USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 553 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 54 GLN : amide:sc= 0.562 K(o=-1,f=-8.7!) USER MOD Set 1.2: A 80 GLN : amide:sc= -1.6! X(o=-1!,f=-1.3) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 142:sc= -0.299 (180deg=-3.51!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= -1.83! (180deg=-2.32!) USER MOD Single : A 31 SER OG : rot 142:sc= -2.26 USER MOD Single : A 36 LYS NZ :NH3+ -130:sc= 0.427 (180deg=-1.71!) USER MOD Single : A 37 LYS NZ :NH3+ 147:sc= -4.53! (180deg=-5.45!) USER MOD Single : A 41 GLN : amide:sc= -0.64 K(o=-0.64,f=-1.6) USER MOD Single : A 43 LYS NZ :NH3+ -115:sc= -10.1! (180deg=-15!) USER MOD Single : A 47 GLN : amide:sc= -3.47! C(o=-3.5!,f=-12!) USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0429) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.0236 F(o=-1.3,f=-0.024) USER MOD Single : A 60 TYR OH : rot 90:sc= 1.06 USER MOD Single : A 63 TYR OH : rot 130:sc= -0.444 USER MOD Single : A 74 LYS NZ :NH3+ 154:sc= -0.0675 (180deg=-0.676) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.08 F(o=-4.2!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 20 3.592 -3.029 0.979 1.00 0.61 N ATOM 2 CA MET A 20 4.940 -3.057 0.324 1.00 0.41 C ATOM 3 C MET A 20 5.370 -1.592 0.194 1.00 0.30 C ATOM 4 O MET A 20 4.625 -0.740 0.639 1.00 0.23 O ATOM 5 CB MET A 20 4.847 -3.704 -1.088 1.00 0.21 C ATOM 6 CG MET A 20 4.222 -5.124 -1.030 1.00 0.41 C ATOM 7 SD MET A 20 2.528 -5.284 -0.409 1.00 0.87 S ATOM 8 CE MET A 20 1.642 -4.724 -1.887 1.00 1.45 C ATOM 0 HA MET A 20 5.651 -3.643 0.906 1.00 0.41 H new ATOM 0 HB2 MET A 20 4.247 -3.069 -1.740 1.00 0.21 H new ATOM 0 HB3 MET A 20 5.843 -3.763 -1.528 1.00 0.21 H new ATOM 0 HG2 MET A 20 4.249 -5.542 -2.036 1.00 0.41 H new ATOM 0 HG3 MET A 20 4.865 -5.747 -0.409 1.00 0.41 H new ATOM 0 HE1 MET A 20 0.569 -4.752 -1.700 1.00 1.45 H new ATOM 0 HE2 MET A 20 1.942 -3.704 -2.127 1.00 1.45 H new ATOM 0 HE3 MET A 20 1.881 -5.379 -2.725 1.00 1.45 H new ATOM 20 N LYS A 21 6.503 -1.323 -0.393 1.00 0.30 N ATOM 21 CA LYS A 21 6.959 0.096 -0.540 1.00 0.25 C ATOM 22 C LYS A 21 6.780 0.601 -1.961 1.00 0.28 C ATOM 23 O LYS A 21 6.821 -0.109 -2.943 1.00 0.40 O ATOM 24 CB LYS A 21 8.416 0.133 -0.142 1.00 0.40 C ATOM 25 CG LYS A 21 8.755 1.402 0.599 1.00 0.43 C ATOM 26 CD LYS A 21 10.183 1.253 1.190 1.00 0.36 C ATOM 27 CE LYS A 21 11.252 0.970 0.124 1.00 1.10 C ATOM 28 NZ LYS A 21 11.471 -0.503 -0.101 1.00 0.72 N ATOM 0 H LYS A 21 7.137 -2.023 -0.779 1.00 0.30 H new ATOM 0 HA LYS A 21 6.360 0.749 0.095 1.00 0.25 H new ATOM 0 HB2 LYS A 21 8.645 -0.728 0.486 1.00 0.40 H new ATOM 0 HB3 LYS A 21 9.040 0.053 -1.032 1.00 0.40 H new ATOM 0 HG2 LYS A 21 8.710 2.258 -0.074 1.00 0.43 H new ATOM 0 HG3 LYS A 21 8.032 1.583 1.394 1.00 0.43 H new ATOM 0 HD2 LYS A 21 10.445 2.166 1.725 1.00 0.36 H new ATOM 0 HD3 LYS A 21 10.184 0.444 1.921 1.00 0.36 H new ATOM 0 HE2 LYS A 21 10.956 1.437 -0.815 1.00 1.10 H new ATOM 0 HE3 LYS A 21 12.192 1.431 0.426 1.00 1.10 H new ATOM 0 HZ1 LYS A 21 11.631 -0.679 -1.113 1.00 0.72 H new ATOM 0 HZ2 LYS A 21 12.301 -0.817 0.441 1.00 0.72 H new ATOM 0 HZ3 LYS A 21 10.632 -1.031 0.214 1.00 0.72 H new ATOM 42 N THR A 22 6.574 1.876 -1.950 1.00 0.23 N ATOM 43 CA THR A 22 6.357 2.718 -3.160 1.00 0.35 C ATOM 44 C THR A 22 7.404 3.797 -3.269 1.00 0.36 C ATOM 45 O THR A 22 7.609 4.361 -4.326 1.00 0.54 O ATOM 46 CB THR A 22 5.024 3.355 -3.052 1.00 0.38 C ATOM 47 OG1 THR A 22 5.050 3.785 -1.696 1.00 0.35 O ATOM 48 CG2 THR A 22 3.954 2.306 -3.035 1.00 0.38 C ATOM 0 H THR A 22 6.544 2.414 -1.084 1.00 0.23 H new ATOM 0 HA THR A 22 6.422 2.085 -4.045 1.00 0.35 H new ATOM 0 HB THR A 22 4.844 4.086 -3.840 1.00 0.38 H new ATOM 0 HG1 THR A 22 4.208 4.237 -1.480 1.00 0.35 H new ATOM 0 HG21 THR A 22 2.977 2.784 -2.955 1.00 0.38 H new ATOM 0 HG22 THR A 22 4.000 1.725 -3.956 1.00 0.38 H new ATOM 0 HG23 THR A 22 4.106 1.646 -2.181 1.00 0.38 H new ATOM 56 N GLU A 23 8.022 4.076 -2.159 1.00 0.16 N ATOM 57 CA GLU A 23 9.085 5.126 -2.178 1.00 0.18 C ATOM 58 C GLU A 23 10.330 4.467 -1.610 1.00 0.12 C ATOM 59 O GLU A 23 10.216 3.703 -0.673 1.00 0.09 O ATOM 60 CB GLU A 23 8.759 6.331 -1.259 1.00 0.18 C ATOM 61 CG GLU A 23 7.444 7.097 -1.609 1.00 0.25 C ATOM 62 CD GLU A 23 7.332 8.452 -0.883 1.00 0.29 C ATOM 63 OE1 GLU A 23 8.372 8.937 -0.455 1.00 1.18 O ATOM 64 OE2 GLU A 23 6.221 8.936 -0.820 1.00 1.17 O ATOM 0 H GLU A 23 7.846 3.636 -1.256 1.00 0.16 H new ATOM 0 HA GLU A 23 9.191 5.499 -3.197 1.00 0.18 H new ATOM 0 HB2 GLU A 23 8.691 5.975 -0.231 1.00 0.18 H new ATOM 0 HB3 GLU A 23 9.591 7.034 -1.299 1.00 0.18 H new ATOM 0 HG2 GLU A 23 7.400 7.262 -2.686 1.00 0.25 H new ATOM 0 HG3 GLU A 23 6.587 6.477 -1.346 1.00 0.25 H new ATOM 71 N TRP A 24 11.475 4.763 -2.155 1.00 0.22 N ATOM 72 CA TRP A 24 12.694 4.107 -1.578 1.00 0.18 C ATOM 73 C TRP A 24 13.699 5.051 -0.916 1.00 0.26 C ATOM 74 O TRP A 24 14.799 5.241 -1.401 1.00 0.37 O ATOM 75 CB TRP A 24 13.352 3.297 -2.711 1.00 0.18 C ATOM 76 CG TRP A 24 12.506 2.063 -2.998 1.00 0.22 C ATOM 77 CD1 TRP A 24 12.773 0.841 -2.478 1.00 0.28 C ATOM 78 CD2 TRP A 24 11.374 2.007 -3.738 1.00 0.25 C ATOM 79 NE1 TRP A 24 11.774 0.118 -2.936 1.00 0.33 N ATOM 80 CE2 TRP A 24 10.892 0.730 -3.686 1.00 0.31 C ATOM 81 CE3 TRP A 24 10.679 2.938 -4.477 1.00 0.25 C ATOM 82 CZ2 TRP A 24 9.744 0.370 -4.326 1.00 0.37 C ATOM 83 CZ3 TRP A 24 9.512 2.578 -5.138 1.00 0.32 C ATOM 84 CH2 TRP A 24 9.048 1.295 -5.049 1.00 0.38 C ATOM 0 H TRP A 24 11.625 5.399 -2.938 1.00 0.22 H new ATOM 0 HA TRP A 24 12.368 3.473 -0.753 1.00 0.18 H new ATOM 0 HB2 TRP A 24 13.441 3.909 -3.608 1.00 0.18 H new ATOM 0 HB3 TRP A 24 14.362 3.002 -2.425 1.00 0.18 H new ATOM 0 HD1 TRP A 24 13.596 0.538 -1.848 1.00 0.28 H new ATOM 0 HE1 TRP A 24 11.690 -0.875 -2.717 1.00 0.33 H new ATOM 0 HE3 TRP A 24 11.043 3.953 -4.543 1.00 0.25 H new ATOM 0 HZ2 TRP A 24 9.385 -0.647 -4.261 1.00 0.37 H new ATOM 0 HZ3 TRP A 24 8.972 3.310 -5.721 1.00 0.32 H new ATOM 0 HH2 TRP A 24 8.133 1.014 -5.550 1.00 0.38 H new ATOM 95 N PRO A 25 13.323 5.623 0.212 1.00 0.25 N ATOM 96 CA PRO A 25 14.323 6.373 1.026 1.00 0.29 C ATOM 97 C PRO A 25 15.459 5.376 1.277 1.00 0.28 C ATOM 98 O PRO A 25 16.612 5.657 1.054 1.00 0.30 O ATOM 99 CB PRO A 25 13.500 6.841 2.255 1.00 0.36 C ATOM 100 CG PRO A 25 12.301 5.864 2.318 1.00 0.26 C ATOM 101 CD PRO A 25 11.970 5.597 0.840 1.00 0.21 C ATOM 0 HA PRO A 25 14.799 7.256 0.601 1.00 0.29 H new ATOM 0 HB2 PRO A 25 14.093 6.800 3.168 1.00 0.36 H new ATOM 0 HB3 PRO A 25 13.166 7.872 2.139 1.00 0.36 H new ATOM 0 HG2 PRO A 25 12.561 4.945 2.843 1.00 0.26 H new ATOM 0 HG3 PRO A 25 11.454 6.303 2.845 1.00 0.26 H new ATOM 0 HD2 PRO A 25 11.473 4.637 0.700 1.00 0.21 H new ATOM 0 HD3 PRO A 25 11.312 6.360 0.424 1.00 0.21 H new ATOM 109 N GLU A 26 15.034 4.233 1.721 1.00 0.27 N ATOM 110 CA GLU A 26 15.900 3.057 2.044 1.00 0.27 C ATOM 111 C GLU A 26 17.073 2.869 1.030 1.00 0.28 C ATOM 112 O GLU A 26 18.147 2.405 1.371 1.00 0.33 O ATOM 113 CB GLU A 26 14.920 1.851 2.095 1.00 0.29 C ATOM 114 CG GLU A 26 15.639 0.552 2.578 1.00 0.64 C ATOM 115 CD GLU A 26 16.509 -0.131 1.527 1.00 2.36 C ATOM 116 OE1 GLU A 26 16.451 0.199 0.357 1.00 3.30 O ATOM 117 OE2 GLU A 26 17.245 -1.000 1.944 1.00 3.17 O ATOM 0 H GLU A 26 14.044 4.050 1.887 1.00 0.27 H new ATOM 0 HA GLU A 26 16.422 3.182 2.993 1.00 0.27 H new ATOM 0 HB2 GLU A 26 14.092 2.081 2.766 1.00 0.29 H new ATOM 0 HB3 GLU A 26 14.492 1.686 1.106 1.00 0.29 H new ATOM 0 HG2 GLU A 26 16.261 0.797 3.439 1.00 0.64 H new ATOM 0 HG3 GLU A 26 14.885 -0.157 2.921 1.00 0.64 H new ATOM 124 N LEU A 27 16.841 3.247 -0.203 1.00 0.25 N ATOM 125 CA LEU A 27 17.857 3.130 -1.299 1.00 0.25 C ATOM 126 C LEU A 27 18.752 4.339 -1.560 1.00 0.19 C ATOM 127 O LEU A 27 19.761 4.198 -2.232 1.00 0.18 O ATOM 128 CB LEU A 27 17.127 2.810 -2.602 1.00 0.40 C ATOM 129 CG LEU A 27 16.474 1.439 -2.581 1.00 0.31 C ATOM 130 CD1 LEU A 27 15.680 1.240 -3.877 1.00 0.87 C ATOM 131 CD2 LEU A 27 17.615 0.428 -2.546 1.00 0.82 C ATOM 0 H LEU A 27 15.954 3.648 -0.507 1.00 0.25 H new ATOM 0 HA LEU A 27 18.532 2.347 -0.952 1.00 0.25 H new ATOM 0 HB2 LEU A 27 16.366 3.569 -2.784 1.00 0.40 H new ATOM 0 HB3 LEU A 27 17.832 2.860 -3.432 1.00 0.40 H new ATOM 0 HG LEU A 27 15.802 1.327 -1.730 1.00 0.31 H new ATOM 0 HD11 LEU A 27 15.209 0.257 -3.868 1.00 0.87 H new ATOM 0 HD12 LEU A 27 14.912 2.010 -3.955 1.00 0.87 H new ATOM 0 HD13 LEU A 27 16.354 1.311 -4.731 1.00 0.87 H new ATOM 0 HD21 LEU A 27 17.206 -0.582 -2.530 1.00 0.82 H new ATOM 0 HD22 LEU A 27 18.239 0.553 -3.431 1.00 0.82 H new ATOM 0 HD23 LEU A 27 18.217 0.590 -1.652 1.00 0.82 H new ATOM 143 N VAL A 28 18.424 5.492 -1.063 1.00 0.25 N ATOM 144 CA VAL A 28 19.303 6.668 -1.330 1.00 0.20 C ATOM 145 C VAL A 28 20.711 6.336 -0.811 1.00 0.25 C ATOM 146 O VAL A 28 20.870 5.891 0.311 1.00 0.36 O ATOM 147 CB VAL A 28 18.700 7.891 -0.607 1.00 0.24 C ATOM 148 CG1 VAL A 28 19.534 9.134 -0.953 1.00 0.23 C ATOM 149 CG2 VAL A 28 17.245 8.124 -1.063 1.00 0.26 C ATOM 0 H VAL A 28 17.600 5.676 -0.491 1.00 0.25 H new ATOM 0 HA VAL A 28 19.372 6.897 -2.394 1.00 0.20 H new ATOM 0 HB VAL A 28 18.711 7.709 0.468 1.00 0.24 H new ATOM 0 HG11 VAL A 28 19.117 10.005 -0.447 1.00 0.23 H new ATOM 0 HG12 VAL A 28 20.563 8.984 -0.627 1.00 0.23 H new ATOM 0 HG13 VAL A 28 19.515 9.297 -2.031 1.00 0.23 H new ATOM 0 HG21 VAL A 28 16.835 8.990 -0.543 1.00 0.26 H new ATOM 0 HG22 VAL A 28 17.225 8.303 -2.138 1.00 0.26 H new ATOM 0 HG23 VAL A 28 16.645 7.244 -0.830 1.00 0.26 H new ATOM 159 N GLY A 29 21.691 6.562 -1.640 1.00 0.18 N ATOM 160 CA GLY A 29 23.097 6.255 -1.223 1.00 0.25 C ATOM 161 C GLY A 29 23.524 4.848 -1.667 1.00 0.22 C ATOM 162 O GLY A 29 24.663 4.484 -1.454 1.00 0.19 O ATOM 0 H GLY A 29 21.586 6.942 -2.581 1.00 0.18 H new ATOM 0 HA2 GLY A 29 23.774 6.994 -1.652 1.00 0.25 H new ATOM 0 HA3 GLY A 29 23.182 6.337 -0.139 1.00 0.25 H new ATOM 166 N LYS A 30 22.638 4.082 -2.259 1.00 0.30 N ATOM 167 CA LYS A 30 23.025 2.694 -2.708 1.00 0.30 C ATOM 168 C LYS A 30 23.155 2.631 -4.261 1.00 0.28 C ATOM 169 O LYS A 30 22.883 3.631 -4.902 1.00 0.29 O ATOM 170 CB LYS A 30 21.925 1.741 -2.133 1.00 0.45 C ATOM 171 CG LYS A 30 21.727 2.050 -0.589 1.00 0.51 C ATOM 172 CD LYS A 30 21.610 0.750 0.246 1.00 0.95 C ATOM 173 CE LYS A 30 20.354 -0.093 -0.049 1.00 1.46 C ATOM 174 NZ LYS A 30 19.238 0.270 0.883 1.00 2.11 N ATOM 0 H LYS A 30 21.672 4.349 -2.452 1.00 0.30 H new ATOM 0 HA LYS A 30 24.005 2.392 -2.338 1.00 0.30 H new ATOM 0 HB2 LYS A 30 20.986 1.884 -2.669 1.00 0.45 H new ATOM 0 HB3 LYS A 30 22.218 0.701 -2.274 1.00 0.45 H new ATOM 0 HG2 LYS A 30 22.568 2.641 -0.226 1.00 0.51 H new ATOM 0 HG3 LYS A 30 20.830 2.653 -0.451 1.00 0.51 H new ATOM 0 HD2 LYS A 30 22.493 0.137 0.065 1.00 0.95 H new ATOM 0 HD3 LYS A 30 21.615 1.012 1.304 1.00 0.95 H new ATOM 0 HE2 LYS A 30 20.038 0.065 -1.080 1.00 1.46 H new ATOM 0 HE3 LYS A 30 20.589 -1.152 0.053 1.00 1.46 H new ATOM 0 HZ1 LYS A 30 18.465 -0.418 0.783 1.00 2.11 H new ATOM 0 HZ2 LYS A 30 19.587 0.259 1.863 1.00 2.11 H new ATOM 0 HZ3 LYS A 30 18.887 1.221 0.651 1.00 2.11 H new ATOM 188 N SER A 31 23.534 1.499 -4.827 1.00 0.26 N ATOM 189 CA SER A 31 23.674 1.436 -6.329 1.00 0.25 C ATOM 190 C SER A 31 22.323 1.314 -7.007 1.00 0.20 C ATOM 191 O SER A 31 21.343 0.869 -6.433 1.00 0.24 O ATOM 192 CB SER A 31 24.485 0.196 -6.830 1.00 0.19 C ATOM 193 OG SER A 31 23.644 -0.939 -6.619 1.00 0.14 O ATOM 0 H SER A 31 23.748 0.635 -4.328 1.00 0.26 H new ATOM 0 HA SER A 31 24.192 2.361 -6.582 1.00 0.25 H new ATOM 0 HB2 SER A 31 24.743 0.299 -7.884 1.00 0.19 H new ATOM 0 HB3 SER A 31 25.421 0.095 -6.281 1.00 0.19 H new ATOM 0 HG SER A 31 23.747 -1.566 -7.366 1.00 0.14 H new ATOM 199 N VAL A 32 22.300 1.724 -8.240 1.00 0.28 N ATOM 200 CA VAL A 32 21.013 1.618 -8.946 1.00 0.32 C ATOM 201 C VAL A 32 20.599 0.151 -9.194 1.00 0.37 C ATOM 202 O VAL A 32 19.515 -0.205 -8.790 1.00 0.42 O ATOM 203 CB VAL A 32 21.175 2.446 -10.220 1.00 0.36 C ATOM 204 CG1 VAL A 32 22.068 1.757 -11.293 1.00 0.40 C ATOM 205 CG2 VAL A 32 19.763 2.780 -10.659 1.00 0.31 C ATOM 0 H VAL A 32 23.083 2.111 -8.766 1.00 0.28 H new ATOM 0 HA VAL A 32 20.188 2.007 -8.350 1.00 0.32 H new ATOM 0 HB VAL A 32 21.733 3.366 -10.045 1.00 0.36 H new ATOM 0 HG11 VAL A 32 22.141 2.398 -12.171 1.00 0.40 H new ATOM 0 HG12 VAL A 32 23.064 1.587 -10.883 1.00 0.40 H new ATOM 0 HG13 VAL A 32 21.625 0.802 -11.577 1.00 0.40 H new ATOM 0 HG21 VAL A 32 19.797 3.376 -11.571 1.00 0.31 H new ATOM 0 HG22 VAL A 32 19.213 1.858 -10.848 1.00 0.31 H new ATOM 0 HG23 VAL A 32 19.262 3.347 -9.874 1.00 0.31 H new ATOM 215 N GLU A 33 21.375 -0.709 -9.809 1.00 0.36 N ATOM 216 CA GLU A 33 20.872 -2.109 -9.988 1.00 0.38 C ATOM 217 C GLU A 33 20.411 -2.679 -8.640 1.00 0.37 C ATOM 218 O GLU A 33 19.377 -3.321 -8.576 1.00 0.38 O ATOM 219 CB GLU A 33 21.988 -2.971 -10.619 1.00 0.46 C ATOM 220 CG GLU A 33 22.244 -2.494 -12.101 1.00 0.64 C ATOM 221 CD GLU A 33 20.974 -2.128 -12.890 1.00 0.72 C ATOM 222 OE1 GLU A 33 20.019 -2.880 -12.987 1.00 1.79 O ATOM 223 OE2 GLU A 33 20.994 -1.029 -13.409 1.00 0.84 O ATOM 0 H GLU A 33 22.303 -0.514 -10.184 1.00 0.36 H new ATOM 0 HA GLU A 33 20.012 -2.115 -10.657 1.00 0.38 H new ATOM 0 HB2 GLU A 33 22.904 -2.885 -10.034 1.00 0.46 H new ATOM 0 HB3 GLU A 33 21.701 -4.022 -10.608 1.00 0.46 H new ATOM 0 HG2 GLU A 33 22.904 -1.627 -12.080 1.00 0.64 H new ATOM 0 HG3 GLU A 33 22.772 -3.283 -12.636 1.00 0.64 H new ATOM 230 N GLU A 34 21.138 -2.453 -7.574 1.00 0.35 N ATOM 231 CA GLU A 34 20.647 -3.009 -6.278 1.00 0.35 C ATOM 232 C GLU A 34 19.296 -2.299 -6.027 1.00 0.34 C ATOM 233 O GLU A 34 18.295 -2.928 -5.745 1.00 0.34 O ATOM 234 CB GLU A 34 21.722 -2.702 -5.178 1.00 0.42 C ATOM 235 CG GLU A 34 23.068 -3.514 -5.471 1.00 1.88 C ATOM 236 CD GLU A 34 22.806 -4.994 -5.704 1.00 2.73 C ATOM 237 OE1 GLU A 34 22.383 -5.298 -6.809 1.00 3.91 O ATOM 238 OE2 GLU A 34 23.013 -5.778 -4.791 1.00 2.77 O ATOM 0 H GLU A 34 22.013 -1.930 -7.542 1.00 0.35 H new ATOM 0 HA GLU A 34 20.499 -4.089 -6.274 1.00 0.35 H new ATOM 0 HB2 GLU A 34 21.933 -1.633 -5.155 1.00 0.42 H new ATOM 0 HB3 GLU A 34 21.334 -2.972 -4.196 1.00 0.42 H new ATOM 0 HG2 GLU A 34 23.562 -3.092 -6.346 1.00 1.88 H new ATOM 0 HG3 GLU A 34 23.752 -3.396 -4.631 1.00 1.88 H new ATOM 245 N ALA A 35 19.262 -1.001 -6.128 1.00 0.32 N ATOM 246 CA ALA A 35 17.984 -0.273 -5.910 1.00 0.31 C ATOM 247 C ALA A 35 16.838 -0.945 -6.647 1.00 0.33 C ATOM 248 O ALA A 35 15.775 -1.161 -6.112 1.00 0.31 O ATOM 249 CB ALA A 35 18.173 1.175 -6.408 1.00 0.29 C ATOM 0 H ALA A 35 20.065 -0.413 -6.352 1.00 0.32 H new ATOM 0 HA ALA A 35 17.731 -0.280 -4.850 1.00 0.31 H new ATOM 0 HB1 ALA A 35 17.249 1.734 -6.260 1.00 0.29 H new ATOM 0 HB2 ALA A 35 18.978 1.650 -5.848 1.00 0.29 H new ATOM 0 HB3 ALA A 35 18.425 1.165 -7.468 1.00 0.29 H new ATOM 255 N LYS A 36 17.115 -1.266 -7.871 1.00 0.37 N ATOM 256 CA LYS A 36 16.128 -1.929 -8.767 1.00 0.39 C ATOM 257 C LYS A 36 15.743 -3.231 -8.140 1.00 0.36 C ATOM 258 O LYS A 36 14.577 -3.493 -7.981 1.00 0.34 O ATOM 259 CB LYS A 36 16.759 -2.173 -10.108 1.00 0.47 C ATOM 260 CG LYS A 36 17.124 -0.857 -10.792 1.00 0.37 C ATOM 261 CD LYS A 36 17.353 -1.316 -12.210 1.00 0.63 C ATOM 262 CE LYS A 36 17.929 -0.269 -13.102 1.00 0.77 C ATOM 263 NZ LYS A 36 18.510 -1.030 -14.240 1.00 1.21 N ATOM 0 H LYS A 36 18.020 -1.091 -8.308 1.00 0.37 H new ATOM 0 HA LYS A 36 15.247 -1.302 -8.904 1.00 0.39 H new ATOM 0 HB2 LYS A 36 17.654 -2.784 -9.987 1.00 0.47 H new ATOM 0 HB3 LYS A 36 16.072 -2.736 -10.740 1.00 0.47 H new ATOM 0 HG2 LYS A 36 16.323 -0.121 -10.722 1.00 0.37 H new ATOM 0 HG3 LYS A 36 18.014 -0.401 -10.358 1.00 0.37 H new ATOM 0 HD2 LYS A 36 18.022 -2.177 -12.199 1.00 0.63 H new ATOM 0 HD3 LYS A 36 16.405 -1.654 -12.629 1.00 0.63 H new ATOM 0 HE2 LYS A 36 17.164 0.429 -13.441 1.00 0.77 H new ATOM 0 HE3 LYS A 36 18.690 0.317 -12.587 1.00 0.77 H new ATOM 0 HZ1 LYS A 36 19.488 -0.716 -14.405 1.00 1.21 H new ATOM 0 HZ2 LYS A 36 18.506 -2.046 -14.017 1.00 1.21 H new ATOM 0 HZ3 LYS A 36 17.943 -0.861 -15.096 1.00 1.21 H new ATOM 277 N LYS A 37 16.700 -4.031 -7.801 1.00 0.37 N ATOM 278 CA LYS A 37 16.387 -5.322 -7.169 1.00 0.34 C ATOM 279 C LYS A 37 15.435 -5.055 -5.991 1.00 0.26 C ATOM 280 O LYS A 37 14.442 -5.730 -5.823 1.00 0.20 O ATOM 281 CB LYS A 37 17.739 -5.910 -6.765 1.00 0.32 C ATOM 282 CG LYS A 37 18.179 -5.678 -5.313 1.00 1.43 C ATOM 283 CD LYS A 37 18.574 -7.024 -4.708 1.00 1.91 C ATOM 284 CE LYS A 37 19.685 -7.757 -5.462 1.00 0.62 C ATOM 285 NZ LYS A 37 20.748 -6.760 -5.691 1.00 1.35 N ATOM 0 H LYS A 37 17.693 -3.842 -7.937 1.00 0.37 H new ATOM 0 HA LYS A 37 15.874 -6.037 -7.813 1.00 0.34 H new ATOM 0 HB2 LYS A 37 17.712 -6.985 -6.946 1.00 0.32 H new ATOM 0 HB3 LYS A 37 18.502 -5.495 -7.423 1.00 0.32 H new ATOM 0 HG2 LYS A 37 19.020 -4.985 -5.278 1.00 1.43 H new ATOM 0 HG3 LYS A 37 17.370 -5.227 -4.739 1.00 1.43 H new ATOM 0 HD2 LYS A 37 18.895 -6.865 -3.678 1.00 1.91 H new ATOM 0 HD3 LYS A 37 17.693 -7.665 -4.672 1.00 1.91 H new ATOM 0 HE2 LYS A 37 20.060 -8.600 -4.882 1.00 0.62 H new ATOM 0 HE3 LYS A 37 19.317 -8.158 -6.406 1.00 0.62 H new ATOM 0 HZ1 LYS A 37 21.676 -7.229 -5.665 1.00 1.35 H new ATOM 0 HZ2 LYS A 37 20.611 -6.314 -6.620 1.00 1.35 H new ATOM 0 HZ3 LYS A 37 20.708 -6.033 -4.949 1.00 1.35 H new ATOM 299 N VAL A 38 15.763 -4.057 -5.216 1.00 0.26 N ATOM 300 CA VAL A 38 14.901 -3.720 -4.037 1.00 0.21 C ATOM 301 C VAL A 38 13.502 -3.358 -4.537 1.00 0.21 C ATOM 302 O VAL A 38 12.505 -3.939 -4.171 1.00 0.23 O ATOM 303 CB VAL A 38 15.598 -2.559 -3.296 1.00 0.19 C ATOM 304 CG1 VAL A 38 14.631 -1.852 -2.355 1.00 0.08 C ATOM 305 CG2 VAL A 38 16.736 -3.152 -2.455 1.00 0.32 C ATOM 0 H VAL A 38 16.582 -3.463 -5.343 1.00 0.26 H new ATOM 0 HA VAL A 38 14.779 -4.554 -3.346 1.00 0.21 H new ATOM 0 HB VAL A 38 15.966 -1.839 -4.028 1.00 0.19 H new ATOM 0 HG11 VAL A 38 15.148 -1.039 -1.846 1.00 0.08 H new ATOM 0 HG12 VAL A 38 13.795 -1.449 -2.927 1.00 0.08 H new ATOM 0 HG13 VAL A 38 14.257 -2.562 -1.617 1.00 0.08 H new ATOM 0 HG21 VAL A 38 17.247 -2.352 -1.919 1.00 0.32 H new ATOM 0 HG22 VAL A 38 16.326 -3.864 -1.739 1.00 0.32 H new ATOM 0 HG23 VAL A 38 17.444 -3.661 -3.109 1.00 0.32 H new ATOM 315 N ILE A 39 13.460 -2.386 -5.388 1.00 0.20 N ATOM 316 CA ILE A 39 12.188 -1.907 -5.983 1.00 0.22 C ATOM 317 C ILE A 39 11.421 -3.125 -6.472 1.00 0.23 C ATOM 318 O ILE A 39 10.230 -3.166 -6.284 1.00 0.20 O ATOM 319 CB ILE A 39 12.652 -0.922 -7.028 1.00 0.30 C ATOM 320 CG1 ILE A 39 13.094 0.291 -6.155 1.00 0.29 C ATOM 321 CG2 ILE A 39 11.481 -0.515 -7.910 1.00 0.34 C ATOM 322 CD1 ILE A 39 13.980 1.274 -6.866 1.00 0.35 C ATOM 0 H ILE A 39 14.286 -1.882 -5.710 1.00 0.20 H new ATOM 0 HA ILE A 39 11.480 -1.402 -5.326 1.00 0.22 H new ATOM 0 HB ILE A 39 13.430 -1.307 -7.687 1.00 0.30 H new ATOM 0 HG12 ILE A 39 12.205 0.812 -5.800 1.00 0.29 H new ATOM 0 HG13 ILE A 39 13.618 -0.082 -5.275 1.00 0.29 H new ATOM 0 HG21 ILE A 39 11.822 0.196 -8.662 1.00 0.34 H new ATOM 0 HG22 ILE A 39 11.073 -1.397 -8.403 1.00 0.34 H new ATOM 0 HG23 ILE A 39 10.708 -0.052 -7.297 1.00 0.34 H new ATOM 0 HD11 ILE A 39 14.241 2.086 -6.187 1.00 0.35 H new ATOM 0 HD12 ILE A 39 14.889 0.772 -7.197 1.00 0.35 H new ATOM 0 HD13 ILE A 39 13.454 1.679 -7.731 1.00 0.35 H new ATOM 334 N LEU A 40 12.072 -4.074 -7.082 1.00 0.27 N ATOM 335 CA LEU A 40 11.312 -5.278 -7.534 1.00 0.26 C ATOM 336 C LEU A 40 10.862 -6.017 -6.253 1.00 0.20 C ATOM 337 O LEU A 40 9.725 -6.430 -6.194 1.00 0.16 O ATOM 338 CB LEU A 40 12.232 -6.177 -8.407 1.00 0.33 C ATOM 339 CG LEU A 40 12.610 -5.464 -9.713 1.00 0.38 C ATOM 340 CD1 LEU A 40 13.372 -6.453 -10.590 1.00 0.42 C ATOM 341 CD2 LEU A 40 11.375 -4.964 -10.470 1.00 0.34 C ATOM 0 H LEU A 40 13.072 -4.074 -7.285 1.00 0.27 H new ATOM 0 HA LEU A 40 10.448 -5.011 -8.142 1.00 0.26 H new ATOM 0 HB2 LEU A 40 13.135 -6.430 -7.851 1.00 0.33 H new ATOM 0 HB3 LEU A 40 11.724 -7.114 -8.633 1.00 0.33 H new ATOM 0 HG LEU A 40 13.221 -4.594 -9.472 1.00 0.38 H new ATOM 0 HD11 LEU A 40 13.652 -5.969 -11.526 1.00 0.42 H new ATOM 0 HD12 LEU A 40 14.271 -6.784 -10.069 1.00 0.42 H new ATOM 0 HD13 LEU A 40 12.738 -7.314 -10.802 1.00 0.42 H new ATOM 0 HD21 LEU A 40 11.688 -4.466 -11.388 1.00 0.34 H new ATOM 0 HD22 LEU A 40 10.733 -5.809 -10.717 1.00 0.34 H new ATOM 0 HD23 LEU A 40 10.825 -4.261 -9.845 1.00 0.34 H new ATOM 353 N GLN A 41 11.727 -6.173 -5.281 1.00 0.22 N ATOM 354 CA GLN A 41 11.355 -6.871 -4.009 1.00 0.19 C ATOM 355 C GLN A 41 10.053 -6.237 -3.439 1.00 0.14 C ATOM 356 O GLN A 41 9.181 -6.922 -2.950 1.00 0.25 O ATOM 357 CB GLN A 41 12.554 -6.745 -2.989 1.00 0.20 C ATOM 358 CG GLN A 41 13.802 -7.603 -3.441 1.00 1.07 C ATOM 359 CD GLN A 41 15.044 -7.424 -2.540 1.00 1.07 C ATOM 360 OE1 GLN A 41 16.150 -7.814 -2.863 1.00 1.40 O ATOM 361 NE2 GLN A 41 14.961 -6.845 -1.388 1.00 0.88 N ATOM 0 H GLN A 41 12.691 -5.841 -5.315 1.00 0.22 H new ATOM 0 HA GLN A 41 11.165 -7.929 -4.190 1.00 0.19 H new ATOM 0 HB2 GLN A 41 12.846 -5.699 -2.899 1.00 0.20 H new ATOM 0 HB3 GLN A 41 12.227 -7.071 -2.002 1.00 0.20 H new ATOM 0 HG2 GLN A 41 13.522 -8.656 -3.452 1.00 1.07 H new ATOM 0 HG3 GLN A 41 14.065 -7.333 -4.464 1.00 1.07 H new ATOM 0 HE21 GLN A 41 14.062 -6.495 -1.057 1.00 0.88 H new ATOM 0 HE22 GLN A 41 15.794 -6.738 -0.810 1.00 0.88 H new ATOM 370 N ASP A 42 9.970 -4.941 -3.525 1.00 0.04 N ATOM 371 CA ASP A 42 8.797 -4.172 -3.038 1.00 0.09 C ATOM 372 C ASP A 42 7.609 -4.258 -4.012 1.00 0.05 C ATOM 373 O ASP A 42 6.490 -4.583 -3.672 1.00 0.09 O ATOM 374 CB ASP A 42 9.269 -2.747 -2.905 1.00 0.14 C ATOM 375 CG ASP A 42 10.099 -2.505 -1.692 1.00 0.40 C ATOM 376 OD1 ASP A 42 9.567 -2.451 -0.601 1.00 0.89 O ATOM 377 OD2 ASP A 42 11.272 -2.357 -1.930 1.00 1.89 O ATOM 0 H ASP A 42 10.702 -4.359 -3.932 1.00 0.04 H new ATOM 0 HA ASP A 42 8.438 -4.575 -2.091 1.00 0.09 H new ATOM 0 HB2 ASP A 42 9.847 -2.480 -3.790 1.00 0.14 H new ATOM 0 HB3 ASP A 42 8.402 -2.087 -2.880 1.00 0.14 H new ATOM 382 N LYS A 43 7.935 -3.942 -5.220 1.00 0.01 N ATOM 383 CA LYS A 43 6.993 -3.922 -6.348 1.00 0.06 C ATOM 384 C LYS A 43 7.530 -4.801 -7.516 1.00 0.13 C ATOM 385 O LYS A 43 8.046 -4.302 -8.493 1.00 0.18 O ATOM 386 CB LYS A 43 6.875 -2.430 -6.590 1.00 0.07 C ATOM 387 CG LYS A 43 5.778 -2.154 -7.599 1.00 0.08 C ATOM 388 CD LYS A 43 5.525 -0.632 -7.586 1.00 0.16 C ATOM 389 CE LYS A 43 5.253 -0.184 -8.957 1.00 0.24 C ATOM 390 NZ LYS A 43 6.504 -0.164 -9.680 1.00 2.11 N ATOM 0 H LYS A 43 8.885 -3.679 -5.484 1.00 0.01 H new ATOM 0 HA LYS A 43 6.008 -4.363 -6.194 1.00 0.06 H new ATOM 0 HB2 LYS A 43 6.656 -1.917 -5.653 1.00 0.07 H new ATOM 0 HB3 LYS A 43 7.824 -2.036 -6.955 1.00 0.07 H new ATOM 0 HG2 LYS A 43 6.076 -2.487 -8.593 1.00 0.08 H new ATOM 0 HG3 LYS A 43 4.870 -2.698 -7.340 1.00 0.08 H new ATOM 0 HD2 LYS A 43 4.681 -0.396 -6.938 1.00 0.16 H new ATOM 0 HD3 LYS A 43 6.393 -0.109 -7.184 1.00 0.16 H new ATOM 0 HE2 LYS A 43 4.544 -0.854 -9.443 1.00 0.24 H new ATOM 0 HE3 LYS A 43 4.801 0.808 -8.951 1.00 0.24 H new ATOM 0 HZ1 LYS A 43 6.737 0.815 -9.944 1.00 2.11 H new ATOM 0 HZ2 LYS A 43 7.259 -0.550 -9.078 1.00 2.11 H new ATOM 0 HZ3 LYS A 43 6.417 -0.743 -10.540 1.00 2.11 H new ATOM 404 N PRO A 44 7.402 -6.102 -7.385 1.00 0.17 N ATOM 405 CA PRO A 44 7.906 -7.088 -8.386 1.00 0.23 C ATOM 406 C PRO A 44 7.619 -6.714 -9.849 1.00 0.24 C ATOM 407 O PRO A 44 8.486 -6.859 -10.687 1.00 0.25 O ATOM 408 CB PRO A 44 7.270 -8.433 -7.913 1.00 0.29 C ATOM 409 CG PRO A 44 6.138 -8.001 -6.953 1.00 1.14 C ATOM 410 CD PRO A 44 6.731 -6.782 -6.257 1.00 0.17 C ATOM 0 HA PRO A 44 8.995 -7.137 -8.411 1.00 0.23 H new ATOM 0 HB2 PRO A 44 6.881 -9.007 -8.754 1.00 0.29 H new ATOM 0 HB3 PRO A 44 8.002 -9.063 -7.408 1.00 0.29 H new ATOM 0 HG2 PRO A 44 5.223 -7.754 -7.492 1.00 1.14 H new ATOM 0 HG3 PRO A 44 5.887 -8.789 -6.243 1.00 1.14 H new ATOM 0 HD2 PRO A 44 5.965 -6.158 -5.798 1.00 0.17 H new ATOM 0 HD3 PRO A 44 7.431 -7.059 -5.469 1.00 0.17 H new ATOM 418 N GLU A 45 6.425 -6.247 -10.111 1.00 0.28 N ATOM 419 CA GLU A 45 6.023 -5.848 -11.499 1.00 0.36 C ATOM 420 C GLU A 45 6.450 -4.408 -11.849 1.00 0.32 C ATOM 421 O GLU A 45 6.037 -3.826 -12.836 1.00 0.28 O ATOM 422 CB GLU A 45 4.492 -6.050 -11.549 1.00 0.54 C ATOM 423 CG GLU A 45 3.714 -4.999 -10.667 1.00 0.94 C ATOM 424 CD GLU A 45 2.336 -5.553 -10.277 1.00 1.14 C ATOM 425 OE1 GLU A 45 2.372 -6.469 -9.470 1.00 0.90 O ATOM 426 OE2 GLU A 45 1.359 -5.036 -10.798 1.00 2.28 O ATOM 0 H GLU A 45 5.696 -6.122 -9.409 1.00 0.28 H new ATOM 0 HA GLU A 45 6.527 -6.454 -12.252 1.00 0.36 H new ATOM 0 HB2 GLU A 45 4.153 -5.975 -12.582 1.00 0.54 H new ATOM 0 HB3 GLU A 45 4.250 -7.056 -11.207 1.00 0.54 H new ATOM 0 HG2 GLU A 45 4.289 -4.769 -9.770 1.00 0.94 H new ATOM 0 HG3 GLU A 45 3.597 -4.066 -11.218 1.00 0.94 H new ATOM 433 N ALA A 46 7.281 -3.859 -11.011 1.00 0.35 N ATOM 434 CA ALA A 46 7.742 -2.488 -11.278 1.00 0.34 C ATOM 435 C ALA A 46 8.522 -2.164 -12.577 1.00 0.25 C ATOM 436 O ALA A 46 9.517 -2.763 -12.949 1.00 0.27 O ATOM 437 CB ALA A 46 8.602 -2.041 -10.090 1.00 0.35 C ATOM 0 H ALA A 46 7.651 -4.298 -10.168 1.00 0.35 H new ATOM 0 HA ALA A 46 6.806 -1.950 -11.425 1.00 0.34 H new ATOM 0 HB1 ALA A 46 8.959 -1.025 -10.261 1.00 0.35 H new ATOM 0 HB2 ALA A 46 8.005 -2.068 -9.178 1.00 0.35 H new ATOM 0 HB3 ALA A 46 9.455 -2.712 -9.985 1.00 0.35 H new ATOM 443 N GLN A 47 7.997 -1.156 -13.219 1.00 0.19 N ATOM 444 CA GLN A 47 8.574 -0.639 -14.491 1.00 0.14 C ATOM 445 C GLN A 47 9.547 0.406 -13.918 1.00 0.14 C ATOM 446 O GLN A 47 9.253 1.584 -13.795 1.00 0.12 O ATOM 447 CB GLN A 47 7.520 0.076 -15.348 1.00 0.22 C ATOM 448 CG GLN A 47 6.215 -0.719 -15.495 1.00 1.07 C ATOM 449 CD GLN A 47 5.157 0.130 -16.212 1.00 1.60 C ATOM 450 OE1 GLN A 47 4.086 -0.327 -16.543 1.00 2.42 O ATOM 451 NE2 GLN A 47 5.357 1.382 -16.493 1.00 1.80 N ATOM 0 H GLN A 47 7.166 -0.655 -12.903 1.00 0.19 H new ATOM 0 HA GLN A 47 9.000 -1.408 -15.135 1.00 0.14 H new ATOM 0 HB2 GLN A 47 7.298 1.046 -14.904 1.00 0.22 H new ATOM 0 HB3 GLN A 47 7.935 0.266 -16.338 1.00 0.22 H new ATOM 0 HG2 GLN A 47 6.399 -1.635 -16.057 1.00 1.07 H new ATOM 0 HG3 GLN A 47 5.849 -1.016 -14.512 1.00 1.07 H new ATOM 0 HE21 GLN A 47 6.239 1.827 -16.240 1.00 1.80 H new ATOM 0 HE22 GLN A 47 4.632 1.921 -16.966 1.00 1.80 H new ATOM 460 N ILE A 48 10.681 -0.109 -13.556 1.00 0.26 N ATOM 461 CA ILE A 48 11.775 0.725 -12.971 1.00 0.33 C ATOM 462 C ILE A 48 12.503 1.543 -14.061 1.00 0.38 C ATOM 463 O ILE A 48 13.308 1.063 -14.830 1.00 0.43 O ATOM 464 CB ILE A 48 12.772 -0.213 -12.234 1.00 0.39 C ATOM 465 CG1 ILE A 48 11.932 -1.205 -11.360 1.00 0.29 C ATOM 466 CG2 ILE A 48 13.631 0.661 -11.289 1.00 0.44 C ATOM 467 CD1 ILE A 48 12.798 -2.014 -10.398 1.00 0.54 C ATOM 0 H ILE A 48 10.908 -1.100 -13.641 1.00 0.26 H new ATOM 0 HA ILE A 48 11.345 1.438 -12.268 1.00 0.33 H new ATOM 0 HB ILE A 48 13.403 -0.755 -12.938 1.00 0.39 H new ATOM 0 HG12 ILE A 48 11.190 -0.644 -10.792 1.00 0.29 H new ATOM 0 HG13 ILE A 48 11.386 -1.886 -12.013 1.00 0.29 H new ATOM 0 HG21 ILE A 48 14.342 0.030 -10.756 1.00 0.44 H new ATOM 0 HG22 ILE A 48 14.173 1.405 -11.873 1.00 0.44 H new ATOM 0 HG23 ILE A 48 12.984 1.165 -10.571 1.00 0.44 H new ATOM 0 HD11 ILE A 48 12.166 -2.685 -9.817 1.00 0.54 H new ATOM 0 HD12 ILE A 48 13.523 -2.598 -10.965 1.00 0.54 H new ATOM 0 HD13 ILE A 48 13.324 -1.337 -9.725 1.00 0.54 H new ATOM 479 N ILE A 49 12.154 2.788 -14.046 1.00 0.38 N ATOM 480 CA ILE A 49 12.662 3.849 -14.967 1.00 0.41 C ATOM 481 C ILE A 49 13.813 4.603 -14.301 1.00 0.46 C ATOM 482 O ILE A 49 13.891 4.649 -13.095 1.00 0.48 O ATOM 483 CB ILE A 49 11.500 4.755 -15.250 1.00 0.34 C ATOM 484 CG1 ILE A 49 10.569 3.897 -16.142 1.00 0.30 C ATOM 485 CG2 ILE A 49 11.979 6.118 -15.860 1.00 0.41 C ATOM 486 CD1 ILE A 49 9.590 4.759 -16.829 1.00 0.20 C ATOM 0 H ILE A 49 11.477 3.148 -13.374 1.00 0.38 H new ATOM 0 HA ILE A 49 13.051 3.433 -15.896 1.00 0.41 H new ATOM 0 HB ILE A 49 10.955 5.084 -14.366 1.00 0.34 H new ATOM 0 HG12 ILE A 49 11.160 3.348 -16.875 1.00 0.30 H new ATOM 0 HG13 ILE A 49 10.050 3.157 -15.533 1.00 0.30 H new ATOM 0 HG21 ILE A 49 11.115 6.753 -16.054 1.00 0.41 H new ATOM 0 HG22 ILE A 49 12.646 6.617 -15.157 1.00 0.41 H new ATOM 0 HG23 ILE A 49 12.510 5.932 -16.794 1.00 0.41 H new ATOM 0 HD11 ILE A 49 8.940 4.146 -17.454 1.00 0.20 H new ATOM 0 HD12 ILE A 49 8.989 5.288 -16.089 1.00 0.20 H new ATOM 0 HD13 ILE A 49 10.116 5.482 -17.453 1.00 0.20 H new ATOM 498 N VAL A 50 14.687 5.197 -15.060 1.00 0.48 N ATOM 499 CA VAL A 50 15.828 5.949 -14.493 1.00 0.54 C ATOM 500 C VAL A 50 15.854 7.372 -15.079 1.00 0.59 C ATOM 501 O VAL A 50 15.599 7.553 -16.255 1.00 0.64 O ATOM 502 CB VAL A 50 17.154 5.218 -14.832 1.00 0.56 C ATOM 503 CG1 VAL A 50 18.310 5.864 -14.049 1.00 0.57 C ATOM 504 CG2 VAL A 50 17.089 3.725 -14.434 1.00 0.58 C ATOM 0 H VAL A 50 14.653 5.190 -16.079 1.00 0.48 H new ATOM 0 HA VAL A 50 15.718 6.009 -13.410 1.00 0.54 H new ATOM 0 HB VAL A 50 17.313 5.299 -15.907 1.00 0.56 H new ATOM 0 HG11 VAL A 50 19.242 5.351 -14.287 1.00 0.57 H new ATOM 0 HG12 VAL A 50 18.394 6.915 -14.325 1.00 0.57 H new ATOM 0 HG13 VAL A 50 18.114 5.784 -12.980 1.00 0.57 H new ATOM 0 HG21 VAL A 50 18.033 3.240 -14.684 1.00 0.58 H new ATOM 0 HG22 VAL A 50 16.911 3.642 -13.362 1.00 0.58 H new ATOM 0 HG23 VAL A 50 16.277 3.239 -14.975 1.00 0.58 H new ATOM 514 N LEU A 51 16.142 8.325 -14.238 1.00 0.59 N ATOM 515 CA LEU A 51 16.233 9.766 -14.596 1.00 0.65 C ATOM 516 C LEU A 51 17.325 10.364 -13.671 1.00 0.60 C ATOM 517 O LEU A 51 18.115 9.664 -13.065 1.00 0.63 O ATOM 518 CB LEU A 51 14.856 10.444 -14.331 1.00 0.71 C ATOM 519 CG LEU A 51 14.667 10.704 -12.798 1.00 0.57 C ATOM 520 CD1 LEU A 51 14.139 12.136 -12.599 1.00 0.66 C ATOM 521 CD2 LEU A 51 13.678 9.713 -12.221 1.00 0.40 C ATOM 0 H LEU A 51 16.330 8.146 -13.252 1.00 0.59 H new ATOM 0 HA LEU A 51 16.484 9.920 -15.645 1.00 0.65 H new ATOM 0 HB2 LEU A 51 14.795 11.385 -14.877 1.00 0.71 H new ATOM 0 HB3 LEU A 51 14.052 9.808 -14.701 1.00 0.71 H new ATOM 0 HG LEU A 51 15.622 10.584 -12.287 1.00 0.57 H new ATOM 0 HD11 LEU A 51 14.003 12.329 -11.535 1.00 0.66 H new ATOM 0 HD12 LEU A 51 14.855 12.848 -13.009 1.00 0.66 H new ATOM 0 HD13 LEU A 51 13.184 12.246 -13.112 1.00 0.66 H new ATOM 0 HD21 LEU A 51 13.554 9.902 -11.155 1.00 0.40 H new ATOM 0 HD22 LEU A 51 12.717 9.823 -12.724 1.00 0.40 H new ATOM 0 HD23 LEU A 51 14.050 8.699 -12.369 1.00 0.40 H new ATOM 533 N GLU A 52 17.255 11.661 -13.603 1.00 0.59 N ATOM 534 CA GLU A 52 18.176 12.492 -12.780 1.00 0.57 C ATOM 535 C GLU A 52 17.501 12.948 -11.435 1.00 0.59 C ATOM 536 O GLU A 52 16.544 12.387 -10.928 1.00 0.66 O ATOM 537 CB GLU A 52 18.577 13.702 -13.677 1.00 0.82 C ATOM 538 CG GLU A 52 19.523 13.242 -14.833 1.00 0.72 C ATOM 539 CD GLU A 52 20.099 14.456 -15.578 1.00 1.07 C ATOM 540 OE1 GLU A 52 20.595 15.311 -14.857 1.00 1.07 O ATOM 541 OE2 GLU A 52 20.020 14.460 -16.797 1.00 1.86 O ATOM 0 H GLU A 52 16.560 12.207 -14.112 1.00 0.59 H new ATOM 0 HA GLU A 52 19.057 11.926 -12.476 1.00 0.57 H new ATOM 0 HB2 GLU A 52 17.682 14.164 -14.094 1.00 0.82 H new ATOM 0 HB3 GLU A 52 19.075 14.460 -13.073 1.00 0.82 H new ATOM 0 HG2 GLU A 52 20.335 12.639 -14.427 1.00 0.72 H new ATOM 0 HG3 GLU A 52 18.973 12.609 -15.529 1.00 0.72 H new ATOM 548 N LYS A 53 18.085 13.976 -10.897 1.00 0.60 N ATOM 549 CA LYS A 53 17.674 14.645 -9.630 1.00 0.65 C ATOM 550 C LYS A 53 16.221 15.167 -9.803 1.00 0.86 C ATOM 551 O LYS A 53 15.664 15.071 -10.878 1.00 1.30 O ATOM 552 CB LYS A 53 18.744 15.753 -9.417 1.00 0.70 C ATOM 553 CG LYS A 53 18.910 16.181 -7.934 1.00 0.50 C ATOM 554 CD LYS A 53 20.081 17.243 -7.817 1.00 0.95 C ATOM 555 CE LYS A 53 21.453 16.749 -8.354 1.00 2.00 C ATOM 556 NZ LYS A 53 21.861 15.543 -7.563 1.00 2.57 N ATOM 0 H LYS A 53 18.901 14.416 -11.323 1.00 0.60 H new ATOM 0 HA LYS A 53 17.643 14.004 -8.749 1.00 0.65 H new ATOM 0 HB2 LYS A 53 19.703 15.397 -9.793 1.00 0.70 H new ATOM 0 HB3 LYS A 53 18.473 16.626 -10.010 1.00 0.70 H new ATOM 0 HG2 LYS A 53 17.979 16.608 -7.562 1.00 0.50 H new ATOM 0 HG3 LYS A 53 19.131 15.311 -7.316 1.00 0.50 H new ATOM 0 HD2 LYS A 53 19.794 18.143 -8.361 1.00 0.95 H new ATOM 0 HD3 LYS A 53 20.195 17.526 -6.771 1.00 0.95 H new ATOM 0 HE2 LYS A 53 21.380 16.502 -9.413 1.00 2.00 H new ATOM 0 HE3 LYS A 53 22.202 17.535 -8.262 1.00 2.00 H new ATOM 0 HZ1 LYS A 53 22.816 15.247 -7.849 1.00 2.57 H new ATOM 0 HZ2 LYS A 53 21.860 15.776 -6.549 1.00 2.57 H new ATOM 0 HZ3 LYS A 53 21.190 14.768 -7.741 1.00 2.57 H new ATOM 570 N GLN A 54 15.624 15.711 -8.774 1.00 0.59 N ATOM 571 CA GLN A 54 14.202 16.239 -8.876 1.00 0.75 C ATOM 572 C GLN A 54 13.829 17.283 -9.987 1.00 0.82 C ATOM 573 O GLN A 54 13.431 18.391 -9.696 1.00 0.78 O ATOM 574 CB GLN A 54 13.830 16.832 -7.495 1.00 0.76 C ATOM 575 CG GLN A 54 14.949 17.817 -7.029 1.00 1.46 C ATOM 576 CD GLN A 54 15.725 17.220 -5.872 1.00 0.99 C ATOM 577 OE1 GLN A 54 16.365 16.200 -6.017 1.00 1.18 O ATOM 578 NE2 GLN A 54 15.707 17.794 -4.716 1.00 1.64 N ATOM 0 H GLN A 54 16.052 15.819 -7.855 1.00 0.59 H new ATOM 0 HA GLN A 54 13.631 15.365 -9.189 1.00 0.75 H new ATOM 0 HB2 GLN A 54 12.875 17.354 -7.557 1.00 0.76 H new ATOM 0 HB3 GLN A 54 13.709 16.032 -6.765 1.00 0.76 H new ATOM 0 HG2 GLN A 54 15.624 18.030 -7.858 1.00 1.46 H new ATOM 0 HG3 GLN A 54 14.506 18.766 -6.728 1.00 1.46 H new ATOM 0 HE21 GLN A 54 15.173 18.652 -4.581 1.00 1.64 H new ATOM 0 HE22 GLN A 54 16.227 17.389 -3.938 1.00 1.64 H new ATOM 587 N ALA A 55 13.948 16.914 -11.229 1.00 0.97 N ATOM 588 CA ALA A 55 13.627 17.806 -12.375 1.00 1.05 C ATOM 589 C ALA A 55 12.281 17.374 -13.011 1.00 1.06 C ATOM 590 O ALA A 55 12.190 17.095 -14.190 1.00 1.47 O ATOM 591 CB ALA A 55 14.823 17.683 -13.341 1.00 1.18 C ATOM 0 H ALA A 55 14.270 15.987 -11.508 1.00 0.97 H new ATOM 0 HA ALA A 55 13.493 18.848 -12.086 1.00 1.05 H new ATOM 0 HB1 ALA A 55 14.654 18.316 -14.212 1.00 1.18 H new ATOM 0 HB2 ALA A 55 15.734 17.999 -12.834 1.00 1.18 H new ATOM 0 HB3 ALA A 55 14.927 16.646 -13.661 1.00 1.18 H new ATOM 597 N VAL A 56 11.266 17.327 -12.188 1.00 0.88 N ATOM 598 CA VAL A 56 9.905 16.928 -12.678 1.00 0.98 C ATOM 599 C VAL A 56 8.864 18.004 -12.399 1.00 1.67 C ATOM 600 O VAL A 56 8.583 18.413 -11.289 1.00 2.39 O ATOM 601 CB VAL A 56 9.423 15.593 -12.009 1.00 0.80 C ATOM 602 CG1 VAL A 56 7.893 15.352 -12.322 1.00 1.54 C ATOM 603 CG2 VAL A 56 10.194 14.427 -12.662 1.00 0.74 C ATOM 0 H VAL A 56 11.317 17.548 -11.194 1.00 0.88 H new ATOM 0 HA VAL A 56 10.001 16.788 -13.755 1.00 0.98 H new ATOM 0 HB VAL A 56 9.589 15.652 -10.933 1.00 0.80 H new ATOM 0 HG11 VAL A 56 7.568 14.423 -11.854 1.00 1.54 H new ATOM 0 HG12 VAL A 56 7.306 16.182 -11.928 1.00 1.54 H new ATOM 0 HG13 VAL A 56 7.748 15.285 -13.400 1.00 1.54 H new ATOM 0 HG21 VAL A 56 9.877 13.485 -12.214 1.00 0.74 H new ATOM 0 HG22 VAL A 56 9.987 14.408 -13.732 1.00 0.74 H new ATOM 0 HG23 VAL A 56 11.264 14.563 -12.502 1.00 0.74 H new ATOM 613 N ASP A 57 8.326 18.406 -13.502 1.00 1.80 N ATOM 614 CA ASP A 57 7.270 19.439 -13.579 1.00 2.36 C ATOM 615 C ASP A 57 6.056 18.653 -14.125 1.00 2.32 C ATOM 616 O ASP A 57 6.115 17.460 -14.372 1.00 1.66 O ATOM 617 CB ASP A 57 7.687 20.521 -14.597 1.00 3.10 C ATOM 618 CG ASP A 57 9.160 20.901 -14.531 1.00 2.82 C ATOM 619 OD1 ASP A 57 9.983 20.012 -14.690 1.00 2.08 O ATOM 620 OD2 ASP A 57 9.337 22.088 -14.338 1.00 3.78 O ATOM 0 H ASP A 57 8.594 18.035 -14.414 1.00 1.80 H new ATOM 0 HA ASP A 57 7.074 19.938 -12.630 1.00 2.36 H new ATOM 0 HB2 ASP A 57 7.459 20.166 -15.602 1.00 3.10 H new ATOM 0 HB3 ASP A 57 7.084 21.414 -14.430 1.00 3.10 H new ATOM 625 N ASN A 58 4.967 19.331 -14.344 1.00 3.28 N ATOM 626 CA ASN A 58 3.775 18.602 -14.881 1.00 3.44 C ATOM 627 C ASN A 58 3.922 18.570 -16.428 1.00 3.06 C ATOM 628 O ASN A 58 3.006 18.812 -17.184 1.00 3.72 O ATOM 629 CB ASN A 58 2.504 19.360 -14.425 1.00 4.96 C ATOM 630 CG ASN A 58 2.288 19.261 -12.911 1.00 5.77 C ATOM 631 OD1 ASN A 58 3.209 18.836 -12.102 1.00 6.67 O flip ATOM 632 ND2 ASN A 58 1.237 19.586 -12.408 1.00 5.58 N flip ATOM 0 H ASN A 58 4.845 20.331 -14.182 1.00 3.28 H new ATOM 0 HA ASN A 58 3.700 17.578 -14.515 1.00 3.44 H new ATOM 0 HB2 ASN A 58 2.585 20.408 -14.712 1.00 4.96 H new ATOM 0 HB3 ASN A 58 1.635 18.954 -14.942 1.00 4.96 H new ATOM 0 HD21 ASN A 58 0.475 19.928 -12.994 1.00 5.58 H new ATOM 0 HD22 ASN A 58 1.112 19.518 -11.398 1.00 5.58 H new ATOM 639 N ALA A 59 5.133 18.275 -16.820 1.00 2.20 N ATOM 640 CA ALA A 59 5.589 18.155 -18.244 1.00 2.27 C ATOM 641 C ALA A 59 5.784 16.661 -18.639 1.00 1.61 C ATOM 642 O ALA A 59 5.659 16.249 -19.776 1.00 1.47 O ATOM 643 CB ALA A 59 6.898 18.953 -18.343 1.00 2.65 C ATOM 0 H ALA A 59 5.885 18.098 -16.154 1.00 2.20 H new ATOM 0 HA ALA A 59 4.848 18.551 -18.939 1.00 2.27 H new ATOM 0 HB1 ALA A 59 7.279 18.902 -19.363 1.00 2.65 H new ATOM 0 HB2 ALA A 59 6.711 19.993 -18.078 1.00 2.65 H new ATOM 0 HB3 ALA A 59 7.634 18.531 -17.659 1.00 2.65 H new ATOM 649 N TYR A 60 6.094 15.934 -17.599 1.00 1.73 N ATOM 650 CA TYR A 60 6.359 14.462 -17.635 1.00 1.86 C ATOM 651 C TYR A 60 5.094 13.621 -17.308 1.00 1.49 C ATOM 652 O TYR A 60 4.014 14.168 -17.174 1.00 1.03 O ATOM 653 CB TYR A 60 7.548 14.271 -16.625 1.00 2.84 C ATOM 654 CG TYR A 60 7.791 12.797 -16.242 1.00 2.25 C ATOM 655 CD1 TYR A 60 8.607 11.984 -16.997 1.00 2.50 C ATOM 656 CD2 TYR A 60 7.170 12.260 -15.131 1.00 2.02 C ATOM 657 CE1 TYR A 60 8.796 10.653 -16.650 1.00 2.13 C ATOM 658 CE2 TYR A 60 7.362 10.934 -14.787 1.00 1.50 C ATOM 659 CZ TYR A 60 8.173 10.115 -15.541 1.00 1.23 C ATOM 660 OH TYR A 60 8.320 8.789 -15.171 1.00 0.83 O ATOM 0 H TYR A 60 6.180 16.330 -16.663 1.00 1.73 H new ATOM 0 HA TYR A 60 6.625 14.099 -18.628 1.00 1.86 H new ATOM 0 HB2 TYR A 60 8.458 14.680 -17.064 1.00 2.84 H new ATOM 0 HB3 TYR A 60 7.344 14.845 -15.721 1.00 2.84 H new ATOM 0 HD1 TYR A 60 9.105 12.386 -17.867 1.00 2.50 H new ATOM 0 HD2 TYR A 60 6.528 12.882 -14.525 1.00 2.02 H new ATOM 0 HE1 TYR A 60 9.438 10.030 -17.255 1.00 2.13 H new ATOM 0 HE2 TYR A 60 6.868 10.535 -13.913 1.00 1.50 H new ATOM 0 HH TYR A 60 9.085 8.701 -14.565 1.00 0.83 H new ATOM 670 N ALA A 61 5.258 12.320 -17.196 1.00 2.06 N ATOM 671 CA ALA A 61 4.110 11.411 -16.886 1.00 2.05 C ATOM 672 C ALA A 61 3.597 11.537 -15.434 1.00 2.02 C ATOM 673 O ALA A 61 4.200 12.156 -14.577 1.00 2.31 O ATOM 674 CB ALA A 61 4.573 9.972 -17.170 1.00 2.79 C ATOM 0 H ALA A 61 6.154 11.846 -17.309 1.00 2.06 H new ATOM 0 HA ALA A 61 3.266 11.694 -17.515 1.00 2.05 H new ATOM 0 HB1 ALA A 61 3.760 9.279 -16.955 1.00 2.79 H new ATOM 0 HB2 ALA A 61 4.859 9.882 -18.218 1.00 2.79 H new ATOM 0 HB3 ALA A 61 5.429 9.734 -16.539 1.00 2.79 H new ATOM 680 N GLU A 62 2.490 10.902 -15.203 1.00 1.83 N ATOM 681 CA GLU A 62 1.855 10.939 -13.859 1.00 1.89 C ATOM 682 C GLU A 62 1.989 9.683 -12.975 1.00 1.58 C ATOM 683 O GLU A 62 2.918 8.884 -13.049 1.00 1.86 O ATOM 684 CB GLU A 62 0.338 11.381 -14.167 1.00 1.79 C ATOM 685 CG GLU A 62 -0.235 10.867 -15.547 1.00 1.06 C ATOM 686 CD GLU A 62 -0.278 9.345 -15.606 1.00 1.21 C ATOM 687 OE1 GLU A 62 -1.296 8.823 -15.193 1.00 1.04 O ATOM 688 OE2 GLU A 62 0.730 8.816 -16.054 1.00 2.17 O ATOM 0 H GLU A 62 1.988 10.349 -15.898 1.00 1.83 H new ATOM 0 HA GLU A 62 2.385 11.639 -13.213 1.00 1.89 H new ATOM 0 HB2 GLU A 62 -0.302 11.014 -13.365 1.00 1.79 H new ATOM 0 HB3 GLU A 62 0.281 12.469 -14.149 1.00 1.79 H new ATOM 0 HG2 GLU A 62 -1.238 11.266 -15.696 1.00 1.06 H new ATOM 0 HG3 GLU A 62 0.382 11.246 -16.361 1.00 1.06 H new ATOM 695 N TYR A 63 1.026 9.576 -12.105 1.00 1.02 N ATOM 696 CA TYR A 63 0.995 8.440 -11.173 1.00 0.70 C ATOM 697 C TYR A 63 0.609 7.110 -11.834 1.00 0.51 C ATOM 698 O TYR A 63 -0.524 6.822 -12.180 1.00 0.43 O ATOM 699 CB TYR A 63 0.004 8.724 -10.008 1.00 0.46 C ATOM 700 CG TYR A 63 0.167 7.461 -9.149 1.00 0.37 C ATOM 701 CD1 TYR A 63 1.275 7.334 -8.338 1.00 1.60 C ATOM 702 CD2 TYR A 63 -0.749 6.427 -9.223 1.00 1.30 C ATOM 703 CE1 TYR A 63 1.474 6.175 -7.610 1.00 1.50 C ATOM 704 CE2 TYR A 63 -0.554 5.274 -8.494 1.00 1.40 C ATOM 705 CZ TYR A 63 0.556 5.157 -7.694 1.00 0.30 C ATOM 706 OH TYR A 63 0.748 4.009 -6.970 1.00 0.31 O ATOM 0 H TYR A 63 0.256 10.238 -12.006 1.00 1.02 H new ATOM 0 HA TYR A 63 2.014 8.336 -10.802 1.00 0.70 H new ATOM 0 HB2 TYR A 63 0.265 9.629 -9.460 1.00 0.46 H new ATOM 0 HB3 TYR A 63 -1.019 8.850 -10.362 1.00 0.46 H new ATOM 0 HD1 TYR A 63 1.989 8.141 -8.271 1.00 1.60 H new ATOM 0 HD2 TYR A 63 -1.620 6.524 -9.854 1.00 1.30 H new ATOM 0 HE1 TYR A 63 2.345 6.071 -6.980 1.00 1.50 H new ATOM 0 HE2 TYR A 63 -1.270 4.467 -8.551 1.00 1.40 H new ATOM 0 HH TYR A 63 -0.071 3.793 -6.476 1.00 0.31 H new ATOM 716 N ARG A 64 1.651 6.347 -11.965 1.00 0.56 N ATOM 717 CA ARG A 64 1.546 4.996 -12.563 1.00 0.51 C ATOM 718 C ARG A 64 1.948 4.109 -11.394 1.00 0.56 C ATOM 719 O ARG A 64 3.113 4.060 -11.036 1.00 0.89 O ATOM 720 CB ARG A 64 2.536 4.808 -13.730 1.00 0.66 C ATOM 721 CG ARG A 64 1.949 5.363 -15.058 1.00 0.56 C ATOM 722 CD ARG A 64 2.797 4.755 -16.173 1.00 0.99 C ATOM 723 NE ARG A 64 2.408 3.297 -16.196 1.00 1.75 N ATOM 724 CZ ARG A 64 2.122 2.594 -17.229 1.00 2.62 C ATOM 725 NH1 ARG A 64 1.611 3.148 -18.255 1.00 2.84 N ATOM 726 NH2 ARG A 64 2.369 1.348 -17.160 1.00 3.44 N ATOM 0 H ARG A 64 2.593 6.610 -11.675 1.00 0.56 H new ATOM 0 HA ARG A 64 0.561 4.787 -12.981 1.00 0.51 H new ATOM 0 HB2 ARG A 64 3.472 5.317 -13.502 1.00 0.66 H new ATOM 0 HB3 ARG A 64 2.769 3.750 -13.846 1.00 0.66 H new ATOM 0 HG2 ARG A 64 0.901 5.086 -15.168 1.00 0.56 H new ATOM 0 HG3 ARG A 64 1.995 6.452 -15.081 1.00 0.56 H new ATOM 0 HD2 ARG A 64 2.595 5.234 -17.131 1.00 0.99 H new ATOM 0 HD3 ARG A 64 3.861 4.878 -15.973 1.00 0.99 H new ATOM 0 HE ARG A 64 2.369 2.821 -15.295 1.00 1.75 H new ATOM 0 HH11 ARG A 64 1.429 4.152 -18.255 1.00 2.84 H new ATOM 0 HH12 ARG A 64 1.384 2.588 -19.077 1.00 2.84 H new ATOM 0 HH21 ARG A 64 2.775 0.955 -16.311 1.00 3.44 H new ATOM 0 HH22 ARG A 64 2.161 0.742 -17.954 1.00 3.44 H new ATOM 740 N ILE A 65 0.988 3.439 -10.817 1.00 0.32 N ATOM 741 CA ILE A 65 1.299 2.545 -9.662 1.00 0.34 C ATOM 742 C ILE A 65 2.240 1.370 -10.018 1.00 0.37 C ATOM 743 O ILE A 65 2.819 0.744 -9.159 1.00 0.44 O ATOM 744 CB ILE A 65 -0.022 1.999 -9.084 1.00 0.35 C ATOM 745 CG1 ILE A 65 0.204 1.043 -7.905 1.00 0.44 C ATOM 746 CG2 ILE A 65 -0.954 1.472 -10.174 1.00 0.40 C ATOM 747 CD1 ILE A 65 -1.121 0.974 -7.110 1.00 0.38 C ATOM 0 H ILE A 65 0.006 3.470 -11.092 1.00 0.32 H new ATOM 0 HA ILE A 65 1.833 3.147 -8.927 1.00 0.34 H new ATOM 0 HB ILE A 65 -0.561 2.839 -8.646 1.00 0.35 H new ATOM 0 HG12 ILE A 65 0.490 0.054 -8.262 1.00 0.44 H new ATOM 0 HG13 ILE A 65 1.015 1.400 -7.270 1.00 0.44 H new ATOM 0 HG21 ILE A 65 -1.871 1.098 -9.719 1.00 0.40 H new ATOM 0 HG22 ILE A 65 -1.195 2.278 -10.867 1.00 0.40 H new ATOM 0 HG23 ILE A 65 -0.461 0.664 -10.714 1.00 0.40 H new ATOM 0 HD11 ILE A 65 -1.001 0.302 -6.260 1.00 0.38 H new ATOM 0 HD12 ILE A 65 -1.382 1.969 -6.751 1.00 0.38 H new ATOM 0 HD13 ILE A 65 -1.915 0.602 -7.758 1.00 0.38 H new ATOM 759 N ASP A 66 2.343 1.130 -11.286 1.00 0.36 N ATOM 760 CA ASP A 66 3.181 0.056 -11.899 1.00 0.35 C ATOM 761 C ASP A 66 4.683 0.450 -12.126 1.00 0.37 C ATOM 762 O ASP A 66 5.592 -0.356 -12.089 1.00 0.44 O ATOM 763 CB ASP A 66 2.455 -0.266 -13.211 1.00 0.36 C ATOM 764 CG ASP A 66 2.331 1.033 -13.992 1.00 0.58 C ATOM 765 OD1 ASP A 66 3.353 1.436 -14.503 1.00 1.52 O ATOM 766 OD2 ASP A 66 1.266 1.615 -14.069 1.00 1.12 O ATOM 0 H ASP A 66 1.839 1.679 -11.982 1.00 0.36 H new ATOM 0 HA ASP A 66 3.268 -0.802 -11.233 1.00 0.35 H new ATOM 0 HB2 ASP A 66 3.010 -1.008 -13.785 1.00 0.36 H new ATOM 0 HB3 ASP A 66 1.471 -0.689 -13.011 1.00 0.36 H new ATOM 771 N ARG A 67 4.919 1.711 -12.338 1.00 0.34 N ATOM 772 CA ARG A 67 6.303 2.283 -12.595 1.00 0.34 C ATOM 773 C ARG A 67 7.043 2.672 -11.305 1.00 0.53 C ATOM 774 O ARG A 67 6.454 2.591 -10.251 1.00 0.97 O ATOM 775 CB ARG A 67 6.101 3.549 -13.502 1.00 0.27 C ATOM 776 CG ARG A 67 7.449 4.196 -13.976 1.00 1.18 C ATOM 777 CD ARG A 67 7.278 5.681 -14.324 1.00 1.68 C ATOM 778 NE ARG A 67 6.805 6.353 -13.078 1.00 2.44 N ATOM 779 CZ ARG A 67 5.886 7.227 -13.103 1.00 2.73 C ATOM 780 NH1 ARG A 67 5.980 8.226 -13.877 1.00 3.01 N ATOM 781 NH2 ARG A 67 4.912 7.022 -12.330 1.00 3.15 N ATOM 0 H ARG A 67 4.182 2.417 -12.347 1.00 0.34 H new ATOM 0 HA ARG A 67 6.923 1.525 -13.073 1.00 0.34 H new ATOM 0 HB2 ARG A 67 5.513 3.270 -14.376 1.00 0.27 H new ATOM 0 HB3 ARG A 67 5.523 4.292 -12.953 1.00 0.27 H new ATOM 0 HG2 ARG A 67 8.198 4.091 -13.191 1.00 1.18 H new ATOM 0 HG3 ARG A 67 7.823 3.659 -14.848 1.00 1.18 H new ATOM 0 HD2 ARG A 67 8.220 6.111 -14.664 1.00 1.68 H new ATOM 0 HD3 ARG A 67 6.558 5.810 -15.132 1.00 1.68 H new ATOM 0 HE ARG A 67 7.231 6.104 -12.185 1.00 2.44 H new ATOM 0 HH11 ARG A 67 6.795 8.328 -14.481 1.00 3.01 H new ATOM 0 HH12 ARG A 67 5.240 8.928 -13.896 1.00 3.01 H new ATOM 0 HH21 ARG A 67 4.898 6.193 -11.736 1.00 3.15 H new ATOM 0 HH22 ARG A 67 4.137 7.685 -12.299 1.00 3.15 H new ATOM 795 N VAL A 68 8.306 2.991 -11.438 1.00 0.25 N ATOM 796 CA VAL A 68 9.208 3.459 -10.318 1.00 0.38 C ATOM 797 C VAL A 68 10.319 4.237 -11.030 1.00 0.46 C ATOM 798 O VAL A 68 11.112 3.628 -11.719 1.00 0.67 O ATOM 799 CB VAL A 68 9.896 2.327 -9.477 1.00 0.40 C ATOM 800 CG1 VAL A 68 10.815 3.041 -8.405 1.00 0.40 C ATOM 801 CG2 VAL A 68 8.789 1.590 -8.721 1.00 0.34 C ATOM 0 H VAL A 68 8.786 2.944 -12.337 1.00 0.25 H new ATOM 0 HA VAL A 68 8.603 4.017 -9.604 1.00 0.38 H new ATOM 0 HB VAL A 68 10.470 1.645 -10.105 1.00 0.40 H new ATOM 0 HG11 VAL A 68 11.315 2.288 -7.795 1.00 0.40 H new ATOM 0 HG12 VAL A 68 11.562 3.650 -8.914 1.00 0.40 H new ATOM 0 HG13 VAL A 68 10.202 3.677 -7.766 1.00 0.40 H new ATOM 0 HG21 VAL A 68 9.227 0.792 -8.122 1.00 0.34 H new ATOM 0 HG22 VAL A 68 8.267 2.289 -8.068 1.00 0.34 H new ATOM 0 HG23 VAL A 68 8.084 1.163 -9.434 1.00 0.34 H new ATOM 811 N ARG A 69 10.361 5.533 -10.874 1.00 0.38 N ATOM 812 CA ARG A 69 11.436 6.325 -11.563 1.00 0.49 C ATOM 813 C ARG A 69 12.594 6.326 -10.564 1.00 0.38 C ATOM 814 O ARG A 69 12.397 6.436 -9.369 1.00 0.33 O ATOM 815 CB ARG A 69 11.020 7.796 -11.834 1.00 0.63 C ATOM 816 CG ARG A 69 9.503 8.020 -11.791 1.00 0.72 C ATOM 817 CD ARG A 69 9.301 9.525 -11.755 1.00 0.74 C ATOM 818 NE ARG A 69 9.719 10.003 -10.389 1.00 2.40 N ATOM 819 CZ ARG A 69 8.903 10.729 -9.708 1.00 3.66 C ATOM 820 NH1 ARG A 69 7.850 10.162 -9.276 1.00 4.65 N ATOM 821 NH2 ARG A 69 9.192 11.959 -9.517 1.00 4.15 N ATOM 0 H ARG A 69 9.710 6.077 -10.308 1.00 0.38 H new ATOM 0 HA ARG A 69 11.670 5.889 -12.534 1.00 0.49 H new ATOM 0 HB2 ARG A 69 11.496 8.442 -11.096 1.00 0.63 H new ATOM 0 HB3 ARG A 69 11.396 8.098 -12.811 1.00 0.63 H new ATOM 0 HG2 ARG A 69 9.019 7.583 -12.664 1.00 0.72 H new ATOM 0 HG3 ARG A 69 9.064 7.547 -10.913 1.00 0.72 H new ATOM 0 HD2 ARG A 69 9.894 10.011 -12.530 1.00 0.74 H new ATOM 0 HD3 ARG A 69 8.258 9.777 -11.947 1.00 0.74 H new ATOM 0 HE ARG A 69 10.633 9.756 -10.010 1.00 2.40 H new ATOM 0 HH11 ARG A 69 7.684 9.175 -9.474 1.00 4.65 H new ATOM 0 HH12 ARG A 69 7.171 10.694 -8.731 1.00 4.65 H new ATOM 0 HH21 ARG A 69 10.054 12.346 -9.901 1.00 4.15 H new ATOM 0 HH22 ARG A 69 8.561 12.554 -8.980 1.00 4.15 H new ATOM 835 N LEU A 70 13.759 6.232 -11.104 1.00 0.38 N ATOM 836 CA LEU A 70 14.983 6.199 -10.251 1.00 0.38 C ATOM 837 C LEU A 70 15.801 7.451 -10.484 1.00 0.44 C ATOM 838 O LEU A 70 16.162 7.721 -11.608 1.00 0.57 O ATOM 839 CB LEU A 70 15.789 4.912 -10.618 1.00 0.38 C ATOM 840 CG LEU A 70 15.811 3.973 -9.386 1.00 0.36 C ATOM 841 CD1 LEU A 70 16.331 2.555 -9.701 1.00 0.36 C ATOM 842 CD2 LEU A 70 16.795 4.572 -8.420 1.00 0.36 C ATOM 0 H LEU A 70 13.930 6.175 -12.108 1.00 0.38 H new ATOM 0 HA LEU A 70 14.723 6.171 -9.193 1.00 0.38 H new ATOM 0 HB2 LEU A 70 15.330 4.408 -11.469 1.00 0.38 H new ATOM 0 HB3 LEU A 70 16.805 5.174 -10.912 1.00 0.38 H new ATOM 0 HG LEU A 70 14.791 3.884 -9.013 1.00 0.36 H new ATOM 0 HD11 LEU A 70 16.319 1.953 -8.793 1.00 0.36 H new ATOM 0 HD12 LEU A 70 15.692 2.092 -10.452 1.00 0.36 H new ATOM 0 HD13 LEU A 70 17.351 2.617 -10.081 1.00 0.36 H new ATOM 0 HD21 LEU A 70 16.853 3.950 -7.527 1.00 0.36 H new ATOM 0 HD22 LEU A 70 17.778 4.627 -8.889 1.00 0.36 H new ATOM 0 HD23 LEU A 70 16.469 5.574 -8.143 1.00 0.36 H new ATOM 854 N ALA A 71 16.067 8.153 -9.421 1.00 0.37 N ATOM 855 CA ALA A 71 16.856 9.403 -9.516 1.00 0.40 C ATOM 856 C ALA A 71 18.280 9.075 -9.029 1.00 0.31 C ATOM 857 O ALA A 71 18.604 9.126 -7.855 1.00 0.26 O ATOM 858 CB ALA A 71 16.164 10.440 -8.634 1.00 0.45 C ATOM 0 H ALA A 71 15.765 7.908 -8.478 1.00 0.37 H new ATOM 0 HA ALA A 71 16.921 9.802 -10.528 1.00 0.40 H new ATOM 0 HB1 ALA A 71 16.715 11.379 -8.676 1.00 0.45 H new ATOM 0 HB2 ALA A 71 15.147 10.600 -8.991 1.00 0.45 H new ATOM 0 HB3 ALA A 71 16.135 10.082 -7.605 1.00 0.45 H new ATOM 864 N VAL A 72 19.111 8.731 -9.959 1.00 0.33 N ATOM 865 CA VAL A 72 20.528 8.387 -9.608 1.00 0.28 C ATOM 866 C VAL A 72 21.421 9.552 -9.999 1.00 0.28 C ATOM 867 O VAL A 72 20.989 10.430 -10.723 1.00 0.33 O ATOM 868 CB VAL A 72 20.986 7.145 -10.380 1.00 0.34 C ATOM 869 CG1 VAL A 72 20.254 5.954 -9.869 1.00 0.31 C ATOM 870 CG2 VAL A 72 20.599 7.281 -11.842 1.00 0.42 C ATOM 0 H VAL A 72 18.882 8.669 -10.951 1.00 0.33 H new ATOM 0 HA VAL A 72 20.590 8.187 -8.538 1.00 0.28 H new ATOM 0 HB VAL A 72 22.065 7.042 -10.261 1.00 0.34 H new ATOM 0 HG11 VAL A 72 20.576 5.067 -10.415 1.00 0.31 H new ATOM 0 HG12 VAL A 72 20.466 5.824 -8.808 1.00 0.31 H new ATOM 0 HG13 VAL A 72 19.183 6.097 -10.010 1.00 0.31 H new ATOM 0 HG21 VAL A 72 20.926 6.396 -12.389 1.00 0.42 H new ATOM 0 HG22 VAL A 72 19.517 7.379 -11.924 1.00 0.42 H new ATOM 0 HG23 VAL A 72 21.076 8.165 -12.264 1.00 0.42 H new ATOM 880 N ASP A 73 22.638 9.572 -9.534 1.00 0.24 N ATOM 881 CA ASP A 73 23.513 10.719 -9.927 1.00 0.21 C ATOM 882 C ASP A 73 24.353 10.327 -11.165 1.00 0.19 C ATOM 883 O ASP A 73 23.891 9.689 -12.091 1.00 0.09 O ATOM 884 CB ASP A 73 24.398 11.060 -8.701 1.00 0.20 C ATOM 885 CG ASP A 73 25.381 9.932 -8.437 1.00 0.22 C ATOM 886 OD1 ASP A 73 24.916 8.829 -8.191 1.00 1.19 O ATOM 887 OD2 ASP A 73 26.543 10.288 -8.527 1.00 1.16 O ATOM 0 H ASP A 73 23.057 8.873 -8.921 1.00 0.24 H new ATOM 0 HA ASP A 73 22.932 11.598 -10.205 1.00 0.21 H new ATOM 0 HB2 ASP A 73 24.939 11.989 -8.880 1.00 0.20 H new ATOM 0 HB3 ASP A 73 23.771 11.220 -7.823 1.00 0.20 H new ATOM 892 N LYS A 74 25.582 10.754 -11.145 1.00 0.31 N ATOM 893 CA LYS A 74 26.557 10.493 -12.215 1.00 0.33 C ATOM 894 C LYS A 74 27.247 9.137 -12.012 1.00 0.30 C ATOM 895 O LYS A 74 27.831 8.586 -12.919 1.00 0.28 O ATOM 896 CB LYS A 74 27.538 11.661 -12.176 1.00 0.45 C ATOM 897 CG LYS A 74 26.723 12.965 -12.394 1.00 0.17 C ATOM 898 CD LYS A 74 27.433 14.133 -11.683 1.00 1.38 C ATOM 899 CE LYS A 74 28.690 14.580 -12.429 1.00 2.61 C ATOM 900 NZ LYS A 74 28.220 15.198 -13.711 1.00 3.38 N ATOM 0 H LYS A 74 25.963 11.307 -10.377 1.00 0.31 H new ATOM 0 HA LYS A 74 26.082 10.427 -13.194 1.00 0.33 H new ATOM 0 HB2 LYS A 74 28.060 11.691 -11.220 1.00 0.45 H new ATOM 0 HB3 LYS A 74 28.297 11.550 -12.950 1.00 0.45 H new ATOM 0 HG2 LYS A 74 26.629 13.175 -13.459 1.00 0.17 H new ATOM 0 HG3 LYS A 74 25.713 12.846 -12.003 1.00 0.17 H new ATOM 0 HD2 LYS A 74 26.746 14.975 -11.594 1.00 1.38 H new ATOM 0 HD3 LYS A 74 27.701 13.832 -10.670 1.00 1.38 H new ATOM 0 HE2 LYS A 74 29.259 15.297 -11.837 1.00 2.61 H new ATOM 0 HE3 LYS A 74 29.348 13.733 -12.624 1.00 2.61 H new ATOM 0 HZ1 LYS A 74 28.925 15.887 -14.043 1.00 3.38 H new ATOM 0 HZ2 LYS A 74 28.096 14.456 -14.429 1.00 3.38 H new ATOM 0 HZ3 LYS A 74 27.313 15.680 -13.552 1.00 3.38 H new ATOM 914 N LEU A 75 27.137 8.664 -10.804 1.00 0.31 N ATOM 915 CA LEU A 75 27.739 7.370 -10.358 1.00 0.33 C ATOM 916 C LEU A 75 26.661 6.332 -10.132 1.00 0.25 C ATOM 917 O LEU A 75 26.712 5.551 -9.206 1.00 0.24 O ATOM 918 CB LEU A 75 28.449 7.622 -9.062 1.00 0.42 C ATOM 919 CG LEU A 75 29.368 8.825 -9.063 1.00 0.59 C ATOM 920 CD1 LEU A 75 29.791 8.938 -7.606 1.00 0.74 C ATOM 921 CD2 LEU A 75 30.555 8.551 -9.980 1.00 0.60 C ATOM 0 H LEU A 75 26.626 9.148 -10.066 1.00 0.31 H new ATOM 0 HA LEU A 75 28.423 6.999 -11.121 1.00 0.33 H new ATOM 0 HB2 LEU A 75 27.705 7.752 -8.276 1.00 0.42 H new ATOM 0 HB3 LEU A 75 29.032 6.738 -8.806 1.00 0.42 H new ATOM 0 HG LEU A 75 28.909 9.744 -9.427 1.00 0.59 H new ATOM 0 HD11 LEU A 75 30.466 9.786 -7.488 1.00 0.74 H new ATOM 0 HD12 LEU A 75 28.910 9.086 -6.982 1.00 0.74 H new ATOM 0 HD13 LEU A 75 30.301 8.023 -7.303 1.00 0.74 H new ATOM 0 HD21 LEU A 75 31.219 9.415 -9.983 1.00 0.60 H new ATOM 0 HD22 LEU A 75 31.098 7.677 -9.621 1.00 0.60 H new ATOM 0 HD23 LEU A 75 30.197 8.365 -10.993 1.00 0.60 H new ATOM 933 N ASP A 76 25.723 6.367 -11.010 1.00 0.23 N ATOM 934 CA ASP A 76 24.577 5.426 -10.944 1.00 0.23 C ATOM 935 C ASP A 76 24.161 4.939 -9.501 1.00 0.22 C ATOM 936 O ASP A 76 23.804 3.795 -9.272 1.00 0.23 O ATOM 937 CB ASP A 76 24.956 4.236 -11.918 1.00 0.28 C ATOM 938 CG ASP A 76 26.448 4.068 -12.251 1.00 0.31 C ATOM 939 OD1 ASP A 76 26.966 4.937 -12.935 1.00 1.51 O ATOM 940 OD2 ASP A 76 26.985 3.068 -11.805 1.00 1.17 O ATOM 0 H ASP A 76 25.693 7.020 -11.793 1.00 0.23 H new ATOM 0 HA ASP A 76 23.669 5.943 -11.253 1.00 0.23 H new ATOM 0 HB2 ASP A 76 24.599 3.306 -11.475 1.00 0.28 H new ATOM 0 HB3 ASP A 76 24.412 4.374 -12.852 1.00 0.28 H new ATOM 945 N ASN A 77 24.226 5.851 -8.554 1.00 0.22 N ATOM 946 CA ASN A 77 23.838 5.545 -7.144 1.00 0.21 C ATOM 947 C ASN A 77 22.566 6.386 -6.973 1.00 0.16 C ATOM 948 O ASN A 77 22.388 7.380 -7.657 1.00 0.16 O ATOM 949 CB ASN A 77 24.874 6.040 -6.121 1.00 0.24 C ATOM 950 CG ASN A 77 26.184 5.304 -6.249 1.00 1.37 C ATOM 951 OD1 ASN A 77 27.153 5.987 -6.756 1.00 2.69 O flip ATOM 952 ND2 ASN A 77 26.349 4.152 -5.908 1.00 1.14 N flip ATOM 0 H ASN A 77 24.538 6.810 -8.707 1.00 0.22 H new ATOM 0 HA ASN A 77 23.734 4.473 -6.977 1.00 0.21 H new ATOM 0 HB2 ASN A 77 25.042 7.108 -6.261 1.00 0.24 H new ATOM 0 HB3 ASN A 77 24.481 5.909 -5.113 1.00 0.24 H new ATOM 0 HD21 ASN A 77 25.574 3.623 -5.508 1.00 1.14 H new ATOM 0 HD22 ASN A 77 27.263 3.713 -6.021 1.00 1.14 H new ATOM 959 N ILE A 78 21.746 5.958 -6.064 1.00 0.16 N ATOM 960 CA ILE A 78 20.472 6.677 -5.809 1.00 0.11 C ATOM 961 C ILE A 78 20.705 8.007 -5.130 1.00 0.14 C ATOM 962 O ILE A 78 21.052 8.095 -3.969 1.00 0.20 O ATOM 963 CB ILE A 78 19.553 5.764 -4.941 1.00 0.13 C ATOM 964 CG1 ILE A 78 19.340 4.340 -5.559 1.00 0.21 C ATOM 965 CG2 ILE A 78 18.158 6.434 -4.775 1.00 0.08 C ATOM 966 CD1 ILE A 78 19.468 4.410 -7.088 1.00 0.25 C ATOM 0 H ILE A 78 21.903 5.135 -5.482 1.00 0.16 H new ATOM 0 HA ILE A 78 19.989 6.894 -6.762 1.00 0.11 H new ATOM 0 HB ILE A 78 20.056 5.642 -3.982 1.00 0.13 H new ATOM 0 HG12 ILE A 78 20.076 3.645 -5.155 1.00 0.21 H new ATOM 0 HG13 ILE A 78 18.357 3.958 -5.285 1.00 0.21 H new ATOM 0 HG21 ILE A 78 17.517 5.794 -4.168 1.00 0.08 H new ATOM 0 HG22 ILE A 78 18.275 7.401 -4.285 1.00 0.08 H new ATOM 0 HG23 ILE A 78 17.704 6.577 -5.756 1.00 0.08 H new ATOM 0 HD11 ILE A 78 19.319 3.417 -7.511 1.00 0.25 H new ATOM 0 HD12 ILE A 78 18.715 5.091 -7.485 1.00 0.25 H new ATOM 0 HD13 ILE A 78 20.461 4.772 -7.354 1.00 0.25 H new ATOM 978 N ALA A 79 20.474 9.000 -5.940 1.00 0.18 N ATOM 979 CA ALA A 79 20.622 10.424 -5.532 1.00 0.29 C ATOM 980 C ALA A 79 19.346 10.784 -4.744 1.00 0.40 C ATOM 981 O ALA A 79 19.382 11.496 -3.759 1.00 0.51 O ATOM 982 CB ALA A 79 20.795 11.211 -6.846 1.00 0.30 C ATOM 0 H ALA A 79 20.176 8.877 -6.908 1.00 0.18 H new ATOM 0 HA ALA A 79 21.473 10.646 -4.889 1.00 0.29 H new ATOM 0 HB1 ALA A 79 20.910 12.272 -6.622 1.00 0.30 H new ATOM 0 HB2 ALA A 79 21.681 10.853 -7.371 1.00 0.30 H new ATOM 0 HB3 ALA A 79 19.917 11.066 -7.475 1.00 0.30 H new ATOM 988 N GLN A 80 18.241 10.287 -5.218 1.00 0.39 N ATOM 989 CA GLN A 80 16.941 10.561 -4.521 1.00 0.51 C ATOM 990 C GLN A 80 16.020 9.395 -4.303 1.00 0.42 C ATOM 991 O GLN A 80 16.150 8.364 -4.916 1.00 0.36 O ATOM 992 CB GLN A 80 16.096 11.596 -5.258 1.00 0.73 C ATOM 993 CG GLN A 80 15.752 12.733 -4.243 1.00 0.90 C ATOM 994 CD GLN A 80 14.416 13.338 -4.636 1.00 1.91 C ATOM 995 OE1 GLN A 80 13.350 12.796 -4.410 1.00 3.15 O ATOM 996 NE2 GLN A 80 14.412 14.469 -5.235 1.00 1.76 N ATOM 0 H GLN A 80 18.174 9.705 -6.053 1.00 0.39 H new ATOM 0 HA GLN A 80 17.304 10.900 -3.551 1.00 0.51 H new ATOM 0 HB2 GLN A 80 16.641 11.997 -6.112 1.00 0.73 H new ATOM 0 HB3 GLN A 80 15.185 11.141 -5.646 1.00 0.73 H new ATOM 0 HG2 GLN A 80 15.705 12.335 -3.229 1.00 0.90 H new ATOM 0 HG3 GLN A 80 16.531 13.496 -4.250 1.00 0.90 H new ATOM 0 HE21 GLN A 80 15.293 14.943 -5.436 1.00 1.76 H new ATOM 0 HE22 GLN A 80 13.528 14.896 -5.512 1.00 1.76 H new ATOM 1005 N VAL A 81 15.097 9.636 -3.416 1.00 0.44 N ATOM 1006 CA VAL A 81 14.075 8.631 -3.046 1.00 0.38 C ATOM 1007 C VAL A 81 13.325 8.307 -4.357 1.00 0.41 C ATOM 1008 O VAL A 81 12.508 9.105 -4.798 1.00 0.50 O ATOM 1009 CB VAL A 81 13.145 9.261 -2.023 1.00 0.42 C ATOM 1010 CG1 VAL A 81 12.069 8.228 -1.627 1.00 0.44 C ATOM 1011 CG2 VAL A 81 13.905 9.822 -0.809 1.00 0.43 C ATOM 0 H VAL A 81 15.010 10.522 -2.917 1.00 0.44 H new ATOM 0 HA VAL A 81 14.493 7.724 -2.609 1.00 0.38 H new ATOM 0 HB VAL A 81 12.654 10.125 -2.470 1.00 0.42 H new ATOM 0 HG11 VAL A 81 11.395 8.668 -0.893 1.00 0.44 H new ATOM 0 HG12 VAL A 81 11.502 7.936 -2.511 1.00 0.44 H new ATOM 0 HG13 VAL A 81 12.549 7.349 -1.197 1.00 0.44 H new ATOM 0 HG21 VAL A 81 13.196 10.261 -0.107 1.00 0.43 H new ATOM 0 HG22 VAL A 81 14.451 9.017 -0.317 1.00 0.43 H new ATOM 0 HG23 VAL A 81 14.608 10.586 -1.141 1.00 0.43 H new ATOM 1021 N PRO A 82 13.610 7.179 -4.965 1.00 0.35 N ATOM 1022 CA PRO A 82 13.020 6.875 -6.288 1.00 0.41 C ATOM 1023 C PRO A 82 11.560 6.492 -5.902 1.00 0.48 C ATOM 1024 O PRO A 82 11.322 5.989 -4.809 1.00 0.49 O ATOM 1025 CB PRO A 82 14.010 5.799 -6.771 1.00 0.35 C ATOM 1026 CG PRO A 82 14.246 4.984 -5.519 1.00 0.28 C ATOM 1027 CD PRO A 82 14.485 6.080 -4.466 1.00 0.25 C ATOM 0 HA PRO A 82 12.918 7.598 -7.097 1.00 0.41 H new ATOM 0 HB2 PRO A 82 13.591 5.194 -7.576 1.00 0.35 H new ATOM 0 HB3 PRO A 82 14.933 6.238 -7.149 1.00 0.35 H new ATOM 0 HG2 PRO A 82 13.388 4.359 -5.271 1.00 0.28 H new ATOM 0 HG3 PRO A 82 15.105 4.320 -5.620 1.00 0.28 H new ATOM 0 HD2 PRO A 82 14.201 5.754 -3.465 1.00 0.25 H new ATOM 0 HD3 PRO A 82 15.532 6.380 -4.419 1.00 0.25 H new ATOM 1035 N ARG A 83 10.630 6.749 -6.782 1.00 0.51 N ATOM 1036 CA ARG A 83 9.196 6.432 -6.479 1.00 0.56 C ATOM 1037 C ARG A 83 8.340 5.844 -7.584 1.00 0.50 C ATOM 1038 O ARG A 83 8.556 6.094 -8.757 1.00 0.56 O ATOM 1039 CB ARG A 83 8.515 7.719 -5.998 1.00 0.51 C ATOM 1040 CG ARG A 83 9.297 8.233 -4.800 1.00 0.50 C ATOM 1041 CD ARG A 83 8.609 9.400 -4.181 1.00 0.52 C ATOM 1042 NE ARG A 83 9.325 9.539 -2.879 1.00 1.16 N ATOM 1043 CZ ARG A 83 10.123 10.485 -2.607 1.00 1.87 C ATOM 1044 NH1 ARG A 83 10.962 10.804 -3.515 1.00 2.43 N ATOM 1045 NH2 ARG A 83 9.976 10.983 -1.451 1.00 2.46 N ATOM 0 H ARG A 83 10.797 7.165 -7.698 1.00 0.51 H new ATOM 0 HA ARG A 83 9.259 5.635 -5.738 1.00 0.56 H new ATOM 0 HB2 ARG A 83 8.499 8.464 -6.793 1.00 0.51 H new ATOM 0 HB3 ARG A 83 7.478 7.524 -5.723 1.00 0.51 H new ATOM 0 HG2 ARG A 83 9.407 7.437 -4.063 1.00 0.50 H new ATOM 0 HG3 ARG A 83 10.301 8.520 -5.112 1.00 0.50 H new ATOM 0 HD2 ARG A 83 8.701 10.297 -4.793 1.00 0.52 H new ATOM 0 HD3 ARG A 83 7.544 9.217 -4.041 1.00 0.52 H new ATOM 0 HE ARG A 83 9.162 8.829 -2.165 1.00 1.16 H new ATOM 0 HH11 ARG A 83 10.966 10.304 -4.404 1.00 2.43 H new ATOM 0 HH12 ARG A 83 11.629 11.558 -3.351 1.00 2.43 H new ATOM 0 HH21 ARG A 83 9.258 10.617 -0.826 1.00 2.46 H new ATOM 0 HH22 ARG A 83 10.576 11.750 -1.146 1.00 2.46 H new ATOM 1059 N VAL A 84 7.389 5.086 -7.127 1.00 0.53 N ATOM 1060 CA VAL A 84 6.435 4.426 -8.048 1.00 0.44 C ATOM 1061 C VAL A 84 5.914 5.358 -9.159 1.00 0.47 C ATOM 1062 O VAL A 84 6.112 5.247 -10.358 1.00 1.07 O ATOM 1063 CB VAL A 84 5.295 3.910 -7.169 1.00 0.24 C ATOM 1064 CG1 VAL A 84 4.187 3.437 -8.042 1.00 0.15 C ATOM 1065 CG2 VAL A 84 5.755 2.695 -6.433 1.00 0.30 C ATOM 0 H VAL A 84 7.231 4.894 -6.138 1.00 0.53 H new ATOM 0 HA VAL A 84 6.932 3.619 -8.586 1.00 0.44 H new ATOM 0 HB VAL A 84 4.984 4.709 -6.496 1.00 0.24 H new ATOM 0 HG11 VAL A 84 3.369 3.067 -7.424 1.00 0.15 H new ATOM 0 HG12 VAL A 84 3.831 4.263 -8.658 1.00 0.15 H new ATOM 0 HG13 VAL A 84 4.548 2.634 -8.685 1.00 0.15 H new ATOM 0 HG21 VAL A 84 4.946 2.322 -5.804 1.00 0.30 H new ATOM 0 HG22 VAL A 84 6.044 1.924 -7.148 1.00 0.30 H new ATOM 0 HG23 VAL A 84 6.611 2.950 -5.809 1.00 0.30 H new ATOM 1075 N GLY A 85 5.265 6.298 -8.560 1.00 0.45 N ATOM 1076 CA GLY A 85 4.575 7.410 -9.246 1.00 0.71 C ATOM 1077 C GLY A 85 5.497 8.596 -9.490 1.00 1.13 C ATOM 1078 O GLY A 85 5.330 9.613 -8.832 1.00 1.74 O ATOM 1079 OXT GLY A 85 6.342 8.397 -10.349 1.00 1.71 O ATOM 0 H GLY A 85 5.180 6.342 -7.545 1.00 0.45 H new ATOM 0 HA2 GLY A 85 4.180 7.057 -10.199 1.00 0.71 H new ATOM 0 HA3 GLY A 85 3.723 7.732 -8.647 1.00 0.71 H new TER 1083 GLY A 85