USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 LYS NZ :NH3+ -173:sc= 1.18 (180deg=0) USER MOD Set 1.2: A 89 HIS : no HD1:sc= 1.9 K(o=3.1,f=-6.6!) USER MOD Set 2.1: A 72 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 ASN : amide:sc= 0.0288 K(o=0.029,f=-1.7!) USER MOD Set 3.1: A 29 TYR OH : rot 171:sc= 1.08 USER MOD Set 3.2: A 80 ASN : amide:sc= -1.22 K(o=0.82,f=-2!) USER MOD Set 3.3: A 97 THR OG1 : rot -116:sc= 0.965 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -141:sc= 0.207 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.13! C(o=-1.1!,f=-8!) USER MOD Single : A 39 ASN : amide:sc= -0.827 X(o=-0.83,f=-0.45) USER MOD Single : A 40 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0152) USER MOD Single : A 53 SER OG : rot 112:sc= 0.635 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.716 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 59 LYS NZ :NH3+ -162:sc= -0.0314 (180deg=-0.258) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -121:sc= 1.87 USER MOD Single : A 81 THR OG1 : rot 72:sc= 0.517 USER MOD Single : A 83 CYS SG : rot 114:sc= -0.394 USER MOD Single : A 87 CYS SG : rot -120:sc= -0.351 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 107 HIS : no HD1:sc= 0.276 K(o=0.28,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 7 7.359 3.247 -13.034 1.00 42.12 N ATOM 68 CA VAL A 7 8.341 3.957 -13.844 1.00 54.53 C ATOM 69 C VAL A 7 9.762 3.623 -13.402 1.00 65.23 C ATOM 70 O VAL A 7 10.630 3.339 -14.228 1.00 50.13 O ATOM 71 CB VAL A 7 8.137 5.481 -13.767 1.00 21.41 C ATOM 72 CG1 VAL A 7 9.217 6.207 -14.555 1.00 51.41 C ATOM 73 CG2 VAL A 7 6.753 5.859 -14.271 1.00 64.04 C ATOM 0 HA VAL A 7 8.197 3.631 -14.874 1.00 54.53 H new ATOM 0 HB VAL A 7 8.216 5.787 -12.724 1.00 21.41 H new ATOM 0 HG11 VAL A 7 9.055 7.283 -14.488 1.00 51.41 H new ATOM 0 HG12 VAL A 7 10.196 5.961 -14.143 1.00 51.41 H new ATOM 0 HG13 VAL A 7 9.175 5.898 -15.599 1.00 51.41 H new ATOM 0 HG21 VAL A 7 6.626 6.940 -14.209 1.00 64.04 H new ATOM 0 HG22 VAL A 7 6.643 5.539 -15.307 1.00 64.04 H new ATOM 0 HG23 VAL A 7 5.996 5.369 -13.658 1.00 64.04 H new ATOM 83 N LEU A 8 9.992 3.658 -12.094 1.00 55.33 N ATOM 84 CA LEU A 8 11.308 3.357 -11.541 1.00 22.13 C ATOM 85 C LEU A 8 11.247 2.144 -10.619 1.00 55.34 C ATOM 86 O LEU A 8 10.411 2.078 -9.718 1.00 11.30 O ATOM 87 CB LEU A 8 11.849 4.567 -10.777 1.00 53.20 C ATOM 88 CG LEU A 8 12.134 5.816 -11.611 1.00 32.21 C ATOM 89 CD1 LEU A 8 12.570 6.966 -10.717 1.00 74.54 C ATOM 90 CD2 LEU A 8 13.194 5.524 -12.664 1.00 34.21 C ATOM 0 H LEU A 8 9.285 3.892 -11.397 1.00 55.33 H new ATOM 0 HA LEU A 8 11.979 3.127 -12.368 1.00 22.13 H new ATOM 0 HB2 LEU A 8 11.132 4.830 -9.999 1.00 53.20 H new ATOM 0 HB3 LEU A 8 12.770 4.272 -10.275 1.00 53.20 H new ATOM 0 HG LEU A 8 11.215 6.107 -12.121 1.00 32.21 H new ATOM 0 HD11 LEU A 8 12.769 7.847 -11.328 1.00 74.54 H new ATOM 0 HD12 LEU A 8 11.779 7.191 -10.002 1.00 74.54 H new ATOM 0 HD13 LEU A 8 13.476 6.686 -10.179 1.00 74.54 H new ATOM 0 HD21 LEU A 8 13.384 6.424 -13.248 1.00 34.21 H new ATOM 0 HD22 LEU A 8 14.115 5.208 -12.175 1.00 34.21 H new ATOM 0 HD23 LEU A 8 12.843 4.731 -13.324 1.00 34.21 H new ATOM 102 N ARG A 9 12.141 1.187 -10.849 1.00 70.34 N ATOM 103 CA ARG A 9 12.189 -0.023 -10.038 1.00 51.42 C ATOM 104 C ARG A 9 12.916 0.232 -8.722 1.00 22.42 C ATOM 105 O ARG A 9 13.235 1.373 -8.389 1.00 22.12 O ATOM 106 CB ARG A 9 12.884 -1.150 -10.806 1.00 31.01 C ATOM 107 CG ARG A 9 14.333 -0.848 -11.150 1.00 13.42 C ATOM 108 CD ARG A 9 14.771 -1.579 -12.408 1.00 53.35 C ATOM 109 NE ARG A 9 16.017 -2.316 -12.209 1.00 21.20 N ATOM 110 CZ ARG A 9 16.609 -3.031 -13.159 1.00 44.04 C ATOM 111 NH1 ARG A 9 16.070 -3.106 -14.369 1.00 32.20 N ATOM 112 NH2 ARG A 9 17.740 -3.673 -12.900 1.00 12.40 N ATOM 0 H ARG A 9 12.841 1.227 -11.590 1.00 70.34 H new ATOM 0 HA ARG A 9 11.164 -0.321 -9.815 1.00 51.42 H new ATOM 0 HB2 ARG A 9 12.843 -2.063 -10.211 1.00 31.01 H new ATOM 0 HB3 ARG A 9 12.334 -1.344 -11.727 1.00 31.01 H new ATOM 0 HG2 ARG A 9 14.459 0.226 -11.290 1.00 13.42 H new ATOM 0 HG3 ARG A 9 14.974 -1.138 -10.317 1.00 13.42 H new ATOM 0 HD2 ARG A 9 13.987 -2.270 -12.717 1.00 53.35 H new ATOM 0 HD3 ARG A 9 14.900 -0.861 -13.218 1.00 53.35 H new ATOM 0 HE ARG A 9 16.457 -2.279 -11.289 1.00 21.20 H new ATOM 0 HH11 ARG A 9 15.200 -2.614 -14.571 1.00 32.20 H new ATOM 0 HH12 ARG A 9 16.526 -3.656 -15.097 1.00 32.20 H new ATOM 0 HH21 ARG A 9 18.156 -3.618 -11.970 1.00 12.40 H new ATOM 0 HH22 ARG A 9 18.194 -4.222 -13.630 1.00 12.40 H new ATOM 126 N GLY A 10 13.174 -0.837 -7.976 1.00 0.21 N ATOM 127 CA GLY A 10 13.860 -0.707 -6.704 1.00 1.21 C ATOM 128 C GLY A 10 15.255 -0.132 -6.853 1.00 70.45 C ATOM 129 O GLY A 10 15.657 0.748 -6.092 1.00 3.34 O ATOM 0 H GLY A 10 12.920 -1.792 -8.230 1.00 0.21 H new ATOM 0 HA2 GLY A 10 13.275 -0.067 -6.043 1.00 1.21 H new ATOM 0 HA3 GLY A 10 13.923 -1.685 -6.227 1.00 1.21 H new ATOM 133 N LYS A 11 15.996 -0.630 -7.837 1.00 50.23 N ATOM 134 CA LYS A 11 17.354 -0.161 -8.085 1.00 40.14 C ATOM 135 C LYS A 11 17.345 1.246 -8.673 1.00 13.00 C ATOM 136 O LYS A 11 18.148 2.096 -8.289 1.00 1.24 O ATOM 137 CB LYS A 11 18.081 -1.117 -9.034 1.00 5.52 C ATOM 138 CG LYS A 11 19.595 -1.036 -8.939 1.00 25.42 C ATOM 139 CD LYS A 11 20.109 -1.690 -7.668 1.00 73.23 C ATOM 140 CE LYS A 11 20.381 -3.172 -7.875 1.00 11.01 C ATOM 141 NZ LYS A 11 20.420 -3.914 -6.584 1.00 13.01 N ATOM 0 H LYS A 11 15.679 -1.359 -8.476 1.00 50.23 H new ATOM 0 HA LYS A 11 17.882 -0.134 -7.132 1.00 40.14 H new ATOM 0 HB2 LYS A 11 17.766 -2.138 -8.819 1.00 5.52 H new ATOM 0 HB3 LYS A 11 17.778 -0.899 -10.058 1.00 5.52 H new ATOM 0 HG2 LYS A 11 20.042 -1.523 -9.806 1.00 25.42 H new ATOM 0 HG3 LYS A 11 19.907 0.008 -8.964 1.00 25.42 H new ATOM 0 HD2 LYS A 11 21.024 -1.193 -7.346 1.00 73.23 H new ATOM 0 HD3 LYS A 11 19.378 -1.561 -6.870 1.00 73.23 H new ATOM 0 HE2 LYS A 11 19.608 -3.597 -8.515 1.00 11.01 H new ATOM 0 HE3 LYS A 11 21.331 -3.298 -8.395 1.00 11.01 H new ATOM 0 HZ1 LYS A 11 20.608 -4.920 -6.768 1.00 13.01 H new ATOM 0 HZ2 LYS A 11 21.174 -3.525 -5.983 1.00 13.01 H new ATOM 0 HZ3 LYS A 11 19.505 -3.815 -6.099 1.00 13.01 H new ATOM 155 N LYS A 12 16.431 1.486 -9.608 1.00 42.51 N ATOM 156 CA LYS A 12 16.315 2.790 -10.248 1.00 21.31 C ATOM 157 C LYS A 12 15.896 3.856 -9.239 1.00 54.13 C ATOM 158 O LYS A 12 16.334 5.003 -9.317 1.00 43.11 O ATOM 159 CB LYS A 12 15.301 2.731 -11.393 1.00 73.40 C ATOM 160 CG LYS A 12 15.832 2.046 -12.640 1.00 53.44 C ATOM 161 CD LYS A 12 14.790 2.013 -13.745 1.00 40.33 C ATOM 162 CE LYS A 12 15.312 1.300 -14.983 1.00 24.44 C ATOM 163 NZ LYS A 12 14.324 1.329 -16.097 1.00 52.35 N ATOM 0 H LYS A 12 15.760 0.793 -9.939 1.00 42.51 H new ATOM 0 HA LYS A 12 17.292 3.058 -10.649 1.00 21.31 H new ATOM 0 HB2 LYS A 12 14.410 2.205 -11.051 1.00 73.40 H new ATOM 0 HB3 LYS A 12 14.994 3.745 -11.648 1.00 73.40 H new ATOM 0 HG2 LYS A 12 16.721 2.569 -12.993 1.00 53.44 H new ATOM 0 HG3 LYS A 12 16.137 1.028 -12.395 1.00 53.44 H new ATOM 0 HD2 LYS A 12 13.893 1.510 -13.385 1.00 40.33 H new ATOM 0 HD3 LYS A 12 14.502 3.031 -14.005 1.00 40.33 H new ATOM 0 HE2 LYS A 12 16.240 1.770 -15.308 1.00 24.44 H new ATOM 0 HE3 LYS A 12 15.548 0.266 -14.734 1.00 24.44 H new ATOM 0 HZ1 LYS A 12 14.665 0.734 -16.879 1.00 52.35 H new ATOM 0 HZ2 LYS A 12 13.410 0.966 -15.759 1.00 52.35 H new ATOM 0 HZ3 LYS A 12 14.207 2.307 -16.432 1.00 52.35 H new ATOM 177 N ALA A 13 15.048 3.468 -8.293 1.00 10.44 N ATOM 178 CA ALA A 13 14.575 4.388 -7.267 1.00 61.23 C ATOM 179 C ALA A 13 15.740 5.090 -6.579 1.00 21.14 C ATOM 180 O ALA A 13 15.692 6.295 -6.331 1.00 73.43 O ATOM 181 CB ALA A 13 13.724 3.648 -6.246 1.00 24.31 C ATOM 0 H ALA A 13 14.674 2.522 -8.216 1.00 10.44 H new ATOM 0 HA ALA A 13 13.962 5.149 -7.751 1.00 61.23 H new ATOM 0 HB1 ALA A 13 13.378 4.348 -5.485 1.00 24.31 H new ATOM 0 HB2 ALA A 13 12.865 3.200 -6.745 1.00 24.31 H new ATOM 0 HB3 ALA A 13 14.319 2.866 -5.775 1.00 24.31 H new ATOM 187 N ASP A 14 16.785 4.330 -6.272 1.00 1.23 N ATOM 188 CA ASP A 14 17.963 4.879 -5.612 1.00 13.14 C ATOM 189 C ASP A 14 18.564 6.017 -6.431 1.00 1.10 C ATOM 190 O ASP A 14 18.796 7.110 -5.916 1.00 43.31 O ATOM 191 CB ASP A 14 19.008 3.785 -5.392 1.00 53.24 C ATOM 192 CG ASP A 14 19.455 3.690 -3.946 1.00 70.44 C ATOM 193 OD1 ASP A 14 18.746 3.043 -3.148 1.00 12.02 O ATOM 194 OD2 ASP A 14 20.512 4.266 -3.613 1.00 63.13 O ATOM 0 H ASP A 14 16.840 3.331 -6.470 1.00 1.23 H new ATOM 0 HA ASP A 14 17.655 5.275 -4.644 1.00 13.14 H new ATOM 0 HB2 ASP A 14 18.596 2.826 -5.705 1.00 53.24 H new ATOM 0 HB3 ASP A 14 19.874 3.982 -6.024 1.00 53.24 H new ATOM 199 N GLU A 15 18.814 5.751 -7.709 1.00 63.02 N ATOM 200 CA GLU A 15 19.389 6.752 -8.599 1.00 13.04 C ATOM 201 C GLU A 15 18.554 8.029 -8.594 1.00 23.21 C ATOM 202 O GLU A 15 19.092 9.137 -8.620 1.00 22.04 O ATOM 203 CB GLU A 15 19.493 6.203 -10.023 1.00 4.33 C ATOM 204 CG GLU A 15 20.759 6.626 -10.748 1.00 73.23 C ATOM 205 CD GLU A 15 20.593 6.633 -12.256 1.00 22.53 C ATOM 206 OE1 GLU A 15 20.426 5.542 -12.839 1.00 71.34 O ATOM 207 OE2 GLU A 15 20.629 7.730 -12.852 1.00 34.05 O ATOM 0 H GLU A 15 18.627 4.851 -8.151 1.00 63.02 H new ATOM 0 HA GLU A 15 20.389 6.991 -8.236 1.00 13.04 H new ATOM 0 HB2 GLU A 15 19.451 5.114 -9.987 1.00 4.33 H new ATOM 0 HB3 GLU A 15 18.628 6.537 -10.596 1.00 4.33 H new ATOM 0 HG2 GLU A 15 21.049 7.622 -10.414 1.00 73.23 H new ATOM 0 HG3 GLU A 15 21.571 5.950 -10.479 1.00 73.23 H new ATOM 214 N LEU A 16 17.236 7.866 -8.561 1.00 72.31 N ATOM 215 CA LEU A 16 16.325 9.006 -8.553 1.00 43.44 C ATOM 216 C LEU A 16 16.581 9.900 -7.345 1.00 22.34 C ATOM 217 O LEU A 16 16.817 11.099 -7.488 1.00 0.24 O ATOM 218 CB LEU A 16 14.873 8.522 -8.545 1.00 72.22 C ATOM 219 CG LEU A 16 13.815 9.570 -8.892 1.00 40.42 C ATOM 220 CD1 LEU A 16 13.631 10.544 -7.739 1.00 73.45 C ATOM 221 CD2 LEU A 16 14.195 10.312 -10.165 1.00 42.22 C ATOM 0 H LEU A 16 16.774 6.957 -8.539 1.00 72.31 H new ATOM 0 HA LEU A 16 16.503 9.589 -9.457 1.00 43.44 H new ATOM 0 HB2 LEU A 16 14.782 7.696 -9.250 1.00 72.22 H new ATOM 0 HB3 LEU A 16 14.649 8.123 -7.556 1.00 72.22 H new ATOM 0 HG LEU A 16 12.868 9.059 -9.064 1.00 40.42 H new ATOM 0 HD11 LEU A 16 12.874 11.283 -8.004 1.00 73.45 H new ATOM 0 HD12 LEU A 16 13.311 10.000 -6.850 1.00 73.45 H new ATOM 0 HD13 LEU A 16 14.575 11.049 -7.535 1.00 73.45 H new ATOM 0 HD21 LEU A 16 13.430 11.054 -10.396 1.00 42.22 H new ATOM 0 HD22 LEU A 16 15.153 10.811 -10.023 1.00 42.22 H new ATOM 0 HD23 LEU A 16 14.274 9.603 -10.989 1.00 42.22 H new ATOM 233 N GLU A 17 16.535 9.307 -6.155 1.00 53.02 N ATOM 234 CA GLU A 17 16.764 10.051 -4.922 1.00 75.22 C ATOM 235 C GLU A 17 18.180 10.620 -4.885 1.00 45.01 C ATOM 236 O GLU A 17 18.478 11.521 -4.101 1.00 62.31 O ATOM 237 CB GLU A 17 16.532 9.151 -3.707 1.00 32.45 C ATOM 238 CG GLU A 17 16.390 9.916 -2.402 1.00 25.42 C ATOM 239 CD GLU A 17 15.000 10.493 -2.212 1.00 43.44 C ATOM 240 OE1 GLU A 17 14.056 9.703 -1.996 1.00 22.45 O ATOM 241 OE2 GLU A 17 14.856 11.730 -2.280 1.00 64.53 O ATOM 0 H GLU A 17 16.341 8.315 -6.020 1.00 53.02 H new ATOM 0 HA GLU A 17 16.057 10.880 -4.891 1.00 75.22 H new ATOM 0 HB2 GLU A 17 15.632 8.558 -3.871 1.00 32.45 H new ATOM 0 HB3 GLU A 17 17.363 8.451 -3.620 1.00 32.45 H new ATOM 0 HG2 GLU A 17 16.621 9.252 -1.569 1.00 25.42 H new ATOM 0 HG3 GLU A 17 17.121 10.724 -2.377 1.00 25.42 H new ATOM 248 N ARG A 18 19.048 10.085 -5.737 1.00 40.31 N ATOM 249 CA ARG A 18 20.433 10.537 -5.801 1.00 30.34 C ATOM 250 C ARG A 18 20.538 11.864 -6.547 1.00 54.11 C ATOM 251 O ARG A 18 21.159 12.811 -6.064 1.00 72.54 O ATOM 252 CB ARG A 18 21.305 9.483 -6.486 1.00 23.23 C ATOM 253 CG ARG A 18 22.214 8.729 -5.530 1.00 3.14 C ATOM 254 CD ARG A 18 23.474 8.240 -6.227 1.00 71.50 C ATOM 255 NE ARG A 18 24.082 7.109 -5.530 1.00 64.34 N ATOM 256 CZ ARG A 18 23.650 5.859 -5.645 1.00 43.33 C ATOM 257 NH1 ARG A 18 22.613 5.579 -6.424 1.00 31.24 N ATOM 258 NH2 ARG A 18 24.255 4.882 -4.979 1.00 62.53 N ATOM 0 H ARG A 18 18.817 9.338 -6.392 1.00 40.31 H new ATOM 0 HA ARG A 18 20.788 10.685 -4.781 1.00 30.34 H new ATOM 0 HB2 ARG A 18 20.661 8.770 -7.000 1.00 23.23 H new ATOM 0 HB3 ARG A 18 21.915 9.968 -7.248 1.00 23.23 H new ATOM 0 HG2 ARG A 18 22.486 9.378 -4.697 1.00 3.14 H new ATOM 0 HG3 ARG A 18 21.677 7.879 -5.109 1.00 3.14 H new ATOM 0 HD2 ARG A 18 23.233 7.949 -7.249 1.00 71.50 H new ATOM 0 HD3 ARG A 18 24.194 9.056 -6.290 1.00 71.50 H new ATOM 0 HE ARG A 18 24.881 7.290 -4.922 1.00 64.34 H new ATOM 0 HH11 ARG A 18 22.145 6.326 -6.937 1.00 31.24 H new ATOM 0 HH12 ARG A 18 22.284 4.617 -6.509 1.00 31.24 H new ATOM 0 HH21 ARG A 18 25.052 5.092 -4.378 1.00 62.53 H new ATOM 0 HH22 ARG A 18 23.922 3.922 -5.068 1.00 62.53 H new ATOM 272 N ILE A 19 19.928 11.923 -7.726 1.00 33.04 N ATOM 273 CA ILE A 19 19.953 13.133 -8.538 1.00 40.21 C ATOM 274 C ILE A 19 19.464 14.339 -7.743 1.00 71.01 C ATOM 275 O ILE A 19 18.419 14.286 -7.095 1.00 71.22 O ATOM 276 CB ILE A 19 19.086 12.981 -9.802 1.00 12.51 C ATOM 277 CG1 ILE A 19 19.587 11.811 -10.652 1.00 51.43 C ATOM 278 CG2 ILE A 19 19.095 14.271 -10.609 1.00 4.52 C ATOM 279 CD1 ILE A 19 18.474 10.992 -11.268 1.00 73.03 C ATOM 0 H ILE A 19 19.411 11.147 -8.140 1.00 33.04 H new ATOM 0 HA ILE A 19 20.990 13.292 -8.835 1.00 40.21 H new ATOM 0 HB ILE A 19 18.060 12.773 -9.499 1.00 12.51 H new ATOM 0 HG12 ILE A 19 20.226 12.197 -11.446 1.00 51.43 H new ATOM 0 HG13 ILE A 19 20.206 11.161 -10.033 1.00 51.43 H new ATOM 0 HG21 ILE A 19 18.478 14.148 -11.499 1.00 4.52 H new ATOM 0 HG22 ILE A 19 18.697 15.083 -10.001 1.00 4.52 H new ATOM 0 HG23 ILE A 19 20.117 14.507 -10.906 1.00 4.52 H new ATOM 0 HD11 ILE A 19 18.902 10.181 -11.856 1.00 73.03 H new ATOM 0 HD12 ILE A 19 17.848 10.576 -10.478 1.00 73.03 H new ATOM 0 HD13 ILE A 19 17.869 11.628 -11.914 1.00 73.03 H new ATOM 291 N ARG A 20 20.227 15.426 -7.798 1.00 42.20 N ATOM 292 CA ARG A 20 19.872 16.646 -7.084 1.00 24.13 C ATOM 293 C ARG A 20 19.011 17.555 -7.955 1.00 63.45 C ATOM 294 O ARG A 20 19.239 17.678 -9.159 1.00 50.24 O ATOM 295 CB ARG A 20 21.133 17.390 -6.642 1.00 13.41 C ATOM 296 CG ARG A 20 21.889 16.695 -5.521 1.00 71.04 C ATOM 297 CD ARG A 20 23.176 17.430 -5.178 1.00 21.22 C ATOM 298 NE ARG A 20 24.255 16.510 -4.829 1.00 32.15 N ATOM 299 CZ ARG A 20 25.432 16.905 -4.355 1.00 44.11 C ATOM 300 NH1 ARG A 20 25.679 18.195 -4.176 1.00 60.31 N ATOM 301 NH2 ARG A 20 26.364 16.007 -4.060 1.00 61.43 N ATOM 0 H ARG A 20 21.095 15.486 -8.330 1.00 42.20 H new ATOM 0 HA ARG A 20 19.297 16.366 -6.202 1.00 24.13 H new ATOM 0 HB2 ARG A 20 21.796 17.505 -7.499 1.00 13.41 H new ATOM 0 HB3 ARG A 20 20.857 18.393 -6.316 1.00 13.41 H new ATOM 0 HG2 ARG A 20 21.256 16.635 -4.636 1.00 71.04 H new ATOM 0 HG3 ARG A 20 22.121 15.672 -5.817 1.00 71.04 H new ATOM 0 HD2 ARG A 20 23.481 18.042 -6.027 1.00 21.22 H new ATOM 0 HD3 ARG A 20 22.995 18.109 -4.345 1.00 21.22 H new ATOM 0 HE ARG A 20 24.097 15.510 -4.956 1.00 32.15 H new ATOM 0 HH11 ARG A 20 24.965 18.887 -4.402 1.00 60.31 H new ATOM 0 HH12 ARG A 20 26.583 18.495 -3.812 1.00 60.31 H new ATOM 0 HH21 ARG A 20 26.177 15.014 -4.197 1.00 61.43 H new ATOM 0 HH22 ARG A 20 27.267 16.310 -3.696 1.00 61.43 H new ATOM 315 N LEU A 21 18.020 18.191 -7.340 1.00 34.53 N ATOM 316 CA LEU A 21 17.124 19.090 -8.059 1.00 51.15 C ATOM 317 C LEU A 21 17.903 20.222 -8.722 1.00 1.50 C ATOM 318 O LEU A 21 17.591 20.633 -9.839 1.00 44.41 O ATOM 319 CB LEU A 21 16.075 19.667 -7.107 1.00 20.12 C ATOM 320 CG LEU A 21 14.860 18.781 -6.830 1.00 0.12 C ATOM 321 CD1 LEU A 21 13.980 19.404 -5.758 1.00 44.11 C ATOM 322 CD2 LEU A 21 14.066 18.552 -8.108 1.00 1.51 C ATOM 0 H LEU A 21 17.817 18.101 -6.345 1.00 34.53 H new ATOM 0 HA LEU A 21 16.622 18.515 -8.837 1.00 51.15 H new ATOM 0 HB2 LEU A 21 16.560 19.891 -6.157 1.00 20.12 H new ATOM 0 HB3 LEU A 21 15.723 20.614 -7.517 1.00 20.12 H new ATOM 0 HG LEU A 21 15.212 17.816 -6.466 1.00 0.12 H new ATOM 0 HD11 LEU A 21 13.120 18.760 -5.574 1.00 44.11 H new ATOM 0 HD12 LEU A 21 14.553 19.517 -4.837 1.00 44.11 H new ATOM 0 HD13 LEU A 21 13.635 20.382 -6.093 1.00 44.11 H new ATOM 0 HD21 LEU A 21 13.205 17.919 -7.893 1.00 1.51 H new ATOM 0 HD22 LEU A 21 13.724 19.510 -8.500 1.00 1.51 H new ATOM 0 HD23 LEU A 21 14.700 18.063 -8.847 1.00 1.51 H new ATOM 334 N ARG A 22 18.921 20.719 -8.026 1.00 0.34 N ATOM 335 CA ARG A 22 19.746 21.801 -8.547 1.00 21.14 C ATOM 336 C ARG A 22 21.228 21.461 -8.427 1.00 31.01 C ATOM 337 O ARG A 22 21.634 20.615 -7.630 1.00 11.31 O ATOM 338 CB ARG A 22 19.448 23.103 -7.799 1.00 70.23 C ATOM 339 CG ARG A 22 18.286 23.889 -8.384 1.00 71.15 C ATOM 340 CD ARG A 22 18.058 25.190 -7.632 1.00 33.41 C ATOM 341 NE ARG A 22 19.257 26.025 -7.606 1.00 42.52 N ATOM 342 CZ ARG A 22 19.642 26.787 -8.623 1.00 34.54 C ATOM 343 NH1 ARG A 22 18.928 26.822 -9.739 1.00 52.41 N ATOM 344 NH2 ARG A 22 20.746 27.519 -8.524 1.00 61.51 N ATOM 0 H ARG A 22 19.193 20.389 -7.100 1.00 0.34 H new ATOM 0 HA ARG A 22 19.506 21.932 -9.602 1.00 21.14 H new ATOM 0 HB2 ARG A 22 19.231 22.872 -6.756 1.00 70.23 H new ATOM 0 HB3 ARG A 22 20.340 23.729 -7.807 1.00 70.23 H new ATOM 0 HG2 ARG A 22 18.483 24.104 -9.434 1.00 71.15 H new ATOM 0 HG3 ARG A 22 17.381 23.283 -8.348 1.00 71.15 H new ATOM 0 HD2 ARG A 22 17.243 25.741 -8.100 1.00 33.41 H new ATOM 0 HD3 ARG A 22 17.748 24.969 -6.611 1.00 33.41 H new ATOM 0 HE ARG A 22 19.829 26.022 -6.761 1.00 42.52 H new ATOM 0 HH11 ARG A 22 18.079 26.262 -9.819 1.00 52.41 H new ATOM 0 HH12 ARG A 22 19.227 27.409 -10.518 1.00 52.41 H new ATOM 0 HH21 ARG A 22 21.298 27.496 -7.667 1.00 61.51 H new ATOM 0 HH22 ARG A 22 21.042 28.104 -9.305 1.00 61.51 H new ATOM 358 N PRO A 23 22.058 22.136 -9.237 1.00 53.51 N ATOM 359 CA PRO A 23 23.508 21.922 -9.240 1.00 41.24 C ATOM 360 C PRO A 23 24.173 22.438 -7.969 1.00 1.34 C ATOM 361 O PRO A 23 25.159 21.871 -7.498 1.00 3.53 O ATOM 362 CB PRO A 23 23.982 22.725 -10.455 1.00 42.44 C ATOM 363 CG PRO A 23 22.946 23.778 -10.640 1.00 63.32 C ATOM 364 CD PRO A 23 21.644 23.159 -10.212 1.00 31.15 C ATOM 0 HA PRO A 23 23.764 20.863 -9.285 1.00 41.24 H new ATOM 0 HB2 PRO A 23 24.965 23.163 -10.281 1.00 42.44 H new ATOM 0 HB3 PRO A 23 24.066 22.093 -11.339 1.00 42.44 H new ATOM 0 HG2 PRO A 23 23.174 24.659 -10.041 1.00 63.32 H new ATOM 0 HG3 PRO A 23 22.901 24.102 -11.680 1.00 63.32 H new ATOM 0 HD2 PRO A 23 20.977 23.895 -9.763 1.00 31.15 H new ATOM 0 HD3 PRO A 23 21.112 22.719 -11.055 1.00 31.15 H new ATOM 372 N GLY A 24 23.627 23.517 -7.416 1.00 41.15 N ATOM 373 CA GLY A 24 24.181 24.091 -6.204 1.00 42.01 C ATOM 374 C GLY A 24 23.223 24.004 -5.032 1.00 1.11 C ATOM 375 O GLY A 24 23.330 24.772 -4.077 1.00 21.11 O ATOM 0 H GLY A 24 22.811 24.004 -7.786 1.00 41.15 H new ATOM 0 HA2 GLY A 24 25.107 23.575 -5.951 1.00 42.01 H new ATOM 0 HA3 GLY A 24 24.437 25.135 -6.384 1.00 42.01 H new ATOM 379 N GLY A 25 22.283 23.067 -5.106 1.00 22.23 N ATOM 380 CA GLY A 25 21.314 22.902 -4.038 1.00 21.35 C ATOM 381 C GLY A 25 21.634 21.722 -3.143 1.00 4.11 C ATOM 382 O GLY A 25 22.703 21.121 -3.252 1.00 33.32 O ATOM 0 H GLY A 25 22.175 22.419 -5.886 1.00 22.23 H new ATOM 0 HA2 GLY A 25 21.281 23.811 -3.438 1.00 21.35 H new ATOM 0 HA3 GLY A 25 20.322 22.769 -4.469 1.00 21.35 H new ATOM 386 N LYS A 26 20.704 21.387 -2.254 1.00 53.41 N ATOM 387 CA LYS A 26 20.892 20.269 -1.336 1.00 22.15 C ATOM 388 C LYS A 26 19.659 19.370 -1.315 1.00 33.13 C ATOM 389 O LYS A 26 19.527 18.500 -0.454 1.00 55.40 O ATOM 390 CB LYS A 26 21.183 20.786 0.076 1.00 55.02 C ATOM 391 CG LYS A 26 22.573 21.378 0.231 1.00 72.35 C ATOM 392 CD LYS A 26 23.531 20.392 0.878 1.00 31.14 C ATOM 393 CE LYS A 26 24.667 21.107 1.594 1.00 72.21 C ATOM 394 NZ LYS A 26 24.575 20.954 3.072 1.00 1.52 N ATOM 0 H LYS A 26 19.813 21.873 -2.150 1.00 53.41 H new ATOM 0 HA LYS A 26 21.742 19.683 -1.685 1.00 22.15 H new ATOM 0 HB2 LYS A 26 20.443 21.543 0.337 1.00 55.02 H new ATOM 0 HB3 LYS A 26 21.064 19.967 0.786 1.00 55.02 H new ATOM 0 HG2 LYS A 26 22.956 21.670 -0.747 1.00 72.35 H new ATOM 0 HG3 LYS A 26 22.518 22.283 0.835 1.00 72.35 H new ATOM 0 HD2 LYS A 26 22.988 19.768 1.588 1.00 31.14 H new ATOM 0 HD3 LYS A 26 23.940 19.728 0.117 1.00 31.14 H new ATOM 0 HE2 LYS A 26 25.621 20.711 1.247 1.00 72.21 H new ATOM 0 HE3 LYS A 26 24.649 22.166 1.337 1.00 72.21 H new ATOM 0 HZ1 LYS A 26 25.367 21.455 3.523 1.00 1.52 H new ATOM 0 HZ2 LYS A 26 23.676 21.355 3.407 1.00 1.52 H new ATOM 0 HZ3 LYS A 26 24.618 19.945 3.320 1.00 1.52 H new ATOM 408 N LYS A 27 18.759 19.586 -2.267 1.00 53.44 N ATOM 409 CA LYS A 27 17.538 18.794 -2.361 1.00 0.51 C ATOM 410 C LYS A 27 17.616 17.811 -3.524 1.00 4.01 C ATOM 411 O LYS A 27 18.206 18.107 -4.563 1.00 54.33 O ATOM 412 CB LYS A 27 16.324 19.709 -2.533 1.00 32.21 C ATOM 413 CG LYS A 27 15.848 20.339 -1.235 1.00 14.12 C ATOM 414 CD LYS A 27 14.889 21.488 -1.491 1.00 71.43 C ATOM 415 CE LYS A 27 15.631 22.756 -1.887 1.00 43.11 C ATOM 416 NZ LYS A 27 15.036 23.967 -1.258 1.00 72.51 N ATOM 0 H LYS A 27 18.852 20.304 -2.986 1.00 53.44 H new ATOM 0 HA LYS A 27 17.430 18.228 -1.436 1.00 0.51 H new ATOM 0 HB2 LYS A 27 16.573 20.500 -3.241 1.00 32.21 H new ATOM 0 HB3 LYS A 27 15.506 19.136 -2.970 1.00 32.21 H new ATOM 0 HG2 LYS A 27 15.356 19.584 -0.622 1.00 14.12 H new ATOM 0 HG3 LYS A 27 16.707 20.700 -0.669 1.00 14.12 H new ATOM 0 HD2 LYS A 27 14.191 21.212 -2.281 1.00 71.43 H new ATOM 0 HD3 LYS A 27 14.297 21.676 -0.595 1.00 71.43 H new ATOM 0 HE2 LYS A 27 16.677 22.671 -1.593 1.00 43.11 H new ATOM 0 HE3 LYS A 27 15.612 22.864 -2.971 1.00 43.11 H new ATOM 0 HZ1 LYS A 27 15.570 24.809 -1.553 1.00 72.51 H new ATOM 0 HZ2 LYS A 27 14.045 24.063 -1.558 1.00 72.51 H new ATOM 0 HZ3 LYS A 27 15.077 23.876 -0.223 1.00 72.51 H new ATOM 430 N LYS A 28 17.013 16.639 -3.344 1.00 74.54 N ATOM 431 CA LYS A 28 17.011 15.613 -4.380 1.00 3.32 C ATOM 432 C LYS A 28 15.602 15.389 -4.920 1.00 53.21 C ATOM 433 O LYS A 28 14.626 15.898 -4.368 1.00 72.01 O ATOM 434 CB LYS A 28 17.570 14.300 -3.826 1.00 31.21 C ATOM 435 CG LYS A 28 19.077 14.316 -3.633 1.00 0.33 C ATOM 436 CD LYS A 28 19.471 13.744 -2.280 1.00 54.34 C ATOM 437 CE LYS A 28 19.990 14.828 -1.347 1.00 44.11 C ATOM 438 NZ LYS A 28 18.911 15.376 -0.481 1.00 20.41 N ATOM 0 H LYS A 28 16.520 16.377 -2.490 1.00 74.54 H new ATOM 0 HA LYS A 28 17.645 15.955 -5.198 1.00 3.32 H new ATOM 0 HB2 LYS A 28 17.092 14.085 -2.870 1.00 31.21 H new ATOM 0 HB3 LYS A 28 17.307 13.488 -4.504 1.00 31.21 H new ATOM 0 HG2 LYS A 28 19.553 13.739 -4.426 1.00 0.33 H new ATOM 0 HG3 LYS A 28 19.445 15.338 -3.718 1.00 0.33 H new ATOM 0 HD2 LYS A 28 18.610 13.253 -1.826 1.00 54.34 H new ATOM 0 HD3 LYS A 28 20.238 12.981 -2.415 1.00 54.34 H new ATOM 0 HE2 LYS A 28 20.785 14.420 -0.723 1.00 44.11 H new ATOM 0 HE3 LYS A 28 20.429 15.634 -1.935 1.00 44.11 H new ATOM 0 HZ1 LYS A 28 19.035 16.404 -0.380 1.00 20.41 H new ATOM 0 HZ2 LYS A 28 17.986 15.180 -0.913 1.00 20.41 H new ATOM 0 HZ3 LYS A 28 18.957 14.928 0.456 1.00 20.41 H new ATOM 452 N TYR A 29 15.504 14.625 -6.003 1.00 21.34 N ATOM 453 CA TYR A 29 14.214 14.335 -6.618 1.00 2.25 C ATOM 454 C TYR A 29 13.412 13.356 -5.766 1.00 64.13 C ATOM 455 O TYR A 29 13.974 12.468 -5.125 1.00 61.22 O ATOM 456 CB TYR A 29 14.414 13.762 -8.022 1.00 50.23 C ATOM 457 CG TYR A 29 14.581 14.819 -9.089 1.00 65.34 C ATOM 458 CD1 TYR A 29 15.829 15.358 -9.374 1.00 40.11 C ATOM 459 CD2 TYR A 29 13.488 15.280 -9.815 1.00 63.03 C ATOM 460 CE1 TYR A 29 15.985 16.325 -10.348 1.00 12.44 C ATOM 461 CE2 TYR A 29 13.635 16.246 -10.791 1.00 64.15 C ATOM 462 CZ TYR A 29 14.886 16.766 -11.054 1.00 3.24 C ATOM 463 OH TYR A 29 15.038 17.727 -12.026 1.00 64.41 O ATOM 0 H TYR A 29 16.302 14.196 -6.472 1.00 21.34 H new ATOM 0 HA TYR A 29 13.655 15.268 -6.689 1.00 2.25 H new ATOM 0 HB2 TYR A 29 15.293 13.117 -8.020 1.00 50.23 H new ATOM 0 HB3 TYR A 29 13.559 13.135 -8.274 1.00 50.23 H new ATOM 0 HD1 TYR A 29 16.693 15.015 -8.824 1.00 40.11 H new ATOM 0 HD2 TYR A 29 12.507 14.876 -9.612 1.00 63.03 H new ATOM 0 HE1 TYR A 29 16.963 16.734 -10.555 1.00 12.44 H new ATOM 0 HE2 TYR A 29 12.775 16.593 -11.345 1.00 64.15 H new ATOM 0 HH TYR A 29 14.200 17.822 -12.526 1.00 64.41 H new ATOM 473 N ARG A 30 12.094 13.525 -5.766 1.00 44.11 N ATOM 474 CA ARG A 30 11.212 12.658 -4.994 1.00 15.53 C ATOM 475 C ARG A 30 9.978 12.275 -5.806 1.00 12.14 C ATOM 476 O ARG A 30 9.680 12.890 -6.830 1.00 51.22 O ATOM 477 CB ARG A 30 10.790 13.349 -3.697 1.00 64.30 C ATOM 478 CG ARG A 30 11.133 12.559 -2.445 1.00 34.12 C ATOM 479 CD ARG A 30 10.054 12.702 -1.382 1.00 41.00 C ATOM 480 NE ARG A 30 10.355 13.774 -0.438 1.00 34.34 N ATOM 481 CZ ARG A 30 9.507 14.192 0.495 1.00 62.14 C ATOM 482 NH1 ARG A 30 8.310 13.631 0.606 1.00 33.11 N ATOM 483 NH2 ARG A 30 9.853 15.173 1.318 1.00 11.20 N ATOM 0 H ARG A 30 11.613 14.255 -6.292 1.00 44.11 H new ATOM 0 HA ARG A 30 11.760 11.748 -4.750 1.00 15.53 H new ATOM 0 HB2 ARG A 30 11.271 14.326 -3.643 1.00 64.30 H new ATOM 0 HB3 ARG A 30 9.714 13.524 -3.722 1.00 64.30 H new ATOM 0 HG2 ARG A 30 11.257 11.507 -2.700 1.00 34.12 H new ATOM 0 HG3 ARG A 30 12.087 12.904 -2.046 1.00 34.12 H new ATOM 0 HD2 ARG A 30 9.096 12.900 -1.862 1.00 41.00 H new ATOM 0 HD3 ARG A 30 9.951 11.761 -0.841 1.00 41.00 H new ATOM 0 HE ARG A 30 11.267 14.227 -0.498 1.00 34.34 H new ATOM 0 HH11 ARG A 30 8.039 12.877 -0.026 1.00 33.11 H new ATOM 0 HH12 ARG A 30 7.660 13.953 1.323 1.00 33.11 H new ATOM 0 HH21 ARG A 30 10.772 15.608 1.235 1.00 11.20 H new ATOM 0 HH22 ARG A 30 9.200 15.492 2.034 1.00 11.20 H new ATOM 497 N LEU A 31 9.263 11.257 -5.341 1.00 13.42 N ATOM 498 CA LEU A 31 8.060 10.791 -6.023 1.00 32.44 C ATOM 499 C LEU A 31 7.176 11.966 -6.429 1.00 3.21 C ATOM 500 O LEU A 31 6.665 12.014 -7.548 1.00 73.51 O ATOM 501 CB LEU A 31 7.277 9.835 -5.122 1.00 65.03 C ATOM 502 CG LEU A 31 7.662 8.358 -5.215 1.00 23.52 C ATOM 503 CD1 LEU A 31 9.158 8.182 -5.010 1.00 35.34 C ATOM 504 CD2 LEU A 31 6.882 7.539 -4.196 1.00 51.22 C ATOM 0 H LEU A 31 9.495 10.738 -4.494 1.00 13.42 H new ATOM 0 HA LEU A 31 8.365 10.261 -6.925 1.00 32.44 H new ATOM 0 HB2 LEU A 31 7.402 10.158 -4.088 1.00 65.03 H new ATOM 0 HB3 LEU A 31 6.217 9.929 -5.360 1.00 65.03 H new ATOM 0 HG LEU A 31 7.408 7.998 -6.212 1.00 23.52 H new ATOM 0 HD11 LEU A 31 9.413 7.125 -5.080 1.00 35.34 H new ATOM 0 HD12 LEU A 31 9.698 8.737 -5.777 1.00 35.34 H new ATOM 0 HD13 LEU A 31 9.437 8.558 -4.026 1.00 35.34 H new ATOM 0 HD21 LEU A 31 7.168 6.490 -4.276 1.00 51.22 H new ATOM 0 HD22 LEU A 31 7.104 7.900 -3.192 1.00 51.22 H new ATOM 0 HD23 LEU A 31 5.814 7.639 -4.389 1.00 51.22 H new ATOM 516 N LYS A 32 7.000 12.912 -5.513 1.00 54.21 N ATOM 517 CA LYS A 32 6.182 14.090 -5.775 1.00 45.43 C ATOM 518 C LYS A 32 6.539 14.712 -7.121 1.00 31.31 C ATOM 519 O LYS A 32 5.659 15.060 -7.909 1.00 4.31 O ATOM 520 CB LYS A 32 6.363 15.121 -4.660 1.00 64.50 C ATOM 521 CG LYS A 32 5.064 15.774 -4.218 1.00 1.32 C ATOM 522 CD LYS A 32 4.345 14.934 -3.175 1.00 12.30 C ATOM 523 CE LYS A 32 4.864 15.220 -1.774 1.00 61.32 C ATOM 524 NZ LYS A 32 4.425 14.185 -0.798 1.00 2.00 N ATOM 0 H LYS A 32 7.414 12.886 -4.581 1.00 54.21 H new ATOM 0 HA LYS A 32 5.138 13.777 -5.805 1.00 45.43 H new ATOM 0 HB2 LYS A 32 6.827 14.637 -3.801 1.00 64.50 H new ATOM 0 HB3 LYS A 32 7.051 15.895 -5.000 1.00 64.50 H new ATOM 0 HG2 LYS A 32 5.273 16.763 -3.809 1.00 1.32 H new ATOM 0 HG3 LYS A 32 4.415 15.917 -5.082 1.00 1.32 H new ATOM 0 HD2 LYS A 32 3.275 15.138 -3.216 1.00 12.30 H new ATOM 0 HD3 LYS A 32 4.477 13.877 -3.404 1.00 12.30 H new ATOM 0 HE2 LYS A 32 5.953 15.263 -1.792 1.00 61.32 H new ATOM 0 HE3 LYS A 32 4.511 16.199 -1.449 1.00 61.32 H new ATOM 0 HZ1 LYS A 32 4.799 14.416 0.145 1.00 2.00 H new ATOM 0 HZ2 LYS A 32 3.386 14.161 -0.762 1.00 2.00 H new ATOM 0 HZ3 LYS A 32 4.783 13.255 -1.094 1.00 2.00 H new ATOM 538 N HIS A 33 7.835 14.849 -7.380 1.00 10.12 N ATOM 539 CA HIS A 33 8.310 15.428 -8.632 1.00 3.15 C ATOM 540 C HIS A 33 7.922 14.548 -9.817 1.00 54.33 C ATOM 541 O HIS A 33 7.665 15.112 -10.880 1.00 4.14 O ATOM 542 CB HIS A 33 9.827 15.610 -8.592 1.00 43.25 C ATOM 543 CG HIS A 33 10.289 16.552 -7.522 1.00 71.13 C ATOM 544 ND1 HIS A 33 11.040 16.150 -6.438 1.00 75.25 N ATOM 545 CD2 HIS A 33 10.103 17.885 -7.375 1.00 42.41 C ATOM 546 CE1 HIS A 33 11.295 17.195 -5.671 1.00 13.15 C ATOM 547 NE2 HIS A 33 10.737 18.260 -6.218 1.00 51.23 N ATOM 0 H HIS A 33 8.576 14.567 -6.739 1.00 10.12 H new ATOM 0 HA HIS A 33 7.839 16.403 -8.755 1.00 3.15 H new ATOM 0 HB2 HIS A 33 10.297 14.639 -8.438 1.00 43.25 H new ATOM 0 HB3 HIS A 33 10.166 15.978 -9.560 1.00 43.25 H new ATOM 0 HD2 HIS A 33 9.557 18.533 -8.045 1.00 42.41 H new ATOM 0 HE1 HIS A 33 11.863 17.181 -4.753 1.00 13.15 H new ATOM 0 HE2 HIS A 33 10.772 19.207 -5.841 1.00 51.23 H new ATOM 555 N ILE A 34 7.878 13.228 -9.668 1.00 50.13 N ATOM 556 CA ILE A 34 7.512 12.347 -10.772 1.00 31.53 C ATOM 557 C ILE A 34 6.040 12.505 -11.136 1.00 11.51 C ATOM 558 O ILE A 34 5.670 12.448 -12.309 1.00 3.14 O ATOM 559 CB ILE A 34 7.791 10.872 -10.431 1.00 25.23 C ATOM 560 CG1 ILE A 34 9.237 10.698 -9.964 1.00 35.23 C ATOM 561 CG2 ILE A 34 7.507 9.987 -11.635 1.00 13.14 C ATOM 562 CD1 ILE A 34 9.592 9.270 -9.615 1.00 15.43 C ATOM 0 H ILE A 34 8.091 12.745 -8.795 1.00 50.13 H new ATOM 0 HA ILE A 34 8.127 12.636 -11.624 1.00 31.53 H new ATOM 0 HB ILE A 34 7.129 10.571 -9.619 1.00 25.23 H new ATOM 0 HG12 ILE A 34 9.908 11.049 -10.748 1.00 35.23 H new ATOM 0 HG13 ILE A 34 9.407 11.330 -9.092 1.00 35.23 H new ATOM 0 HG21 ILE A 34 7.709 8.947 -11.378 1.00 13.14 H new ATOM 0 HG22 ILE A 34 6.462 10.092 -11.926 1.00 13.14 H new ATOM 0 HG23 ILE A 34 8.146 10.286 -12.465 1.00 13.14 H new ATOM 0 HD11 ILE A 34 10.632 9.222 -9.292 1.00 15.43 H new ATOM 0 HD12 ILE A 34 8.946 8.921 -8.810 1.00 15.43 H new ATOM 0 HD13 ILE A 34 9.455 8.636 -10.491 1.00 15.43 H new ATOM 574 N VAL A 35 5.204 12.704 -10.122 1.00 45.53 N ATOM 575 CA VAL A 35 3.771 12.872 -10.335 1.00 73.12 C ATOM 576 C VAL A 35 3.486 14.073 -11.230 1.00 2.34 C ATOM 577 O VAL A 35 2.895 13.935 -12.301 1.00 41.32 O ATOM 578 CB VAL A 35 3.023 13.050 -9.001 1.00 23.44 C ATOM 579 CG1 VAL A 35 1.522 13.125 -9.236 1.00 43.55 C ATOM 580 CG2 VAL A 35 3.364 11.919 -8.043 1.00 35.03 C ATOM 0 H VAL A 35 5.494 12.753 -9.145 1.00 45.53 H new ATOM 0 HA VAL A 35 3.415 11.966 -10.824 1.00 73.12 H new ATOM 0 HB VAL A 35 3.344 13.988 -8.548 1.00 23.44 H new ATOM 0 HG11 VAL A 35 1.010 13.251 -8.282 1.00 43.55 H new ATOM 0 HG12 VAL A 35 1.297 13.973 -9.883 1.00 43.55 H new ATOM 0 HG13 VAL A 35 1.182 12.205 -9.712 1.00 43.55 H new ATOM 0 HG21 VAL A 35 2.826 12.062 -7.106 1.00 35.03 H new ATOM 0 HG22 VAL A 35 3.074 10.967 -8.487 1.00 35.03 H new ATOM 0 HG23 VAL A 35 4.437 11.917 -7.849 1.00 35.03 H new ATOM 590 N TRP A 36 3.910 15.249 -10.784 1.00 21.14 N ATOM 591 CA TRP A 36 3.699 16.476 -11.545 1.00 54.20 C ATOM 592 C TRP A 36 3.980 16.252 -13.026 1.00 50.00 C ATOM 593 O TRP A 36 3.252 16.746 -13.887 1.00 13.42 O ATOM 594 CB TRP A 36 4.595 17.594 -11.007 1.00 52.41 C ATOM 595 CG TRP A 36 4.333 18.924 -11.646 1.00 53.42 C ATOM 596 CD1 TRP A 36 3.338 19.803 -11.330 1.00 73.51 C ATOM 597 CD2 TRP A 36 5.078 19.523 -12.712 1.00 72.52 C ATOM 598 NE1 TRP A 36 3.419 20.914 -12.135 1.00 62.04 N ATOM 599 CE2 TRP A 36 4.478 20.767 -12.991 1.00 70.04 C ATOM 600 CE3 TRP A 36 6.194 19.132 -13.457 1.00 41.04 C ATOM 601 CZ2 TRP A 36 4.957 21.619 -13.984 1.00 1.55 C ATOM 602 CZ3 TRP A 36 6.668 19.978 -14.442 1.00 10.01 C ATOM 603 CH2 TRP A 36 6.050 21.210 -14.698 1.00 14.34 C ATOM 0 H TRP A 36 4.402 15.380 -9.900 1.00 21.14 H new ATOM 0 HA TRP A 36 2.655 16.770 -11.432 1.00 54.20 H new ATOM 0 HB2 TRP A 36 4.449 17.681 -9.930 1.00 52.41 H new ATOM 0 HB3 TRP A 36 5.638 17.322 -11.166 1.00 52.41 H new ATOM 0 HD1 TRP A 36 2.596 19.648 -10.561 1.00 73.51 H new ATOM 0 HE1 TRP A 36 2.792 21.718 -12.101 1.00 62.04 H new ATOM 0 HE3 TRP A 36 6.678 18.185 -13.266 1.00 41.04 H new ATOM 0 HZ2 TRP A 36 4.482 22.568 -14.183 1.00 1.55 H new ATOM 0 HZ3 TRP A 36 7.529 19.685 -15.024 1.00 10.01 H new ATOM 0 HH2 TRP A 36 6.445 21.849 -15.474 1.00 14.34 H new ATOM 614 N ALA A 37 5.039 15.504 -13.318 1.00 13.45 N ATOM 615 CA ALA A 37 5.413 15.212 -14.695 1.00 74.22 C ATOM 616 C ALA A 37 4.363 14.342 -15.378 1.00 31.45 C ATOM 617 O ALA A 37 3.819 14.711 -16.419 1.00 15.42 O ATOM 618 CB ALA A 37 6.774 14.533 -14.741 1.00 13.33 C ATOM 0 H ALA A 37 5.653 15.089 -12.618 1.00 13.45 H new ATOM 0 HA ALA A 37 5.472 16.157 -15.236 1.00 74.22 H new ATOM 0 HB1 ALA A 37 7.040 14.321 -15.777 1.00 13.33 H new ATOM 0 HB2 ALA A 37 7.524 15.191 -14.301 1.00 13.33 H new ATOM 0 HB3 ALA A 37 6.735 13.600 -14.178 1.00 13.33 H new ATOM 624 N ALA A 38 4.083 13.186 -14.785 1.00 33.00 N ATOM 625 CA ALA A 38 3.097 12.266 -15.335 1.00 5.44 C ATOM 626 C ALA A 38 1.778 12.977 -15.619 1.00 31.24 C ATOM 627 O ALA A 38 1.140 12.735 -16.641 1.00 25.22 O ATOM 628 CB ALA A 38 2.875 11.099 -14.383 1.00 12.05 C ATOM 0 H ALA A 38 4.525 12.865 -13.924 1.00 33.00 H new ATOM 0 HA ALA A 38 3.483 11.883 -16.280 1.00 5.44 H new ATOM 0 HB1 ALA A 38 2.136 10.419 -14.807 1.00 12.05 H new ATOM 0 HB2 ALA A 38 3.814 10.567 -14.235 1.00 12.05 H new ATOM 0 HB3 ALA A 38 2.516 11.474 -13.425 1.00 12.05 H new ATOM 634 N ASN A 39 1.378 13.856 -14.705 1.00 64.24 N ATOM 635 CA ASN A 39 0.134 14.603 -14.858 1.00 42.13 C ATOM 636 C ASN A 39 0.214 15.557 -16.046 1.00 33.54 C ATOM 637 O ASN A 39 -0.613 15.505 -16.956 1.00 12.54 O ATOM 638 CB ASN A 39 -0.175 15.385 -13.581 1.00 33.43 C ATOM 639 CG ASN A 39 -1.027 14.592 -12.608 1.00 72.43 C ATOM 640 OD1 ASN A 39 -2.045 14.014 -12.987 1.00 20.45 O ATOM 641 ND2 ASN A 39 -0.612 14.562 -11.347 1.00 75.23 N ATOM 0 H ASN A 39 1.896 14.068 -13.852 1.00 64.24 H new ATOM 0 HA ASN A 39 -0.669 13.889 -15.042 1.00 42.13 H new ATOM 0 HB2 ASN A 39 0.760 15.666 -13.096 1.00 33.43 H new ATOM 0 HB3 ASN A 39 -0.690 16.310 -13.840 1.00 33.43 H new ATOM 0 HD21 ASN A 39 -1.144 14.044 -10.647 1.00 75.23 H new ATOM 0 HD22 ASN A 39 0.239 15.056 -11.078 1.00 75.23 H new ATOM 648 N LYS A 40 1.217 16.429 -16.030 1.00 60.13 N ATOM 649 CA LYS A 40 1.408 17.395 -17.105 1.00 52.22 C ATOM 650 C LYS A 40 1.222 16.735 -18.468 1.00 34.40 C ATOM 651 O LYS A 40 0.679 17.341 -19.394 1.00 34.25 O ATOM 652 CB LYS A 40 2.802 18.020 -17.015 1.00 55.25 C ATOM 653 CG LYS A 40 2.789 19.538 -16.999 1.00 30.31 C ATOM 654 CD LYS A 40 2.261 20.077 -15.681 1.00 5.14 C ATOM 655 CE LYS A 40 2.045 21.581 -15.739 1.00 71.33 C ATOM 656 NZ LYS A 40 1.220 22.068 -14.598 1.00 52.14 N ATOM 0 H LYS A 40 1.910 16.486 -15.284 1.00 60.13 H new ATOM 0 HA LYS A 40 0.658 18.178 -16.994 1.00 52.22 H new ATOM 0 HB2 LYS A 40 3.295 17.660 -16.112 1.00 55.25 H new ATOM 0 HB3 LYS A 40 3.399 17.679 -17.861 1.00 55.25 H new ATOM 0 HG2 LYS A 40 3.798 19.913 -17.168 1.00 30.31 H new ATOM 0 HG3 LYS A 40 2.171 19.906 -17.818 1.00 30.31 H new ATOM 0 HD2 LYS A 40 1.321 19.583 -15.435 1.00 5.14 H new ATOM 0 HD3 LYS A 40 2.964 19.840 -14.882 1.00 5.14 H new ATOM 0 HE2 LYS A 40 3.010 22.087 -15.731 1.00 71.33 H new ATOM 0 HE3 LYS A 40 1.556 21.842 -16.678 1.00 71.33 H new ATOM 0 HZ1 LYS A 40 0.746 22.954 -14.866 1.00 52.14 H new ATOM 0 HZ2 LYS A 40 0.506 21.352 -14.356 1.00 52.14 H new ATOM 0 HZ3 LYS A 40 1.832 22.238 -13.775 1.00 52.14 H new ATOM 670 N LEU A 41 1.674 15.492 -18.586 1.00 33.42 N ATOM 671 CA LEU A 41 1.556 14.750 -19.836 1.00 4.13 C ATOM 672 C LEU A 41 0.091 14.507 -20.189 1.00 34.11 C ATOM 673 O LEU A 41 -0.416 15.040 -21.176 1.00 10.10 O ATOM 674 CB LEU A 41 2.294 13.414 -19.731 1.00 4.24 C ATOM 675 CG LEU A 41 3.820 13.492 -19.702 1.00 73.22 C ATOM 676 CD1 LEU A 41 4.398 12.351 -18.878 1.00 54.04 C ATOM 677 CD2 LEU A 41 4.383 13.469 -21.116 1.00 42.21 C ATOM 0 H LEU A 41 2.126 14.976 -17.831 1.00 33.42 H new ATOM 0 HA LEU A 41 2.008 15.347 -20.628 1.00 4.13 H new ATOM 0 HB2 LEU A 41 1.959 12.906 -18.827 1.00 4.24 H new ATOM 0 HB3 LEU A 41 1.998 12.791 -20.575 1.00 4.24 H new ATOM 0 HG LEU A 41 4.107 14.433 -19.233 1.00 73.22 H new ATOM 0 HD11 LEU A 41 5.486 12.423 -18.869 1.00 54.04 H new ATOM 0 HD12 LEU A 41 4.022 12.413 -17.857 1.00 54.04 H new ATOM 0 HD13 LEU A 41 4.101 11.398 -19.317 1.00 54.04 H new ATOM 0 HD21 LEU A 41 5.471 13.525 -21.075 1.00 42.21 H new ATOM 0 HD22 LEU A 41 4.086 12.545 -21.611 1.00 42.21 H new ATOM 0 HD23 LEU A 41 3.996 14.321 -21.676 1.00 42.21 H new ATOM 689 N ASP A 42 -0.583 13.704 -19.374 1.00 13.33 N ATOM 690 CA ASP A 42 -1.991 13.394 -19.598 1.00 54.42 C ATOM 691 C ASP A 42 -2.768 14.647 -19.989 1.00 54.45 C ATOM 692 O ASP A 42 -3.529 14.640 -20.956 1.00 43.42 O ATOM 693 CB ASP A 42 -2.604 12.770 -18.343 1.00 54.44 C ATOM 694 CG ASP A 42 -3.362 11.492 -18.643 1.00 42.43 C ATOM 695 OD1 ASP A 42 -4.559 11.579 -18.986 1.00 63.34 O ATOM 696 OD2 ASP A 42 -2.758 10.405 -18.537 1.00 2.34 O ATOM 0 H ASP A 42 -0.178 13.256 -18.552 1.00 13.33 H new ATOM 0 HA ASP A 42 -2.054 12.679 -20.418 1.00 54.42 H new ATOM 0 HB2 ASP A 42 -1.814 12.560 -17.622 1.00 54.44 H new ATOM 0 HB3 ASP A 42 -3.278 13.488 -17.876 1.00 54.44 H new ATOM 701 N ARG A 43 -2.570 15.720 -19.231 1.00 71.31 N ATOM 702 CA ARG A 43 -3.253 16.980 -19.497 1.00 44.35 C ATOM 703 C ARG A 43 -2.926 17.491 -20.897 1.00 34.13 C ATOM 704 O ARG A 43 -3.814 17.651 -21.735 1.00 2.13 O ATOM 705 CB ARG A 43 -2.861 18.029 -18.454 1.00 55.54 C ATOM 706 CG ARG A 43 -3.787 18.068 -17.251 1.00 72.14 C ATOM 707 CD ARG A 43 -4.543 19.385 -17.173 1.00 71.45 C ATOM 708 NE ARG A 43 -5.737 19.283 -16.339 1.00 10.31 N ATOM 709 CZ ARG A 43 -6.587 20.286 -16.144 1.00 51.25 C ATOM 710 NH1 ARG A 43 -6.374 21.459 -16.723 1.00 63.32 N ATOM 711 NH2 ARG A 43 -7.651 20.114 -15.372 1.00 64.51 N ATOM 0 H ARG A 43 -1.942 15.742 -18.428 1.00 71.31 H new ATOM 0 HA ARG A 43 -4.327 16.802 -19.436 1.00 44.35 H new ATOM 0 HB2 ARG A 43 -1.845 17.828 -18.113 1.00 55.54 H new ATOM 0 HB3 ARG A 43 -2.851 19.012 -18.926 1.00 55.54 H new ATOM 0 HG2 ARG A 43 -4.497 17.243 -17.310 1.00 72.14 H new ATOM 0 HG3 ARG A 43 -3.207 17.925 -16.339 1.00 72.14 H new ATOM 0 HD2 ARG A 43 -3.886 20.157 -16.772 1.00 71.45 H new ATOM 0 HD3 ARG A 43 -4.828 19.699 -18.177 1.00 71.45 H new ATOM 0 HE ARG A 43 -5.930 18.392 -15.880 1.00 10.31 H new ATOM 0 HH11 ARG A 43 -5.557 21.593 -17.319 1.00 63.32 H new ATOM 0 HH12 ARG A 43 -7.027 22.228 -16.573 1.00 63.32 H new ATOM 0 HH21 ARG A 43 -7.818 19.211 -14.927 1.00 64.51 H new ATOM 0 HH22 ARG A 43 -8.303 20.884 -15.223 1.00 64.51 H new ATOM 725 N PHE A 44 -1.646 17.746 -21.144 1.00 33.10 N ATOM 726 CA PHE A 44 -1.200 18.241 -22.441 1.00 61.11 C ATOM 727 C PHE A 44 -1.730 17.361 -23.570 1.00 2.24 C ATOM 728 O PHE A 44 -2.190 17.858 -24.596 1.00 53.03 O ATOM 729 CB PHE A 44 0.329 18.293 -22.495 1.00 25.24 C ATOM 730 CG PHE A 44 0.908 19.521 -21.853 1.00 73.33 C ATOM 731 CD1 PHE A 44 0.412 20.778 -22.157 1.00 41.33 C ATOM 732 CD2 PHE A 44 1.951 19.419 -20.946 1.00 5.40 C ATOM 733 CE1 PHE A 44 0.944 21.909 -21.569 1.00 72.51 C ATOM 734 CE2 PHE A 44 2.488 20.546 -20.355 1.00 70.23 C ATOM 735 CZ PHE A 44 1.983 21.793 -20.667 1.00 32.54 C ATOM 0 H PHE A 44 -0.898 17.618 -20.462 1.00 33.10 H new ATOM 0 HA PHE A 44 -1.595 19.248 -22.572 1.00 61.11 H new ATOM 0 HB2 PHE A 44 0.733 17.409 -22.001 1.00 25.24 H new ATOM 0 HB3 PHE A 44 0.650 18.251 -23.536 1.00 25.24 H new ATOM 0 HD1 PHE A 44 -0.400 20.875 -22.862 1.00 41.33 H new ATOM 0 HD2 PHE A 44 2.349 18.446 -20.698 1.00 5.40 H new ATOM 0 HE1 PHE A 44 0.548 22.883 -21.815 1.00 72.51 H new ATOM 0 HE2 PHE A 44 3.301 20.452 -19.650 1.00 70.23 H new ATOM 0 HZ PHE A 44 2.400 22.676 -20.206 1.00 32.54 H new ATOM 745 N GLY A 45 -1.661 16.048 -23.371 1.00 33.15 N ATOM 746 CA GLY A 45 -2.135 15.119 -24.379 1.00 43.51 C ATOM 747 C GLY A 45 -1.274 13.874 -24.472 1.00 74.43 C ATOM 748 O GLY A 45 -1.582 12.953 -25.229 1.00 14.21 O ATOM 0 H GLY A 45 -1.285 15.612 -22.529 1.00 33.15 H new ATOM 0 HA2 GLY A 45 -3.161 14.831 -24.149 1.00 43.51 H new ATOM 0 HA3 GLY A 45 -2.153 15.618 -25.348 1.00 43.51 H new ATOM 752 N LEU A 46 -0.192 13.847 -23.702 1.00 54.22 N ATOM 753 CA LEU A 46 0.718 12.707 -23.702 1.00 34.32 C ATOM 754 C LEU A 46 0.360 11.724 -22.592 1.00 35.13 C ATOM 755 O LEU A 46 -0.228 12.104 -21.580 1.00 30.43 O ATOM 756 CB LEU A 46 2.162 13.182 -23.533 1.00 33.13 C ATOM 757 CG LEU A 46 2.867 13.656 -24.805 1.00 24.22 C ATOM 758 CD1 LEU A 46 3.669 14.920 -24.532 1.00 25.14 C ATOM 759 CD2 LEU A 46 3.767 12.560 -25.356 1.00 15.02 C ATOM 0 H LEU A 46 0.077 14.601 -23.070 1.00 54.22 H new ATOM 0 HA LEU A 46 0.620 12.196 -24.660 1.00 34.32 H new ATOM 0 HB2 LEU A 46 2.173 13.998 -22.810 1.00 33.13 H new ATOM 0 HB3 LEU A 46 2.743 12.367 -23.102 1.00 33.13 H new ATOM 0 HG LEU A 46 2.109 13.886 -25.553 1.00 24.22 H new ATOM 0 HD11 LEU A 46 4.163 15.242 -25.448 1.00 25.14 H new ATOM 0 HD12 LEU A 46 3.000 15.707 -24.184 1.00 25.14 H new ATOM 0 HD13 LEU A 46 4.419 14.717 -23.767 1.00 25.14 H new ATOM 0 HD21 LEU A 46 4.260 12.915 -26.261 1.00 15.02 H new ATOM 0 HD22 LEU A 46 4.519 12.298 -24.612 1.00 15.02 H new ATOM 0 HD23 LEU A 46 3.167 11.681 -25.591 1.00 15.02 H new ATOM 771 N ALA A 47 0.722 10.461 -22.787 1.00 61.11 N ATOM 772 CA ALA A 47 0.443 9.425 -21.801 1.00 1.14 C ATOM 773 C ALA A 47 1.595 9.284 -20.812 1.00 52.31 C ATOM 774 O ALA A 47 2.763 9.324 -21.197 1.00 40.30 O ATOM 775 CB ALA A 47 0.172 8.097 -22.492 1.00 61.01 C ATOM 0 H ALA A 47 1.210 10.130 -23.620 1.00 61.11 H new ATOM 0 HA ALA A 47 -0.446 9.719 -21.243 1.00 1.14 H new ATOM 0 HB1 ALA A 47 -0.035 7.333 -21.743 1.00 61.01 H new ATOM 0 HB2 ALA A 47 -0.689 8.200 -23.153 1.00 61.01 H new ATOM 0 HB3 ALA A 47 1.045 7.806 -23.076 1.00 61.01 H new ATOM 826 N LEU A 51 6.656 7.223 -19.801 1.00 61.24 N ATOM 827 CA LEU A 51 7.785 7.437 -18.903 1.00 0.51 C ATOM 828 C LEU A 51 8.370 6.107 -18.438 1.00 5.12 C ATOM 829 O LEU A 51 9.415 6.071 -17.789 1.00 5.33 O ATOM 830 CB LEU A 51 7.351 8.267 -17.693 1.00 71.51 C ATOM 831 CG LEU A 51 7.302 9.781 -17.901 1.00 71.51 C ATOM 832 CD1 LEU A 51 6.389 10.432 -16.874 1.00 61.12 C ATOM 833 CD2 LEU A 51 8.700 10.375 -17.827 1.00 32.12 C ATOM 0 HA LEU A 51 8.555 7.981 -19.451 1.00 0.51 H new ATOM 0 HB2 LEU A 51 6.362 7.931 -17.383 1.00 71.51 H new ATOM 0 HB3 LEU A 51 8.032 8.055 -16.869 1.00 71.51 H new ATOM 0 HG LEU A 51 6.897 9.979 -18.893 1.00 71.51 H new ATOM 0 HD11 LEU A 51 6.367 11.509 -17.038 1.00 61.12 H new ATOM 0 HD12 LEU A 51 5.381 10.029 -16.975 1.00 61.12 H new ATOM 0 HD13 LEU A 51 6.763 10.225 -15.871 1.00 61.12 H new ATOM 0 HD21 LEU A 51 8.646 11.453 -17.977 1.00 32.12 H new ATOM 0 HD22 LEU A 51 9.133 10.166 -16.849 1.00 32.12 H new ATOM 0 HD23 LEU A 51 9.325 9.932 -18.602 1.00 32.12 H new ATOM 845 N GLU A 52 7.689 5.016 -18.775 1.00 60.24 N ATOM 846 CA GLU A 52 8.142 3.685 -18.393 1.00 15.31 C ATOM 847 C GLU A 52 8.957 3.045 -19.513 1.00 45.12 C ATOM 848 O GLU A 52 9.084 1.822 -19.583 1.00 21.22 O ATOM 849 CB GLU A 52 6.947 2.795 -18.045 1.00 12.14 C ATOM 850 CG GLU A 52 5.917 3.479 -17.161 1.00 41.43 C ATOM 851 CD GLU A 52 4.682 2.628 -16.939 1.00 44.41 C ATOM 852 OE1 GLU A 52 4.755 1.404 -17.173 1.00 44.42 O ATOM 853 OE2 GLU A 52 3.643 3.186 -16.531 1.00 22.51 O ATOM 0 H GLU A 52 6.822 5.029 -19.312 1.00 60.24 H new ATOM 0 HA GLU A 52 8.779 3.785 -17.514 1.00 15.31 H new ATOM 0 HB2 GLU A 52 6.465 2.471 -18.967 1.00 12.14 H new ATOM 0 HB3 GLU A 52 7.307 1.898 -17.542 1.00 12.14 H new ATOM 0 HG2 GLU A 52 6.369 3.714 -16.198 1.00 41.43 H new ATOM 0 HG3 GLU A 52 5.625 4.426 -17.616 1.00 41.43 H new ATOM 860 N SER A 53 9.506 3.880 -20.389 1.00 14.00 N ATOM 861 CA SER A 53 10.305 3.396 -21.510 1.00 34.23 C ATOM 862 C SER A 53 11.193 4.507 -22.063 1.00 52.32 C ATOM 863 O SER A 53 10.718 5.596 -22.386 1.00 40.13 O ATOM 864 CB SER A 53 9.397 2.855 -22.615 1.00 71.40 C ATOM 865 OG SER A 53 9.305 3.771 -23.693 1.00 22.01 O ATOM 0 H SER A 53 9.413 4.895 -20.345 1.00 14.00 H new ATOM 0 HA SER A 53 10.944 2.590 -21.148 1.00 34.23 H new ATOM 0 HB2 SER A 53 9.785 1.902 -22.975 1.00 71.40 H new ATOM 0 HB3 SER A 53 8.403 2.662 -22.212 1.00 71.40 H new ATOM 0 HG SER A 53 9.749 3.394 -24.481 1.00 22.01 H new ATOM 871 N LYS A 54 12.487 4.224 -22.169 1.00 11.31 N ATOM 872 CA LYS A 54 13.443 5.196 -22.683 1.00 74.15 C ATOM 873 C LYS A 54 13.016 5.707 -24.056 1.00 30.10 C ATOM 874 O LYS A 54 13.093 6.903 -24.334 1.00 41.43 O ATOM 875 CB LYS A 54 14.839 4.572 -22.773 1.00 24.53 C ATOM 876 CG LYS A 54 15.927 5.565 -23.145 1.00 5.43 C ATOM 877 CD LYS A 54 17.229 4.861 -23.487 1.00 74.24 C ATOM 878 CE LYS A 54 17.937 5.536 -24.652 1.00 72.32 C ATOM 879 NZ LYS A 54 17.976 4.663 -25.858 1.00 71.13 N ATOM 0 H LYS A 54 12.897 3.328 -21.905 1.00 11.31 H new ATOM 0 HA LYS A 54 13.471 6.039 -21.993 1.00 74.15 H new ATOM 0 HB2 LYS A 54 15.087 4.117 -21.814 1.00 24.53 H new ATOM 0 HB3 LYS A 54 14.823 3.770 -23.511 1.00 24.53 H new ATOM 0 HG2 LYS A 54 15.600 6.162 -23.996 1.00 5.43 H new ATOM 0 HG3 LYS A 54 16.091 6.254 -22.316 1.00 5.43 H new ATOM 0 HD2 LYS A 54 17.883 4.858 -22.615 1.00 74.24 H new ATOM 0 HD3 LYS A 54 17.026 3.820 -23.737 1.00 74.24 H new ATOM 0 HE2 LYS A 54 17.428 6.469 -24.895 1.00 72.32 H new ATOM 0 HE3 LYS A 54 18.954 5.795 -24.358 1.00 72.32 H new ATOM 0 HZ1 LYS A 54 18.466 5.159 -26.630 1.00 71.13 H new ATOM 0 HZ2 LYS A 54 18.484 3.784 -25.634 1.00 71.13 H new ATOM 0 HZ3 LYS A 54 17.005 4.436 -26.154 1.00 71.13 H new ATOM 893 N GLU A 55 12.562 4.793 -24.908 1.00 14.52 N ATOM 894 CA GLU A 55 12.122 5.152 -26.250 1.00 43.14 C ATOM 895 C GLU A 55 11.050 6.236 -26.198 1.00 45.23 C ATOM 896 O GLU A 55 11.091 7.203 -26.957 1.00 51.22 O ATOM 897 CB GLU A 55 11.584 3.920 -26.982 1.00 64.31 C ATOM 898 CG GLU A 55 11.259 4.174 -28.444 1.00 32.53 C ATOM 899 CD GLU A 55 11.340 2.917 -29.287 1.00 10.14 C ATOM 900 OE1 GLU A 55 12.251 2.097 -29.045 1.00 14.24 O ATOM 901 OE2 GLU A 55 10.492 2.752 -30.189 1.00 0.01 O ATOM 0 H GLU A 55 12.490 3.799 -24.692 1.00 14.52 H new ATOM 0 HA GLU A 55 12.982 5.541 -26.795 1.00 43.14 H new ATOM 0 HB2 GLU A 55 12.320 3.119 -26.916 1.00 64.31 H new ATOM 0 HB3 GLU A 55 10.685 3.570 -26.474 1.00 64.31 H new ATOM 0 HG2 GLU A 55 10.256 4.595 -28.522 1.00 32.53 H new ATOM 0 HG3 GLU A 55 11.949 4.918 -28.842 1.00 32.53 H new ATOM 908 N GLY A 56 10.087 6.065 -25.297 1.00 21.23 N ATOM 909 CA GLY A 56 9.016 7.035 -25.162 1.00 21.44 C ATOM 910 C GLY A 56 9.525 8.411 -24.780 1.00 21.20 C ATOM 911 O GLY A 56 9.120 9.416 -25.366 1.00 44.12 O ATOM 0 H GLY A 56 10.030 5.272 -24.658 1.00 21.23 H new ATOM 0 HA2 GLY A 56 8.469 7.101 -26.103 1.00 21.44 H new ATOM 0 HA3 GLY A 56 8.310 6.690 -24.407 1.00 21.44 H new ATOM 915 N CYS A 57 10.412 8.459 -23.793 1.00 52.10 N ATOM 916 CA CYS A 57 10.975 9.723 -23.330 1.00 41.55 C ATOM 917 C CYS A 57 11.655 10.466 -24.476 1.00 30.11 C ATOM 918 O CYS A 57 11.737 11.694 -24.468 1.00 34.11 O ATOM 919 CB CYS A 57 11.976 9.476 -22.200 1.00 73.53 C ATOM 920 SG CYS A 57 11.331 9.838 -20.550 1.00 43.54 S ATOM 0 H CYS A 57 10.757 7.637 -23.297 1.00 52.10 H new ATOM 0 HA CYS A 57 10.159 10.340 -22.954 1.00 41.55 H new ATOM 0 HB2 CYS A 57 12.295 8.434 -22.233 1.00 73.53 H new ATOM 0 HB3 CYS A 57 12.862 10.087 -22.374 1.00 73.53 H new ATOM 0 HG CYS A 57 12.249 9.596 -19.662 1.00 43.54 H new ATOM 926 N GLN A 58 12.141 9.713 -25.458 1.00 24.03 N ATOM 927 CA GLN A 58 12.816 10.302 -26.608 1.00 25.14 C ATOM 928 C GLN A 58 11.839 11.110 -27.457 1.00 13.01 C ATOM 929 O GLN A 58 12.215 12.103 -28.079 1.00 15.21 O ATOM 930 CB GLN A 58 13.466 9.210 -27.458 1.00 41.42 C ATOM 931 CG GLN A 58 14.292 9.749 -28.613 1.00 74.24 C ATOM 932 CD GLN A 58 15.088 8.667 -29.317 1.00 51.34 C ATOM 933 OE1 GLN A 58 14.781 7.480 -29.201 1.00 34.52 O ATOM 934 NE2 GLN A 58 16.116 9.072 -30.055 1.00 21.25 N ATOM 0 H GLN A 58 12.080 8.695 -25.480 1.00 24.03 H new ATOM 0 HA GLN A 58 13.590 10.974 -26.239 1.00 25.14 H new ATOM 0 HB2 GLN A 58 14.104 8.597 -26.821 1.00 41.42 H new ATOM 0 HB3 GLN A 58 12.688 8.557 -27.853 1.00 41.42 H new ATOM 0 HG2 GLN A 58 13.631 10.234 -29.332 1.00 74.24 H new ATOM 0 HG3 GLN A 58 14.975 10.513 -28.241 1.00 74.24 H new ATOM 0 HE21 GLN A 58 16.335 10.066 -30.123 1.00 21.25 H new ATOM 0 HE22 GLN A 58 16.686 8.389 -30.553 1.00 21.25 H new ATOM 943 N LYS A 59 10.583 10.677 -27.479 1.00 33.12 N ATOM 944 CA LYS A 59 9.551 11.360 -28.251 1.00 12.20 C ATOM 945 C LYS A 59 8.994 12.551 -27.479 1.00 71.43 C ATOM 946 O LYS A 59 8.423 13.471 -28.067 1.00 44.41 O ATOM 947 CB LYS A 59 8.420 10.390 -28.598 1.00 14.31 C ATOM 948 CG LYS A 59 8.391 9.987 -30.062 1.00 75.11 C ATOM 949 CD LYS A 59 7.049 10.302 -30.701 1.00 71.51 C ATOM 950 CE LYS A 59 5.978 9.315 -30.262 1.00 72.54 C ATOM 951 NZ LYS A 59 6.220 7.953 -30.816 1.00 23.13 N ATOM 0 H LYS A 59 10.255 9.856 -26.971 1.00 33.12 H new ATOM 0 HA LYS A 59 10.003 11.726 -29.173 1.00 12.20 H new ATOM 0 HB2 LYS A 59 8.520 9.494 -27.985 1.00 14.31 H new ATOM 0 HB3 LYS A 59 7.466 10.849 -28.337 1.00 14.31 H new ATOM 0 HG2 LYS A 59 9.182 10.509 -30.600 1.00 75.11 H new ATOM 0 HG3 LYS A 59 8.596 8.920 -30.151 1.00 75.11 H new ATOM 0 HD2 LYS A 59 6.745 11.314 -30.432 1.00 71.51 H new ATOM 0 HD3 LYS A 59 7.146 10.276 -31.786 1.00 71.51 H new ATOM 0 HE2 LYS A 59 5.954 9.266 -29.173 1.00 72.54 H new ATOM 0 HE3 LYS A 59 5.000 9.671 -30.587 1.00 72.54 H new ATOM 0 HZ1 LYS A 59 5.344 7.395 -30.761 1.00 23.13 H new ATOM 0 HZ2 LYS A 59 6.520 8.030 -31.809 1.00 23.13 H new ATOM 0 HZ3 LYS A 59 6.966 7.482 -30.265 1.00 23.13 H new ATOM 965 N ILE A 60 9.166 12.531 -26.162 1.00 12.50 N ATOM 966 CA ILE A 60 8.683 13.611 -25.312 1.00 2.13 C ATOM 967 C ILE A 60 9.706 14.738 -25.219 1.00 71.14 C ATOM 968 O ILE A 60 9.346 15.914 -25.152 1.00 53.21 O ATOM 969 CB ILE A 60 8.359 13.109 -23.892 1.00 34.33 C ATOM 970 CG1 ILE A 60 7.365 11.948 -23.952 1.00 55.34 C ATOM 971 CG2 ILE A 60 7.806 14.244 -23.043 1.00 1.14 C ATOM 972 CD1 ILE A 60 7.043 11.358 -22.597 1.00 62.11 C ATOM 0 H ILE A 60 9.637 11.778 -25.660 1.00 12.50 H new ATOM 0 HA ILE A 60 7.770 13.989 -25.772 1.00 2.13 H new ATOM 0 HB ILE A 60 9.279 12.751 -23.430 1.00 34.33 H new ATOM 0 HG12 ILE A 60 6.442 12.294 -24.417 1.00 55.34 H new ATOM 0 HG13 ILE A 60 7.771 11.165 -24.593 1.00 55.34 H new ATOM 0 HG21 ILE A 60 7.582 13.874 -22.043 1.00 1.14 H new ATOM 0 HG22 ILE A 60 8.545 15.043 -22.977 1.00 1.14 H new ATOM 0 HG23 ILE A 60 6.895 14.630 -23.500 1.00 1.14 H new ATOM 0 HD11 ILE A 60 6.332 10.540 -22.716 1.00 62.11 H new ATOM 0 HD12 ILE A 60 7.957 10.981 -22.138 1.00 62.11 H new ATOM 0 HD13 ILE A 60 6.607 12.127 -21.959 1.00 62.11 H new ATOM 984 N LEU A 61 10.982 14.372 -25.220 1.00 14.42 N ATOM 985 CA LEU A 61 12.060 15.352 -25.138 1.00 61.11 C ATOM 986 C LEU A 61 12.275 16.038 -26.484 1.00 12.22 C ATOM 987 O LEU A 61 12.653 17.209 -26.543 1.00 42.14 O ATOM 988 CB LEU A 61 13.356 14.678 -24.683 1.00 71.34 C ATOM 989 CG LEU A 61 13.396 14.215 -23.227 1.00 43.11 C ATOM 990 CD1 LEU A 61 14.684 13.457 -22.943 1.00 62.10 C ATOM 991 CD2 LEU A 61 13.254 15.402 -22.286 1.00 34.03 C ATOM 0 H LEU A 61 11.297 13.403 -25.277 1.00 14.42 H new ATOM 0 HA LEU A 61 11.776 16.108 -24.406 1.00 61.11 H new ATOM 0 HB2 LEU A 61 13.537 13.814 -25.323 1.00 71.34 H new ATOM 0 HB3 LEU A 61 14.180 15.373 -24.845 1.00 71.34 H new ATOM 0 HG LEU A 61 12.557 13.540 -23.057 1.00 43.11 H new ATOM 0 HD11 LEU A 61 14.695 13.135 -21.902 1.00 62.10 H new ATOM 0 HD12 LEU A 61 14.743 12.584 -23.593 1.00 62.10 H new ATOM 0 HD13 LEU A 61 15.538 14.108 -23.130 1.00 62.10 H new ATOM 0 HD21 LEU A 61 13.285 15.054 -21.254 1.00 34.03 H new ATOM 0 HD22 LEU A 61 14.072 16.102 -22.457 1.00 34.03 H new ATOM 0 HD23 LEU A 61 12.304 15.902 -22.472 1.00 34.03 H new ATOM 1003 N THR A 62 12.030 15.302 -27.563 1.00 43.01 N ATOM 1004 CA THR A 62 12.195 15.839 -28.908 1.00 32.32 C ATOM 1005 C THR A 62 11.175 16.937 -29.191 1.00 10.44 C ATOM 1006 O THR A 62 11.468 17.903 -29.896 1.00 43.30 O ATOM 1007 CB THR A 62 12.054 14.737 -29.975 1.00 14.41 C ATOM 1008 OG1 THR A 62 12.645 15.168 -31.206 1.00 42.21 O ATOM 1009 CG2 THR A 62 10.592 14.387 -30.203 1.00 24.33 C ATOM 0 H THR A 62 11.716 14.332 -27.532 1.00 43.01 H new ATOM 0 HA THR A 62 13.200 16.258 -28.959 1.00 32.32 H new ATOM 0 HB THR A 62 12.571 13.847 -29.616 1.00 14.41 H new ATOM 0 HG1 THR A 62 12.552 14.461 -31.878 1.00 42.21 H new ATOM 0 HG21 THR A 62 10.519 13.607 -30.961 1.00 24.33 H new ATOM 0 HG22 THR A 62 10.154 14.030 -29.271 1.00 24.33 H new ATOM 0 HG23 THR A 62 10.054 15.273 -30.541 1.00 24.33 H new ATOM 1017 N VAL A 63 9.978 16.783 -28.636 1.00 3.02 N ATOM 1018 CA VAL A 63 8.914 17.763 -28.827 1.00 53.34 C ATOM 1019 C VAL A 63 9.138 18.993 -27.954 1.00 43.21 C ATOM 1020 O VAL A 63 9.044 20.127 -28.425 1.00 52.04 O ATOM 1021 CB VAL A 63 7.533 17.162 -28.507 1.00 30.15 C ATOM 1022 CG1 VAL A 63 6.447 18.219 -28.638 1.00 35.21 C ATOM 1023 CG2 VAL A 63 7.245 15.974 -29.413 1.00 74.20 C ATOM 0 H VAL A 63 9.720 15.989 -28.050 1.00 3.02 H new ATOM 0 HA VAL A 63 8.938 18.057 -29.876 1.00 53.34 H new ATOM 0 HB VAL A 63 7.540 16.809 -27.476 1.00 30.15 H new ATOM 0 HG11 VAL A 63 5.478 17.776 -28.408 1.00 35.21 H new ATOM 0 HG12 VAL A 63 6.647 19.034 -27.943 1.00 35.21 H new ATOM 0 HG13 VAL A 63 6.436 18.605 -29.657 1.00 35.21 H new ATOM 0 HG21 VAL A 63 6.265 15.562 -29.172 1.00 74.20 H new ATOM 0 HG22 VAL A 63 7.257 16.299 -30.453 1.00 74.20 H new ATOM 0 HG23 VAL A 63 8.007 15.209 -29.263 1.00 74.20 H new ATOM 1033 N LEU A 64 9.432 18.761 -26.680 1.00 32.14 N ATOM 1034 CA LEU A 64 9.670 19.850 -25.740 1.00 22.43 C ATOM 1035 C LEU A 64 11.017 20.516 -26.004 1.00 40.14 C ATOM 1036 O LEU A 64 11.263 21.638 -25.563 1.00 14.33 O ATOM 1037 CB LEU A 64 9.620 19.329 -24.302 1.00 61.21 C ATOM 1038 CG LEU A 64 8.380 18.517 -23.925 1.00 63.53 C ATOM 1039 CD1 LEU A 64 8.646 17.684 -22.681 1.00 4.04 C ATOM 1040 CD2 LEU A 64 7.187 19.436 -23.709 1.00 23.40 C ATOM 0 H LEU A 64 9.511 17.829 -26.274 1.00 32.14 H new ATOM 0 HA LEU A 64 8.885 20.593 -25.879 1.00 22.43 H new ATOM 0 HB2 LEU A 64 10.501 18.710 -24.130 1.00 61.21 H new ATOM 0 HB3 LEU A 64 9.692 20.181 -23.625 1.00 61.21 H new ATOM 0 HG LEU A 64 8.148 17.840 -24.747 1.00 63.53 H new ATOM 0 HD11 LEU A 64 7.753 17.113 -22.428 1.00 4.04 H new ATOM 0 HD12 LEU A 64 9.473 16.999 -22.871 1.00 4.04 H new ATOM 0 HD13 LEU A 64 8.904 18.342 -21.851 1.00 4.04 H new ATOM 0 HD21 LEU A 64 6.313 18.841 -23.442 1.00 23.40 H new ATOM 0 HD22 LEU A 64 7.409 20.137 -22.905 1.00 23.40 H new ATOM 0 HD23 LEU A 64 6.983 19.989 -24.626 1.00 23.40 H new ATOM 1052 N ASP A 65 11.883 19.817 -26.730 1.00 43.15 N ATOM 1053 CA ASP A 65 13.203 20.341 -27.059 1.00 33.45 C ATOM 1054 C ASP A 65 13.094 21.702 -27.739 1.00 12.30 C ATOM 1055 O ASP A 65 13.549 22.722 -27.219 1.00 1.32 O ATOM 1056 CB ASP A 65 13.953 19.363 -27.964 1.00 31.44 C ATOM 1057 CG ASP A 65 15.134 18.717 -27.267 1.00 31.32 C ATOM 1058 OD1 ASP A 65 15.089 18.583 -26.026 1.00 74.32 O ATOM 1059 OD2 ASP A 65 16.104 18.347 -27.961 1.00 32.11 O ATOM 0 H ASP A 65 11.694 18.886 -27.102 1.00 43.15 H new ATOM 0 HA ASP A 65 13.760 20.463 -26.130 1.00 33.45 H new ATOM 0 HB2 ASP A 65 13.267 18.587 -28.303 1.00 31.44 H new ATOM 0 HB3 ASP A 65 14.303 19.890 -28.852 1.00 31.44 H new ATOM 1064 N PRO A 66 12.479 21.721 -28.931 1.00 33.03 N ATOM 1065 CA PRO A 66 12.297 22.951 -29.708 1.00 42.21 C ATOM 1066 C PRO A 66 11.292 23.899 -29.064 1.00 33.11 C ATOM 1067 O PRO A 66 11.130 25.038 -29.505 1.00 1.44 O ATOM 1068 CB PRO A 66 11.769 22.445 -31.053 1.00 1.15 C ATOM 1069 CG PRO A 66 11.120 21.142 -30.738 1.00 45.55 C ATOM 1070 CD PRO A 66 11.914 20.544 -29.611 1.00 4.32 C ATOM 0 HA PRO A 66 13.220 23.525 -29.786 1.00 42.21 H new ATOM 0 HB2 PRO A 66 11.058 23.147 -31.489 1.00 1.15 H new ATOM 0 HB3 PRO A 66 12.577 22.321 -31.774 1.00 1.15 H new ATOM 0 HG2 PRO A 66 10.079 21.285 -30.449 1.00 45.55 H new ATOM 0 HG3 PRO A 66 11.122 20.485 -31.608 1.00 45.55 H new ATOM 0 HD2 PRO A 66 11.284 19.957 -28.942 1.00 4.32 H new ATOM 0 HD3 PRO A 66 12.695 19.879 -29.978 1.00 4.32 H new ATOM 1078 N MET A 67 10.621 23.425 -28.020 1.00 52.45 N ATOM 1079 CA MET A 67 9.633 24.233 -27.315 1.00 61.32 C ATOM 1080 C MET A 67 10.254 24.913 -26.100 1.00 42.21 C ATOM 1081 O MET A 67 9.741 25.918 -25.608 1.00 44.21 O ATOM 1082 CB MET A 67 8.450 23.366 -26.880 1.00 42.41 C ATOM 1083 CG MET A 67 7.651 22.800 -28.042 1.00 55.54 C ATOM 1084 SD MET A 67 6.205 23.799 -28.444 1.00 3.42 S ATOM 1085 CE MET A 67 5.602 22.951 -29.901 1.00 65.24 C ATOM 0 H MET A 67 10.743 22.485 -27.643 1.00 52.45 H new ATOM 0 HA MET A 67 9.277 25.004 -27.998 1.00 61.32 H new ATOM 0 HB2 MET A 67 8.819 22.543 -26.269 1.00 42.41 H new ATOM 0 HB3 MET A 67 7.788 23.959 -26.249 1.00 42.41 H new ATOM 0 HG2 MET A 67 8.294 22.729 -28.919 1.00 55.54 H new ATOM 0 HG3 MET A 67 7.331 21.787 -27.798 1.00 55.54 H new ATOM 0 HE1 MET A 67 4.707 23.452 -30.269 1.00 65.24 H new ATOM 0 HE2 MET A 67 6.370 22.965 -30.674 1.00 65.24 H new ATOM 0 HE3 MET A 67 5.361 21.919 -29.648 1.00 65.24 H new ATOM 1095 N VAL A 68 11.363 24.359 -25.619 1.00 74.33 N ATOM 1096 CA VAL A 68 12.054 24.913 -24.461 1.00 52.25 C ATOM 1097 C VAL A 68 12.143 26.432 -24.550 1.00 21.14 C ATOM 1098 O VAL A 68 11.679 27.158 -23.670 1.00 24.14 O ATOM 1099 CB VAL A 68 13.475 24.334 -24.326 1.00 54.13 C ATOM 1100 CG1 VAL A 68 14.403 25.343 -23.667 1.00 21.31 C ATOM 1101 CG2 VAL A 68 13.447 23.031 -23.542 1.00 63.02 C ATOM 0 H VAL A 68 11.802 23.527 -26.014 1.00 74.33 H new ATOM 0 HA VAL A 68 11.472 24.636 -23.582 1.00 52.25 H new ATOM 0 HB VAL A 68 13.858 24.122 -25.324 1.00 54.13 H new ATOM 0 HG11 VAL A 68 15.402 24.916 -23.580 1.00 21.31 H new ATOM 0 HG12 VAL A 68 14.446 26.248 -24.273 1.00 21.31 H new ATOM 0 HG13 VAL A 68 14.026 25.589 -22.674 1.00 21.31 H new ATOM 0 HG21 VAL A 68 14.459 22.636 -23.456 1.00 63.02 H new ATOM 0 HG22 VAL A 68 13.043 23.214 -22.546 1.00 63.02 H new ATOM 0 HG23 VAL A 68 12.818 22.308 -24.061 1.00 63.02 H new ATOM 1111 N PRO A 69 12.752 26.927 -25.636 1.00 73.45 N ATOM 1112 CA PRO A 69 12.915 28.366 -25.866 1.00 55.04 C ATOM 1113 C PRO A 69 11.591 29.058 -26.173 1.00 13.14 C ATOM 1114 O PRO A 69 11.371 30.204 -25.778 1.00 4.50 O ATOM 1115 CB PRO A 69 13.846 28.428 -27.081 1.00 22.33 C ATOM 1116 CG PRO A 69 13.625 27.139 -27.793 1.00 75.11 C ATOM 1117 CD PRO A 69 13.329 26.121 -26.725 1.00 71.14 C ATOM 0 HA PRO A 69 13.305 28.878 -24.986 1.00 55.04 H new ATOM 0 HB2 PRO A 69 13.608 29.279 -27.719 1.00 22.33 H new ATOM 0 HB3 PRO A 69 14.887 28.539 -26.777 1.00 22.33 H new ATOM 0 HG2 PRO A 69 12.796 27.219 -28.496 1.00 75.11 H new ATOM 0 HG3 PRO A 69 14.506 26.855 -28.369 1.00 75.11 H new ATOM 0 HD2 PRO A 69 12.631 25.362 -27.076 1.00 71.14 H new ATOM 0 HD3 PRO A 69 14.232 25.600 -26.405 1.00 71.14 H new ATOM 1125 N THR A 70 10.712 28.355 -26.880 1.00 43.21 N ATOM 1126 CA THR A 70 9.410 28.902 -27.240 1.00 74.12 C ATOM 1127 C THR A 70 8.297 28.259 -26.420 1.00 40.44 C ATOM 1128 O THR A 70 7.256 27.883 -26.957 1.00 3.33 O ATOM 1129 CB THR A 70 9.111 28.700 -28.738 1.00 50.50 C ATOM 1130 OG1 THR A 70 10.332 28.688 -29.485 1.00 13.32 O ATOM 1131 CG2 THR A 70 8.201 29.801 -29.262 1.00 53.43 C ATOM 0 H THR A 70 10.878 27.406 -27.215 1.00 43.21 H new ATOM 0 HA THR A 70 9.445 29.970 -27.024 1.00 74.12 H new ATOM 0 HB THR A 70 8.603 27.743 -28.858 1.00 50.50 H new ATOM 0 HG1 THR A 70 10.133 28.557 -30.436 1.00 13.32 H new ATOM 0 HG21 THR A 70 8.004 29.637 -30.321 1.00 53.43 H new ATOM 0 HG22 THR A 70 7.260 29.788 -28.712 1.00 53.43 H new ATOM 0 HG23 THR A 70 8.686 30.768 -29.129 1.00 53.43 H new ATOM 1139 N GLY A 71 8.525 28.136 -25.116 1.00 34.33 N ATOM 1140 CA GLY A 71 7.532 27.539 -24.242 1.00 41.22 C ATOM 1141 C GLY A 71 7.523 28.164 -22.862 1.00 1.31 C ATOM 1142 O GLY A 71 8.579 28.420 -22.282 1.00 20.31 O ATOM 0 H GLY A 71 9.380 28.439 -24.649 1.00 34.33 H new ATOM 0 HA2 GLY A 71 6.545 27.646 -24.692 1.00 41.22 H new ATOM 0 HA3 GLY A 71 7.727 26.470 -24.152 1.00 41.22 H new ATOM 1146 N SER A 72 6.329 28.411 -22.333 1.00 22.32 N ATOM 1147 CA SER A 72 6.187 29.015 -21.014 1.00 21.13 C ATOM 1148 C SER A 72 6.934 28.203 -19.961 1.00 53.41 C ATOM 1149 O SER A 72 7.376 27.084 -20.223 1.00 71.22 O ATOM 1150 CB SER A 72 4.709 29.124 -20.635 1.00 62.33 C ATOM 1151 OG SER A 72 4.293 28.002 -19.876 1.00 24.22 O ATOM 0 H SER A 72 5.446 28.202 -22.798 1.00 22.32 H new ATOM 0 HA SER A 72 6.620 30.015 -21.052 1.00 21.13 H new ATOM 0 HB2 SER A 72 4.544 30.036 -20.062 1.00 62.33 H new ATOM 0 HB3 SER A 72 4.103 29.201 -21.538 1.00 62.33 H new ATOM 0 HG SER A 72 3.345 28.097 -19.645 1.00 24.22 H new ATOM 1157 N GLU A 73 7.073 28.775 -18.769 1.00 0.01 N ATOM 1158 CA GLU A 73 7.768 28.104 -17.677 1.00 14.04 C ATOM 1159 C GLU A 73 7.149 26.738 -17.395 1.00 12.24 C ATOM 1160 O GLU A 73 7.856 25.771 -17.113 1.00 24.14 O ATOM 1161 CB GLU A 73 7.728 28.965 -16.412 1.00 23.50 C ATOM 1162 CG GLU A 73 8.546 30.241 -16.518 1.00 24.52 C ATOM 1163 CD GLU A 73 7.690 31.491 -16.432 1.00 4.10 C ATOM 1164 OE1 GLU A 73 6.808 31.668 -17.299 1.00 2.24 O ATOM 1165 OE2 GLU A 73 7.903 32.292 -15.497 1.00 43.31 O ATOM 0 H GLU A 73 6.714 29.701 -18.535 1.00 0.01 H new ATOM 0 HA GLU A 73 8.806 27.958 -17.977 1.00 14.04 H new ATOM 0 HB2 GLU A 73 6.692 29.225 -16.192 1.00 23.50 H new ATOM 0 HB3 GLU A 73 8.095 28.377 -15.571 1.00 23.50 H new ATOM 0 HG2 GLU A 73 9.290 30.259 -15.721 1.00 24.52 H new ATOM 0 HG3 GLU A 73 9.090 30.242 -17.462 1.00 24.52 H new ATOM 1172 N ASN A 74 5.824 26.668 -17.475 1.00 12.14 N ATOM 1173 CA ASN A 74 5.108 25.421 -17.227 1.00 74.20 C ATOM 1174 C ASN A 74 5.598 24.319 -18.162 1.00 3.12 C ATOM 1175 O ASN A 74 5.473 23.131 -17.858 1.00 31.31 O ATOM 1176 CB ASN A 74 3.604 25.628 -17.408 1.00 65.31 C ATOM 1177 CG ASN A 74 3.030 26.610 -16.405 1.00 20.40 C ATOM 1178 OD1 ASN A 74 3.329 27.804 -16.448 1.00 1.14 O ATOM 1179 ND2 ASN A 74 2.201 26.111 -15.497 1.00 22.00 N ATOM 0 H ASN A 74 5.225 27.459 -17.709 1.00 12.14 H new ATOM 0 HA ASN A 74 5.304 25.115 -16.199 1.00 74.20 H new ATOM 0 HB2 ASN A 74 3.409 25.989 -18.418 1.00 65.31 H new ATOM 0 HB3 ASN A 74 3.094 24.670 -17.307 1.00 65.31 H new ATOM 0 HD21 ASN A 74 1.783 26.724 -14.797 1.00 22.00 H new ATOM 0 HD22 ASN A 74 1.982 25.115 -15.499 1.00 22.00 H new ATOM 1186 N LEU A 75 6.156 24.719 -19.298 1.00 40.03 N ATOM 1187 CA LEU A 75 6.666 23.765 -20.278 1.00 33.21 C ATOM 1188 C LEU A 75 8.155 23.513 -20.067 1.00 70.12 C ATOM 1189 O LEU A 75 8.669 22.446 -20.406 1.00 21.44 O ATOM 1190 CB LEU A 75 6.420 24.282 -21.697 1.00 3.32 C ATOM 1191 CG LEU A 75 6.871 23.362 -22.833 1.00 23.32 C ATOM 1192 CD1 LEU A 75 5.904 23.446 -24.003 1.00 33.11 C ATOM 1193 CD2 LEU A 75 8.282 23.719 -23.277 1.00 43.14 C ATOM 0 H LEU A 75 6.267 25.697 -19.564 1.00 40.03 H new ATOM 0 HA LEU A 75 6.134 22.823 -20.144 1.00 33.21 H new ATOM 0 HB2 LEU A 75 5.353 24.474 -21.813 1.00 3.32 H new ATOM 0 HB3 LEU A 75 6.930 25.239 -21.807 1.00 3.32 H new ATOM 0 HG LEU A 75 6.875 22.336 -22.466 1.00 23.32 H new ATOM 0 HD11 LEU A 75 6.241 22.785 -24.802 1.00 33.11 H new ATOM 0 HD12 LEU A 75 4.910 23.142 -23.676 1.00 33.11 H new ATOM 0 HD13 LEU A 75 5.867 24.471 -24.372 1.00 33.11 H new ATOM 0 HD21 LEU A 75 8.588 23.055 -24.086 1.00 43.14 H new ATOM 0 HD22 LEU A 75 8.303 24.751 -23.627 1.00 43.14 H new ATOM 0 HD23 LEU A 75 8.967 23.607 -22.437 1.00 43.14 H new ATOM 1205 N LYS A 76 8.844 24.500 -19.506 1.00 22.33 N ATOM 1206 CA LYS A 76 10.274 24.384 -19.247 1.00 34.45 C ATOM 1207 C LYS A 76 10.543 23.407 -18.108 1.00 12.41 C ATOM 1208 O LYS A 76 11.523 22.661 -18.136 1.00 10.24 O ATOM 1209 CB LYS A 76 10.864 25.755 -18.906 1.00 13.02 C ATOM 1210 CG LYS A 76 11.736 26.333 -20.007 1.00 54.31 C ATOM 1211 CD LYS A 76 11.375 27.779 -20.304 1.00 42.33 C ATOM 1212 CE LYS A 76 12.475 28.479 -21.086 1.00 20.22 C ATOM 1213 NZ LYS A 76 12.960 29.701 -20.387 1.00 61.35 N ATOM 0 H LYS A 76 8.435 25.390 -19.222 1.00 22.33 H new ATOM 0 HA LYS A 76 10.752 24.003 -20.150 1.00 34.45 H new ATOM 0 HB2 LYS A 76 10.050 26.449 -18.696 1.00 13.02 H new ATOM 0 HB3 LYS A 76 11.454 25.670 -17.993 1.00 13.02 H new ATOM 0 HG2 LYS A 76 12.784 26.272 -19.712 1.00 54.31 H new ATOM 0 HG3 LYS A 76 11.624 25.736 -20.912 1.00 54.31 H new ATOM 0 HD2 LYS A 76 10.445 27.814 -20.872 1.00 42.33 H new ATOM 0 HD3 LYS A 76 11.198 28.310 -19.369 1.00 42.33 H new ATOM 0 HE2 LYS A 76 13.308 27.792 -21.236 1.00 20.22 H new ATOM 0 HE3 LYS A 76 12.103 28.749 -22.074 1.00 20.22 H new ATOM 0 HZ1 LYS A 76 13.709 30.150 -20.952 1.00 61.35 H new ATOM 0 HZ2 LYS A 76 12.171 30.368 -20.266 1.00 61.35 H new ATOM 0 HZ3 LYS A 76 13.339 29.440 -19.454 1.00 61.35 H new ATOM 1227 N SER A 77 9.668 23.415 -17.107 1.00 52.53 N ATOM 1228 CA SER A 77 9.813 22.529 -15.958 1.00 11.53 C ATOM 1229 C SER A 77 9.514 21.083 -16.344 1.00 72.33 C ATOM 1230 O SER A 77 10.142 20.151 -15.841 1.00 73.04 O ATOM 1231 CB SER A 77 8.882 22.969 -14.828 1.00 23.42 C ATOM 1232 OG SER A 77 8.754 21.954 -13.847 1.00 32.41 O ATOM 0 H SER A 77 8.852 24.025 -17.069 1.00 52.53 H new ATOM 0 HA SER A 77 10.845 22.588 -15.613 1.00 11.53 H new ATOM 0 HB2 SER A 77 9.269 23.878 -14.367 1.00 23.42 H new ATOM 0 HB3 SER A 77 7.900 23.211 -15.235 1.00 23.42 H new ATOM 0 HG SER A 77 7.813 21.694 -13.767 1.00 32.41 H new ATOM 1238 N LEU A 78 8.550 20.905 -17.241 1.00 14.12 N ATOM 1239 CA LEU A 78 8.166 19.573 -17.697 1.00 31.10 C ATOM 1240 C LEU A 78 9.278 18.940 -18.526 1.00 54.02 C ATOM 1241 O LEU A 78 9.356 17.717 -18.650 1.00 11.05 O ATOM 1242 CB LEU A 78 6.879 19.645 -18.519 1.00 72.32 C ATOM 1243 CG LEU A 78 6.494 18.374 -19.276 1.00 4.25 C ATOM 1244 CD1 LEU A 78 6.160 17.254 -18.302 1.00 55.41 C ATOM 1245 CD2 LEU A 78 5.319 18.642 -20.205 1.00 24.34 C ATOM 0 H LEU A 78 8.020 21.666 -17.667 1.00 14.12 H new ATOM 0 HA LEU A 78 7.994 18.951 -16.819 1.00 31.10 H new ATOM 0 HB2 LEU A 78 6.059 19.908 -17.851 1.00 72.32 H new ATOM 0 HB3 LEU A 78 6.977 20.457 -19.239 1.00 72.32 H new ATOM 0 HG LEU A 78 7.346 18.062 -19.880 1.00 4.25 H new ATOM 0 HD11 LEU A 78 5.888 16.357 -18.858 1.00 55.41 H new ATOM 0 HD12 LEU A 78 7.028 17.044 -17.677 1.00 55.41 H new ATOM 0 HD13 LEU A 78 5.324 17.557 -17.672 1.00 55.41 H new ATOM 0 HD21 LEU A 78 5.059 17.726 -20.736 1.00 24.34 H new ATOM 0 HD22 LEU A 78 4.463 18.979 -19.621 1.00 24.34 H new ATOM 0 HD23 LEU A 78 5.593 19.413 -20.925 1.00 24.34 H new ATOM 1257 N PHE A 79 10.139 19.780 -19.092 1.00 2.42 N ATOM 1258 CA PHE A 79 11.249 19.302 -19.909 1.00 61.05 C ATOM 1259 C PHE A 79 12.420 18.866 -19.035 1.00 34.52 C ATOM 1260 O PHE A 79 13.058 17.847 -19.295 1.00 23.21 O ATOM 1261 CB PHE A 79 11.701 20.394 -20.882 1.00 25.51 C ATOM 1262 CG PHE A 79 12.920 20.022 -21.676 1.00 22.42 C ATOM 1263 CD1 PHE A 79 12.866 19.010 -22.621 1.00 21.25 C ATOM 1264 CD2 PHE A 79 14.120 20.685 -21.477 1.00 13.42 C ATOM 1265 CE1 PHE A 79 13.986 18.666 -23.353 1.00 70.13 C ATOM 1266 CE2 PHE A 79 15.244 20.344 -22.207 1.00 33.52 C ATOM 1267 CZ PHE A 79 15.177 19.333 -23.146 1.00 31.22 C ATOM 0 H PHE A 79 10.089 20.795 -19.000 1.00 2.42 H new ATOM 0 HA PHE A 79 10.903 18.439 -20.478 1.00 61.05 H new ATOM 0 HB2 PHE A 79 10.885 20.618 -21.568 1.00 25.51 H new ATOM 0 HB3 PHE A 79 11.906 21.306 -20.322 1.00 25.51 H new ATOM 0 HD1 PHE A 79 11.938 18.484 -22.787 1.00 21.25 H new ATOM 0 HD2 PHE A 79 14.178 21.476 -20.744 1.00 13.42 H new ATOM 0 HE1 PHE A 79 13.930 17.876 -24.087 1.00 70.13 H new ATOM 0 HE2 PHE A 79 16.174 20.868 -22.043 1.00 33.52 H new ATOM 0 HZ PHE A 79 16.054 19.065 -23.717 1.00 31.22 H new ATOM 1277 N ASN A 80 12.699 19.650 -17.997 1.00 12.21 N ATOM 1278 CA ASN A 80 13.796 19.346 -17.084 1.00 62.43 C ATOM 1279 C ASN A 80 13.560 18.017 -16.374 1.00 53.23 C ATOM 1280 O ASN A 80 14.507 17.313 -16.021 1.00 12.51 O ATOM 1281 CB ASN A 80 13.953 20.467 -16.053 1.00 44.25 C ATOM 1282 CG ASN A 80 13.506 20.044 -14.668 1.00 31.51 C ATOM 1283 OD1 ASN A 80 14.200 19.294 -13.982 1.00 5.23 O ATOM 1284 ND2 ASN A 80 12.341 20.526 -14.250 1.00 13.12 N ATOM 0 H ASN A 80 12.182 20.499 -17.768 1.00 12.21 H new ATOM 0 HA ASN A 80 14.712 19.267 -17.669 1.00 62.43 H new ATOM 0 HB2 ASN A 80 14.997 20.779 -16.016 1.00 44.25 H new ATOM 0 HB3 ASN A 80 13.372 21.333 -16.371 1.00 44.25 H new ATOM 0 HD21 ASN A 80 11.988 20.277 -13.326 1.00 13.12 H new ATOM 0 HD22 ASN A 80 11.799 21.145 -14.853 1.00 13.12 H new ATOM 1291 N THR A 81 12.292 17.678 -16.170 1.00 5.21 N ATOM 1292 CA THR A 81 11.931 16.433 -15.502 1.00 14.31 C ATOM 1293 C THR A 81 12.149 15.235 -16.418 1.00 41.11 C ATOM 1294 O THR A 81 12.789 14.255 -16.035 1.00 33.43 O ATOM 1295 CB THR A 81 10.462 16.449 -15.038 1.00 31.30 C ATOM 1296 OG1 THR A 81 10.207 17.625 -14.260 1.00 60.34 O ATOM 1297 CG2 THR A 81 10.141 15.212 -14.214 1.00 13.31 C ATOM 0 H THR A 81 11.497 18.248 -16.458 1.00 5.21 H new ATOM 0 HA THR A 81 12.579 16.343 -14.630 1.00 14.31 H new ATOM 0 HB THR A 81 9.825 16.453 -15.922 1.00 31.30 H new ATOM 0 HG1 THR A 81 10.203 18.410 -14.846 1.00 60.34 H new ATOM 0 HG21 THR A 81 9.098 15.246 -13.898 1.00 13.31 H new ATOM 0 HG22 THR A 81 10.308 14.320 -14.817 1.00 13.31 H new ATOM 0 HG23 THR A 81 10.786 15.183 -13.336 1.00 13.31 H new ATOM 1305 N VAL A 82 11.613 15.318 -17.632 1.00 14.31 N ATOM 1306 CA VAL A 82 11.751 14.240 -18.605 1.00 22.25 C ATOM 1307 C VAL A 82 13.219 13.945 -18.893 1.00 72.41 C ATOM 1308 O VAL A 82 13.605 12.792 -19.081 1.00 44.45 O ATOM 1309 CB VAL A 82 11.037 14.582 -19.925 1.00 43.23 C ATOM 1310 CG1 VAL A 82 11.160 13.431 -20.912 1.00 31.21 C ATOM 1311 CG2 VAL A 82 9.576 14.921 -19.669 1.00 54.33 C ATOM 0 H VAL A 82 11.079 16.121 -17.965 1.00 14.31 H new ATOM 0 HA VAL A 82 11.286 13.356 -18.168 1.00 22.25 H new ATOM 0 HB VAL A 82 11.518 15.457 -20.362 1.00 43.23 H new ATOM 0 HG11 VAL A 82 10.649 13.691 -21.839 1.00 31.21 H new ATOM 0 HG12 VAL A 82 12.213 13.240 -21.119 1.00 31.21 H new ATOM 0 HG13 VAL A 82 10.706 12.536 -20.486 1.00 31.21 H new ATOM 0 HG21 VAL A 82 9.087 15.160 -20.613 1.00 54.33 H new ATOM 0 HG22 VAL A 82 9.079 14.066 -19.209 1.00 54.33 H new ATOM 0 HG23 VAL A 82 9.513 15.780 -19.000 1.00 54.33 H new ATOM 1321 N CYS A 83 14.032 14.995 -18.927 1.00 21.42 N ATOM 1322 CA CYS A 83 15.458 14.850 -19.194 1.00 62.10 C ATOM 1323 C CYS A 83 16.121 13.965 -18.143 1.00 22.01 C ATOM 1324 O CYS A 83 17.084 13.254 -18.431 1.00 61.42 O ATOM 1325 CB CYS A 83 16.136 16.221 -19.224 1.00 25.42 C ATOM 1326 SG CYS A 83 16.336 16.909 -20.884 1.00 15.03 S ATOM 0 H CYS A 83 13.728 15.956 -18.773 1.00 21.42 H new ATOM 0 HA CYS A 83 15.573 14.375 -20.168 1.00 62.10 H new ATOM 0 HB2 CYS A 83 15.552 16.917 -18.622 1.00 25.42 H new ATOM 0 HB3 CYS A 83 17.117 16.140 -18.755 1.00 25.42 H new ATOM 0 HG CYS A 83 15.595 17.970 -21.006 1.00 15.03 H new ATOM 1332 N VAL A 84 15.598 14.014 -16.921 1.00 43.22 N ATOM 1333 CA VAL A 84 16.138 13.217 -15.826 1.00 53.10 C ATOM 1334 C VAL A 84 15.678 11.768 -15.922 1.00 3.21 C ATOM 1335 O VAL A 84 16.456 10.841 -15.691 1.00 32.14 O ATOM 1336 CB VAL A 84 15.722 13.788 -14.458 1.00 21.14 C ATOM 1337 CG1 VAL A 84 16.248 12.912 -13.331 1.00 64.42 C ATOM 1338 CG2 VAL A 84 16.214 15.219 -14.305 1.00 62.42 C ATOM 0 H VAL A 84 14.801 14.597 -16.665 1.00 43.22 H new ATOM 0 HA VAL A 84 17.224 13.256 -15.912 1.00 53.10 H new ATOM 0 HB VAL A 84 14.633 13.795 -14.403 1.00 21.14 H new ATOM 0 HG11 VAL A 84 15.944 13.331 -12.372 1.00 64.42 H new ATOM 0 HG12 VAL A 84 15.841 11.906 -13.432 1.00 64.42 H new ATOM 0 HG13 VAL A 84 17.336 12.870 -13.380 1.00 64.42 H new ATOM 0 HG21 VAL A 84 15.911 15.606 -13.332 1.00 62.42 H new ATOM 0 HG22 VAL A 84 17.301 15.240 -14.381 1.00 62.42 H new ATOM 0 HG23 VAL A 84 15.783 15.838 -15.092 1.00 62.42 H new ATOM 1348 N ILE A 85 14.408 11.578 -16.264 1.00 14.21 N ATOM 1349 CA ILE A 85 13.844 10.239 -16.392 1.00 60.21 C ATOM 1350 C ILE A 85 14.587 9.428 -17.448 1.00 41.20 C ATOM 1351 O ILE A 85 15.038 8.314 -17.185 1.00 4.44 O ATOM 1352 CB ILE A 85 12.349 10.292 -16.759 1.00 1.40 C ATOM 1353 CG1 ILE A 85 11.564 11.051 -15.688 1.00 31.15 C ATOM 1354 CG2 ILE A 85 11.796 8.885 -16.931 1.00 13.31 C ATOM 1355 CD1 ILE A 85 11.449 10.303 -14.378 1.00 50.22 C ATOM 0 H ILE A 85 13.750 12.333 -16.457 1.00 14.21 H new ATOM 0 HA ILE A 85 13.955 9.755 -15.422 1.00 60.21 H new ATOM 0 HB ILE A 85 12.241 10.823 -17.705 1.00 1.40 H new ATOM 0 HG12 ILE A 85 12.047 12.011 -15.507 1.00 31.15 H new ATOM 0 HG13 ILE A 85 10.563 11.263 -16.065 1.00 31.15 H new ATOM 0 HG21 ILE A 85 10.739 8.939 -17.190 1.00 13.31 H new ATOM 0 HG22 ILE A 85 12.339 8.375 -17.727 1.00 13.31 H new ATOM 0 HG23 ILE A 85 11.914 8.331 -15.999 1.00 13.31 H new ATOM 0 HD11 ILE A 85 10.880 10.901 -13.666 1.00 50.22 H new ATOM 0 HD12 ILE A 85 10.939 9.354 -14.544 1.00 50.22 H new ATOM 0 HD13 ILE A 85 12.445 10.114 -13.978 1.00 50.22 H new ATOM 1367 N TRP A 86 14.711 9.995 -18.642 1.00 42.41 N ATOM 1368 CA TRP A 86 15.402 9.324 -19.738 1.00 70.11 C ATOM 1369 C TRP A 86 16.778 8.838 -19.297 1.00 43.51 C ATOM 1370 O TRP A 86 17.164 7.702 -19.579 1.00 2.35 O ATOM 1371 CB TRP A 86 15.540 10.267 -20.935 1.00 30.45 C ATOM 1372 CG TRP A 86 16.162 9.619 -22.134 1.00 22.51 C ATOM 1373 CD1 TRP A 86 15.509 9.012 -23.169 1.00 35.52 C ATOM 1374 CD2 TRP A 86 17.560 9.510 -22.420 1.00 34.24 C ATOM 1375 NE1 TRP A 86 16.418 8.534 -24.082 1.00 0.41 N ATOM 1376 CE2 TRP A 86 17.683 8.828 -23.645 1.00 43.44 C ATOM 1377 CE3 TRP A 86 18.722 9.926 -21.762 1.00 24.35 C ATOM 1378 CZ2 TRP A 86 18.919 8.550 -24.223 1.00 23.12 C ATOM 1379 CZ3 TRP A 86 19.947 9.650 -22.335 1.00 40.45 C ATOM 1380 CH2 TRP A 86 20.040 8.968 -23.557 1.00 25.24 C ATOM 0 H TRP A 86 14.343 10.917 -18.877 1.00 42.41 H new ATOM 0 HA TRP A 86 14.809 8.459 -20.033 1.00 70.11 H new ATOM 0 HB2 TRP A 86 14.554 10.645 -21.206 1.00 30.45 H new ATOM 0 HB3 TRP A 86 16.142 11.127 -20.643 1.00 30.45 H new ATOM 0 HD1 TRP A 86 14.436 8.921 -23.257 1.00 35.52 H new ATOM 0 HE1 TRP A 86 16.188 8.041 -24.945 1.00 0.41 H new ATOM 0 HE3 TRP A 86 18.662 10.454 -20.822 1.00 24.35 H new ATOM 0 HZ2 TRP A 86 18.991 8.023 -25.163 1.00 23.12 H new ATOM 0 HZ3 TRP A 86 20.850 9.965 -21.833 1.00 40.45 H new ATOM 0 HH2 TRP A 86 21.013 8.769 -23.980 1.00 25.24 H new ATOM 1391 N CYS A 87 17.512 9.702 -18.607 1.00 53.32 N ATOM 1392 CA CYS A 87 18.847 9.359 -18.128 1.00 52.40 C ATOM 1393 C CYS A 87 18.811 8.093 -17.277 1.00 22.31 C ATOM 1394 O CYS A 87 19.618 7.182 -17.465 1.00 72.51 O ATOM 1395 CB CYS A 87 19.434 10.515 -17.318 1.00 73.03 C ATOM 1396 SG CYS A 87 20.489 11.628 -18.278 1.00 42.33 S ATOM 0 H CYS A 87 17.207 10.645 -18.366 1.00 53.32 H new ATOM 0 HA CYS A 87 19.481 9.174 -18.996 1.00 52.40 H new ATOM 0 HB2 CYS A 87 18.617 11.091 -16.883 1.00 73.03 H new ATOM 0 HB3 CYS A 87 20.013 10.107 -16.490 1.00 73.03 H new ATOM 0 HG CYS A 87 21.685 11.640 -17.768 1.00 42.33 H new ATOM 1402 N ILE A 88 17.871 8.045 -16.339 1.00 2.44 N ATOM 1403 CA ILE A 88 17.730 6.891 -15.458 1.00 41.22 C ATOM 1404 C ILE A 88 17.598 5.600 -16.260 1.00 32.21 C ATOM 1405 O ILE A 88 18.199 4.581 -15.919 1.00 20.01 O ATOM 1406 CB ILE A 88 16.507 7.035 -14.533 1.00 64.33 C ATOM 1407 CG1 ILE A 88 16.635 8.296 -13.675 1.00 12.42 C ATOM 1408 CG2 ILE A 88 16.359 5.802 -13.655 1.00 13.04 C ATOM 1409 CD1 ILE A 88 15.329 8.738 -13.053 1.00 10.22 C ATOM 0 H ILE A 88 17.196 8.791 -16.169 1.00 2.44 H new ATOM 0 HA ILE A 88 18.633 6.847 -14.849 1.00 41.22 H new ATOM 0 HB ILE A 88 15.612 7.127 -15.149 1.00 64.33 H new ATOM 0 HG12 ILE A 88 17.362 8.115 -12.884 1.00 12.42 H new ATOM 0 HG13 ILE A 88 17.028 9.106 -14.290 1.00 12.42 H new ATOM 0 HG21 ILE A 88 15.490 5.919 -13.007 1.00 13.04 H new ATOM 0 HG22 ILE A 88 16.227 4.921 -14.284 1.00 13.04 H new ATOM 0 HG23 ILE A 88 17.254 5.681 -13.044 1.00 13.04 H new ATOM 0 HD11 ILE A 88 15.495 9.637 -12.459 1.00 10.22 H new ATOM 0 HD12 ILE A 88 14.605 8.951 -13.840 1.00 10.22 H new ATOM 0 HD13 ILE A 88 14.945 7.945 -12.411 1.00 10.22 H new ATOM 1421 N HIS A 89 16.809 5.652 -17.328 1.00 43.14 N ATOM 1422 CA HIS A 89 16.599 4.487 -18.182 1.00 32.05 C ATOM 1423 C HIS A 89 17.821 4.230 -19.058 1.00 14.01 C ATOM 1424 O HIS A 89 18.238 3.074 -19.123 1.00 50.41 O ATOM 1425 CB HIS A 89 15.362 4.686 -19.057 1.00 5.01 C ATOM 1426 CG HIS A 89 14.088 4.800 -18.277 1.00 3.03 C ATOM 1427 ND1 HIS A 89 13.866 4.126 -17.095 1.00 15.13 N ATOM 1428 CD2 HIS A 89 12.965 5.517 -18.515 1.00 43.44 C ATOM 1429 CE1 HIS A 89 12.661 4.422 -16.641 1.00 55.11 C ATOM 1430 NE2 HIS A 89 12.094 5.265 -17.485 1.00 51.13 N ATOM 0 H HIS A 89 16.304 6.488 -17.623 1.00 43.14 H new ATOM 0 HA HIS A 89 16.444 3.619 -17.541 1.00 32.05 H new ATOM 0 HB2 HIS A 89 15.493 5.587 -19.657 1.00 5.01 H new ATOM 0 HB3 HIS A 89 15.280 3.850 -19.751 1.00 5.01 H new ATOM 0 HD2 HIS A 89 12.787 6.167 -19.359 1.00 43.44 H new ATOM 0 HE1 HIS A 89 12.216 4.040 -15.734 1.00 55.11 H new ATOM 0 HE2 HIS A 89 11.160 5.664 -17.387 1.00 51.13 H new ATOM 1438 N ALA A 90 18.386 5.241 -19.711 1.00 40.54 N ATOM 1439 CA ALA A 90 19.555 5.044 -20.559 1.00 42.42 C ATOM 1440 C ALA A 90 20.738 4.523 -19.749 1.00 42.14 C ATOM 1441 O ALA A 90 21.734 4.068 -20.312 1.00 71.20 O ATOM 1442 CB ALA A 90 19.924 6.343 -21.260 1.00 12.22 C ATOM 0 H ALA A 90 18.053 6.204 -19.669 1.00 40.54 H new ATOM 0 HA ALA A 90 19.306 4.296 -21.312 1.00 42.42 H new ATOM 0 HB1 ALA A 90 20.799 6.181 -21.890 1.00 12.22 H new ATOM 0 HB2 ALA A 90 19.089 6.673 -21.877 1.00 12.22 H new ATOM 0 HB3 ALA A 90 20.149 7.107 -20.516 1.00 12.22 H new ATOM 1448 N GLU A 91 20.622 4.593 -18.428 1.00 23.23 N ATOM 1449 CA GLU A 91 21.684 4.130 -17.542 1.00 3.51 C ATOM 1450 C GLU A 91 22.836 5.129 -17.505 1.00 44.01 C ATOM 1451 O GLU A 91 24.004 4.744 -17.480 1.00 53.01 O ATOM 1452 CB GLU A 91 22.195 2.761 -17.996 1.00 74.44 C ATOM 1453 CG GLU A 91 22.573 1.841 -16.847 1.00 42.40 C ATOM 1454 CD GLU A 91 23.783 0.983 -17.161 1.00 44.42 C ATOM 1455 OE1 GLU A 91 23.769 0.295 -18.203 1.00 43.42 O ATOM 1456 OE2 GLU A 91 24.743 0.998 -16.363 1.00 22.35 O ATOM 0 H GLU A 91 19.804 4.966 -17.947 1.00 23.23 H new ATOM 0 HA GLU A 91 21.272 4.041 -16.537 1.00 3.51 H new ATOM 0 HB2 GLU A 91 21.427 2.278 -18.600 1.00 74.44 H new ATOM 0 HB3 GLU A 91 23.064 2.902 -18.639 1.00 74.44 H new ATOM 0 HG2 GLU A 91 22.777 2.440 -15.959 1.00 42.40 H new ATOM 0 HG3 GLU A 91 21.727 1.196 -16.609 1.00 42.40 H new ATOM 1463 N GLU A 92 22.497 6.414 -17.502 1.00 23.41 N ATOM 1464 CA GLU A 92 23.504 7.470 -17.469 1.00 41.35 C ATOM 1465 C GLU A 92 23.598 8.089 -16.078 1.00 65.22 C ATOM 1466 O GLU A 92 22.582 8.377 -15.444 1.00 34.53 O ATOM 1467 CB GLU A 92 23.174 8.552 -18.500 1.00 12.30 C ATOM 1468 CG GLU A 92 23.432 8.124 -19.935 1.00 64.42 C ATOM 1469 CD GLU A 92 24.863 8.373 -20.370 1.00 11.25 C ATOM 1470 OE1 GLU A 92 25.728 8.557 -19.488 1.00 4.32 O ATOM 1471 OE2 GLU A 92 25.118 8.383 -21.592 1.00 0.10 O ATOM 0 H GLU A 92 21.534 6.750 -17.522 1.00 23.41 H new ATOM 0 HA GLU A 92 24.468 7.025 -17.715 1.00 41.35 H new ATOM 0 HB2 GLU A 92 22.126 8.833 -18.396 1.00 12.30 H new ATOM 0 HB3 GLU A 92 23.766 9.441 -18.283 1.00 12.30 H new ATOM 0 HG2 GLU A 92 23.204 7.063 -20.040 1.00 64.42 H new ATOM 0 HG3 GLU A 92 22.756 8.663 -20.598 1.00 64.42 H new ATOM 1478 N LYS A 93 24.824 8.289 -15.608 1.00 32.54 N ATOM 1479 CA LYS A 93 25.054 8.874 -14.292 1.00 60.21 C ATOM 1480 C LYS A 93 25.040 10.398 -14.364 1.00 52.22 C ATOM 1481 O LYS A 93 25.729 10.997 -15.191 1.00 15.24 O ATOM 1482 CB LYS A 93 26.391 8.393 -13.724 1.00 5.24 C ATOM 1483 CG LYS A 93 26.250 7.575 -12.451 1.00 73.51 C ATOM 1484 CD LYS A 93 27.566 6.926 -12.057 1.00 14.21 C ATOM 1485 CE LYS A 93 27.382 5.454 -11.717 1.00 62.43 C ATOM 1486 NZ LYS A 93 27.543 4.584 -12.914 1.00 22.01 N ATOM 0 H LYS A 93 25.675 8.054 -16.119 1.00 32.54 H new ATOM 0 HA LYS A 93 24.248 8.551 -13.633 1.00 60.21 H new ATOM 0 HB2 LYS A 93 26.902 7.793 -14.477 1.00 5.24 H new ATOM 0 HB3 LYS A 93 27.023 9.258 -13.523 1.00 5.24 H new ATOM 0 HG2 LYS A 93 25.903 8.217 -11.641 1.00 73.51 H new ATOM 0 HG3 LYS A 93 25.492 6.805 -12.594 1.00 73.51 H new ATOM 0 HD2 LYS A 93 28.281 7.025 -12.874 1.00 14.21 H new ATOM 0 HD3 LYS A 93 27.988 7.449 -11.199 1.00 14.21 H new ATOM 0 HE2 LYS A 93 28.107 5.164 -10.957 1.00 62.43 H new ATOM 0 HE3 LYS A 93 26.392 5.301 -11.288 1.00 62.43 H new ATOM 0 HZ1 LYS A 93 27.410 3.589 -12.641 1.00 22.01 H new ATOM 0 HZ2 LYS A 93 26.835 4.844 -13.630 1.00 22.01 H new ATOM 0 HZ3 LYS A 93 28.497 4.710 -13.309 1.00 22.01 H new ATOM 1500 N VAL A 94 24.252 11.020 -13.493 1.00 71.32 N ATOM 1501 CA VAL A 94 24.150 12.474 -13.457 1.00 52.33 C ATOM 1502 C VAL A 94 24.104 12.987 -12.022 1.00 43.51 C ATOM 1503 O VAL A 94 23.518 12.353 -11.143 1.00 51.43 O ATOM 1504 CB VAL A 94 22.899 12.969 -14.208 1.00 40.23 C ATOM 1505 CG1 VAL A 94 23.053 12.747 -15.705 1.00 45.13 C ATOM 1506 CG2 VAL A 94 21.653 12.272 -13.682 1.00 62.31 C ATOM 0 H VAL A 94 23.675 10.540 -12.803 1.00 71.32 H new ATOM 0 HA VAL A 94 25.039 12.865 -13.951 1.00 52.33 H new ATOM 0 HB VAL A 94 22.790 14.039 -14.033 1.00 40.23 H new ATOM 0 HG11 VAL A 94 22.160 13.102 -16.219 1.00 45.13 H new ATOM 0 HG12 VAL A 94 23.923 13.296 -16.067 1.00 45.13 H new ATOM 0 HG13 VAL A 94 23.187 11.684 -15.903 1.00 45.13 H new ATOM 0 HG21 VAL A 94 20.778 12.633 -14.223 1.00 62.31 H new ATOM 0 HG22 VAL A 94 21.750 11.196 -13.826 1.00 62.31 H new ATOM 0 HG23 VAL A 94 21.537 12.487 -12.620 1.00 62.31 H new ATOM 1516 N LYS A 95 24.724 14.138 -11.789 1.00 51.25 N ATOM 1517 CA LYS A 95 24.754 14.737 -10.462 1.00 25.43 C ATOM 1518 C LYS A 95 23.558 15.662 -10.256 1.00 22.02 C ATOM 1519 O LYS A 95 22.936 15.662 -9.193 1.00 32.04 O ATOM 1520 CB LYS A 95 26.054 15.517 -10.260 1.00 72.21 C ATOM 1521 CG LYS A 95 27.035 14.834 -9.322 1.00 22.14 C ATOM 1522 CD LYS A 95 27.929 13.857 -10.066 1.00 0.43 C ATOM 1523 CE LYS A 95 29.340 14.400 -10.223 1.00 34.43 C ATOM 1524 NZ LYS A 95 29.960 13.975 -11.509 1.00 4.12 N ATOM 0 H LYS A 95 25.214 14.675 -12.504 1.00 51.25 H new ATOM 0 HA LYS A 95 24.702 13.933 -9.727 1.00 25.43 H new ATOM 0 HB2 LYS A 95 26.533 15.665 -11.228 1.00 72.21 H new ATOM 0 HB3 LYS A 95 25.817 16.506 -9.867 1.00 72.21 H new ATOM 0 HG2 LYS A 95 27.649 15.586 -8.826 1.00 22.14 H new ATOM 0 HG3 LYS A 95 26.487 14.306 -8.542 1.00 22.14 H new ATOM 0 HD2 LYS A 95 27.961 12.909 -9.528 1.00 0.43 H new ATOM 0 HD3 LYS A 95 27.506 13.651 -11.049 1.00 0.43 H new ATOM 0 HE2 LYS A 95 29.317 15.489 -10.173 1.00 34.43 H new ATOM 0 HE3 LYS A 95 29.956 14.056 -9.392 1.00 34.43 H new ATOM 0 HZ1 LYS A 95 30.921 14.366 -11.577 1.00 4.12 H new ATOM 0 HZ2 LYS A 95 30.005 12.937 -11.546 1.00 4.12 H new ATOM 0 HZ3 LYS A 95 29.387 14.325 -12.303 1.00 4.12 H new ATOM 1538 N ASP A 96 23.239 16.447 -11.279 1.00 52.31 N ATOM 1539 CA ASP A 96 22.116 17.373 -11.211 1.00 32.43 C ATOM 1540 C ASP A 96 21.375 17.428 -12.543 1.00 44.42 C ATOM 1541 O ASP A 96 21.798 16.821 -13.527 1.00 11.31 O ATOM 1542 CB ASP A 96 22.602 18.772 -10.827 1.00 15.00 C ATOM 1543 CG ASP A 96 23.665 19.295 -11.775 1.00 2.25 C ATOM 1544 OD1 ASP A 96 23.336 19.553 -12.951 1.00 33.55 O ATOM 1545 OD2 ASP A 96 24.826 19.447 -11.338 1.00 4.43 O ATOM 0 H ASP A 96 23.743 16.460 -12.166 1.00 52.31 H new ATOM 0 HA ASP A 96 21.427 17.013 -10.446 1.00 32.43 H new ATOM 0 HB2 ASP A 96 21.755 19.459 -10.820 1.00 15.00 H new ATOM 0 HB3 ASP A 96 23.002 18.749 -9.813 1.00 15.00 H new ATOM 1550 N THR A 97 20.264 18.159 -12.568 1.00 41.40 N ATOM 1551 CA THR A 97 19.463 18.290 -13.778 1.00 22.02 C ATOM 1552 C THR A 97 20.291 18.853 -14.928 1.00 25.23 C ATOM 1553 O THR A 97 20.332 18.277 -16.014 1.00 33.41 O ATOM 1554 CB THR A 97 18.241 19.200 -13.547 1.00 11.44 C ATOM 1555 OG1 THR A 97 17.511 18.756 -12.397 1.00 35.42 O ATOM 1556 CG2 THR A 97 17.328 19.201 -14.763 1.00 50.24 C ATOM 0 H THR A 97 19.899 18.669 -11.763 1.00 41.40 H new ATOM 0 HA THR A 97 19.118 17.289 -14.038 1.00 22.02 H new ATOM 0 HB THR A 97 18.599 20.216 -13.381 1.00 11.44 H new ATOM 0 HG1 THR A 97 16.618 18.458 -12.671 1.00 35.42 H new ATOM 0 HG21 THR A 97 16.473 19.850 -14.575 1.00 50.24 H new ATOM 0 HG22 THR A 97 17.878 19.566 -15.630 1.00 50.24 H new ATOM 0 HG23 THR A 97 16.978 18.187 -14.956 1.00 50.24 H new ATOM 1564 N GLU A 98 20.948 19.982 -14.680 1.00 13.24 N ATOM 1565 CA GLU A 98 21.775 20.622 -15.696 1.00 52.42 C ATOM 1566 C GLU A 98 22.739 19.619 -16.324 1.00 34.01 C ATOM 1567 O GLU A 98 23.082 19.724 -17.501 1.00 31.34 O ATOM 1568 CB GLU A 98 22.558 21.787 -15.088 1.00 21.11 C ATOM 1569 CG GLU A 98 21.707 23.016 -14.814 1.00 45.13 C ATOM 1570 CD GLU A 98 22.408 24.307 -15.186 1.00 74.41 C ATOM 1571 OE1 GLU A 98 22.516 24.595 -16.397 1.00 52.13 O ATOM 1572 OE2 GLU A 98 22.849 25.030 -14.269 1.00 22.25 O ATOM 0 H GLU A 98 20.924 20.472 -13.785 1.00 13.24 H new ATOM 0 HA GLU A 98 21.117 21.004 -16.476 1.00 52.42 H new ATOM 0 HB2 GLU A 98 23.017 21.458 -14.156 1.00 21.11 H new ATOM 0 HB3 GLU A 98 23.369 22.060 -15.763 1.00 21.11 H new ATOM 0 HG2 GLU A 98 20.775 22.939 -15.373 1.00 45.13 H new ATOM 0 HG3 GLU A 98 21.443 23.042 -13.757 1.00 45.13 H new ATOM 1579 N GLY A 99 23.174 18.647 -15.527 1.00 13.21 N ATOM 1580 CA GLY A 99 24.095 17.640 -16.021 1.00 31.42 C ATOM 1581 C GLY A 99 23.411 16.606 -16.894 1.00 23.34 C ATOM 1582 O GLY A 99 23.968 16.165 -17.898 1.00 0.52 O ATOM 0 H GLY A 99 22.905 18.539 -14.549 1.00 13.21 H new ATOM 0 HA2 GLY A 99 24.887 18.125 -16.591 1.00 31.42 H new ATOM 0 HA3 GLY A 99 24.570 17.141 -15.176 1.00 31.42 H new ATOM 1586 N ALA A 100 22.200 16.219 -16.509 1.00 3.53 N ATOM 1587 CA ALA A 100 21.439 15.230 -17.263 1.00 63.32 C ATOM 1588 C ALA A 100 20.934 15.813 -18.579 1.00 31.55 C ATOM 1589 O ALA A 100 20.685 15.084 -19.539 1.00 23.42 O ATOM 1590 CB ALA A 100 20.273 14.714 -16.432 1.00 40.44 C ATOM 0 H ALA A 100 21.725 16.575 -15.680 1.00 3.53 H new ATOM 0 HA ALA A 100 22.103 14.397 -17.494 1.00 63.32 H new ATOM 0 HB1 ALA A 100 19.714 13.976 -17.008 1.00 40.44 H new ATOM 0 HB2 ALA A 100 20.652 14.251 -15.521 1.00 40.44 H new ATOM 0 HB3 ALA A 100 19.617 15.544 -16.171 1.00 40.44 H new ATOM 1596 N LYS A 101 20.785 17.134 -18.618 1.00 12.24 N ATOM 1597 CA LYS A 101 20.311 17.816 -19.815 1.00 22.22 C ATOM 1598 C LYS A 101 21.375 17.799 -20.908 1.00 41.23 C ATOM 1599 O LYS A 101 21.095 17.443 -22.053 1.00 33.43 O ATOM 1600 CB LYS A 101 19.927 19.261 -19.486 1.00 43.41 C ATOM 1601 CG LYS A 101 18.428 19.481 -19.373 1.00 12.54 C ATOM 1602 CD LYS A 101 18.091 20.954 -19.216 1.00 42.13 C ATOM 1603 CE LYS A 101 16.599 21.166 -19.011 1.00 52.02 C ATOM 1604 NZ LYS A 101 16.321 22.332 -18.129 1.00 22.12 N ATOM 0 H LYS A 101 20.986 17.753 -17.833 1.00 12.24 H new ATOM 0 HA LYS A 101 19.431 17.286 -20.180 1.00 22.22 H new ATOM 0 HB2 LYS A 101 20.400 19.549 -18.547 1.00 43.41 H new ATOM 0 HB3 LYS A 101 20.325 19.919 -20.258 1.00 43.41 H new ATOM 0 HG2 LYS A 101 17.933 19.086 -20.261 1.00 12.54 H new ATOM 0 HG3 LYS A 101 18.041 18.925 -18.519 1.00 12.54 H new ATOM 0 HD2 LYS A 101 18.638 21.365 -18.367 1.00 42.13 H new ATOM 0 HD3 LYS A 101 18.419 21.500 -20.101 1.00 42.13 H new ATOM 0 HE2 LYS A 101 16.118 21.318 -19.977 1.00 52.02 H new ATOM 0 HE3 LYS A 101 16.161 20.268 -18.575 1.00 52.02 H new ATOM 0 HZ1 LYS A 101 15.293 22.443 -18.014 1.00 22.12 H new ATOM 0 HZ2 LYS A 101 16.759 22.176 -17.199 1.00 22.12 H new ATOM 0 HZ3 LYS A 101 16.716 23.193 -18.557 1.00 22.12 H new ATOM 1618 N GLN A 102 22.595 18.183 -20.547 1.00 11.33 N ATOM 1619 CA GLN A 102 23.700 18.210 -21.498 1.00 30.33 C ATOM 1620 C GLN A 102 23.909 16.837 -22.128 1.00 1.12 C ATOM 1621 O GLN A 102 24.268 16.730 -23.301 1.00 30.33 O ATOM 1622 CB GLN A 102 24.984 18.669 -20.806 1.00 11.35 C ATOM 1623 CG GLN A 102 26.182 18.746 -21.738 1.00 55.32 C ATOM 1624 CD GLN A 102 27.198 19.782 -21.298 1.00 33.22 C ATOM 1625 OE1 GLN A 102 27.336 20.068 -20.108 1.00 42.41 O ATOM 1626 NE2 GLN A 102 27.917 20.352 -22.257 1.00 53.14 N ATOM 0 H GLN A 102 22.843 18.480 -19.603 1.00 11.33 H new ATOM 0 HA GLN A 102 23.450 18.917 -22.289 1.00 30.33 H new ATOM 0 HB2 GLN A 102 24.817 19.650 -20.361 1.00 11.35 H new ATOM 0 HB3 GLN A 102 25.212 17.983 -19.990 1.00 11.35 H new ATOM 0 HG2 GLN A 102 26.663 17.769 -21.787 1.00 55.32 H new ATOM 0 HG3 GLN A 102 25.839 18.983 -22.745 1.00 55.32 H new ATOM 0 HE21 GLN A 102 27.771 20.086 -23.231 1.00 53.14 H new ATOM 0 HE22 GLN A 102 28.616 21.056 -22.020 1.00 53.14 H new ATOM 1635 N ILE A 103 23.684 15.790 -21.342 1.00 62.42 N ATOM 1636 CA ILE A 103 23.847 14.425 -21.824 1.00 0.22 C ATOM 1637 C ILE A 103 22.771 14.069 -22.843 1.00 41.43 C ATOM 1638 O ILE A 103 23.039 13.390 -23.834 1.00 42.22 O ATOM 1639 CB ILE A 103 23.799 13.409 -20.666 1.00 62.43 C ATOM 1640 CG1 ILE A 103 24.925 13.686 -19.668 1.00 64.33 C ATOM 1641 CG2 ILE A 103 23.896 11.989 -21.203 1.00 33.34 C ATOM 1642 CD1 ILE A 103 24.797 12.903 -18.381 1.00 13.52 C ATOM 0 H ILE A 103 23.388 15.861 -20.368 1.00 62.42 H new ATOM 0 HA ILE A 103 24.826 14.374 -22.301 1.00 0.22 H new ATOM 0 HB ILE A 103 22.846 13.516 -20.148 1.00 62.43 H new ATOM 0 HG12 ILE A 103 25.881 13.448 -20.135 1.00 64.33 H new ATOM 0 HG13 ILE A 103 24.940 14.751 -19.436 1.00 64.33 H new ATOM 0 HG21 ILE A 103 23.861 11.283 -20.373 1.00 33.34 H new ATOM 0 HG22 ILE A 103 23.062 11.798 -21.878 1.00 33.34 H new ATOM 0 HG23 ILE A 103 24.835 11.868 -21.743 1.00 33.34 H new ATOM 0 HD11 ILE A 103 25.629 13.149 -17.721 1.00 13.52 H new ATOM 0 HD12 ILE A 103 23.857 13.159 -17.891 1.00 13.52 H new ATOM 0 HD13 ILE A 103 24.812 11.836 -18.601 1.00 13.52 H new ATOM 1654 N VAL A 104 21.551 14.533 -22.594 1.00 24.14 N ATOM 1655 CA VAL A 104 20.432 14.266 -23.491 1.00 32.30 C ATOM 1656 C VAL A 104 20.654 14.915 -24.853 1.00 3.15 C ATOM 1657 O VAL A 104 20.557 14.257 -25.889 1.00 11.23 O ATOM 1658 CB VAL A 104 19.104 14.777 -22.900 1.00 73.45 C ATOM 1659 CG1 VAL A 104 17.995 14.703 -23.938 1.00 22.20 C ATOM 1660 CG2 VAL A 104 18.736 13.985 -21.655 1.00 50.14 C ATOM 0 H VAL A 104 21.312 15.096 -21.778 1.00 24.14 H new ATOM 0 HA VAL A 104 20.374 13.184 -23.612 1.00 32.30 H new ATOM 0 HB VAL A 104 19.231 15.821 -22.613 1.00 73.45 H new ATOM 0 HG11 VAL A 104 17.065 15.068 -23.503 1.00 22.20 H new ATOM 0 HG12 VAL A 104 18.260 15.319 -24.798 1.00 22.20 H new ATOM 0 HG13 VAL A 104 17.865 13.669 -24.258 1.00 22.20 H new ATOM 0 HG21 VAL A 104 17.795 14.359 -21.251 1.00 50.14 H new ATOM 0 HG22 VAL A 104 18.627 12.932 -21.913 1.00 50.14 H new ATOM 0 HG23 VAL A 104 19.522 14.096 -20.908 1.00 50.14 H new ATOM 1670 N ARG A 105 20.953 16.211 -24.843 1.00 4.45 N ATOM 1671 CA ARG A 105 21.188 16.949 -26.077 1.00 65.04 C ATOM 1672 C ARG A 105 22.396 16.391 -26.823 1.00 71.13 C ATOM 1673 O ARG A 105 22.362 16.224 -28.043 1.00 51.13 O ATOM 1674 CB ARG A 105 21.401 18.433 -25.776 1.00 34.33 C ATOM 1675 CG ARG A 105 21.430 19.309 -27.018 1.00 31.32 C ATOM 1676 CD ARG A 105 21.722 20.761 -26.669 1.00 32.24 C ATOM 1677 NE ARG A 105 20.871 21.245 -25.585 1.00 14.11 N ATOM 1678 CZ ARG A 105 21.068 22.398 -24.955 1.00 14.22 C ATOM 1679 NH1 ARG A 105 22.081 23.181 -25.299 1.00 13.22 N ATOM 1680 NH2 ARG A 105 20.250 22.770 -23.979 1.00 13.04 N ATOM 0 H ARG A 105 21.038 16.770 -23.994 1.00 4.45 H new ATOM 0 HA ARG A 105 20.308 16.837 -26.711 1.00 65.04 H new ATOM 0 HB2 ARG A 105 20.605 18.779 -25.116 1.00 34.33 H new ATOM 0 HB3 ARG A 105 22.339 18.554 -25.234 1.00 34.33 H new ATOM 0 HG2 ARG A 105 22.189 18.940 -27.708 1.00 31.32 H new ATOM 0 HG3 ARG A 105 20.472 19.243 -27.534 1.00 31.32 H new ATOM 0 HD2 ARG A 105 22.768 20.861 -26.381 1.00 32.24 H new ATOM 0 HD3 ARG A 105 21.574 21.383 -27.552 1.00 32.24 H new ATOM 0 HE ARG A 105 20.082 20.666 -25.296 1.00 14.11 H new ATOM 0 HH11 ARG A 105 22.712 22.899 -26.049 1.00 13.22 H new ATOM 0 HH12 ARG A 105 22.230 24.066 -24.813 1.00 13.22 H new ATOM 0 HH21 ARG A 105 19.469 22.171 -23.712 1.00 13.04 H new ATOM 0 HH22 ARG A 105 20.402 23.655 -23.496 1.00 13.04 H new ATOM 1694 N ARG A 106 23.462 16.106 -26.083 1.00 63.43 N ATOM 1695 CA ARG A 106 24.681 15.569 -26.675 1.00 33.34 C ATOM 1696 C ARG A 106 24.376 14.345 -27.534 1.00 63.50 C ATOM 1697 O ARG A 106 24.905 14.199 -28.636 1.00 34.04 O ATOM 1698 CB ARG A 106 25.684 15.199 -25.580 1.00 52.03 C ATOM 1699 CG ARG A 106 27.002 14.664 -26.117 1.00 62.25 C ATOM 1700 CD ARG A 106 28.191 15.342 -25.454 1.00 65.53 C ATOM 1701 NE ARG A 106 28.383 16.706 -25.941 1.00 52.44 N ATOM 1702 CZ ARG A 106 29.403 17.477 -25.582 1.00 33.44 C ATOM 1703 NH1 ARG A 106 30.318 17.022 -24.736 1.00 24.11 N ATOM 1704 NH2 ARG A 106 29.511 18.707 -26.069 1.00 31.14 N ATOM 0 H ARG A 106 23.506 16.238 -25.073 1.00 63.43 H new ATOM 0 HA ARG A 106 25.115 16.339 -27.312 1.00 33.34 H new ATOM 0 HB2 ARG A 106 25.881 16.079 -24.967 1.00 52.03 H new ATOM 0 HB3 ARG A 106 25.236 14.450 -24.927 1.00 52.03 H new ATOM 0 HG2 ARG A 106 27.055 13.588 -25.949 1.00 62.25 H new ATOM 0 HG3 ARG A 106 27.047 14.820 -27.195 1.00 62.25 H new ATOM 0 HD2 ARG A 106 28.043 15.360 -24.374 1.00 65.53 H new ATOM 0 HD3 ARG A 106 29.093 14.759 -25.643 1.00 65.53 H new ATOM 0 HE ARG A 106 27.696 17.087 -26.592 1.00 52.44 H new ATOM 0 HH11 ARG A 106 30.239 16.077 -24.359 1.00 24.11 H new ATOM 0 HH12 ARG A 106 31.100 17.617 -24.462 1.00 24.11 H new ATOM 0 HH21 ARG A 106 28.810 19.061 -26.720 1.00 31.14 H new ATOM 0 HH22 ARG A 106 30.295 19.298 -25.792 1.00 31.14 H new ATOM 1718 N HIS A 107 23.518 13.469 -27.022 1.00 12.44 N ATOM 1719 CA HIS A 107 23.141 12.257 -27.742 1.00 3.20 C ATOM 1720 C HIS A 107 22.274 12.593 -28.952 1.00 25.23 C ATOM 1721 O HIS A 107 22.205 11.753 -29.851 1.00 31.04 O ATOM 1722 CB HIS A 107 22.393 11.298 -26.814 1.00 72.32 C ATOM 1723 CG HIS A 107 23.293 10.515 -25.910 1.00 35.32 C ATOM 1724 ND1 HIS A 107 24.526 10.037 -26.303 1.00 63.33 N ATOM 1725 CD2 HIS A 107 23.137 10.127 -24.623 1.00 23.40 C ATOM 1726 CE1 HIS A 107 25.086 9.390 -25.298 1.00 50.52 C ATOM 1727 NE2 HIS A 107 24.264 9.431 -24.266 1.00 24.00 N ATOM 0 H HIS A 107 23.070 13.575 -26.112 1.00 12.44 H new ATOM 0 HA HIS A 107 24.053 11.773 -28.093 1.00 3.20 H new ATOM 0 HB2 HIS A 107 21.689 11.868 -26.207 1.00 72.32 H new ATOM 0 HB3 HIS A 107 21.806 10.605 -27.417 1.00 72.32 H new ATOM 0 HD2 HIS A 107 22.283 10.328 -23.993 1.00 23.40 H new ATOM 0 HE1 HIS A 107 26.053 8.909 -25.317 1.00 50.52 H new ATOM 0 HE2 HIS A 107 24.438 9.013 -23.352 1.00 24.00 H new ATOM 1735 N LEU A 108 21.633 13.756 -28.999 1.00 51.50 N ATOM 1736 CA LEU A 108 20.793 14.120 -30.134 1.00 65.44 C ATOM 1737 C LEU A 108 21.612 14.819 -31.215 1.00 4.11 C ATOM 1738 O LEU A 108 21.394 14.606 -32.407 1.00 73.35 O ATOM 1739 CB LEU A 108 19.650 15.029 -29.677 1.00 34.14 C ATOM 1740 CG LEU A 108 18.696 14.437 -28.639 1.00 73.30 C ATOM 1741 CD1 LEU A 108 18.093 15.537 -27.781 1.00 25.45 C ATOM 1742 CD2 LEU A 108 17.601 13.630 -29.322 1.00 1.35 C ATOM 0 H LEU A 108 21.679 14.462 -28.265 1.00 51.50 H new ATOM 0 HA LEU A 108 20.376 13.205 -30.554 1.00 65.44 H new ATOM 0 HB2 LEU A 108 20.081 15.942 -29.266 1.00 34.14 H new ATOM 0 HB3 LEU A 108 19.069 15.317 -30.553 1.00 34.14 H new ATOM 0 HG LEU A 108 19.263 13.768 -27.991 1.00 73.30 H new ATOM 0 HD11 LEU A 108 17.417 15.097 -27.048 1.00 25.45 H new ATOM 0 HD12 LEU A 108 18.889 16.073 -27.264 1.00 25.45 H new ATOM 0 HD13 LEU A 108 17.540 16.231 -28.414 1.00 25.45 H new ATOM 0 HD21 LEU A 108 16.931 13.216 -28.569 1.00 1.35 H new ATOM 0 HD22 LEU A 108 17.037 14.277 -29.993 1.00 1.35 H new ATOM 0 HD23 LEU A 108 18.050 12.818 -29.894 1.00 1.35 H new