079 1.00 0.00 N ATOM 325 CA VAL X 21 24.124 -16.152 -5.458 1.00 0.00 C ATOM 326 C VAL X 21 25.211 -16.450 -6.482 1.00 0.00 C ATOM 327 O VAL X 21 26.402 -16.408 -6.172 1.00 0.00 O ATOM 328 CB VAL X 21 23.513 -17.460 -4.928 1.00 0.00 C ATOM 329 CG1 VAL X 21 22.479 -17.989 -5.924 1.00 0.00 C ATOM 330 CG2 VAL X 21 24.608 -18.517 -4.727 1.00 0.00 C ATOM 0 H VAL X 21 22.267 -15.867 -6.382 1.00 0.00 H new ATOM 0 HA VAL X 21 24.563 -15.609 -4.621 1.00 0.00 H new ATOM 0 HB VAL X 21 23.032 -17.257 -3.971 1.00 0.00 H new ATOM 0 HG11 VAL X 21 22.049 -18.916 -5.544 1.00 0.00 H new ATOM 0 HG12 VAL X 21 21.689 -17.250 -6.056 1.00 0.00 H new ATOM 0 HG13 VAL X 21 22.961 -18.179 -6.883 1.00 0.00 H new ATOM 0 HG21 VAL X 21 24.161 -19.437 -4.352 1.00 0.00 H new ATOM 0 HG22 VAL X 21 25.101 -18.715 -5.678 1.00 0.00 H new ATOM 0 HG23 VAL X 21 25.340 -18.150 -4.008 1.00 0.00 H new ATOM 340 N ASP X 22 24.786 -16.753 -7.705 1.00 0.00 N ATOM 341 CA ASP X 22 25.723 -17.067 -8.789 1.00 0.00 C ATOM 342 C ASP X 22 25.428 -16.214 -10.015 1.00 0.00 C ATOM 343 O ASP X 22 24.342 -15.654 -10.150 1.00 0.00 O ATOM 344 CB ASP X 22 25.616 -18.544 -9.161 1.00 0.00 C ATOM 345 CG ASP X 22 24.166 -18.895 -9.475 1.00 0.00 C ATOM 346 OD1 ASP X 22 23.311 -18.060 -9.238 1.00 0.00 O ATOM 347 OD2 ASP X 22 23.932 -19.996 -9.950 1.00 0.00 O ATOM 0 H ASP X 22 23.803 -16.789 -7.974 1.00 0.00 H new ATOM 0 HA ASP X 22 26.733 -16.851 -8.442 1.00 0.00 H new ATOM 0 HB2 ASP X 22 26.246 -18.757 -10.024 1.00 0.00 H new ATOM 0 HB3 ASP X 22 25.980 -19.162 -8.340 1.00 0.00 H new ATOM 352 N ALA X 23 26.407 -16.119 -10.905 1.00 0.00 N ATOM 353 CA ALA X 23 26.250 -15.331 -12.121 1.00 0.00 C ATOM 354 C ALA X 23 25.344 -16.044 -13.123 1.00 0.00 C ATOM 355 O ALA X 23 24.596 -15.405 -13.859 1.00 0.00 O ATOM 356 CB ALA X 23 27.624 -15.083 -12.753 1.00 0.00 C ATOM 0 H ALA X 23 27.314 -16.575 -10.809 1.00 0.00 H new ATOM 0 HA ALA X 23 25.788 -14.380 -11.858 1.00 0.00 H new ATOM 0 HB1 ALA X 23 27.505 -14.494 -13.662 1.00 0.00 H new ATOM 0 HB2 ALA X 23 28.256 -14.541 -12.049 1.00 0.00 H new ATOM 0 HB3 ALA X 23 28.090 -16.038 -12.998 1.00 0.00 H new ATOM 362 N ALA X 24 25.433 -17.371 -13.157 1.00 0.00 N ATOM 363 CA ALA X 24 24.636 -18.164 -14.092 1.00 0.00 C ATOM 364 C ALA X 24 23.121 -17.933 -13.898 1.00 0.00 C ATOM 365 O ALA X 24 22.376 -17.909 -14.877 1.00 0.00 O ATOM 366 CB ALA X 24 24.953 -19.654 -13.915 1.00 0.00 C ATOM 0 H ALA X 24 26.045 -17.919 -12.552 1.00 0.00 H new ATOM 0 HA ALA X 24 24.898 -17.844 -15.100 1.00 0.00 H new ATOM 0 HB1 ALA X 24 24.356 -20.239 -14.615 1.00 0.00 H new ATOM 0 HB2 ALA X 24 26.012 -19.826 -14.109 1.00 0.00 H new ATOM 0 HB3 ALA X 24 24.717 -19.957 -12.895 1.00 0.00 H new ATOM 372 N THR X 25 22.659 -17.776 -12.645 1.00 0.00 N ATOM 373 CA THR X 25 21.231 -17.568 -12.393 1.00 0.00 C ATOM 374 C THR X 25 20.804 -16.141 -12.760 1.00 0.00 C ATOM 375 O THR X 25 19.724 -15.934 -13.314 1.00 0.00 O ATOM 376 CB THR X 25 20.889 -17.877 -10.918 1.00 0.00 C ATOM 377 OG1 THR X 25 19.517 -18.233 -10.825 1.00 0.00 O ATOM 378 CG2 THR X 25 21.155 -16.661 -10.012 1.00 0.00 C ATOM 0 H THR X 25 23.244 -17.789 -11.809 1.00 0.00 H new ATOM 0 HA THR X 25 20.675 -18.257 -13.029 1.00 0.00 H new ATOM 0 HB THR X 25 21.524 -18.698 -10.584 1.00 0.00 H new ATOM 0 HG1 THR X 25 19.293 -18.432 -9.892 1.00 0.00 H new ATOM 0 HG21 THR X 25 20.904 -16.913 -8.982 1.00 0.00 H new ATOM 0 HG22 THR X 25 22.208 -16.386 -10.072 1.00 0.00 H new ATOM 0 HG23 THR X 25 20.542 -15.822 -10.340 1.00 0.00 H new ATOM 386 N ALA X 26 21.649 -15.164 -12.441 1.00 0.00 N ATOM 387 CA ALA X 26 21.336 -13.768 -12.734 1.00 0.00 C ATOM 388 C ALA X 26 21.332 -13.508 -14.239 1.00 0.00 C ATOM 389 O ALA X 26 20.542 -12.708 -14.739 1.00 0.00 O ATOM 390 CB ALA X 26 22.358 -12.851 -12.057 1.00 0.00 C ATOM 0 H ALA X 26 22.549 -15.311 -11.983 1.00 0.00 H new ATOM 0 HA ALA X 26 20.340 -13.556 -12.346 1.00 0.00 H new ATOM 0 HB1 ALA X 26 22.118 -11.811 -12.280 1.00 0.00 H new ATOM 0 HB2 ALA X 26 22.329 -13.007 -10.979 1.00 0.00 H new ATOM 0 HB3 ALA X 26 23.356 -13.081 -12.430 1.00 0.00 H new ATOM 396 N GLU X 27 22.227 -14.181 -14.953 1.00 0.00 N ATOM 397 CA GLU X 27 22.334 -14.007 -16.400 1.00 0.00 C ATOM 398 C GLU X 27 21.021 -14.365 -17.100 1.00 0.00 C ATOM 399 O GLU X 27 20.711 -13.825 -18.156 1.00 0.00 O ATOM 400 CB GLU X 27 23.507 -14.868 -16.956 1.00 0.00 C ATOM 401 CG GLU X 27 22.995 -16.125 -17.683 1.00 0.00 C ATOM 402 CD GLU X 27 24.152 -17.072 -17.982 1.00 0.00 C ATOM 403 OE1 GLU X 27 25.240 -16.822 -17.490 1.00 0.00 O ATOM 404 OE2 GLU X 27 23.933 -18.035 -18.699 1.00 0.00 O ATOM 0 H GLU X 27 22.887 -14.850 -14.557 1.00 0.00 H new ATOM 0 HA GLU X 27 22.541 -12.956 -16.604 1.00 0.00 H new ATOM 0 HB2 GLU X 27 24.105 -14.269 -17.642 1.00 0.00 H new ATOM 0 HB3 GLU X 27 24.162 -15.163 -16.137 1.00 0.00 H new ATOM 0 HG2 GLU X 27 22.251 -16.632 -17.068 1.00 0.00 H new ATOM 0 HG3 GLU X 27 22.500 -15.840 -18.611 1.00 0.00 H new ATOM 411 N LYS X 28 20.270 -15.296 -16.528 1.00 0.00 N ATOM 412 CA LYS X 28 19.019 -15.719 -17.151 1.00 0.00 C ATOM 413 C LYS X 28 18.088 -14.529 -17.328 1.00 0.00 C ATOM 414 O LYS X 28 17.546 -14.307 -18.410 1.00 0.00 O ATOM 415 CB LYS X 28 18.328 -16.780 -16.287 1.00 0.00 C ATOM 416 CG LYS X 28 19.243 -17.998 -16.124 1.00 0.00 C ATOM 417 CD LYS X 28 18.526 -19.075 -15.290 1.00 0.00 C ATOM 418 CE LYS X 28 19.497 -20.234 -14.980 1.00 0.00 C ATOM 419 NZ LYS X 28 18.989 -21.050 -13.801 1.00 0.00 N ATOM 0 H LYS X 28 20.497 -15.766 -15.652 1.00 0.00 H new ATOM 0 HA LYS X 28 19.249 -16.144 -18.128 1.00 0.00 H new ATOM 0 HB2 LYS X 28 18.085 -16.363 -15.309 1.00 0.00 H new ATOM 0 HB3 LYS X 28 17.387 -17.080 -16.748 1.00 0.00 H new ATOM 0 HG2 LYS X 28 19.509 -18.399 -17.102 1.00 0.00 H new ATOM 0 HG3 LYS X 28 20.172 -17.705 -15.636 1.00 0.00 H new ATOM 0 HD2 LYS X 28 18.156 -18.641 -14.361 1.00 0.00 H new ATOM 0 HD3 LYS X 28 17.659 -19.451 -15.834 1.00 0.00 H new ATOM 0 HE2 LYS X 28 19.601 -20.874 -15.856 1.00 0.00 H new ATOM 0 HE3 LYS X 28 20.487 -19.837 -14.756 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 19.653 -21.826 -13.604 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 18.913 -20.439 -12.963 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 18.054 -21.444 -14.029 1.00 0.00 H new ATOM 433 N VAL X 29 17.919 -13.760 -16.265 1.00 0.00 N ATOM 434 CA VAL X 29 17.064 -12.582 -16.317 1.00 0.00 C ATOM 435 C VAL X 29 17.724 -11.469 -17.125 1.00 0.00 C ATOM 436 O VAL X 29 17.122 -10.897 -18.029 1.00 0.00 O ATOM 437 CB VAL X 29 16.781 -12.087 -14.899 1.00 0.00 C ATOM 438 CG1 VAL X 29 15.669 -11.041 -14.939 1.00 0.00 C ATOM 439 CG2 VAL X 29 16.344 -13.264 -14.025 1.00 0.00 C ATOM 0 H VAL X 29 18.359 -13.927 -15.360 1.00 0.00 H new ATOM 0 HA VAL X 29 16.128 -12.856 -16.804 1.00 0.00 H new ATOM 0 HB VAL X 29 17.684 -11.642 -14.482 1.00 0.00 H new ATOM 0 HG11 VAL X 29 15.466 -10.687 -13.928 1.00 0.00 H new ATOM 0 HG12 VAL X 29 15.981 -10.202 -15.562 1.00 0.00 H new ATOM 0 HG13 VAL X 29 14.766 -11.486 -15.356 1.00 0.00 H new ATOM 0 HG21 VAL X 29 16.142 -12.911 -13.014 1.00 0.00 H new ATOM 0 HG22 VAL X 29 15.441 -13.710 -14.441 1.00 0.00 H new ATOM 0 HG23 VAL X 29 17.138 -14.011 -13.997 1.00 0.00 H new ATOM 449 N PHE X 30 18.964 -11.160 -16.766 1.00 0.00 N ATOM 450 CA PHE X 30 19.727 -10.101 -17.416 1.00 0.00 C ATOM 451 C PHE X 30 19.944 -10.387 -18.904 1.00 0.00 C ATOM 452 O PHE X 30 19.808 -9.490 -19.735 1.00 0.00 O ATOM 453 CB PHE X 30 21.086 -9.968 -16.710 1.00 0.00 C ATOM 454 CG PHE X 30 20.968 -9.161 -15.427 1.00 0.00 C ATOM 455 CD1 PHE X 30 19.751 -9.060 -14.719 1.00 0.00 C ATOM 456 CD2 PHE X 30 22.105 -8.505 -14.937 1.00 0.00 C ATOM 457 CE1 PHE X 30 19.687 -8.307 -13.541 1.00 0.00 C ATOM 458 CE2 PHE X 30 22.034 -7.754 -13.758 1.00 0.00 C ATOM 459 CZ PHE X 30 20.829 -7.655 -13.062 1.00 0.00 C ATOM 0 H PHE X 30 19.468 -11.635 -16.018 1.00 0.00 H new ATOM 0 HA PHE X 30 19.162 -9.172 -17.341 1.00 0.00 H new ATOM 0 HB2 PHE X 30 21.478 -10.959 -16.483 1.00 0.00 H new ATOM 0 HB3 PHE X 30 21.800 -9.488 -17.379 1.00 0.00 H new ATOM 0 HD1 PHE X 30 18.869 -9.564 -15.086 1.00 0.00 H new ATOM 0 HD2 PHE X 30 23.041 -8.579 -15.472 1.00 0.00 H new ATOM 0 HE1 PHE X 30 18.755 -8.229 -13.001 1.00 0.00 H new ATOM 0 HE2 PHE X 30 22.914 -7.250 -13.386 1.00 0.00 H new ATOM 0 HZ PHE X 30 20.777 -7.075 -12.153 1.00 0.00 H new ATOM 469 N LYS X 31 20.281 -11.628 -19.241 1.00 0.00 N ATOM 470 CA LYS X 31 20.506 -11.973 -20.639 1.00 0.00 C ATOM 471 C LYS X 31 19.206 -11.876 -21.431 1.00 0.00 C ATOM 472 O LYS X 31 19.171 -11.296 -22.516 1.00 0.00 O ATOM 473 CB LYS X 31 21.077 -13.388 -20.753 1.00 0.00 C ATOM 474 CG LYS X 31 21.468 -13.668 -22.207 1.00 0.00 C ATOM 475 CD LYS X 31 22.442 -14.863 -22.274 1.00 0.00 C ATOM 476 CE LYS X 31 23.886 -14.384 -22.082 1.00 0.00 C ATOM 477 NZ LYS X 31 24.726 -15.524 -21.620 1.00 0.00 N ATOM 0 H LYS X 31 20.402 -12.396 -18.581 1.00 0.00 H new ATOM 0 HA LYS X 31 21.224 -11.265 -21.053 1.00 0.00 H new ATOM 0 HB2 LYS X 31 21.947 -13.493 -20.105 1.00 0.00 H new ATOM 0 HB3 LYS X 31 20.339 -14.117 -20.417 1.00 0.00 H new ATOM 0 HG2 LYS X 31 20.577 -13.882 -22.797 1.00 0.00 H new ATOM 0 HG3 LYS X 31 21.934 -12.784 -22.643 1.00 0.00 H new ATOM 0 HD2 LYS X 31 22.188 -15.592 -21.504 1.00 0.00 H new ATOM 0 HD3 LYS X 31 22.344 -15.368 -23.235 1.00 0.00 H new ATOM 0 HE2 LYS X 31 24.277 -13.986 -23.018 1.00 0.00 H new ATOM 0 HE3 LYS X 31 23.919 -13.574 -21.353 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 25.706 -15.202 -21.489 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 24.356 -15.884 -20.717 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 24.703 -16.283 -22.331 1.00 0.00 H new ATOM 491 N GLN X 32 18.142 -12.449 -20.882 1.00 0.00 N ATOM 492 CA GLN X 32 16.844 -12.428 -21.540 1.00 0.00 C ATOM 493 C GLN X 32 16.210 -11.041 -21.462 1.00 0.00 C ATOM 494 O GLN X 32 15.482 -10.630 -22.367 1.00 0.00 O ATOM 495 CB GLN X 32 15.919 -13.449 -20.884 1.00 0.00 C ATOM 496 CG GLN X 32 16.427 -14.863 -21.178 1.00 0.00 C ATOM 497 CD GLN X 32 15.587 -15.887 -20.424 1.00 0.00 C ATOM 498 OE1 GLN X 32 14.366 -15.921 -20.574 1.00 0.00 O ATOM 499 NE2 GLN X 32 16.176 -16.737 -19.607 1.00 0.00 N ATOM 0 H GLN X 32 18.153 -12.933 -19.984 1.00 0.00 H new ATOM 0 HA GLN X 32 16.990 -12.681 -22.590 1.00 0.00 H new ATOM 0 HB2 GLN X 32 15.881 -13.282 -19.808 1.00 0.00 H new ATOM 0 HB3 GLN X 32 14.903 -13.330 -21.261 1.00 0.00 H new ATOM 0 HG2 GLN X 32 16.380 -15.060 -22.249 1.00 0.00 H new ATOM 0 HG3 GLN X 32 17.473 -14.951 -20.884 1.00 0.00 H new ATOM 0 HE21 GLN X 32 17.188 -16.708 -19.484 1.00 0.00 H new ATOM 0 HE22 GLN X 32 15.620 -17.424 -19.098 1.00 0.00 H new ATOM 508 N TYR X 33 16.475 -10.331 -20.372 1.00 0.00 N ATOM 509 CA TYR X 33 15.909 -9.006 -20.175 1.00 0.00 C ATOM 510 C TYR X 33 16.350 -8.046 -21.285 1.00 0.00 C ATOM 511 O TYR X 33 15.530 -7.310 -21.834 1.00 0.00 O ATOM 512 CB TYR X 33 16.340 -8.470 -18.804 1.00 0.00 C ATOM 513 CG TYR X 33 16.023 -6.999 -18.705 1.00 0.00 C ATOM 514 CD1 TYR X 33 14.707 -6.583 -18.465 1.00 0.00 C ATOM 515 CD2 TYR X 33 17.041 -6.049 -18.850 1.00 0.00 C ATOM 516 CE1 TYR X 33 14.411 -5.218 -18.372 1.00 0.00 C ATOM 517 CE2 TYR X 33 16.745 -4.686 -18.755 1.00 0.00 C ATOM 518 CZ TYR X 33 15.428 -4.270 -18.517 1.00 0.00 C ATOM 519 OH TYR X 33 15.137 -2.924 -18.424 1.00 0.00 O ATOM 0 H TYR X 33 17.077 -10.651 -19.614 1.00 0.00 H new ATOM 0 HA TYR X 33 14.822 -9.080 -20.214 1.00 0.00 H new ATOM 0 HB2 TYR X 33 15.826 -9.016 -18.013 1.00 0.00 H new ATOM 0 HB3 TYR X 33 17.408 -8.631 -18.660 1.00 0.00 H new ATOM 0 HD1 TYR X 33 13.921 -7.315 -18.352 1.00 0.00 H new ATOM 0 HD2 TYR X 33 18.056 -6.369 -19.035 1.00 0.00 H new ATOM 0 HE1 TYR X 33 13.396 -4.897 -18.188 1.00 0.00 H new ATOM 0 HE2 TYR X 33 17.531 -3.954 -18.865 1.00 0.00 H new ATOM 0 HH TYR X 33 15.958 -2.403 -18.548 1.00 0.00 H new ATOM 529 N ALA X 34 17.637 -8.048 -21.609 1.00 0.00 N ATOM 530 CA ALA X 34 18.143 -7.161 -22.651 1.00 0.00 C ATOM 531 C ALA X 34 17.449 -7.463 -23.986 1.00 0.00 C ATOM 532 O ALA X 34 17.169 -6.556 -24.767 1.00 0.00 O ATOM 533 CB ALA X 34 19.663 -7.320 -22.797 1.00 0.00 C ATOM 0 H ALA X 34 18.341 -8.644 -21.173 1.00 0.00 H new ATOM 0 HA ALA X 34 17.926 -6.131 -22.367 1.00 0.00 H new ATOM 0 HB1 ALA X 34 20.025 -6.652 -23.578 1.00 0.00 H new ATOM 0 HB2 ALA X 34 20.147 -7.071 -21.853 1.00 0.00 H new ATOM 0 HB3 ALA X 34 19.897 -8.351 -23.064 1.00 0.00 H new ATOM 539 N ASN X 35 17.167 -8.741 -24.244 1.00 0.00 N ATOM 540 CA ASN X 35 16.501 -9.117 -25.475 1.00 0.00 C ATOM 541 C ASN X 35 15.044 -8.663 -25.434 1.00 0.00 C ATOM 542 O ASN X 35 14.522 -8.117 -26.406 1.00 0.00 O ATOM 543 CB ASN X 35 16.568 -10.632 -25.660 1.00 0.00 C ATOM 544 CG ASN X 35 16.239 -10.994 -27.106 1.00 0.00 C ATOM 545 OD1 ASN X 35 17.133 -11.035 -27.952 1.00 0.00 O ATOM 546 ND2 ASN X 35 15.002 -11.262 -27.448 1.00 0.00 N ATOM 0 H ASN X 35 17.389 -9.518 -23.622 1.00 0.00 H new ATOM 0 HA ASN X 35 17.002 -8.634 -26.314 1.00 0.00 H new ATOM 0 HB2 ASN X 35 17.563 -10.995 -25.403 1.00 0.00 H new ATOM 0 HB3 ASN X 35 15.866 -11.121 -24.985 1.00 0.00 H new ATOM 0 HD21 ASN X 35 14.781 -11.504 -28.414 1.00 0.00 H new ATOM 0 HD22 ASN X 35 14.261 -11.228 -26.748 1.00 0.00 H new ATOM 553 N ASP X 36 14.393 -8.897 -24.296 1.00 0.00 N ATOM 554 CA ASP X 36 12.998 -8.516 -24.124 1.00 0.00 C ATOM 555 C ASP X 36 12.821 -6.996 -24.109 1.00 0.00 C ATOM 556 O ASP X 36 11.788 -6.489 -24.548 1.00 0.00 O ATOM 557 CB ASP X 36 12.464 -9.108 -22.819 1.00 0.00 C ATOM 558 CG ASP X 36 12.893 -10.565 -22.706 1.00 0.00 C ATOM 559 OD1 ASP X 36 12.989 -11.217 -23.732 1.00 0.00 O ATOM 560 OD2 ASP X 36 13.120 -11.008 -21.591 1.00 0.00 O ATOM 0 H ASP X 36 14.811 -9.348 -23.482 1.00 0.00 H new ATOM 0 HA ASP X 36 12.437 -8.908 -24.972 1.00 0.00 H new ATOM 0 HB2 ASP X 36 12.842 -8.540 -21.969 1.00 0.00 H new ATOM 0 HB3 ASP X 36 11.377 -9.035 -22.793 1.00 0.00 H new ATOM 565 N ASN X 37 13.812 -6.266 -23.589 1.00 0.00 N ATOM 566 CA ASN X 37 13.702 -4.813 -23.518 1.00 0.00 C ATOM 567 C ASN X 37 14.006 -4.164 -24.873 1.00 0.00 C ATOM 568 O ASN X 37 13.533 -3.062 -25.152 1.00 0.00 O ATOM 569 CB ASN X 37 14.622 -4.268 -22.419 1.00 0.00 C ATOM 570 CG ASN X 37 16.083 -4.240 -22.864 1.00 0.00 C ATOM 571 OD1 ASN X 37 16.399 -4.503 -24.019 1.00 0.00 O ATOM 572 ND2 ASN X 37 17.007 -3.924 -21.995 1.00 0.00 N ATOM 0 H ASN X 37 14.681 -6.651 -23.219 1.00 0.00 H new ATOM 0 HA ASN X 37 12.673 -4.557 -23.264 1.00 0.00 H new ATOM 0 HB2 ASN X 37 14.306 -3.261 -22.147 1.00 0.00 H new ATOM 0 HB3 ASN X 37 14.526 -4.885 -21.526 1.00 0.00 H new ATOM 0 HD21 ASN X 37 17.986 -3.897 -22.279 1.00 0.00 H new ATOM 0 HD22 ASN X 37 16.749 -3.704 -21.033 1.00 0.00 H new ATOM 579 N GLY X 38 14.774 -4.858 -25.724 1.00 0.00 N ATOM 580 CA GLY X 38 15.097 -4.336 -27.058 1.00 0.00 C ATOM 581 C GLY X 38 16.594 -4.409 -27.376 1.00 0.00 C ATOM 582 O GLY X 38 16.974 -4.780 -28.488 1.00 0.00 O ATOM 0 H GLY X 38 15.179 -5.771 -25.516 1.00 0.00 H new ATOM 0 HA2 GLY X 38 14.543 -4.900 -27.808 1.00 0.00 H new ATOM 0 HA3 GLY X 38 14.765 -3.300 -27.128 1.00 0.00 H new ATOM 586 N VAL X 39 17.443 -4.025 -26.423 1.00 0.00 N ATOM 587 CA VAL X 39 18.888 -4.025 -26.660 1.00 0.00 C ATOM 588 C VAL X 39 19.500 -5.423 -26.495 1.00 0.00 C ATOM 589 O VAL X 39 19.622 -5.941 -25.387 1.00 0.00 O ATOM 590 CB VAL X 39 19.561 -3.012 -25.715 1.00 0.00 C ATOM 591 CG1 VAL X 39 19.003 -3.162 -24.299 1.00 0.00 C ATOM 592 CG2 VAL X 39 21.076 -3.234 -25.691 1.00 0.00 C ATOM 0 H VAL X 39 17.162 -3.714 -25.493 1.00 0.00 H new ATOM 0 HA VAL X 39 19.065 -3.729 -27.694 1.00 0.00 H new ATOM 0 HB VAL X 39 19.352 -2.007 -26.081 1.00 0.00 H new ATOM 0 HG11 VAL X 39 19.486 -2.441 -23.639 1.00 0.00 H new ATOM 0 HG12 VAL X 39 17.928 -2.980 -24.310 1.00 0.00 H new ATOM 0 HG13 VAL X 39 19.197 -4.172 -23.937 1.00 0.00 H new ATOM 0 HG21 VAL X 39 21.539 -2.511 -25.019 1.00 0.00 H new ATOM 0 HG22 VAL X 39 21.290 -4.244 -25.341 1.00 0.00 H new ATOM 0 HG23 VAL X 39 21.479 -3.105 -26.696 1.00 0.00 H new ATOM 602 N ASP X 40 19.905 -6.014 -27.621 1.00 0.00 N ATOM 603 CA ASP X 40 20.534 -7.341 -27.625 1.00 0.00 C ATOM 604 C ASP X 40 21.854 -7.279 -28.402 1.00 0.00 C ATOM 605 O ASP X 40 21.841 -7.101 -29.620 1.00 0.00 O ATOM 606 CB ASP X 40 19.590 -8.359 -28.282 1.00 0.00 C ATOM 607 CG ASP X 40 19.968 -9.781 -27.871 1.00 0.00 C ATOM 608 OD1 ASP X 40 19.756 -10.120 -26.719 1.00 0.00 O ATOM 609 OD2 ASP X 40 20.461 -10.508 -28.717 1.00 0.00 O ATOM 0 H ASP X 40 19.809 -5.595 -28.546 1.00 0.00 H new ATOM 0 HA ASP X 40 20.734 -7.651 -26.599 1.00 0.00 H new ATOM 0 HB2 ASP X 40 18.561 -8.151 -27.990 1.00 0.00 H new ATOM 0 HB3 ASP X 40 19.639 -8.262 -29.367 1.00 0.00 H new ATOM 614 N GLY X 41 22.998 -7.415 -27.714 1.00 0.00 N ATOM 615 CA GLY X 41 24.294 -7.348 -28.408 1.00 0.00 C ATOM 616 C GLY X 41 25.325 -8.318 -27.819 1.00 0.00 C ATOM 617 O GLY X 41 24.967 -9.332 -27.219 1.00 0.00 O ATOM 0 H GLY X 41 23.055 -7.568 -26.707 1.00 0.00 H new ATOM 0 HA2 GLY X 41 24.149 -7.574 -29.464 1.00 0.00 H new ATOM 0 HA3 GLY X 41 24.682 -6.331 -28.350 1.00 0.00 H new ATOM 621 N GLU X 42 26.613 -7.994 -28.003 1.00 0.00 N ATOM 622 CA GLU X 42 27.680 -8.831 -27.497 1.00 0.00 C ATOM 623 C GLU X 42 27.789 -8.667 -25.989 1.00 0.00 C ATOM 624 O GLU X 42 27.598 -7.574 -25.462 1.00 0.00 O ATOM 625 CB GLU X 42 29.007 -8.457 -28.166 1.00 0.00 C ATOM 626 CG GLU X 42 28.759 -8.149 -29.643 1.00 0.00 C ATOM 627 CD GLU X 42 30.087 -8.070 -30.390 1.00 0.00 C ATOM 628 OE1 GLU X 42 31.004 -8.774 -30.000 1.00 0.00 O ATOM 629 OE2 GLU X 42 30.166 -7.310 -31.340 1.00 0.00 O ATOM 0 H GLU X 42 26.928 -7.159 -28.498 1.00 0.00 H new ATOM 0 HA GLU X 42 27.456 -9.873 -27.727 1.00 0.00 H new ATOM 0 HB2 GLU X 42 29.446 -7.591 -27.671 1.00 0.00 H new ATOM 0 HB3 GLU X 42 29.720 -9.275 -28.068 1.00 0.00 H new ATOM 0 HG2 GLU X 42 28.130 -8.923 -30.084 1.00 0.00 H new ATOM 0 HG3 GLU X 42 28.221 -7.206 -29.741 1.00 0.00 H new ATOM 636 N TRP X 43 28.059 -9.769 -25.296 1.00 0.00 N ATOM 637 CA TRP X 43 28.144 -9.758 -23.836 1.00 0.00 C ATOM 638 C TRP X 43 29.575 -9.834 -23.327 1.00 0.00 C ATOM 639 O TRP X 43 30.499 -10.225 -24.040 1.00 0.00 O ATOM 640 CB TRP X 43 27.359 -10.946 -23.290 1.00 0.00 C ATOM 641 CG TRP X 43 25.901 -10.712 -23.513 1.00 0.00 C ATOM 642 CD1 TRP X 43 25.218 -10.996 -24.648 1.00 0.00 C ATOM 643 CD2 TRP X 43 24.940 -10.142 -22.592 1.00 0.00 C ATOM 644 NE1 TRP X 43 23.898 -10.622 -24.479 1.00 0.00 N ATOM 645 CE2 TRP X 43 23.676 -10.099 -23.225 1.00 0.00 C ATOM 646 CE3 TRP X 43 25.044 -9.663 -21.279 1.00 0.00 C ATOM 647 CZ2 TRP X 43 22.554 -9.597 -22.574 1.00 0.00 C ATOM 648 CZ3 TRP X 43 23.918 -9.158 -20.621 1.00 0.00 C ATOM 649 CH2 TRP X 43 22.673 -9.126 -21.268 1.00 0.00 C ATOM 0 H TRP X 43 28.223 -10.682 -25.720 1.00 0.00 H new ATOM 0 HA TRP X 43 27.728 -8.812 -23.490 1.00 0.00 H new ATOM 0 HB2 TRP X 43 27.673 -11.864 -23.786 1.00 0.00 H new ATOM 0 HB3 TRP X 43 27.561 -11.074 -22.227 1.00 0.00 H new ATOM 0 HD1 TRP X 43 25.636 -11.441 -25.539 1.00 0.00 H new ATOM 0 HE1 TRP X 43 23.178 -10.721 -25.195 1.00 0.00 H new ATOM 0 HE3 TRP X 43 25.998 -9.684 -20.773 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 21.598 -9.572 -23.077 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 24.007 -8.791 -19.609 1.00 0.00 H new ATOM 0 HH2 TRP X 43 21.807 -8.736 -20.754 1.00 0.00 H new ATOM 660 N THR X 44 29.720 -9.461 -22.062 1.00 0.00 N ATOM 661 CA THR X 44 31.007 -9.474 -21.380 1.00 0.00 C ATOM 662 C THR X 44 30.766 -9.557 -19.874 1.00 0.00 C ATOM 663 O THR X 44 29.650 -9.307 -19.417 1.00 0.00 O ATOM 664 CB THR X 44 31.794 -8.200 -21.710 1.00 0.00 C ATOM 665 OG1 THR X 44 32.946 -8.132 -20.881 1.00 0.00 O ATOM 666 CG2 THR X 44 30.918 -6.963 -21.467 1.00 0.00 C ATOM 0 H THR X 44 28.947 -9.140 -21.479 1.00 0.00 H new ATOM 0 HA THR X 44 31.586 -10.336 -21.712 1.00 0.00 H new ATOM 0 HB THR X 44 32.093 -8.225 -22.758 1.00 0.00 H new ATOM 0 HG1 THR X 44 33.452 -7.320 -21.091 1.00 0.00 H new ATOM 0 HG21 THR X 44 31.485 -6.063 -21.704 1.00 0.00 H new ATOM 0 HG22 THR X 44 30.034 -7.013 -22.103 1.00 0.00 H new ATOM 0 HG23 THR X 44 30.612 -6.934 -20.421 1.00 0.00 H new ATOM 674 N TYR X 45 31.790 -9.900 -19.097 1.00 0.00 N ATOM 675 CA TYR X 45 31.604 -9.988 -17.655 1.00 0.00 C ATOM 676 C TYR X 45 32.916 -10.274 -16.935 1.00 0.00 C ATOM 677 O TYR X 45 33.677 -11.159 -17.321 1.00 0.00 O ATOM 678 CB TYR X 45 30.579 -11.090 -17.339 1.00 0.00 C ATOM 679 CG TYR X 45 30.669 -11.533 -15.885 1.00 0.00 C ATOM 680 CD1 TYR X 45 30.773 -10.588 -14.856 1.00 0.00 C ATOM 681 CD2 TYR X 45 30.639 -12.900 -15.577 1.00 0.00 C ATOM 682 CE1 TYR X 45 30.851 -11.015 -13.524 1.00 0.00 C ATOM 683 CE2 TYR X 45 30.714 -13.322 -14.246 1.00 0.00 C ATOM 684 CZ TYR X 45 30.819 -12.380 -13.219 1.00 0.00 C ATOM 685 OH TYR X 45 30.890 -12.798 -11.905 1.00 0.00 O ATOM 0 H TYR X 45 32.730 -10.115 -19.430 1.00 0.00 H new ATOM 0 HA TYR X 45 31.236 -9.025 -17.299 1.00 0.00 H new ATOM 0 HB2 TYR X 45 29.574 -10.724 -17.548 1.00 0.00 H new ATOM 0 HB3 TYR X 45 30.749 -11.945 -17.993 1.00 0.00 H new ATOM 0 HD1 TYR X 45 30.793 -9.534 -15.089 1.00 0.00 H new ATOM 0 HD2 TYR X 45 30.558 -13.629 -16.370 1.00 0.00 H new ATOM 0 HE1 TYR X 45 30.936 -10.288 -12.730 1.00 0.00 H new ATOM 0 HE2 TYR X 45 30.691 -14.376 -14.012 1.00 0.00 H new ATOM 0 HH TYR X 45 31.293 -13.691 -11.867 1.00 0.00 H new ATOM 695 N ASP X 46 33.144 -9.529 -15.856 1.00 0.00 N ATOM 696 CA ASP X 46 34.331 -9.707 -15.031 1.00 0.00 C ATOM 697 C ASP X 46 33.890 -9.976 -13.586 1.00 0.00 C ATOM 698 O ASP X 46 33.331 -9.098 -12.929 1.00 0.00 O ATOM 699 CB ASP X 46 35.207 -8.449 -15.094 1.00 0.00 C ATOM 700 CG ASP X 46 36.283 -8.524 -14.017 1.00 0.00 C ATOM 701 OD1 ASP X 46 36.626 -9.628 -13.627 1.00 0.00 O ATOM 702 OD2 ASP X 46 36.748 -7.477 -13.599 1.00 0.00 O ATOM 0 H ASP X 46 32.517 -8.792 -15.533 1.00 0.00 H new ATOM 0 HA ASP X 46 34.915 -10.550 -15.399 1.00 0.00 H new ATOM 0 HB2 ASP X 46 35.668 -8.363 -16.078 1.00 0.00 H new ATOM 0 HB3 ASP X 46 34.595 -7.559 -14.950 1.00 0.00 H new ATOM 707 N ASP X 47 34.136 -11.194 -13.097 1.00 0.00 N ATOM 708 CA ASP X 47 33.749 -11.551 -11.736 1.00 0.00 C ATOM 709 C ASP X 47 34.540 -10.741 -10.715 1.00 0.00 C ATOM 710 O ASP X 47 34.176 -10.683 -9.541 1.00 0.00 O ATOM 711 CB ASP X 47 33.986 -13.044 -11.501 1.00 0.00 C ATOM 712 CG ASP X 47 33.580 -13.418 -10.079 1.00 0.00 C ATOM 713 OD1 ASP X 47 34.352 -13.150 -9.174 1.00 0.00 O ATOM 714 OD2 ASP X 47 32.503 -13.968 -9.917 1.00 0.00 O ATOM 0 H ASP X 47 34.596 -11.940 -13.619 1.00 0.00 H new ATOM 0 HA ASP X 47 32.690 -11.325 -11.613 1.00 0.00 H new ATOM 0 HB2 ASP X 47 33.411 -13.629 -12.218 1.00 0.00 H new ATOM 0 HB3 ASP X 47 35.037 -13.284 -11.663 1.00 0.00 H new ATOM 719 N ALA X 48 35.625 -10.122 -11.167 1.00 0.00 N ATOM 720 CA ALA X 48 36.461 -9.324 -10.279 1.00 0.00 C ATOM 721 C ALA X 48 35.844 -7.941 -10.036 1.00 0.00 C ATOM 722 O ALA X 48 36.269 -7.222 -9.131 1.00 0.00 O ATOM 723 CB ALA X 48 37.855 -9.163 -10.884 1.00 0.00 C ATOM 0 H ALA X 48 35.944 -10.157 -12.135 1.00 0.00 H new ATOM 0 HA ALA X 48 36.533 -9.843 -9.323 1.00 0.00 H new ATOM 0 HB1 ALA X 48 38.475 -8.566 -10.216 1.00 0.00 H new ATOM 0 HB2 ALA X 48 38.309 -10.145 -11.019 1.00 0.00 H new ATOM 0 HB3 ALA X 48 37.777 -8.663 -11.850 1.00 0.00 H new ATOM 729 N THR X 49 34.845 -7.566 -10.849 1.00 0.00 N ATOM 730 CA THR X 49 34.190 -6.257 -10.706 1.00 0.00 C ATOM 731 C THR X 49 32.667 -6.418 -10.627 1.00 0.00 C ATOM 732 O THR X 49 31.943 -5.425 -10.563 1.00 0.00 O ATOM 733 CB THR X 49 34.557 -5.347 -11.899 1.00 0.00 C ATOM 734 OG1 THR X 49 34.578 -6.119 -13.088 1.00 0.00 O ATOM 735 CG2 THR X 49 35.937 -4.719 -11.678 1.00 0.00 C ATOM 0 H THR X 49 34.476 -8.143 -11.605 1.00 0.00 H new ATOM 0 HA THR X 49 34.541 -5.798 -9.781 1.00 0.00 H new ATOM 0 HB THR X 49 33.814 -4.554 -11.984 1.00 0.00 H new ATOM 0 HG1 THR X 49 35.506 -6.313 -13.336 1.00 0.00 H new ATOM 0 HG21 THR X 49 36.186 -4.080 -12.525 1.00 0.00 H new ATOM 0 HG22 THR X 49 35.924 -4.123 -10.765 1.00 0.00 H new ATOM 0 HG23 THR X 49 36.685 -5.507 -11.586 1.00 0.00 H new ATOM 743 N LYS X 50 32.184 -7.664 -10.631 1.00 0.00 N ATOM 744 CA LYS X 50 30.745 -7.910 -10.560 1.00 0.00 C ATOM 745 C LYS X 50 29.984 -6.916 -11.440 1.00 0.00 C ATOM 746 O LYS X 50 29.110 -6.196 -10.957 1.00 0.00 O ATOM 747 CB LYS X 50 30.259 -7.778 -9.110 1.00 0.00 C ATOM 748 CG LYS X 50 31.199 -8.534 -8.160 1.00 0.00 C ATOM 749 CD LYS X 50 31.089 -10.041 -8.408 1.00 0.00 C ATOM 750 CE LYS X 50 31.773 -10.800 -7.271 1.00 0.00 C ATOM 751 NZ LYS X 50 31.647 -12.266 -7.506 1.00 0.00 N ATOM 0 H LYS X 50 32.760 -8.504 -10.682 1.00 0.00 H new ATOM 0 HA LYS X 50 30.554 -8.921 -10.919 1.00 0.00 H new ATOM 0 HB2 LYS X 50 30.216 -6.726 -8.828 1.00 0.00 H new ATOM 0 HB3 LYS X 50 29.247 -8.173 -9.021 1.00 0.00 H new ATOM 0 HG2 LYS X 50 32.227 -8.205 -8.314 1.00 0.00 H new ATOM 0 HG3 LYS X 50 30.943 -8.307 -7.125 1.00 0.00 H new ATOM 0 HD2 LYS X 50 30.041 -10.333 -8.475 1.00 0.00 H new ATOM 0 HD3 LYS X 50 31.553 -10.298 -9.360 1.00 0.00 H new ATOM 0 HE2 LYS X 50 32.825 -10.519 -7.213 1.00 0.00 H new ATOM 0 HE3 LYS X 50 31.319 -10.533 -6.317 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 32.459 -12.757 -7.080 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 30.767 -12.612 -7.074 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 31.628 -12.453 -8.529 1.00 0.00 H new ATOM 765 N THR X 51 30.325 -6.871 -12.733 1.00 0.00 N ATOM 766 CA THR X 51 29.664 -5.941 -13.663 1.00 0.00 C ATOM 767 C THR X 51 29.495 -6.565 -15.056 1.00 0.00 C ATOM 768 O THR X 51 30.463 -7.034 -15.656 1.00 0.00 O ATOM 769 CB THR X 51 30.492 -4.653 -13.780 1.00 0.00 C ATOM 770 OG1 THR X 51 30.568 -4.023 -12.509 1.00 0.00 O ATOM 771 CG2 THR X 51 29.829 -3.703 -14.783 1.00 0.00 C ATOM 0 H THR X 51 31.044 -7.457 -13.157 1.00 0.00 H new ATOM 0 HA THR X 51 28.674 -5.716 -13.267 1.00 0.00 H new ATOM 0 HB THR X 51 31.496 -4.899 -14.126 1.00 0.00 H new ATOM 0 HG1 THR X 51 31.136 -4.555 -11.914 1.00 0.00 H new ATOM 0 HG21 THR X 51 30.419 -2.790 -14.864 1.00 0.00 H new ATOM 0 HG22 THR X 51 29.772 -4.186 -15.759 1.00 0.00 H new ATOM 0 HG23 THR X 51 28.824 -3.457 -14.441 1.00 0.00 H new ATOM 779 N PHE X 52 28.255 -6.549 -15.571 1.00 0.00 N ATOM 780 CA PHE X 52 27.958 -7.090 -16.891 1.00 0.00 C ATOM 781 C PHE X 52 27.640 -5.945 -17.845 1.00 0.00 C ATOM 782 O PHE X 52 27.174 -4.893 -17.413 1.00 0.00 O ATOM 783 CB PHE X 52 26.745 -8.016 -16.792 1.00 0.00 C ATOM 784 CG PHE X 52 27.152 -9.321 -16.150 1.00 0.00 C ATOM 785 CD1 PHE X 52 27.588 -9.345 -14.819 1.00 0.00 C ATOM 786 CD2 PHE X 52 27.093 -10.513 -16.888 1.00 0.00 C ATOM 787 CE1 PHE X 52 27.964 -10.558 -14.228 1.00 0.00 C ATOM 788 CE2 PHE X 52 27.469 -11.723 -16.295 1.00 0.00 C ATOM 789 CZ PHE X 52 27.904 -11.745 -14.966 1.00 0.00 C ATOM 0 H PHE X 52 27.445 -6.164 -15.085 1.00 0.00 H new ATOM 0 HA PHE X 52 28.818 -7.647 -17.262 1.00 0.00 H new ATOM 0 HB2 PHE X 52 25.959 -7.540 -16.205 1.00 0.00 H new ATOM 0 HB3 PHE X 52 26.334 -8.200 -17.785 1.00 0.00 H new ATOM 0 HD1 PHE X 52 27.634 -8.429 -14.249 1.00 0.00 H new ATOM 0 HD2 PHE X 52 26.757 -10.496 -17.914 1.00 0.00 H new ATOM 0 HE1 PHE X 52 28.300 -10.577 -13.202 1.00 0.00 H new ATOM 0 HE2 PHE X 52 27.423 -12.640 -16.863 1.00 0.00 H new ATOM 0 HZ PHE X 52 28.194 -12.680 -14.509 1.00 0.00 H new ATOM 799 N THR X 53 27.864 -6.151 -19.140 1.00 0.00 N ATOM 800 CA THR X 53 27.559 -5.107 -20.123 1.00 0.00 C ATOM 801 C THR X 53 27.235 -5.742 -21.477 1.00 0.00 C ATOM 802 O THR X 53 28.007 -6.557 -21.980 1.00 0.00 O ATOM 803 CB THR X 53 28.735 -4.124 -20.304 1.00 0.00 C ATOM 804 OG1 THR X 53 29.687 -4.691 -21.186 1.00 0.00 O ATOM 805 CG2 THR X 53 29.411 -3.805 -18.963 1.00 0.00 C ATOM 0 H THR X 53 28.248 -7.012 -19.531 1.00 0.00 H new ATOM 0 HA THR X 53 26.700 -4.552 -19.747 1.00 0.00 H new ATOM 0 HB THR X 53 28.342 -3.195 -20.716 1.00 0.00 H new ATOM 0 HG1 THR X 53 30.435 -4.069 -21.304 1.00 0.00 H new ATOM 0 HG21 THR X 53 30.235 -3.110 -19.127 1.00 0.00 H new ATOM 0 HG22 THR X 53 28.684 -3.353 -18.288 1.00 0.00 H new ATOM 0 HG23 THR X 53 29.795 -4.725 -18.521 1.00 0.00 H new ATOM 813 N VAL X 54 26.102 -5.351 -22.084 1.00 0.00 N ATOM 814 CA VAL X 54 25.723 -5.880 -23.402 1.00 0.00 C ATOM 815 C VAL X 54 25.789 -4.747 -24.432 1.00 0.00 C ATOM 816 O VAL X 54 25.179 -3.694 -24.250 1.00 0.00 O ATOM 817 CB VAL X 54 24.310 -6.478 -23.350 1.00 0.00 C ATOM 818 CG1 VAL X 54 23.297 -5.372 -23.050 1.00 0.00 C ATOM 819 CG2 VAL X 54 23.974 -7.142 -24.698 1.00 0.00 C ATOM 0 H VAL X 54 25.442 -4.681 -21.689 1.00 0.00 H new ATOM 0 HA VAL X 54 26.414 -6.672 -23.690 1.00 0.00 H new ATOM 0 HB VAL X 54 24.266 -7.230 -22.563 1.00 0.00 H new ATOM 0 HG11 VAL X 54 22.294 -5.797 -23.013 1.00 0.00 H new ATOM 0 HG12 VAL X 54 23.532 -4.914 -22.089 1.00 0.00 H new ATOM 0 HG13 VAL X 54 23.342 -4.615 -23.833 1.00 0.00 H new ATOM 0 HG21 VAL X 54 22.970 -7.565 -24.655 1.00 0.00 H new ATOM 0 HG22 VAL X 54 24.020 -6.397 -25.492 1.00 0.00 H new ATOM 0 HG23 VAL X 54 24.693 -7.935 -24.902 1.00 0.00 H new ATOM 829 N THR X 55 26.571 -4.956 -25.502 1.00 0.00 N ATOM 830 CA THR X 55 26.752 -3.928 -26.543 1.00 0.00 C ATOM 831 C THR X 55 26.394 -4.464 -27.937 1.00 0.00 C ATOM 832 O THR X 55 26.946 -5.471 -28.383 1.00 0.00 O ATOM 833 CB THR X 55 28.217 -3.430 -26.521 1.00 0.00 C ATOM 834 OG1 THR X 55 28.282 -2.139 -27.108 1.00 0.00 O ATOM 835 CG2 THR X 55 29.132 -4.388 -27.301 1.00 0.00 C ATOM 0 H THR X 55 27.086 -5.820 -25.670 1.00 0.00 H new ATOM 0 HA THR X 55 26.077 -3.100 -26.329 1.00 0.00 H new ATOM 0 HB THR X 55 28.556 -3.391 -25.486 1.00 0.00 H new ATOM 0 HG1 THR X 55 29.208 -1.820 -27.094 1.00 0.00 H new ATOM 0 HG21 THR X 55 30.157 -4.017 -27.272 1.00 0.00 H new ATOM 0 HG22 THR X 55 29.092 -5.379 -26.849 1.00 0.00 H new ATOM 0 HG23 THR X 55 28.798 -4.448 -28.337 1.00 0.00 H new ATOM 843 N GLU X 56 25.470 -3.776 -28.628 1.00 0.00 N ATOM 844 CA GLU X 56 25.050 -4.178 -29.974 1.00 0.00 C ATOM 845 C GLU X 56 25.593 -3.194 -31.009 1.00 0.00 C ATOM 846 O GLU X 56 25.842 -2.056 -30.642 1.00 0.00 O ATOM 847 CB GLU X 56 23.516 -4.222 -30.053 1.00 0.00 C ATOM 848 CG GLU X 56 22.924 -3.082 -29.221 1.00 0.00 C ATOM 849 CD GLU X 56 21.402 -3.115 -29.304 1.00 0.00 C ATOM 850 OE1 GLU X 56 20.883 -4.010 -29.951 1.00 0.00 O ATOM 851 OE2 GLU X 56 20.778 -2.246 -28.718 1.00 0.00 O ATOM 852 OXT GLU X 56 25.752 -3.592 -32.151 1.00 0.00 O ATOM 0 H GLU X 56 25.003 -2.941 -28.275 1.00 0.00 H new ATOM 0 HA GLU X 56 25.448 -5.171 -30.185 1.00 0.00 H new ATOM 0 HB2 GLU X 56 23.193 -4.134 -31.090 1.00 0.00 H new ATOM 0 HB3 GLU X 56 23.151 -5.181 -29.686 1.00 0.00 H new ATOM 0 HG2 GLU X 56 23.242 -3.175 -28.183 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.296 -2.124 -29.584 1.00 0.00 H new