USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 566 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 22 THR OG1 : rot -55:sc= -4.88! USER MOD Set 1.2: A 56 MET CE :methyl -173:sc= -5.15! (180deg=-4.43!) USER MOD Set 2.1: A 7 THR OG1 : rot 47:sc= -0.0753 USER MOD Set 2.2: A 69 MET CE :methyl 180:sc= -0.0113 (180deg=-0.0113) USER MOD Single : A 2 GLN : amide:sc= -0.0382 K(o=-0.038,f=-1.1!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 13:sc= 0.816 USER MOD Single : A 17 THR OG1 : rot 158:sc= -1.95 USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 0.132 (180deg=0.0322) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= -2.15! C(o=-2.2!,f=-4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0885 X(o=-0.088,f=-0.15) USER MOD Single : A 53 SER OG : rot -54:sc= 0.00976 USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= 0.834 (180deg=0.691) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 79:sc= 1.09 USER MOD Single : A 60 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.11) USER MOD Single : A 62 GLN : amide:sc= -0.0257 K(o=-0.026,f=-1.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -70:sc= -1.21 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.0123 F(o=-0.53,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 1.785 -2.187 -1.131 1.00 30.12 N ATOM 19 CA GLN A 2 2.424 -3.492 -1.250 1.00 21.33 C ATOM 20 C GLN A 2 2.235 -4.065 -2.650 1.00 72.53 C ATOM 21 O GLN A 2 1.231 -3.796 -3.311 1.00 64.11 O ATOM 22 CB GLN A 2 1.856 -4.459 -0.209 1.00 54.32 C ATOM 23 CG GLN A 2 0.455 -4.951 -0.537 1.00 63.12 C ATOM 24 CD GLN A 2 -0.217 -5.626 0.642 1.00 12.11 C ATOM 25 OE1 GLN A 2 0.020 -5.267 1.796 1.00 51.43 O ATOM 26 NE2 GLN A 2 -1.062 -6.610 0.358 1.00 33.13 N ATOM 0 HA GLN A 2 3.491 -3.363 -1.071 1.00 21.33 H new ATOM 0 HB2 GLN A 2 2.522 -5.317 -0.121 1.00 54.32 H new ATOM 0 HB3 GLN A 2 1.841 -3.966 0.763 1.00 54.32 H new ATOM 0 HG2 GLN A 2 -0.154 -4.109 -0.864 1.00 63.12 H new ATOM 0 HG3 GLN A 2 0.506 -5.651 -1.371 1.00 63.12 H new ATOM 0 HE21 GLN A 2 -1.229 -6.875 -0.613 1.00 33.13 H new ATOM 0 HE22 GLN A 2 -1.544 -7.101 1.111 1.00 33.13 H new ATOM 35 N ILE A 3 3.205 -4.856 -3.097 1.00 30.14 N ATOM 36 CA ILE A 3 3.144 -5.467 -4.418 1.00 62.54 C ATOM 37 C ILE A 3 3.046 -6.986 -4.318 1.00 1.12 C ATOM 38 O ILE A 3 3.205 -7.559 -3.240 1.00 23.02 O ATOM 39 CB ILE A 3 4.376 -5.099 -5.266 1.00 51.13 C ATOM 40 CG1 ILE A 3 5.644 -5.690 -4.647 1.00 70.10 C ATOM 41 CG2 ILE A 3 4.497 -3.588 -5.395 1.00 5.11 C ATOM 42 CD1 ILE A 3 6.899 -5.385 -5.434 1.00 24.41 C ATOM 0 H ILE A 3 4.042 -5.088 -2.563 1.00 30.14 H new ATOM 0 HA ILE A 3 2.249 -5.079 -4.904 1.00 62.54 H new ATOM 0 HB ILE A 3 4.252 -5.521 -6.263 1.00 51.13 H new ATOM 0 HG12 ILE A 3 5.758 -5.305 -3.634 1.00 70.10 H new ATOM 0 HG13 ILE A 3 5.529 -6.771 -4.566 1.00 70.10 H new ATOM 0 HG21 ILE A 3 5.372 -3.343 -5.997 1.00 5.11 H new ATOM 0 HG22 ILE A 3 3.603 -3.191 -5.876 1.00 5.11 H new ATOM 0 HG23 ILE A 3 4.603 -3.146 -4.404 1.00 5.11 H new ATOM 0 HD11 ILE A 3 7.758 -5.835 -4.937 1.00 24.41 H new ATOM 0 HD12 ILE A 3 6.806 -5.794 -6.440 1.00 24.41 H new ATOM 0 HD13 ILE A 3 7.038 -4.306 -5.493 1.00 24.41 H new ATOM 54 N PHE A 4 2.785 -7.633 -5.449 1.00 12.32 N ATOM 55 CA PHE A 4 2.666 -9.086 -5.489 1.00 4.41 C ATOM 56 C PHE A 4 3.753 -9.696 -6.370 1.00 13.32 C ATOM 57 O PHE A 4 3.976 -9.251 -7.496 1.00 53.31 O ATOM 58 CB PHE A 4 1.285 -9.492 -6.008 1.00 4.24 C ATOM 59 CG PHE A 4 0.151 -8.893 -5.226 1.00 24.14 C ATOM 60 CD1 PHE A 4 0.170 -8.895 -3.840 1.00 64.32 C ATOM 61 CD2 PHE A 4 -0.934 -8.328 -5.876 1.00 70.51 C ATOM 62 CE1 PHE A 4 -0.871 -8.345 -3.118 1.00 13.24 C ATOM 63 CE2 PHE A 4 -1.978 -7.776 -5.159 1.00 33.22 C ATOM 64 CZ PHE A 4 -1.948 -7.785 -3.778 1.00 24.40 C ATOM 0 H PHE A 4 2.652 -7.174 -6.350 1.00 12.32 H new ATOM 0 HA PHE A 4 2.790 -9.464 -4.474 1.00 4.41 H new ATOM 0 HB2 PHE A 4 1.195 -9.191 -7.052 1.00 4.24 H new ATOM 0 HB3 PHE A 4 1.200 -10.578 -5.981 1.00 4.24 H new ATOM 0 HD1 PHE A 4 1.009 -9.332 -3.318 1.00 64.32 H new ATOM 0 HD2 PHE A 4 -0.964 -8.319 -6.956 1.00 70.51 H new ATOM 0 HE1 PHE A 4 -0.843 -8.353 -2.038 1.00 13.24 H new ATOM 0 HE2 PHE A 4 -2.817 -7.338 -5.678 1.00 33.22 H new ATOM 0 HZ PHE A 4 -2.764 -7.356 -3.216 1.00 24.40 H new ATOM 74 N ILE A 5 4.425 -10.716 -5.848 1.00 61.12 N ATOM 75 CA ILE A 5 5.487 -11.388 -6.587 1.00 4.43 C ATOM 76 C ILE A 5 5.231 -12.888 -6.676 1.00 70.11 C ATOM 77 O ILE A 5 5.011 -13.553 -5.664 1.00 34.23 O ATOM 78 CB ILE A 5 6.863 -11.151 -5.935 1.00 35.12 C ATOM 79 CG1 ILE A 5 7.178 -9.655 -5.886 1.00 54.42 C ATOM 80 CG2 ILE A 5 7.945 -11.901 -6.696 1.00 24.53 C ATOM 81 CD1 ILE A 5 6.843 -9.009 -4.559 1.00 63.55 C ATOM 0 H ILE A 5 4.253 -11.095 -4.917 1.00 61.12 H new ATOM 0 HA ILE A 5 5.491 -10.963 -7.591 1.00 4.43 H new ATOM 0 HB ILE A 5 6.835 -11.530 -4.914 1.00 35.12 H new ATOM 0 HG12 ILE A 5 8.238 -9.508 -6.095 1.00 54.42 H new ATOM 0 HG13 ILE A 5 6.624 -9.149 -6.677 1.00 54.42 H new ATOM 0 HG21 ILE A 5 8.911 -11.724 -6.224 1.00 24.53 H new ATOM 0 HG22 ILE A 5 7.725 -12.969 -6.683 1.00 24.53 H new ATOM 0 HG23 ILE A 5 7.975 -11.549 -7.727 1.00 24.53 H new ATOM 0 HD11 ILE A 5 7.093 -7.949 -4.597 1.00 63.55 H new ATOM 0 HD12 ILE A 5 5.778 -9.124 -4.357 1.00 63.55 H new ATOM 0 HD13 ILE A 5 7.417 -9.488 -3.766 1.00 63.55 H new ATOM 93 N LYS A 6 5.263 -13.417 -7.895 1.00 11.43 N ATOM 94 CA LYS A 6 5.037 -14.840 -8.118 1.00 43.33 C ATOM 95 C LYS A 6 6.345 -15.553 -8.447 1.00 50.33 C ATOM 96 O LYS A 6 7.098 -15.120 -9.321 1.00 30.15 O ATOM 97 CB LYS A 6 4.032 -15.046 -9.254 1.00 1.53 C ATOM 98 CG LYS A 6 3.600 -16.491 -9.429 1.00 22.10 C ATOM 99 CD LYS A 6 2.746 -16.671 -10.673 1.00 22.02 C ATOM 100 CE LYS A 6 2.769 -18.111 -11.161 1.00 34.52 C ATOM 101 NZ LYS A 6 1.657 -18.393 -12.110 1.00 54.24 N ATOM 0 H LYS A 6 5.443 -12.881 -8.744 1.00 11.43 H new ATOM 0 HA LYS A 6 4.631 -15.266 -7.201 1.00 43.33 H new ATOM 0 HB2 LYS A 6 3.151 -14.433 -9.064 1.00 1.53 H new ATOM 0 HB3 LYS A 6 4.472 -14.692 -10.186 1.00 1.53 H new ATOM 0 HG2 LYS A 6 4.481 -17.129 -9.496 1.00 22.10 H new ATOM 0 HG3 LYS A 6 3.039 -16.813 -8.552 1.00 22.10 H new ATOM 0 HD2 LYS A 6 1.719 -16.375 -10.457 1.00 22.02 H new ATOM 0 HD3 LYS A 6 3.108 -16.012 -11.462 1.00 22.02 H new ATOM 0 HE2 LYS A 6 3.723 -18.314 -11.648 1.00 34.52 H new ATOM 0 HE3 LYS A 6 2.698 -18.785 -10.307 1.00 34.52 H new ATOM 0 HZ1 LYS A 6 1.708 -19.385 -12.419 1.00 54.24 H new ATOM 0 HZ2 LYS A 6 0.746 -18.224 -11.638 1.00 54.24 H new ATOM 0 HZ3 LYS A 6 1.739 -17.768 -12.937 1.00 54.24 H new ATOM 115 N THR A 7 6.609 -16.649 -7.744 1.00 23.34 N ATOM 116 CA THR A 7 7.825 -17.422 -7.961 1.00 64.41 C ATOM 117 C THR A 7 7.567 -18.603 -8.890 1.00 24.31 C ATOM 118 O THR A 7 6.418 -18.941 -9.177 1.00 62.01 O ATOM 119 CB THR A 7 8.404 -17.945 -6.633 1.00 32.52 C ATOM 120 OG1 THR A 7 9.644 -18.620 -6.870 1.00 63.25 O ATOM 121 CG2 THR A 7 7.427 -18.893 -5.953 1.00 62.43 C ATOM 0 H THR A 7 5.996 -17.022 -7.019 1.00 23.34 H new ATOM 0 HA THR A 7 8.548 -16.750 -8.424 1.00 64.41 H new ATOM 0 HB THR A 7 8.576 -17.092 -5.977 1.00 32.52 H new ATOM 0 HG1 THR A 7 10.206 -18.074 -7.458 1.00 63.25 H new ATOM 0 HG21 THR A 7 7.858 -19.250 -5.017 1.00 62.43 H new ATOM 0 HG22 THR A 7 6.494 -18.368 -5.747 1.00 62.43 H new ATOM 0 HG23 THR A 7 7.228 -19.742 -6.607 1.00 62.43 H new ATOM 129 N LEU A 8 8.642 -19.229 -9.357 1.00 5.34 N ATOM 130 CA LEU A 8 8.532 -20.374 -10.253 1.00 64.14 C ATOM 131 C LEU A 8 7.727 -21.497 -9.607 1.00 3.44 C ATOM 132 O LEU A 8 7.134 -22.327 -10.296 1.00 14.14 O ATOM 133 CB LEU A 8 9.923 -20.883 -10.635 1.00 63.34 C ATOM 134 CG LEU A 8 9.964 -22.031 -11.645 1.00 50.44 C ATOM 135 CD1 LEU A 8 10.010 -21.490 -13.066 1.00 53.30 C ATOM 136 CD2 LEU A 8 11.159 -22.934 -11.378 1.00 72.31 C ATOM 0 H LEU A 8 9.600 -18.962 -9.130 1.00 5.34 H new ATOM 0 HA LEU A 8 8.010 -20.050 -11.153 1.00 64.14 H new ATOM 0 HB2 LEU A 8 10.495 -20.048 -11.041 1.00 63.34 H new ATOM 0 HB3 LEU A 8 10.432 -21.206 -9.727 1.00 63.34 H new ATOM 0 HG LEU A 8 9.055 -22.622 -11.532 1.00 50.44 H new ATOM 0 HD11 LEU A 8 10.039 -22.321 -13.771 1.00 53.30 H new ATOM 0 HD12 LEU A 8 9.123 -20.885 -13.254 1.00 53.30 H new ATOM 0 HD13 LEU A 8 10.901 -20.876 -13.193 1.00 53.30 H new ATOM 0 HD21 LEU A 8 11.172 -23.745 -12.106 1.00 72.31 H new ATOM 0 HD22 LEU A 8 12.079 -22.355 -11.463 1.00 72.31 H new ATOM 0 HD23 LEU A 8 11.084 -23.350 -10.373 1.00 72.31 H new ATOM 148 N THR A 9 7.709 -21.515 -8.277 1.00 63.23 N ATOM 149 CA THR A 9 6.976 -22.534 -7.537 1.00 65.51 C ATOM 150 C THR A 9 5.478 -22.253 -7.550 1.00 64.02 C ATOM 151 O THR A 9 4.677 -23.086 -7.130 1.00 74.45 O ATOM 152 CB THR A 9 7.458 -22.623 -6.077 1.00 32.15 C ATOM 153 OG1 THR A 9 8.889 -22.606 -6.030 1.00 51.15 O ATOM 154 CG2 THR A 9 6.939 -23.889 -5.412 1.00 21.14 C ATOM 0 H THR A 9 8.194 -20.835 -7.691 1.00 63.23 H new ATOM 0 HA THR A 9 7.168 -23.485 -8.034 1.00 65.51 H new ATOM 0 HB THR A 9 7.068 -21.761 -5.536 1.00 32.15 H new ATOM 0 HG1 THR A 9 9.186 -22.661 -5.098 1.00 51.15 H new ATOM 0 HG21 THR A 9 7.292 -23.930 -4.382 1.00 21.14 H new ATOM 0 HG22 THR A 9 5.849 -23.885 -5.422 1.00 21.14 H new ATOM 0 HG23 THR A 9 7.303 -24.761 -5.955 1.00 21.14 H new ATOM 162 N GLY A 10 5.107 -21.072 -8.036 1.00 73.40 N ATOM 163 CA GLY A 10 3.705 -20.703 -8.095 1.00 54.42 C ATOM 164 C GLY A 10 3.175 -20.222 -6.759 1.00 0.51 C ATOM 165 O GLY A 10 1.973 -20.283 -6.500 1.00 71.10 O ATOM 0 H GLY A 10 5.752 -20.365 -8.389 1.00 73.40 H new ATOM 0 HA2 GLY A 10 3.570 -19.918 -8.840 1.00 54.42 H new ATOM 0 HA3 GLY A 10 3.120 -21.561 -8.427 1.00 54.42 H new ATOM 169 N LYS A 11 4.074 -19.742 -5.906 1.00 31.21 N ATOM 170 CA LYS A 11 3.692 -19.249 -4.588 1.00 50.31 C ATOM 171 C LYS A 11 3.546 -17.730 -4.597 1.00 24.31 C ATOM 172 O LYS A 11 4.286 -17.029 -5.289 1.00 15.14 O ATOM 173 CB LYS A 11 4.730 -19.666 -3.544 1.00 30.11 C ATOM 174 CG LYS A 11 4.240 -19.535 -2.112 1.00 54.54 C ATOM 175 CD LYS A 11 5.163 -20.248 -1.139 1.00 33.00 C ATOM 176 CE LYS A 11 4.868 -21.739 -1.082 1.00 73.12 C ATOM 177 NZ LYS A 11 5.203 -22.321 0.247 1.00 0.41 N ATOM 0 H LYS A 11 5.073 -19.684 -6.104 1.00 31.21 H new ATOM 0 HA LYS A 11 2.729 -19.688 -4.329 1.00 50.31 H new ATOM 0 HB2 LYS A 11 5.021 -20.701 -3.726 1.00 30.11 H new ATOM 0 HB3 LYS A 11 5.625 -19.056 -3.670 1.00 30.11 H new ATOM 0 HG2 LYS A 11 4.173 -18.480 -1.845 1.00 54.54 H new ATOM 0 HG3 LYS A 11 3.235 -19.949 -2.031 1.00 54.54 H new ATOM 0 HD2 LYS A 11 6.199 -20.092 -1.438 1.00 33.00 H new ATOM 0 HD3 LYS A 11 5.050 -19.815 -0.145 1.00 33.00 H new ATOM 0 HE2 LYS A 11 3.813 -21.909 -1.297 1.00 73.12 H new ATOM 0 HE3 LYS A 11 5.438 -22.252 -1.857 1.00 73.12 H new ATOM 0 HZ1 LYS A 11 4.988 -23.338 0.245 1.00 0.41 H new ATOM 0 HZ2 LYS A 11 6.215 -22.182 0.442 1.00 0.41 H new ATOM 0 HZ3 LYS A 11 4.641 -21.850 0.984 1.00 0.41 H new ATOM 191 N THR A 12 2.590 -17.227 -3.823 1.00 35.41 N ATOM 192 CA THR A 12 2.348 -15.793 -3.741 1.00 54.55 C ATOM 193 C THR A 12 3.189 -15.155 -2.642 1.00 45.55 C ATOM 194 O THR A 12 3.208 -15.630 -1.507 1.00 31.12 O ATOM 195 CB THR A 12 0.861 -15.488 -3.476 1.00 42.43 C ATOM 196 OG1 THR A 12 0.053 -16.049 -4.516 1.00 73.41 O ATOM 197 CG2 THR A 12 0.623 -13.987 -3.396 1.00 35.41 C ATOM 0 H THR A 12 1.970 -17.793 -3.243 1.00 35.41 H new ATOM 0 HA THR A 12 2.632 -15.370 -4.704 1.00 54.55 H new ATOM 0 HB THR A 12 0.585 -15.936 -2.521 1.00 42.43 H new ATOM 0 HG1 THR A 12 -0.891 -15.852 -4.339 1.00 73.41 H new ATOM 0 HG21 THR A 12 -0.434 -13.796 -3.208 1.00 35.41 H new ATOM 0 HG22 THR A 12 1.218 -13.567 -2.585 1.00 35.41 H new ATOM 0 HG23 THR A 12 0.914 -13.522 -4.338 1.00 35.41 H new ATOM 205 N ILE A 13 3.884 -14.076 -2.987 1.00 3.41 N ATOM 206 CA ILE A 13 4.727 -13.372 -2.028 1.00 13.21 C ATOM 207 C ILE A 13 4.319 -11.907 -1.909 1.00 61.22 C ATOM 208 O ILE A 13 4.520 -11.118 -2.833 1.00 53.11 O ATOM 209 CB ILE A 13 6.214 -13.449 -2.422 1.00 14.12 C ATOM 210 CG1 ILE A 13 6.607 -14.894 -2.733 1.00 71.42 C ATOM 211 CG2 ILE A 13 7.086 -12.885 -1.310 1.00 51.43 C ATOM 212 CD1 ILE A 13 8.054 -15.052 -3.144 1.00 41.34 C ATOM 0 H ILE A 13 3.880 -13.670 -3.923 1.00 3.41 H new ATOM 0 HA ILE A 13 4.589 -13.865 -1.065 1.00 13.21 H new ATOM 0 HB ILE A 13 6.369 -12.849 -3.319 1.00 14.12 H new ATOM 0 HG12 ILE A 13 6.418 -15.510 -1.854 1.00 71.42 H new ATOM 0 HG13 ILE A 13 5.968 -15.272 -3.531 1.00 71.42 H new ATOM 0 HG21 ILE A 13 8.134 -12.946 -1.603 1.00 51.43 H new ATOM 0 HG22 ILE A 13 6.819 -11.843 -1.131 1.00 51.43 H new ATOM 0 HG23 ILE A 13 6.930 -13.461 -0.398 1.00 51.43 H new ATOM 0 HD11 ILE A 13 8.261 -16.102 -3.349 1.00 41.34 H new ATOM 0 HD12 ILE A 13 8.244 -14.463 -4.041 1.00 41.34 H new ATOM 0 HD13 ILE A 13 8.701 -14.705 -2.338 1.00 41.34 H new ATOM 224 N THR A 14 3.747 -11.549 -0.764 1.00 54.31 N ATOM 225 CA THR A 14 3.311 -10.179 -0.523 1.00 42.12 C ATOM 226 C THR A 14 4.083 -9.552 0.632 1.00 12.13 C ATOM 227 O THR A 14 4.068 -10.064 1.751 1.00 12.22 O ATOM 228 CB THR A 14 1.804 -10.115 -0.214 1.00 14.14 C ATOM 229 OG1 THR A 14 1.552 -10.619 1.103 1.00 70.23 O ATOM 230 CG2 THR A 14 1.008 -10.918 -1.231 1.00 33.51 C ATOM 0 H THR A 14 3.575 -12.189 0.011 1.00 54.31 H new ATOM 0 HA THR A 14 3.510 -9.618 -1.436 1.00 42.12 H new ATOM 0 HB THR A 14 1.488 -9.073 -0.270 1.00 14.14 H new ATOM 0 HG1 THR A 14 2.398 -10.697 1.591 1.00 70.23 H new ATOM 0 HG21 THR A 14 -0.054 -10.858 -0.992 1.00 33.51 H new ATOM 0 HG22 THR A 14 1.179 -10.513 -2.228 1.00 33.51 H new ATOM 0 HG23 THR A 14 1.328 -11.960 -1.203 1.00 33.51 H new ATOM 238 N ALA A 15 4.756 -8.440 0.354 1.00 30.31 N ATOM 239 CA ALA A 15 5.531 -7.742 1.372 1.00 44.13 C ATOM 240 C ALA A 15 5.916 -6.342 0.904 1.00 23.42 C ATOM 241 O ALA A 15 6.274 -6.143 -0.256 1.00 50.31 O ATOM 242 CB ALA A 15 6.775 -8.542 1.729 1.00 44.12 C ATOM 0 H ALA A 15 4.780 -8.004 -0.568 1.00 30.31 H new ATOM 0 HA ALA A 15 4.910 -7.642 2.262 1.00 44.13 H new ATOM 0 HB1 ALA A 15 7.344 -8.009 2.490 1.00 44.12 H new ATOM 0 HB2 ALA A 15 6.482 -9.519 2.113 1.00 44.12 H new ATOM 0 HB3 ALA A 15 7.392 -8.672 0.840 1.00 44.12 H new ATOM 248 N GLU A 16 5.840 -5.377 1.815 1.00 34.11 N ATOM 249 CA GLU A 16 6.179 -3.996 1.494 1.00 50.21 C ATOM 250 C GLU A 16 7.692 -3.809 1.426 1.00 11.13 C ATOM 251 O GLU A 16 8.440 -4.417 2.193 1.00 73.11 O ATOM 252 CB GLU A 16 5.583 -3.046 2.534 1.00 14.43 C ATOM 253 CG GLU A 16 6.133 -3.254 3.935 1.00 0.12 C ATOM 254 CD GLU A 16 5.534 -2.295 4.946 1.00 43.02 C ATOM 255 OE1 GLU A 16 4.783 -1.388 4.530 1.00 72.44 O ATOM 256 OE2 GLU A 16 5.817 -2.451 6.152 1.00 1.50 O ATOM 0 H GLU A 16 5.547 -5.526 2.781 1.00 34.11 H new ATOM 0 HA GLU A 16 5.757 -3.763 0.516 1.00 50.21 H new ATOM 0 HB2 GLU A 16 5.775 -2.018 2.227 1.00 14.43 H new ATOM 0 HB3 GLU A 16 4.501 -3.176 2.555 1.00 14.43 H new ATOM 0 HG2 GLU A 16 5.935 -4.278 4.250 1.00 0.12 H new ATOM 0 HG3 GLU A 16 7.216 -3.129 3.918 1.00 0.12 H new ATOM 263 N THR A 17 8.137 -2.963 0.502 1.00 2.14 N ATOM 264 CA THR A 17 9.560 -2.696 0.332 1.00 31.33 C ATOM 265 C THR A 17 9.846 -1.199 0.361 1.00 70.34 C ATOM 266 O THR A 17 8.928 -0.385 0.448 1.00 12.21 O ATOM 267 CB THR A 17 10.087 -3.283 -0.991 1.00 22.34 C ATOM 268 OG1 THR A 17 11.518 -3.227 -1.016 1.00 32.13 O ATOM 269 CG2 THR A 17 9.524 -2.524 -2.182 1.00 52.12 C ATOM 0 H THR A 17 7.532 -2.451 -0.140 1.00 2.14 H new ATOM 0 HA THR A 17 10.074 -3.177 1.164 1.00 31.33 H new ATOM 0 HB THR A 17 9.763 -4.322 -1.057 1.00 22.34 H new ATOM 0 HG1 THR A 17 11.860 -3.889 -1.653 1.00 32.13 H new ATOM 0 HG21 THR A 17 9.910 -2.957 -3.105 1.00 52.12 H new ATOM 0 HG22 THR A 17 8.436 -2.593 -2.176 1.00 52.12 H new ATOM 0 HG23 THR A 17 9.821 -1.477 -2.120 1.00 52.12 H new ATOM 277 N GLU A 18 11.125 -0.844 0.285 1.00 31.33 N ATOM 278 CA GLU A 18 11.530 0.556 0.303 1.00 44.34 C ATOM 279 C GLU A 18 11.638 1.109 -1.116 1.00 0.03 C ATOM 280 O GLU A 18 12.099 0.436 -2.038 1.00 55.01 O ATOM 281 CB GLU A 18 12.870 0.714 1.026 1.00 75.40 C ATOM 282 CG GLU A 18 12.744 0.742 2.540 1.00 52.11 C ATOM 283 CD GLU A 18 13.973 1.317 3.217 1.00 51.23 C ATOM 284 OE1 GLU A 18 14.514 0.654 4.126 1.00 34.33 O ATOM 285 OE2 GLU A 18 14.394 2.430 2.837 1.00 31.24 O ATOM 0 H GLU A 18 11.897 -1.506 0.210 1.00 31.33 H new ATOM 0 HA GLU A 18 10.767 1.121 0.839 1.00 44.34 H new ATOM 0 HB2 GLU A 18 13.527 -0.107 0.739 1.00 75.40 H new ATOM 0 HB3 GLU A 18 13.347 1.635 0.692 1.00 75.40 H new ATOM 0 HG2 GLU A 18 11.871 1.333 2.817 1.00 52.11 H new ATOM 0 HG3 GLU A 18 12.573 -0.271 2.905 1.00 52.11 H new ATOM 292 N PRO A 19 11.203 2.365 -1.295 1.00 75.14 N ATOM 293 CA PRO A 19 11.239 3.037 -2.598 1.00 21.32 C ATOM 294 C PRO A 19 12.661 3.362 -3.043 1.00 31.14 C ATOM 295 O PRO A 19 12.884 3.791 -4.174 1.00 3.51 O ATOM 296 CB PRO A 19 10.447 4.324 -2.355 1.00 60.13 C ATOM 297 CG PRO A 19 10.577 4.579 -0.893 1.00 44.24 C ATOM 298 CD PRO A 19 10.641 3.226 -0.241 1.00 24.12 C ATOM 0 HA PRO A 19 10.829 2.412 -3.391 1.00 21.32 H new ATOM 0 HB2 PRO A 19 10.849 5.152 -2.939 1.00 60.13 H new ATOM 0 HB3 PRO A 19 9.403 4.207 -2.645 1.00 60.13 H new ATOM 0 HG2 PRO A 19 11.474 5.159 -0.676 1.00 44.24 H new ATOM 0 HG3 PRO A 19 9.728 5.152 -0.520 1.00 44.24 H new ATOM 0 HD2 PRO A 19 11.272 3.238 0.647 1.00 24.12 H new ATOM 0 HD3 PRO A 19 9.655 2.884 0.073 1.00 24.12 H new ATOM 306 N ALA A 20 13.619 3.154 -2.145 1.00 71.44 N ATOM 307 CA ALA A 20 15.019 3.422 -2.447 1.00 4.41 C ATOM 308 C ALA A 20 15.727 2.164 -2.938 1.00 33.33 C ATOM 309 O ALA A 20 16.701 2.240 -3.686 1.00 14.42 O ATOM 310 CB ALA A 20 15.725 3.983 -1.221 1.00 22.41 C ATOM 0 H ALA A 20 13.451 2.801 -1.203 1.00 71.44 H new ATOM 0 HA ALA A 20 15.057 4.163 -3.246 1.00 4.41 H new ATOM 0 HB1 ALA A 20 16.770 4.179 -1.461 1.00 22.41 H new ATOM 0 HB2 ALA A 20 15.243 4.912 -0.916 1.00 22.41 H new ATOM 0 HB3 ALA A 20 15.669 3.261 -0.406 1.00 22.41 H new ATOM 316 N GLU A 21 15.230 1.007 -2.511 1.00 22.32 N ATOM 317 CA GLU A 21 15.817 -0.268 -2.907 1.00 31.13 C ATOM 318 C GLU A 21 14.782 -1.388 -2.839 1.00 41.44 C ATOM 319 O GLU A 21 14.713 -2.127 -1.857 1.00 72.21 O ATOM 320 CB GLU A 21 17.009 -0.606 -2.010 1.00 25.44 C ATOM 321 CG GLU A 21 18.328 -0.044 -2.513 1.00 3.14 C ATOM 322 CD GLU A 21 19.503 -0.443 -1.641 1.00 21.02 C ATOM 323 OE1 GLU A 21 19.379 -1.440 -0.899 1.00 33.11 O ATOM 324 OE2 GLU A 21 20.546 0.241 -1.700 1.00 40.00 O ATOM 0 H GLU A 21 14.423 0.926 -1.892 1.00 22.32 H new ATOM 0 HA GLU A 21 16.161 -0.176 -3.937 1.00 31.13 H new ATOM 0 HB2 GLU A 21 16.819 -0.222 -1.008 1.00 25.44 H new ATOM 0 HB3 GLU A 21 17.094 -1.689 -1.926 1.00 25.44 H new ATOM 0 HG2 GLU A 21 18.502 -0.391 -3.531 1.00 3.14 H new ATOM 0 HG3 GLU A 21 18.263 1.043 -2.554 1.00 3.14 H new ATOM 331 N THR A 22 13.978 -1.506 -3.891 1.00 72.23 N ATOM 332 CA THR A 22 12.945 -2.533 -3.952 1.00 65.12 C ATOM 333 C THR A 22 13.548 -3.902 -4.244 1.00 65.40 C ATOM 334 O THR A 22 13.045 -4.925 -3.780 1.00 72.50 O ATOM 335 CB THR A 22 11.893 -2.208 -5.029 1.00 32.33 C ATOM 336 OG1 THR A 22 10.700 -2.964 -4.791 1.00 13.41 O ATOM 337 CG2 THR A 22 12.427 -2.519 -6.419 1.00 11.31 C ATOM 0 H THR A 22 14.022 -0.903 -4.712 1.00 72.23 H new ATOM 0 HA THR A 22 12.461 -2.553 -2.976 1.00 65.12 H new ATOM 0 HB THR A 22 11.666 -1.143 -4.974 1.00 32.33 H new ATOM 0 HG1 THR A 22 10.921 -3.918 -4.744 1.00 13.41 H new ATOM 0 HG21 THR A 22 11.666 -2.281 -7.163 1.00 11.31 H new ATOM 0 HG22 THR A 22 13.319 -1.921 -6.608 1.00 11.31 H new ATOM 0 HG23 THR A 22 12.679 -3.577 -6.483 1.00 11.31 H new ATOM 345 N VAL A 23 14.631 -3.915 -5.016 1.00 32.04 N ATOM 346 CA VAL A 23 15.304 -5.159 -5.368 1.00 21.41 C ATOM 347 C VAL A 23 16.107 -5.702 -4.191 1.00 71.11 C ATOM 348 O VAL A 23 15.944 -6.856 -3.795 1.00 12.45 O ATOM 349 CB VAL A 23 16.245 -4.967 -6.572 1.00 41.00 C ATOM 350 CG1 VAL A 23 16.976 -6.262 -6.891 1.00 72.32 C ATOM 351 CG2 VAL A 23 15.467 -4.472 -7.782 1.00 21.01 C ATOM 0 H VAL A 23 15.060 -3.077 -5.409 1.00 32.04 H new ATOM 0 HA VAL A 23 14.526 -5.875 -5.635 1.00 21.41 H new ATOM 0 HB VAL A 23 16.988 -4.213 -6.313 1.00 41.00 H new ATOM 0 HG11 VAL A 23 17.636 -6.107 -7.744 1.00 72.32 H new ATOM 0 HG12 VAL A 23 17.566 -6.569 -6.027 1.00 72.32 H new ATOM 0 HG13 VAL A 23 16.251 -7.040 -7.130 1.00 72.32 H new ATOM 0 HG21 VAL A 23 16.147 -4.342 -8.624 1.00 21.01 H new ATOM 0 HG22 VAL A 23 14.700 -5.201 -8.045 1.00 21.01 H new ATOM 0 HG23 VAL A 23 14.995 -3.518 -7.546 1.00 21.01 H new ATOM 361 N ALA A 24 16.975 -4.862 -3.636 1.00 75.12 N ATOM 362 CA ALA A 24 17.802 -5.257 -2.503 1.00 15.45 C ATOM 363 C ALA A 24 16.947 -5.799 -1.362 1.00 11.21 C ATOM 364 O ALA A 24 17.251 -6.845 -0.789 1.00 22.03 O ATOM 365 CB ALA A 24 18.638 -4.079 -2.024 1.00 52.13 C ATOM 0 H ALA A 24 17.123 -3.904 -3.953 1.00 75.12 H new ATOM 0 HA ALA A 24 18.470 -6.053 -2.832 1.00 15.45 H new ATOM 0 HB1 ALA A 24 19.251 -4.388 -1.177 1.00 52.13 H new ATOM 0 HB2 ALA A 24 19.283 -3.738 -2.834 1.00 52.13 H new ATOM 0 HB3 ALA A 24 17.980 -3.266 -1.718 1.00 52.13 H new ATOM 371 N ASP A 25 15.878 -5.081 -1.037 1.00 55.22 N ATOM 372 CA ASP A 25 14.978 -5.490 0.035 1.00 23.43 C ATOM 373 C ASP A 25 14.428 -6.890 -0.222 1.00 1.14 C ATOM 374 O ASP A 25 14.226 -7.670 0.710 1.00 11.21 O ATOM 375 CB ASP A 25 13.827 -4.493 0.173 1.00 74.52 C ATOM 376 CG ASP A 25 14.087 -3.452 1.243 1.00 44.53 C ATOM 377 OD1 ASP A 25 13.117 -3.021 1.901 1.00 42.20 O ATOM 378 OD2 ASP A 25 15.262 -3.067 1.422 1.00 32.55 O ATOM 0 H ASP A 25 15.613 -4.212 -1.501 1.00 55.22 H new ATOM 0 HA ASP A 25 15.545 -5.507 0.965 1.00 23.43 H new ATOM 0 HB2 ASP A 25 13.666 -3.995 -0.783 1.00 74.52 H new ATOM 0 HB3 ASP A 25 12.910 -5.032 0.410 1.00 74.52 H new ATOM 383 N LEU A 26 14.187 -7.201 -1.490 1.00 71.42 N ATOM 384 CA LEU A 26 13.659 -8.507 -1.870 1.00 72.04 C ATOM 385 C LEU A 26 14.751 -9.571 -1.824 1.00 41.33 C ATOM 386 O LEU A 26 14.562 -10.647 -1.256 1.00 52.43 O ATOM 387 CB LEU A 26 13.051 -8.445 -3.273 1.00 13.44 C ATOM 388 CG LEU A 26 11.548 -8.710 -3.365 1.00 33.41 C ATOM 389 CD1 LEU A 26 11.216 -10.093 -2.824 1.00 51.52 C ATOM 390 CD2 LEU A 26 10.770 -7.641 -2.613 1.00 13.53 C ATOM 0 H LEU A 26 14.349 -6.567 -2.273 1.00 71.42 H new ATOM 0 HA LEU A 26 12.882 -8.779 -1.155 1.00 72.04 H new ATOM 0 HB2 LEU A 26 13.252 -7.459 -3.691 1.00 13.44 H new ATOM 0 HB3 LEU A 26 13.567 -9.170 -3.903 1.00 13.44 H new ATOM 0 HG LEU A 26 11.256 -8.672 -4.414 1.00 33.41 H new ATOM 0 HD11 LEU A 26 10.142 -10.264 -2.897 1.00 51.52 H new ATOM 0 HD12 LEU A 26 11.744 -10.848 -3.406 1.00 51.52 H new ATOM 0 HD13 LEU A 26 11.523 -10.159 -1.780 1.00 51.52 H new ATOM 0 HD21 LEU A 26 9.702 -7.846 -2.690 1.00 13.53 H new ATOM 0 HD22 LEU A 26 11.066 -7.646 -1.564 1.00 13.53 H new ATOM 0 HD23 LEU A 26 10.983 -6.664 -3.046 1.00 13.53 H new ATOM 402 N LYS A 27 15.896 -9.262 -2.424 1.00 72.10 N ATOM 403 CA LYS A 27 17.021 -10.189 -2.449 1.00 41.03 C ATOM 404 C LYS A 27 17.414 -10.607 -1.036 1.00 12.43 C ATOM 405 O LYS A 27 17.591 -11.792 -0.757 1.00 4.14 O ATOM 406 CB LYS A 27 18.219 -9.550 -3.155 1.00 42.20 C ATOM 407 CG LYS A 27 17.909 -9.064 -4.560 1.00 62.24 C ATOM 408 CD LYS A 27 19.018 -9.429 -5.534 1.00 34.14 C ATOM 409 CE LYS A 27 20.041 -8.311 -5.658 1.00 12.52 C ATOM 410 NZ LYS A 27 21.281 -8.767 -6.344 1.00 21.10 N ATOM 0 H LYS A 27 16.069 -8.376 -2.900 1.00 72.10 H new ATOM 0 HA LYS A 27 16.714 -11.078 -2.999 1.00 41.03 H new ATOM 0 HB2 LYS A 27 18.575 -8.710 -2.559 1.00 42.20 H new ATOM 0 HB3 LYS A 27 19.032 -10.275 -3.201 1.00 42.20 H new ATOM 0 HG2 LYS A 27 16.969 -9.500 -4.898 1.00 62.24 H new ATOM 0 HG3 LYS A 27 17.773 -7.983 -4.550 1.00 62.24 H new ATOM 0 HD2 LYS A 27 19.513 -10.341 -5.199 1.00 34.14 H new ATOM 0 HD3 LYS A 27 18.589 -9.641 -6.513 1.00 34.14 H new ATOM 0 HE2 LYS A 27 19.605 -7.479 -6.211 1.00 12.52 H new ATOM 0 HE3 LYS A 27 20.292 -7.937 -4.666 1.00 12.52 H new ATOM 0 HZ1 LYS A 27 22.073 -8.147 -6.078 1.00 21.10 H new ATOM 0 HZ2 LYS A 27 21.496 -9.744 -6.060 1.00 21.10 H new ATOM 0 HZ3 LYS A 27 21.142 -8.729 -7.374 1.00 21.10 H new ATOM 424 N GLN A 28 17.546 -9.626 -0.149 1.00 0.51 N ATOM 425 CA GLN A 28 17.917 -9.893 1.236 1.00 52.13 C ATOM 426 C GLN A 28 16.913 -10.833 1.896 1.00 5.52 C ATOM 427 O GLN A 28 17.259 -11.589 2.804 1.00 2.43 O ATOM 428 CB GLN A 28 18.004 -8.585 2.024 1.00 2.01 C ATOM 429 CG GLN A 28 18.479 -8.769 3.456 1.00 2.54 C ATOM 430 CD GLN A 28 18.578 -7.457 4.211 1.00 20.51 C ATOM 431 OE1 GLN A 28 17.591 -6.969 4.762 1.00 21.22 O ATOM 432 NE2 GLN A 28 19.773 -6.879 4.240 1.00 22.51 N ATOM 0 H GLN A 28 17.402 -8.640 -0.364 1.00 0.51 H new ATOM 0 HA GLN A 28 18.895 -10.375 1.238 1.00 52.13 H new ATOM 0 HB2 GLN A 28 18.683 -7.905 1.509 1.00 2.01 H new ATOM 0 HB3 GLN A 28 17.023 -8.110 2.033 1.00 2.01 H new ATOM 0 HG2 GLN A 28 17.793 -9.434 3.980 1.00 2.54 H new ATOM 0 HG3 GLN A 28 19.454 -9.256 3.452 1.00 2.54 H new ATOM 0 HE21 GLN A 28 20.564 -7.319 3.769 1.00 22.51 H new ATOM 0 HE22 GLN A 28 19.900 -5.995 4.733 1.00 22.51 H new ATOM 441 N LYS A 29 15.669 -10.780 1.435 1.00 54.32 N ATOM 442 CA LYS A 29 14.614 -11.626 1.979 1.00 33.34 C ATOM 443 C LYS A 29 14.927 -13.101 1.750 1.00 23.45 C ATOM 444 O LYS A 29 14.903 -13.903 2.685 1.00 4.32 O ATOM 445 CB LYS A 29 13.268 -11.275 1.340 1.00 4.22 C ATOM 446 CG LYS A 29 12.086 -11.450 2.277 1.00 74.42 C ATOM 447 CD LYS A 29 11.522 -12.859 2.205 1.00 75.54 C ATOM 448 CE LYS A 29 10.680 -13.059 0.954 1.00 73.53 C ATOM 449 NZ LYS A 29 9.885 -14.318 1.015 1.00 4.40 N ATOM 0 H LYS A 29 15.366 -10.159 0.685 1.00 54.32 H new ATOM 0 HA LYS A 29 14.557 -11.446 3.053 1.00 33.34 H new ATOM 0 HB2 LYS A 29 13.298 -10.241 0.995 1.00 4.22 H new ATOM 0 HB3 LYS A 29 13.119 -11.901 0.460 1.00 4.22 H new ATOM 0 HG2 LYS A 29 12.396 -11.233 3.299 1.00 74.42 H new ATOM 0 HG3 LYS A 29 11.307 -10.732 2.020 1.00 74.42 H new ATOM 0 HD2 LYS A 29 12.339 -13.580 2.214 1.00 75.54 H new ATOM 0 HD3 LYS A 29 10.915 -13.055 3.089 1.00 75.54 H new ATOM 0 HE2 LYS A 29 10.007 -12.210 0.830 1.00 73.53 H new ATOM 0 HE3 LYS A 29 11.330 -13.082 0.079 1.00 73.53 H new ATOM 0 HZ1 LYS A 29 9.325 -14.418 0.144 1.00 4.40 H new ATOM 0 HZ2 LYS A 29 10.528 -15.130 1.108 1.00 4.40 H new ATOM 0 HZ3 LYS A 29 9.247 -14.286 1.835 1.00 4.40 H new ATOM 463 N ILE A 30 15.222 -13.452 0.503 1.00 21.33 N ATOM 464 CA ILE A 30 15.543 -14.830 0.154 1.00 70.54 C ATOM 465 C ILE A 30 16.946 -15.204 0.621 1.00 53.22 C ATOM 466 O ILE A 30 17.200 -16.345 1.005 1.00 13.01 O ATOM 467 CB ILE A 30 15.441 -15.064 -1.365 1.00 73.32 C ATOM 468 CG1 ILE A 30 14.034 -14.725 -1.862 1.00 11.31 C ATOM 469 CG2 ILE A 30 15.795 -16.504 -1.704 1.00 72.54 C ATOM 470 CD1 ILE A 30 13.881 -13.288 -2.309 1.00 4.31 C ATOM 0 H ILE A 30 15.245 -12.801 -0.282 1.00 21.33 H new ATOM 0 HA ILE A 30 14.814 -15.462 0.661 1.00 70.54 H new ATOM 0 HB ILE A 30 16.152 -14.408 -1.867 1.00 73.32 H new ATOM 0 HG12 ILE A 30 13.782 -15.384 -2.693 1.00 11.31 H new ATOM 0 HG13 ILE A 30 13.318 -14.928 -1.066 1.00 11.31 H new ATOM 0 HG21 ILE A 30 15.718 -16.654 -2.781 1.00 72.54 H new ATOM 0 HG22 ILE A 30 16.814 -16.714 -1.380 1.00 72.54 H new ATOM 0 HG23 ILE A 30 15.106 -17.178 -1.194 1.00 72.54 H new ATOM 0 HD11 ILE A 30 12.859 -13.119 -2.648 1.00 4.31 H new ATOM 0 HD12 ILE A 30 14.101 -12.622 -1.475 1.00 4.31 H new ATOM 0 HD13 ILE A 30 14.573 -13.086 -3.127 1.00 4.31 H new ATOM 482 N ALA A 31 17.853 -14.233 0.586 1.00 32.24 N ATOM 483 CA ALA A 31 19.229 -14.459 1.010 1.00 42.51 C ATOM 484 C ALA A 31 19.282 -15.027 2.424 1.00 45.11 C ATOM 485 O ALA A 31 19.964 -16.020 2.679 1.00 71.13 O ATOM 486 CB ALA A 31 20.025 -13.164 0.929 1.00 70.21 C ATOM 0 H ALA A 31 17.660 -13.283 0.269 1.00 32.24 H new ATOM 0 HA ALA A 31 19.675 -15.190 0.336 1.00 42.51 H new ATOM 0 HB1 ALA A 31 21.051 -13.347 1.248 1.00 70.21 H new ATOM 0 HB2 ALA A 31 20.024 -12.800 -0.098 1.00 70.21 H new ATOM 0 HB3 ALA A 31 19.570 -12.416 1.579 1.00 70.21 H new ATOM 492 N ASP A 32 18.560 -14.391 3.340 1.00 44.24 N ATOM 493 CA ASP A 32 18.525 -14.834 4.729 1.00 42.43 C ATOM 494 C ASP A 32 17.636 -16.063 4.885 1.00 54.13 C ATOM 495 O ASP A 32 17.778 -16.829 5.838 1.00 13.22 O ATOM 496 CB ASP A 32 18.023 -13.707 5.633 1.00 52.01 C ATOM 497 CG ASP A 32 19.105 -12.695 5.953 1.00 63.10 C ATOM 498 OD1 ASP A 32 18.760 -11.561 6.347 1.00 23.10 O ATOM 499 OD2 ASP A 32 20.298 -13.037 5.810 1.00 34.32 O ATOM 0 H ASP A 32 17.991 -13.567 3.146 1.00 44.24 H new ATOM 0 HA ASP A 32 19.539 -15.102 5.025 1.00 42.43 H new ATOM 0 HB2 ASP A 32 17.188 -13.201 5.148 1.00 52.01 H new ATOM 0 HB3 ASP A 32 17.642 -14.132 6.561 1.00 52.01 H new ATOM 504 N LYS A 33 16.717 -16.245 3.942 1.00 32.44 N ATOM 505 CA LYS A 33 15.803 -17.381 3.974 1.00 61.32 C ATOM 506 C LYS A 33 16.532 -18.675 3.626 1.00 32.53 C ATOM 507 O LYS A 33 16.367 -19.691 4.301 1.00 33.11 O ATOM 508 CB LYS A 33 14.645 -17.158 2.998 1.00 2.13 C ATOM 509 CG LYS A 33 13.622 -18.280 3.002 1.00 71.34 C ATOM 510 CD LYS A 33 12.564 -18.067 4.071 1.00 20.33 C ATOM 511 CE LYS A 33 13.023 -18.595 5.422 1.00 73.41 C ATOM 512 NZ LYS A 33 11.874 -18.882 6.325 1.00 73.23 N ATOM 0 H LYS A 33 16.586 -15.620 3.146 1.00 32.44 H new ATOM 0 HA LYS A 33 15.406 -17.468 4.986 1.00 61.32 H new ATOM 0 HB2 LYS A 33 14.146 -16.222 3.247 1.00 2.13 H new ATOM 0 HB3 LYS A 33 15.046 -17.047 1.991 1.00 2.13 H new ATOM 0 HG2 LYS A 33 13.145 -18.342 2.024 1.00 71.34 H new ATOM 0 HG3 LYS A 33 14.125 -19.232 3.172 1.00 71.34 H new ATOM 0 HD2 LYS A 33 12.336 -17.004 4.153 1.00 20.33 H new ATOM 0 HD3 LYS A 33 11.642 -18.569 3.777 1.00 20.33 H new ATOM 0 HE2 LYS A 33 13.607 -19.504 5.277 1.00 73.41 H new ATOM 0 HE3 LYS A 33 13.681 -17.865 5.893 1.00 73.41 H new ATOM 0 HZ1 LYS A 33 12.228 -19.240 7.235 1.00 73.23 H new ATOM 0 HZ2 LYS A 33 11.331 -18.009 6.484 1.00 73.23 H new ATOM 0 HZ3 LYS A 33 11.259 -19.598 5.888 1.00 73.23 H new ATOM 526 N GLU A 34 17.339 -18.630 2.571 1.00 73.12 N ATOM 527 CA GLU A 34 18.093 -19.800 2.136 1.00 53.14 C ATOM 528 C GLU A 34 19.571 -19.655 2.484 1.00 43.52 C ATOM 529 O GLU A 34 20.413 -20.403 1.990 1.00 61.43 O ATOM 530 CB GLU A 34 17.930 -20.007 0.628 1.00 23.23 C ATOM 531 CG GLU A 34 16.689 -20.799 0.253 1.00 11.20 C ATOM 532 CD GLU A 34 15.455 -20.340 1.006 1.00 71.34 C ATOM 533 OE1 GLU A 34 14.814 -19.367 0.556 1.00 22.00 O ATOM 534 OE2 GLU A 34 15.130 -20.954 2.044 1.00 42.35 O ATOM 0 H GLU A 34 17.488 -17.797 2.002 1.00 73.12 H new ATOM 0 HA GLU A 34 17.698 -20.671 2.660 1.00 53.14 H new ATOM 0 HB2 GLU A 34 17.891 -19.034 0.138 1.00 23.23 H new ATOM 0 HB3 GLU A 34 18.810 -20.523 0.243 1.00 23.23 H new ATOM 0 HG2 GLU A 34 16.512 -20.705 -0.818 1.00 11.20 H new ATOM 0 HG3 GLU A 34 16.862 -21.856 0.456 1.00 11.20 H new ATOM 541 N GLY A 35 19.880 -18.684 3.338 1.00 15.35 N ATOM 542 CA GLY A 35 21.256 -18.456 3.738 1.00 20.40 C ATOM 543 C GLY A 35 22.190 -18.328 2.551 1.00 4.34 C ATOM 544 O GLY A 35 23.355 -18.720 2.623 1.00 20.15 O ATOM 0 H GLY A 35 19.201 -18.051 3.760 1.00 15.35 H new ATOM 0 HA2 GLY A 35 21.311 -17.549 4.339 1.00 20.40 H new ATOM 0 HA3 GLY A 35 21.588 -19.279 4.371 1.00 20.40 H new ATOM 548 N VAL A 36 21.679 -17.778 1.455 1.00 43.55 N ATOM 549 CA VAL A 36 22.476 -17.599 0.247 1.00 51.34 C ATOM 550 C VAL A 36 22.724 -16.121 -0.034 1.00 5.10 C ATOM 551 O VAL A 36 21.972 -15.247 0.396 1.00 53.31 O ATOM 552 CB VAL A 36 21.790 -18.234 -0.977 1.00 52.14 C ATOM 553 CG1 VAL A 36 21.955 -19.746 -0.958 1.00 2.15 C ATOM 554 CG2 VAL A 36 20.318 -17.851 -1.021 1.00 43.13 C ATOM 0 H VAL A 36 20.717 -17.448 1.378 1.00 43.55 H new ATOM 0 HA VAL A 36 23.429 -18.098 0.420 1.00 51.34 H new ATOM 0 HB VAL A 36 22.269 -17.852 -1.878 1.00 52.14 H new ATOM 0 HG11 VAL A 36 21.464 -20.177 -1.831 1.00 2.15 H new ATOM 0 HG12 VAL A 36 23.016 -19.997 -0.978 1.00 2.15 H new ATOM 0 HG13 VAL A 36 21.504 -20.150 -0.052 1.00 2.15 H new ATOM 0 HG21 VAL A 36 19.849 -18.308 -1.892 1.00 43.13 H new ATOM 0 HG22 VAL A 36 19.823 -18.203 -0.116 1.00 43.13 H new ATOM 0 HG23 VAL A 36 20.226 -16.767 -1.087 1.00 43.13 H new ATOM 564 N PRO A 37 23.806 -15.833 -0.773 1.00 50.23 N ATOM 565 CA PRO A 37 24.179 -14.461 -1.129 1.00 52.52 C ATOM 566 C PRO A 37 23.209 -13.837 -2.127 1.00 43.23 C ATOM 567 O PRO A 37 22.619 -14.533 -2.953 1.00 61.32 O ATOM 568 CB PRO A 37 25.565 -14.622 -1.759 1.00 54.41 C ATOM 569 CG PRO A 37 25.587 -16.020 -2.272 1.00 43.13 C ATOM 570 CD PRO A 37 24.748 -16.825 -1.319 1.00 53.41 C ATOM 0 HA PRO A 37 24.163 -13.797 -0.265 1.00 52.52 H new ATOM 0 HB2 PRO A 37 25.720 -13.903 -2.563 1.00 54.41 H new ATOM 0 HB3 PRO A 37 26.355 -14.457 -1.026 1.00 54.41 H new ATOM 0 HG2 PRO A 37 25.185 -16.071 -3.284 1.00 43.13 H new ATOM 0 HG3 PRO A 37 26.606 -16.404 -2.314 1.00 43.13 H new ATOM 0 HD2 PRO A 37 24.227 -17.636 -1.828 1.00 53.41 H new ATOM 0 HD3 PRO A 37 25.354 -17.278 -0.534 1.00 53.41 H new ATOM 578 N VAL A 38 23.050 -12.520 -2.046 1.00 54.41 N ATOM 579 CA VAL A 38 22.153 -11.802 -2.944 1.00 15.53 C ATOM 580 C VAL A 38 22.645 -11.872 -4.385 1.00 11.12 C ATOM 581 O VAL A 38 21.855 -11.790 -5.326 1.00 25.30 O ATOM 582 CB VAL A 38 22.012 -10.324 -2.532 1.00 54.14 C ATOM 583 CG1 VAL A 38 21.308 -10.208 -1.189 1.00 23.23 C ATOM 584 CG2 VAL A 38 23.375 -9.651 -2.489 1.00 42.15 C ATOM 0 H VAL A 38 23.530 -11.929 -1.368 1.00 54.41 H new ATOM 0 HA VAL A 38 21.179 -12.286 -2.872 1.00 15.53 H new ATOM 0 HB VAL A 38 21.404 -9.813 -3.279 1.00 54.14 H new ATOM 0 HG11 VAL A 38 21.218 -9.157 -0.915 1.00 23.23 H new ATOM 0 HG12 VAL A 38 20.315 -10.651 -1.259 1.00 23.23 H new ATOM 0 HG13 VAL A 38 21.886 -10.733 -0.429 1.00 23.23 H new ATOM 0 HG21 VAL A 38 23.257 -8.608 -2.196 1.00 42.15 H new ATOM 0 HG22 VAL A 38 24.010 -10.161 -1.765 1.00 42.15 H new ATOM 0 HG23 VAL A 38 23.837 -9.701 -3.475 1.00 42.15 H new ATOM 594 N ASP A 39 23.954 -12.024 -4.550 1.00 21.31 N ATOM 595 CA ASP A 39 24.553 -12.107 -5.877 1.00 71.51 C ATOM 596 C ASP A 39 24.034 -13.327 -6.632 1.00 33.21 C ATOM 597 O ASP A 39 24.064 -13.366 -7.862 1.00 30.45 O ATOM 598 CB ASP A 39 26.077 -12.170 -5.769 1.00 43.42 C ATOM 599 CG ASP A 39 26.546 -13.248 -4.812 1.00 45.32 C ATOM 600 OD1 ASP A 39 27.299 -12.919 -3.871 1.00 35.45 O ATOM 601 OD2 ASP A 39 26.161 -14.420 -5.004 1.00 51.33 O ATOM 0 H ASP A 39 24.621 -12.092 -3.781 1.00 21.31 H new ATOM 0 HA ASP A 39 24.272 -11.212 -6.432 1.00 71.51 H new ATOM 0 HB2 ASP A 39 26.501 -12.355 -6.756 1.00 43.42 H new ATOM 0 HB3 ASP A 39 26.455 -11.203 -5.436 1.00 43.42 H new ATOM 606 N GLN A 40 23.559 -14.320 -5.887 1.00 24.34 N ATOM 607 CA GLN A 40 23.036 -15.542 -6.486 1.00 54.23 C ATOM 608 C GLN A 40 21.540 -15.417 -6.758 1.00 21.13 C ATOM 609 O GLN A 40 20.972 -16.195 -7.523 1.00 64.45 O ATOM 610 CB GLN A 40 23.302 -16.739 -5.572 1.00 10.22 C ATOM 611 CG GLN A 40 23.481 -18.049 -6.321 1.00 75.23 C ATOM 612 CD GLN A 40 24.765 -18.091 -7.126 1.00 33.02 C ATOM 613 OE1 GLN A 40 25.719 -17.370 -6.832 1.00 54.22 O ATOM 614 NE2 GLN A 40 24.796 -18.938 -8.148 1.00 21.43 N ATOM 0 H GLN A 40 23.526 -14.302 -4.868 1.00 24.34 H new ATOM 0 HA GLN A 40 23.548 -15.699 -7.435 1.00 54.23 H new ATOM 0 HB2 GLN A 40 24.197 -16.543 -4.981 1.00 10.22 H new ATOM 0 HB3 GLN A 40 22.474 -16.841 -4.871 1.00 10.22 H new ATOM 0 HG2 GLN A 40 23.476 -18.874 -5.609 1.00 75.23 H new ATOM 0 HG3 GLN A 40 22.633 -18.200 -6.989 1.00 75.23 H new ATOM 0 HE21 GLN A 40 23.982 -19.517 -8.356 1.00 21.43 H new ATOM 0 HE22 GLN A 40 25.634 -19.010 -8.725 1.00 21.43 H new ATOM 623 N GLN A 41 20.909 -14.434 -6.125 1.00 13.34 N ATOM 624 CA GLN A 41 19.479 -14.209 -6.298 1.00 15.42 C ATOM 625 C GLN A 41 19.222 -13.003 -7.196 1.00 70.10 C ATOM 626 O GLN A 41 19.675 -11.895 -6.908 1.00 52.05 O ATOM 627 CB GLN A 41 18.806 -14.000 -4.940 1.00 34.30 C ATOM 628 CG GLN A 41 18.933 -15.194 -4.008 1.00 62.51 C ATOM 629 CD GLN A 41 17.903 -16.269 -4.292 1.00 73.43 C ATOM 630 OE1 GLN A 41 16.718 -15.980 -4.465 1.00 23.02 O ATOM 631 NE2 GLN A 41 18.349 -17.519 -4.343 1.00 31.00 N ATOM 0 H GLN A 41 21.365 -13.781 -5.488 1.00 13.34 H new ATOM 0 HA GLN A 41 19.053 -15.092 -6.775 1.00 15.42 H new ATOM 0 HB2 GLN A 41 19.243 -13.125 -4.458 1.00 34.30 H new ATOM 0 HB3 GLN A 41 17.749 -13.783 -5.097 1.00 34.30 H new ATOM 0 HG2 GLN A 41 19.932 -15.619 -4.103 1.00 62.51 H new ATOM 0 HG3 GLN A 41 18.827 -14.858 -2.977 1.00 62.51 H new ATOM 0 HE21 GLN A 41 19.339 -17.714 -4.194 1.00 31.00 H new ATOM 0 HE22 GLN A 41 17.701 -18.284 -4.531 1.00 31.00 H new ATOM 640 N ARG A 42 18.493 -13.227 -8.285 1.00 25.02 N ATOM 641 CA ARG A 42 18.178 -12.159 -9.226 1.00 62.20 C ATOM 642 C ARG A 42 16.700 -12.187 -9.604 1.00 41.50 C ATOM 643 O ARG A 42 16.164 -13.229 -9.982 1.00 61.13 O ATOM 644 CB ARG A 42 19.040 -12.288 -10.484 1.00 34.24 C ATOM 645 CG ARG A 42 19.643 -10.972 -10.946 1.00 23.11 C ATOM 646 CD ARG A 42 20.031 -11.023 -12.415 1.00 44.13 C ATOM 647 NE ARG A 42 21.388 -10.530 -12.641 1.00 15.24 N ATOM 648 CZ ARG A 42 22.481 -11.217 -12.329 1.00 33.05 C ATOM 649 NH1 ARG A 42 22.378 -12.420 -11.781 1.00 74.33 N ATOM 650 NH2 ARG A 42 23.680 -10.701 -12.564 1.00 41.13 N ATOM 0 H ARG A 42 18.110 -14.138 -8.537 1.00 25.02 H new ATOM 0 HA ARG A 42 18.394 -11.206 -8.742 1.00 62.20 H new ATOM 0 HB2 ARG A 42 19.844 -12.999 -10.292 1.00 34.24 H new ATOM 0 HB3 ARG A 42 18.433 -12.703 -11.289 1.00 34.24 H new ATOM 0 HG2 ARG A 42 18.927 -10.166 -10.785 1.00 23.11 H new ATOM 0 HG3 ARG A 42 20.522 -10.742 -10.344 1.00 23.11 H new ATOM 0 HD2 ARG A 42 19.954 -12.049 -12.775 1.00 44.13 H new ATOM 0 HD3 ARG A 42 19.327 -10.427 -12.997 1.00 44.13 H new ATOM 0 HE ARG A 42 21.502 -9.608 -13.061 1.00 15.24 H new ATOM 0 HH11 ARG A 42 21.458 -12.820 -11.598 1.00 74.33 H new ATOM 0 HH12 ARG A 42 23.219 -12.945 -11.542 1.00 74.33 H new ATOM 0 HH21 ARG A 42 23.763 -9.776 -12.985 1.00 41.13 H new ATOM 0 HH22 ARG A 42 24.519 -11.230 -12.324 1.00 41.13 H new ATOM 664 N LEU A 43 16.047 -11.035 -9.499 1.00 14.24 N ATOM 665 CA LEU A 43 14.630 -10.926 -9.829 1.00 32.02 C ATOM 666 C LEU A 43 14.440 -10.533 -11.290 1.00 50.52 C ATOM 667 O LEU A 43 15.308 -9.898 -11.890 1.00 64.52 O ATOM 668 CB LEU A 43 13.952 -9.899 -8.920 1.00 75.41 C ATOM 669 CG LEU A 43 14.428 -9.870 -7.468 1.00 4.14 C ATOM 670 CD1 LEU A 43 13.601 -8.887 -6.654 1.00 10.10 C ATOM 671 CD2 LEU A 43 14.360 -11.262 -6.856 1.00 4.44 C ATOM 0 H LEU A 43 16.476 -10.163 -9.188 1.00 14.24 H new ATOM 0 HA LEU A 43 14.169 -11.901 -9.672 1.00 32.02 H new ATOM 0 HB2 LEU A 43 14.101 -8.909 -9.350 1.00 75.41 H new ATOM 0 HB3 LEU A 43 12.879 -10.091 -8.926 1.00 75.41 H new ATOM 0 HG LEU A 43 15.466 -9.539 -7.453 1.00 4.14 H new ATOM 0 HD11 LEU A 43 13.955 -8.880 -5.623 1.00 10.10 H new ATOM 0 HD12 LEU A 43 13.701 -7.888 -7.079 1.00 10.10 H new ATOM 0 HD13 LEU A 43 12.553 -9.187 -6.676 1.00 10.10 H new ATOM 0 HD21 LEU A 43 14.703 -11.222 -5.822 1.00 4.44 H new ATOM 0 HD22 LEU A 43 13.331 -11.622 -6.884 1.00 4.44 H new ATOM 0 HD23 LEU A 43 14.997 -11.940 -7.423 1.00 4.44 H new ATOM 683 N ILE A 44 13.299 -10.911 -11.856 1.00 12.21 N ATOM 684 CA ILE A 44 12.994 -10.594 -13.246 1.00 30.43 C ATOM 685 C ILE A 44 11.565 -10.082 -13.392 1.00 43.42 C ATOM 686 O ILE A 44 10.649 -10.567 -12.728 1.00 41.40 O ATOM 687 CB ILE A 44 13.183 -11.822 -14.157 1.00 50.50 C ATOM 688 CG1 ILE A 44 14.610 -12.360 -14.035 1.00 31.04 C ATOM 689 CG2 ILE A 44 12.869 -11.462 -15.602 1.00 12.15 C ATOM 690 CD1 ILE A 44 14.851 -13.621 -14.835 1.00 52.53 C ATOM 0 H ILE A 44 12.570 -11.437 -11.374 1.00 12.21 H new ATOM 0 HA ILE A 44 13.690 -9.813 -13.552 1.00 30.43 H new ATOM 0 HB ILE A 44 12.492 -12.602 -13.838 1.00 50.50 H new ATOM 0 HG12 ILE A 44 15.309 -11.591 -14.365 1.00 31.04 H new ATOM 0 HG13 ILE A 44 14.826 -12.558 -12.985 1.00 31.04 H new ATOM 0 HG21 ILE A 44 13.007 -12.339 -16.234 1.00 12.15 H new ATOM 0 HG22 ILE A 44 11.837 -11.120 -15.676 1.00 12.15 H new ATOM 0 HG23 ILE A 44 13.538 -10.668 -15.933 1.00 12.15 H new ATOM 0 HD11 ILE A 44 15.883 -13.945 -14.701 1.00 52.53 H new ATOM 0 HD12 ILE A 44 14.177 -14.405 -14.490 1.00 52.53 H new ATOM 0 HD13 ILE A 44 14.667 -13.423 -15.891 1.00 52.53 H new ATOM 702 N PHE A 45 11.382 -9.099 -14.268 1.00 1.12 N ATOM 703 CA PHE A 45 10.064 -8.520 -14.503 1.00 24.21 C ATOM 704 C PHE A 45 9.813 -8.328 -15.996 1.00 22.23 C ATOM 705 O PHE A 45 10.386 -7.437 -16.623 1.00 34.34 O ATOM 706 CB PHE A 45 9.935 -7.180 -13.776 1.00 24.00 C ATOM 707 CG PHE A 45 8.514 -6.724 -13.606 1.00 63.35 C ATOM 708 CD1 PHE A 45 7.741 -6.398 -14.709 1.00 4.40 C ATOM 709 CD2 PHE A 45 7.952 -6.622 -12.344 1.00 74.24 C ATOM 710 CE1 PHE A 45 6.433 -5.978 -14.557 1.00 22.35 C ATOM 711 CE2 PHE A 45 6.644 -6.204 -12.186 1.00 11.12 C ATOM 712 CZ PHE A 45 5.884 -5.880 -13.293 1.00 62.41 C ATOM 0 H PHE A 45 12.129 -8.687 -14.827 1.00 1.12 H new ATOM 0 HA PHE A 45 9.316 -9.210 -14.112 1.00 24.21 H new ATOM 0 HB2 PHE A 45 10.402 -7.262 -12.794 1.00 24.00 H new ATOM 0 HB3 PHE A 45 10.488 -6.421 -14.329 1.00 24.00 H new ATOM 0 HD1 PHE A 45 8.166 -6.473 -15.699 1.00 4.40 H new ATOM 0 HD2 PHE A 45 8.542 -6.872 -11.475 1.00 74.24 H new ATOM 0 HE1 PHE A 45 5.841 -5.727 -15.425 1.00 22.35 H new ATOM 0 HE2 PHE A 45 6.216 -6.131 -11.197 1.00 11.12 H new ATOM 0 HZ PHE A 45 4.863 -5.551 -13.171 1.00 62.41 H new ATOM 722 N ALA A 46 8.954 -9.171 -16.558 1.00 75.22 N ATOM 723 CA ALA A 46 8.625 -9.094 -17.976 1.00 71.22 C ATOM 724 C ALA A 46 9.885 -9.125 -18.834 1.00 61.22 C ATOM 725 O ALA A 46 9.932 -8.527 -19.908 1.00 54.21 O ATOM 726 CB ALA A 46 7.819 -7.836 -18.264 1.00 2.04 C ATOM 0 H ALA A 46 8.473 -9.915 -16.053 1.00 75.22 H new ATOM 0 HA ALA A 46 8.021 -9.965 -18.231 1.00 71.22 H new ATOM 0 HB1 ALA A 46 7.581 -7.792 -19.327 1.00 2.04 H new ATOM 0 HB2 ALA A 46 6.895 -7.855 -17.685 1.00 2.04 H new ATOM 0 HB3 ALA A 46 8.403 -6.958 -17.986 1.00 2.04 H new ATOM 732 N GLY A 47 10.907 -9.827 -18.352 1.00 53.24 N ATOM 733 CA GLY A 47 12.154 -9.922 -19.088 1.00 41.31 C ATOM 734 C GLY A 47 13.126 -8.816 -18.727 1.00 12.13 C ATOM 735 O GLY A 47 14.085 -8.559 -19.455 1.00 54.40 O ATOM 0 H GLY A 47 10.893 -10.331 -17.465 1.00 53.24 H new ATOM 0 HA2 GLY A 47 12.617 -10.888 -18.888 1.00 41.31 H new ATOM 0 HA3 GLY A 47 11.945 -9.883 -20.157 1.00 41.31 H new ATOM 739 N LYS A 48 12.878 -8.158 -17.599 1.00 42.12 N ATOM 740 CA LYS A 48 13.738 -7.073 -17.142 1.00 12.35 C ATOM 741 C LYS A 48 14.614 -7.526 -15.978 1.00 34.11 C ATOM 742 O LYS A 48 14.118 -8.075 -14.994 1.00 70.13 O ATOM 743 CB LYS A 48 12.893 -5.869 -16.719 1.00 13.12 C ATOM 744 CG LYS A 48 13.694 -4.588 -16.561 1.00 23.40 C ATOM 745 CD LYS A 48 14.037 -3.976 -17.908 1.00 41.54 C ATOM 746 CE LYS A 48 15.367 -3.239 -17.864 1.00 24.44 C ATOM 747 NZ LYS A 48 16.010 -3.173 -19.205 1.00 52.45 N ATOM 0 H LYS A 48 12.088 -8.357 -16.985 1.00 42.12 H new ATOM 0 HA LYS A 48 14.385 -6.783 -17.970 1.00 12.35 H new ATOM 0 HB2 LYS A 48 12.109 -5.708 -17.459 1.00 13.12 H new ATOM 0 HB3 LYS A 48 12.398 -6.097 -15.775 1.00 13.12 H new ATOM 0 HG2 LYS A 48 13.124 -3.872 -15.969 1.00 23.40 H new ATOM 0 HG3 LYS A 48 14.612 -4.797 -16.011 1.00 23.40 H new ATOM 0 HD2 LYS A 48 14.079 -4.760 -18.665 1.00 41.54 H new ATOM 0 HD3 LYS A 48 13.248 -3.286 -18.207 1.00 41.54 H new ATOM 0 HE2 LYS A 48 15.210 -2.229 -17.487 1.00 24.44 H new ATOM 0 HE3 LYS A 48 16.037 -3.740 -17.165 1.00 24.44 H new ATOM 0 HZ1 LYS A 48 16.914 -2.663 -19.132 1.00 52.45 H new ATOM 0 HZ2 LYS A 48 16.184 -4.137 -19.555 1.00 52.45 H new ATOM 0 HZ3 LYS A 48 15.383 -2.673 -19.867 1.00 52.45 H new ATOM 761 N GLN A 49 15.916 -7.291 -16.097 1.00 63.52 N ATOM 762 CA GLN A 49 16.860 -7.676 -15.054 1.00 51.30 C ATOM 763 C GLN A 49 16.823 -6.685 -13.895 1.00 61.10 C ATOM 764 O GLN A 49 17.365 -5.583 -13.989 1.00 2.01 O ATOM 765 CB GLN A 49 18.277 -7.759 -15.624 1.00 72.32 C ATOM 766 CG GLN A 49 18.497 -8.957 -16.535 1.00 14.25 C ATOM 767 CD GLN A 49 18.049 -8.697 -17.959 1.00 43.44 C ATOM 768 OE1 GLN A 49 18.519 -7.762 -18.609 1.00 14.53 O ATOM 769 NE2 GLN A 49 17.137 -9.525 -18.454 1.00 40.14 N ATOM 0 H GLN A 49 16.342 -6.836 -16.905 1.00 63.52 H new ATOM 0 HA GLN A 49 16.569 -8.657 -14.679 1.00 51.30 H new ATOM 0 HB2 GLN A 49 18.490 -6.846 -16.180 1.00 72.32 H new ATOM 0 HB3 GLN A 49 18.989 -7.804 -14.800 1.00 72.32 H new ATOM 0 HG2 GLN A 49 19.555 -9.221 -16.533 1.00 14.25 H new ATOM 0 HG3 GLN A 49 17.954 -9.815 -16.138 1.00 14.25 H new ATOM 0 HE21 GLN A 49 16.775 -10.287 -17.880 1.00 40.14 H new ATOM 0 HE22 GLN A 49 16.799 -9.400 -19.408 1.00 40.14 H new ATOM 778 N LEU A 50 16.181 -7.084 -12.803 1.00 15.21 N ATOM 779 CA LEU A 50 16.072 -6.231 -11.624 1.00 45.34 C ATOM 780 C LEU A 50 17.444 -5.984 -11.003 1.00 75.20 C ATOM 781 O LEU A 50 18.141 -6.924 -10.623 1.00 34.14 O ATOM 782 CB LEU A 50 15.140 -6.868 -10.593 1.00 55.21 C ATOM 783 CG LEU A 50 13.648 -6.584 -10.772 1.00 33.02 C ATOM 784 CD1 LEU A 50 13.312 -5.176 -10.305 1.00 25.01 C ATOM 785 CD2 LEU A 50 13.238 -6.778 -12.225 1.00 2.24 C ATOM 0 H LEU A 50 15.728 -7.993 -12.709 1.00 15.21 H new ATOM 0 HA LEU A 50 15.656 -5.273 -11.936 1.00 45.34 H new ATOM 0 HB2 LEU A 50 15.289 -7.947 -10.616 1.00 55.21 H new ATOM 0 HB3 LEU A 50 15.438 -6.526 -9.602 1.00 55.21 H new ATOM 0 HG LEU A 50 13.088 -7.291 -10.160 1.00 33.02 H new ATOM 0 HD11 LEU A 50 12.246 -4.992 -10.440 1.00 25.01 H new ATOM 0 HD12 LEU A 50 13.567 -5.072 -9.250 1.00 25.01 H new ATOM 0 HD13 LEU A 50 13.882 -4.453 -10.889 1.00 25.01 H new ATOM 0 HD21 LEU A 50 12.173 -6.572 -12.333 1.00 2.24 H new ATOM 0 HD22 LEU A 50 13.806 -6.096 -12.858 1.00 2.24 H new ATOM 0 HD23 LEU A 50 13.441 -7.806 -12.526 1.00 2.24 H new ATOM 797 N GLU A 51 17.822 -4.714 -10.902 1.00 1.11 N ATOM 798 CA GLU A 51 19.109 -4.345 -10.325 1.00 4.21 C ATOM 799 C GLU A 51 18.946 -3.888 -8.878 1.00 23.30 C ATOM 800 O GLU A 51 17.973 -3.218 -8.533 1.00 72.23 O ATOM 801 CB GLU A 51 19.764 -3.235 -11.151 1.00 21.35 C ATOM 802 CG GLU A 51 20.866 -3.732 -12.072 1.00 55.41 C ATOM 803 CD GLU A 51 21.544 -2.606 -12.829 1.00 21.40 C ATOM 804 OE1 GLU A 51 20.877 -1.975 -13.675 1.00 42.14 O ATOM 805 OE2 GLU A 51 22.741 -2.357 -12.575 1.00 61.55 O ATOM 0 H GLU A 51 17.256 -3.924 -11.212 1.00 1.11 H new ATOM 0 HA GLU A 51 19.751 -5.226 -10.340 1.00 4.21 H new ATOM 0 HB2 GLU A 51 18.999 -2.738 -11.748 1.00 21.35 H new ATOM 0 HB3 GLU A 51 20.177 -2.486 -10.475 1.00 21.35 H new ATOM 0 HG2 GLU A 51 21.610 -4.270 -11.485 1.00 55.41 H new ATOM 0 HG3 GLU A 51 20.447 -4.443 -12.784 1.00 55.41 H new ATOM 812 N ASP A 52 19.906 -4.257 -8.036 1.00 53.51 N ATOM 813 CA ASP A 52 19.870 -3.885 -6.626 1.00 72.23 C ATOM 814 C ASP A 52 19.835 -2.369 -6.465 1.00 15.34 C ATOM 815 O ASP A 52 19.407 -1.854 -5.431 1.00 61.51 O ATOM 816 CB ASP A 52 21.083 -4.460 -5.894 1.00 63.44 C ATOM 817 CG ASP A 52 22.395 -3.958 -6.464 1.00 41.33 C ATOM 818 OD1 ASP A 52 23.092 -4.747 -7.136 1.00 60.10 O ATOM 819 OD2 ASP A 52 22.724 -2.774 -6.239 1.00 65.54 O ATOM 0 H ASP A 52 20.718 -4.813 -8.305 1.00 53.51 H new ATOM 0 HA ASP A 52 18.962 -4.300 -6.189 1.00 72.23 H new ATOM 0 HB2 ASP A 52 21.025 -4.197 -4.838 1.00 63.44 H new ATOM 0 HB3 ASP A 52 21.057 -5.548 -5.953 1.00 63.44 H new ATOM 824 N SER A 53 20.288 -1.658 -7.493 1.00 33.34 N ATOM 825 CA SER A 53 20.313 -0.201 -7.463 1.00 14.44 C ATOM 826 C SER A 53 19.104 0.378 -8.192 1.00 1.51 C ATOM 827 O SER A 53 19.147 1.501 -8.696 1.00 61.11 O ATOM 828 CB SER A 53 21.603 0.322 -8.096 1.00 64.34 C ATOM 829 OG SER A 53 21.930 1.609 -7.602 1.00 32.11 O ATOM 0 H SER A 53 20.643 -2.068 -8.357 1.00 33.34 H new ATOM 0 HA SER A 53 20.274 0.117 -6.421 1.00 14.44 H new ATOM 0 HB2 SER A 53 22.420 -0.369 -7.887 1.00 64.34 H new ATOM 0 HB3 SER A 53 21.489 0.363 -9.179 1.00 64.34 H new ATOM 0 HG SER A 53 21.165 2.210 -7.723 1.00 32.11 H new ATOM 835 N LYS A 54 18.026 -0.396 -8.244 1.00 54.10 N ATOM 836 CA LYS A 54 16.803 0.038 -8.910 1.00 21.22 C ATOM 837 C LYS A 54 15.630 0.055 -7.935 1.00 74.15 C ATOM 838 O LYS A 54 15.751 -0.387 -6.792 1.00 43.33 O ATOM 839 CB LYS A 54 16.486 -0.883 -10.090 1.00 63.31 C ATOM 840 CG LYS A 54 17.454 -0.739 -11.251 1.00 45.45 C ATOM 841 CD LYS A 54 17.149 0.497 -12.081 1.00 70.15 C ATOM 842 CE LYS A 54 16.306 0.155 -13.300 1.00 54.12 C ATOM 843 NZ LYS A 54 16.352 1.233 -14.327 1.00 21.11 N ATOM 0 H LYS A 54 17.974 -1.328 -7.833 1.00 54.10 H new ATOM 0 HA LYS A 54 16.960 1.051 -9.280 1.00 21.22 H new ATOM 0 HB2 LYS A 54 16.496 -1.917 -9.746 1.00 63.31 H new ATOM 0 HB3 LYS A 54 15.476 -0.674 -10.442 1.00 63.31 H new ATOM 0 HG2 LYS A 54 18.474 -0.680 -10.871 1.00 45.45 H new ATOM 0 HG3 LYS A 54 17.400 -1.625 -11.883 1.00 45.45 H new ATOM 0 HD2 LYS A 54 16.623 1.228 -11.467 1.00 70.15 H new ATOM 0 HD3 LYS A 54 18.082 0.961 -12.401 1.00 70.15 H new ATOM 0 HE2 LYS A 54 16.661 -0.778 -13.737 1.00 54.12 H new ATOM 0 HE3 LYS A 54 15.273 -0.010 -12.993 1.00 54.12 H new ATOM 0 HZ1 LYS A 54 15.971 0.873 -15.225 1.00 21.11 H new ATOM 0 HZ2 LYS A 54 15.781 2.041 -14.007 1.00 21.11 H new ATOM 0 HZ3 LYS A 54 17.336 1.538 -14.466 1.00 21.11 H new ATOM 857 N THR A 55 14.492 0.566 -8.395 1.00 52.42 N ATOM 858 CA THR A 55 13.296 0.640 -7.565 1.00 5.53 C ATOM 859 C THR A 55 12.036 0.434 -8.396 1.00 54.11 C ATOM 860 O THR A 55 12.089 0.404 -9.625 1.00 44.52 O ATOM 861 CB THR A 55 13.202 1.994 -6.836 1.00 55.43 C ATOM 862 OG1 THR A 55 12.814 3.020 -7.757 1.00 43.14 O ATOM 863 CG2 THR A 55 14.532 2.358 -6.194 1.00 51.04 C ATOM 0 H THR A 55 14.374 0.935 -9.339 1.00 52.42 H new ATOM 0 HA THR A 55 13.374 -0.158 -6.826 1.00 5.53 H new ATOM 0 HB THR A 55 12.451 1.907 -6.051 1.00 55.43 H new ATOM 0 HG1 THR A 55 12.755 3.877 -7.286 1.00 43.14 H new ATOM 0 HG21 THR A 55 14.440 3.318 -5.686 1.00 51.04 H new ATOM 0 HG22 THR A 55 14.810 1.590 -5.472 1.00 51.04 H new ATOM 0 HG23 THR A 55 15.301 2.427 -6.964 1.00 51.04 H new ATOM 871 N MET A 56 10.902 0.293 -7.718 1.00 34.53 N ATOM 872 CA MET A 56 9.626 0.091 -8.395 1.00 62.24 C ATOM 873 C MET A 56 9.249 1.317 -9.220 1.00 51.32 C ATOM 874 O MET A 56 8.655 1.198 -10.292 1.00 24.44 O ATOM 875 CB MET A 56 8.525 -0.212 -7.377 1.00 3.30 C ATOM 876 CG MET A 56 8.704 -1.544 -6.667 1.00 12.21 C ATOM 877 SD MET A 56 8.277 -2.950 -7.711 1.00 60.33 S ATOM 878 CE MET A 56 9.810 -3.875 -7.676 1.00 63.44 C ATOM 0 H MET A 56 10.840 0.315 -6.700 1.00 34.53 H new ATOM 0 HA MET A 56 9.731 -0.760 -9.068 1.00 62.24 H new ATOM 0 HB2 MET A 56 8.499 0.586 -6.634 1.00 3.30 H new ATOM 0 HB3 MET A 56 7.561 -0.207 -7.885 1.00 3.30 H new ATOM 0 HG2 MET A 56 9.739 -1.641 -6.340 1.00 12.21 H new ATOM 0 HG3 MET A 56 8.084 -1.560 -5.771 1.00 12.21 H new ATOM 0 HE1 MET A 56 9.748 -4.709 -8.375 1.00 63.44 H new ATOM 0 HE2 MET A 56 10.635 -3.223 -7.962 1.00 63.44 H new ATOM 0 HE3 MET A 56 9.981 -4.257 -6.670 1.00 63.44 H new ATOM 888 N ALA A 57 9.597 2.496 -8.714 1.00 31.45 N ATOM 889 CA ALA A 57 9.296 3.743 -9.405 1.00 1.25 C ATOM 890 C ALA A 57 10.206 3.934 -10.613 1.00 53.44 C ATOM 891 O ALA A 57 9.887 4.695 -11.528 1.00 23.22 O ATOM 892 CB ALA A 57 9.429 4.921 -8.450 1.00 61.50 C ATOM 0 H ALA A 57 10.088 2.613 -7.828 1.00 31.45 H new ATOM 0 HA ALA A 57 8.267 3.693 -9.762 1.00 1.25 H new ATOM 0 HB1 ALA A 57 9.201 5.846 -8.979 1.00 61.50 H new ATOM 0 HB2 ALA A 57 8.733 4.797 -7.620 1.00 61.50 H new ATOM 0 HB3 ALA A 57 10.448 4.964 -8.065 1.00 61.50 H new ATOM 898 N ASP A 58 11.339 3.241 -10.611 1.00 34.31 N ATOM 899 CA ASP A 58 12.295 3.334 -11.708 1.00 72.00 C ATOM 900 C ASP A 58 11.853 2.474 -12.888 1.00 40.54 C ATOM 901 O ASP A 58 11.959 2.887 -14.044 1.00 30.13 O ATOM 902 CB ASP A 58 13.685 2.903 -11.239 1.00 62.41 C ATOM 903 CG ASP A 58 14.794 3.522 -12.067 1.00 54.23 C ATOM 904 OD1 ASP A 58 15.740 4.079 -11.471 1.00 72.34 O ATOM 905 OD2 ASP A 58 14.715 3.450 -13.311 1.00 63.14 O ATOM 0 H ASP A 58 11.618 2.608 -9.861 1.00 34.31 H new ATOM 0 HA ASP A 58 12.336 4.373 -12.034 1.00 72.00 H new ATOM 0 HB2 ASP A 58 13.816 3.184 -10.194 1.00 62.41 H new ATOM 0 HB3 ASP A 58 13.761 1.817 -11.289 1.00 62.41 H new ATOM 910 N TYR A 59 11.359 1.278 -12.590 1.00 51.21 N ATOM 911 CA TYR A 59 10.904 0.359 -13.627 1.00 23.25 C ATOM 912 C TYR A 59 9.466 0.664 -14.033 1.00 33.24 C ATOM 913 O TYR A 59 8.916 0.032 -14.933 1.00 61.35 O ATOM 914 CB TYR A 59 11.013 -1.087 -13.139 1.00 12.23 C ATOM 915 CG TYR A 59 12.403 -1.668 -13.271 1.00 15.34 C ATOM 916 CD1 TYR A 59 13.010 -2.316 -12.202 1.00 51.10 C ATOM 917 CD2 TYR A 59 13.109 -1.568 -14.463 1.00 14.31 C ATOM 918 CE1 TYR A 59 14.280 -2.848 -12.317 1.00 53.35 C ATOM 919 CE2 TYR A 59 14.378 -2.098 -14.588 1.00 1.31 C ATOM 920 CZ TYR A 59 14.959 -2.736 -13.512 1.00 65.55 C ATOM 921 OH TYR A 59 16.225 -3.265 -13.633 1.00 15.54 O ATOM 0 H TYR A 59 11.263 0.922 -11.639 1.00 51.21 H new ATOM 0 HA TYR A 59 11.544 0.490 -14.500 1.00 23.25 H new ATOM 0 HB2 TYR A 59 10.707 -1.133 -12.094 1.00 12.23 H new ATOM 0 HB3 TYR A 59 10.315 -1.705 -13.703 1.00 12.23 H new ATOM 0 HD1 TYR A 59 12.480 -2.405 -11.265 1.00 51.10 H new ATOM 0 HD2 TYR A 59 12.658 -1.067 -15.307 1.00 14.31 H new ATOM 0 HE1 TYR A 59 14.738 -3.348 -11.476 1.00 53.35 H new ATOM 0 HE2 TYR A 59 14.912 -2.013 -15.523 1.00 1.31 H new ATOM 0 HH TYR A 59 16.163 -4.233 -13.775 1.00 15.54 H new ATOM 931 N ASN A 60 8.862 1.639 -13.360 1.00 60.53 N ATOM 932 CA ASN A 60 7.487 2.029 -13.650 1.00 1.00 C ATOM 933 C ASN A 60 6.521 0.889 -13.342 1.00 64.55 C ATOM 934 O ASN A 60 5.454 0.786 -13.947 1.00 72.23 O ATOM 935 CB ASN A 60 7.351 2.446 -15.116 1.00 24.21 C ATOM 936 CG ASN A 60 6.133 3.316 -15.359 1.00 61.52 C ATOM 937 OD1 ASN A 60 6.094 4.476 -14.951 1.00 51.54 O ATOM 938 ND2 ASN A 60 5.131 2.756 -16.027 1.00 12.10 N ATOM 0 H ASN A 60 9.303 2.173 -12.611 1.00 60.53 H new ATOM 0 HA ASN A 60 7.235 2.877 -13.013 1.00 1.00 H new ATOM 0 HB2 ASN A 60 8.247 2.986 -15.422 1.00 24.21 H new ATOM 0 HB3 ASN A 60 7.288 1.555 -15.740 1.00 24.21 H new ATOM 0 HD21 ASN A 60 4.285 3.292 -16.221 1.00 12.10 H new ATOM 0 HD22 ASN A 60 5.208 1.790 -16.346 1.00 12.10 H new ATOM 945 N ILE A 61 6.904 0.035 -12.399 1.00 11.13 N ATOM 946 CA ILE A 61 6.071 -1.096 -12.010 1.00 25.52 C ATOM 947 C ILE A 61 5.486 -0.895 -10.616 1.00 63.11 C ATOM 948 O ILE A 61 6.214 -0.877 -9.624 1.00 42.30 O ATOM 949 CB ILE A 61 6.867 -2.415 -12.035 1.00 34.21 C ATOM 950 CG1 ILE A 61 8.229 -2.228 -11.364 1.00 50.52 C ATOM 951 CG2 ILE A 61 7.037 -2.904 -13.466 1.00 2.34 C ATOM 952 CD1 ILE A 61 9.075 -3.482 -11.353 1.00 14.34 C ATOM 0 H ILE A 61 7.785 0.105 -11.890 1.00 11.13 H new ATOM 0 HA ILE A 61 5.260 -1.156 -12.736 1.00 25.52 H new ATOM 0 HB ILE A 61 6.310 -3.169 -11.478 1.00 34.21 H new ATOM 0 HG12 ILE A 61 8.773 -1.437 -11.880 1.00 50.52 H new ATOM 0 HG13 ILE A 61 8.076 -1.893 -10.338 1.00 50.52 H new ATOM 0 HG21 ILE A 61 7.601 -3.837 -13.467 1.00 2.34 H new ATOM 0 HG22 ILE A 61 6.057 -3.072 -13.912 1.00 2.34 H new ATOM 0 HG23 ILE A 61 7.575 -2.154 -14.045 1.00 2.34 H new ATOM 0 HD11 ILE A 61 10.026 -3.275 -10.862 1.00 14.34 H new ATOM 0 HD12 ILE A 61 8.551 -4.270 -10.812 1.00 14.34 H new ATOM 0 HD13 ILE A 61 9.259 -3.806 -12.377 1.00 14.34 H new ATOM 964 N GLN A 62 4.167 -0.746 -10.550 1.00 22.40 N ATOM 965 CA GLN A 62 3.484 -0.548 -9.277 1.00 42.31 C ATOM 966 C GLN A 62 2.013 -0.936 -9.382 1.00 61.22 C ATOM 967 O GLN A 62 1.559 -1.417 -10.421 1.00 25.43 O ATOM 968 CB GLN A 62 3.608 0.910 -8.830 1.00 24.23 C ATOM 969 CG GLN A 62 4.917 1.219 -8.120 1.00 35.13 C ATOM 970 CD GLN A 62 4.834 2.465 -7.261 1.00 0.42 C ATOM 971 OE1 GLN A 62 3.788 3.109 -7.180 1.00 53.51 O ATOM 972 NE2 GLN A 62 5.940 2.813 -6.613 1.00 70.51 N ATOM 0 H GLN A 62 3.550 -0.759 -11.362 1.00 22.40 H new ATOM 0 HA GLN A 62 3.958 -1.191 -8.535 1.00 42.31 H new ATOM 0 HB2 GLN A 62 3.515 1.558 -9.702 1.00 24.23 H new ATOM 0 HB3 GLN A 62 2.778 1.149 -8.165 1.00 24.23 H new ATOM 0 HG2 GLN A 62 5.197 0.370 -7.496 1.00 35.13 H new ATOM 0 HG3 GLN A 62 5.707 1.345 -8.861 1.00 35.13 H new ATOM 0 HE21 GLN A 62 6.785 2.250 -6.708 1.00 70.51 H new ATOM 0 HE22 GLN A 62 5.944 3.643 -6.020 1.00 70.51 H new ATOM 981 N LYS A 63 1.272 -0.725 -8.300 1.00 53.41 N ATOM 982 CA LYS A 63 -0.149 -1.051 -8.270 1.00 21.35 C ATOM 983 C LYS A 63 -0.370 -2.541 -8.510 1.00 61.24 C ATOM 984 O LYS A 63 -0.786 -2.948 -9.594 1.00 73.23 O ATOM 985 CB LYS A 63 -0.904 -0.236 -9.322 1.00 65.22 C ATOM 986 CG LYS A 63 -0.776 1.266 -9.135 1.00 35.33 C ATOM 987 CD LYS A 63 -0.773 1.996 -10.467 1.00 60.33 C ATOM 988 CE LYS A 63 0.509 1.734 -11.243 1.00 2.44 C ATOM 989 NZ LYS A 63 0.656 2.660 -12.400 1.00 72.32 N ATOM 0 H LYS A 63 1.632 -0.329 -7.432 1.00 53.41 H new ATOM 0 HA LYS A 63 -0.533 -0.799 -7.281 1.00 21.35 H new ATOM 0 HB2 LYS A 63 -0.533 -0.503 -10.311 1.00 65.22 H new ATOM 0 HB3 LYS A 63 -1.959 -0.509 -9.292 1.00 65.22 H new ATOM 0 HG2 LYS A 63 -1.601 1.629 -8.522 1.00 35.33 H new ATOM 0 HG3 LYS A 63 0.144 1.489 -8.595 1.00 35.33 H new ATOM 0 HD2 LYS A 63 -1.630 1.677 -11.060 1.00 60.33 H new ATOM 0 HD3 LYS A 63 -0.884 3.067 -10.297 1.00 60.33 H new ATOM 0 HE2 LYS A 63 1.365 1.845 -10.578 1.00 2.44 H new ATOM 0 HE3 LYS A 63 0.514 0.704 -11.599 1.00 2.44 H new ATOM 0 HZ1 LYS A 63 1.542 2.449 -12.903 1.00 72.32 H new ATOM 0 HZ2 LYS A 63 -0.148 2.536 -13.048 1.00 72.32 H new ATOM 0 HZ3 LYS A 63 0.677 3.642 -12.058 1.00 72.32 H new ATOM 1003 N GLU A 64 -0.089 -3.349 -7.492 1.00 54.23 N ATOM 1004 CA GLU A 64 -0.259 -4.793 -7.595 1.00 62.40 C ATOM 1005 C GLU A 64 0.665 -5.375 -8.662 1.00 33.03 C ATOM 1006 O GLU A 64 0.397 -6.441 -9.216 1.00 32.25 O ATOM 1007 CB GLU A 64 -1.714 -5.137 -7.922 1.00 44.21 C ATOM 1008 CG GLU A 64 -2.724 -4.323 -7.130 1.00 63.44 C ATOM 1009 CD GLU A 64 -4.110 -4.938 -7.148 1.00 41.21 C ATOM 1010 OE1 GLU A 64 -4.690 -5.122 -6.058 1.00 33.23 O ATOM 1011 OE2 GLU A 64 -4.614 -5.234 -8.251 1.00 60.33 O ATOM 0 H GLU A 64 0.257 -3.028 -6.588 1.00 54.23 H new ATOM 0 HA GLU A 64 0.003 -5.233 -6.633 1.00 62.40 H new ATOM 0 HB2 GLU A 64 -1.886 -4.978 -8.986 1.00 44.21 H new ATOM 0 HB3 GLU A 64 -1.881 -6.196 -7.727 1.00 44.21 H new ATOM 0 HG2 GLU A 64 -2.384 -4.233 -6.098 1.00 63.44 H new ATOM 0 HG3 GLU A 64 -2.773 -3.314 -7.539 1.00 63.44 H new ATOM 1018 N SER A 65 1.753 -4.666 -8.945 1.00 13.15 N ATOM 1019 CA SER A 65 2.714 -5.108 -9.948 1.00 22.54 C ATOM 1020 C SER A 65 3.112 -6.563 -9.714 1.00 51.24 C ATOM 1021 O SER A 65 3.447 -6.956 -8.597 1.00 21.34 O ATOM 1022 CB SER A 65 3.958 -4.217 -9.921 1.00 75.40 C ATOM 1023 OG SER A 65 4.059 -3.448 -11.107 1.00 22.40 O ATOM 0 H SER A 65 1.991 -3.783 -8.494 1.00 13.15 H new ATOM 0 HA SER A 65 2.242 -5.031 -10.927 1.00 22.54 H new ATOM 0 HB2 SER A 65 3.916 -3.554 -9.056 1.00 75.40 H new ATOM 0 HB3 SER A 65 4.849 -4.834 -9.807 1.00 75.40 H new ATOM 0 HG SER A 65 4.279 -4.035 -11.860 1.00 22.40 H new ATOM 1029 N THR A 66 3.072 -7.359 -10.779 1.00 2.42 N ATOM 1030 CA THR A 66 3.427 -8.770 -10.692 1.00 13.53 C ATOM 1031 C THR A 66 4.892 -8.992 -11.050 1.00 13.51 C ATOM 1032 O THR A 66 5.303 -8.772 -12.190 1.00 0.40 O ATOM 1033 CB THR A 66 2.547 -9.628 -11.620 1.00 62.03 C ATOM 1034 OG1 THR A 66 1.164 -9.414 -11.320 1.00 75.30 O ATOM 1035 CG2 THR A 66 2.882 -11.104 -11.470 1.00 32.40 C ATOM 0 H THR A 66 2.797 -7.050 -11.711 1.00 2.42 H new ATOM 0 HA THR A 66 3.259 -9.075 -9.659 1.00 13.53 H new ATOM 0 HB THR A 66 2.744 -9.330 -12.650 1.00 62.03 H new ATOM 0 HG1 THR A 66 0.611 -9.962 -11.916 1.00 75.30 H new ATOM 0 HG21 THR A 66 2.248 -11.690 -12.135 1.00 32.40 H new ATOM 0 HG22 THR A 66 3.928 -11.268 -11.728 1.00 32.40 H new ATOM 0 HG23 THR A 66 2.710 -11.413 -10.439 1.00 32.40 H new ATOM 1043 N LEU A 67 5.675 -9.429 -10.071 1.00 5.14 N ATOM 1044 CA LEU A 67 7.096 -9.682 -10.283 1.00 4.10 C ATOM 1045 C LEU A 67 7.378 -11.179 -10.353 1.00 64.34 C ATOM 1046 O LEU A 67 6.557 -11.997 -9.937 1.00 53.33 O ATOM 1047 CB LEU A 67 7.921 -9.048 -9.161 1.00 34.42 C ATOM 1048 CG LEU A 67 9.344 -8.628 -9.529 1.00 11.42 C ATOM 1049 CD1 LEU A 67 9.702 -7.311 -8.857 1.00 31.11 C ATOM 1050 CD2 LEU A 67 10.338 -9.713 -9.142 1.00 73.35 C ATOM 0 H LEU A 67 5.350 -9.616 -9.122 1.00 5.14 H new ATOM 0 HA LEU A 67 7.381 -9.232 -11.234 1.00 4.10 H new ATOM 0 HB2 LEU A 67 7.387 -8.170 -8.796 1.00 34.42 H new ATOM 0 HB3 LEU A 67 7.975 -9.755 -8.333 1.00 34.42 H new ATOM 0 HG LEU A 67 9.393 -8.487 -10.609 1.00 11.42 H new ATOM 0 HD11 LEU A 67 10.718 -7.028 -9.130 1.00 31.11 H new ATOM 0 HD12 LEU A 67 9.009 -6.536 -9.184 1.00 31.11 H new ATOM 0 HD13 LEU A 67 9.636 -7.425 -7.775 1.00 31.11 H new ATOM 0 HD21 LEU A 67 11.346 -9.396 -9.412 1.00 73.35 H new ATOM 0 HD22 LEU A 67 10.287 -9.886 -8.067 1.00 73.35 H new ATOM 0 HD23 LEU A 67 10.094 -10.635 -9.670 1.00 73.35 H new ATOM 1062 N HIS A 68 8.546 -11.532 -10.881 1.00 23.21 N ATOM 1063 CA HIS A 68 8.938 -12.932 -11.003 1.00 43.21 C ATOM 1064 C HIS A 68 10.189 -13.220 -10.178 1.00 41.32 C ATOM 1065 O HIS A 68 11.260 -12.678 -10.448 1.00 44.51 O ATOM 1066 CB HIS A 68 9.187 -13.288 -12.469 1.00 40.42 C ATOM 1067 CG HIS A 68 8.073 -12.877 -13.382 1.00 61.24 C ATOM 1068 ND1 HIS A 68 7.677 -11.652 -13.801 1.00 34.30 N flip ATOM 1069 CD2 HIS A 68 7.216 -13.779 -13.976 1.00 65.54 C flip ATOM 1070 CE1 HIS A 68 6.600 -11.835 -14.633 1.00 72.30 C flip ATOM 1071 NE2 HIS A 68 6.342 -13.127 -14.722 1.00 0.01 N flip ATOM 0 H HIS A 68 9.237 -10.868 -11.231 1.00 23.21 H new ATOM 0 HA HIS A 68 8.123 -13.546 -10.621 1.00 43.21 H new ATOM 0 HB2 HIS A 68 10.110 -12.812 -12.798 1.00 40.42 H new ATOM 0 HB3 HIS A 68 9.336 -14.364 -12.553 1.00 40.42 H new ATOM 0 HD2 HIS A 68 7.253 -14.851 -13.851 1.00 65.54 H new ATOM 0 HE1 HIS A 68 6.053 -11.050 -15.133 1.00 72.30 H new ATOM 0 HE2 HIS A 68 5.595 -13.550 -15.273 1.00 0.01 H new ATOM 1079 N MET A 69 10.044 -14.076 -9.172 1.00 4.52 N ATOM 1080 CA MET A 69 11.163 -14.435 -8.308 1.00 60.21 C ATOM 1081 C MET A 69 11.709 -15.812 -8.671 1.00 62.41 C ATOM 1082 O MET A 69 10.950 -16.730 -8.981 1.00 72.34 O ATOM 1083 CB MET A 69 10.729 -14.416 -6.841 1.00 62.12 C ATOM 1084 CG MET A 69 11.893 -14.393 -5.863 1.00 71.35 C ATOM 1085 SD MET A 69 11.489 -15.164 -4.284 1.00 54.23 S ATOM 1086 CE MET A 69 12.156 -16.808 -4.529 1.00 3.32 C ATOM 0 H MET A 69 9.164 -14.534 -8.935 1.00 4.52 H new ATOM 0 HA MET A 69 11.954 -13.699 -8.455 1.00 60.21 H new ATOM 0 HB2 MET A 69 10.102 -13.541 -6.667 1.00 62.12 H new ATOM 0 HB3 MET A 69 10.114 -15.294 -6.641 1.00 62.12 H new ATOM 0 HG2 MET A 69 12.745 -14.908 -6.307 1.00 71.35 H new ATOM 0 HG3 MET A 69 12.198 -13.361 -5.691 1.00 71.35 H new ATOM 0 HE1 MET A 69 11.983 -17.408 -3.635 1.00 3.32 H new ATOM 0 HE2 MET A 69 11.664 -17.277 -5.381 1.00 3.32 H new ATOM 0 HE3 MET A 69 13.227 -16.741 -4.720 1.00 3.32 H new ATOM 1096 N VAL A 70 13.031 -15.950 -8.630 1.00 52.35 N ATOM 1097 CA VAL A 70 13.678 -17.215 -8.954 1.00 62.23 C ATOM 1098 C VAL A 70 14.737 -17.572 -7.917 1.00 43.13 C ATOM 1099 O VAL A 70 15.292 -16.695 -7.254 1.00 25.22 O ATOM 1100 CB VAL A 70 14.334 -17.170 -10.347 1.00 42.22 C ATOM 1101 CG1 VAL A 70 13.275 -17.209 -11.438 1.00 71.50 C ATOM 1102 CG2 VAL A 70 15.207 -15.931 -10.485 1.00 34.14 C ATOM 0 H VAL A 70 13.674 -15.201 -8.375 1.00 52.35 H new ATOM 0 HA VAL A 70 12.900 -17.978 -8.952 1.00 62.23 H new ATOM 0 HB VAL A 70 14.969 -18.049 -10.459 1.00 42.22 H new ATOM 0 HG11 VAL A 70 13.758 -17.176 -12.415 1.00 71.50 H new ATOM 0 HG12 VAL A 70 12.696 -18.128 -11.350 1.00 71.50 H new ATOM 0 HG13 VAL A 70 12.612 -16.351 -11.332 1.00 71.50 H new ATOM 0 HG21 VAL A 70 15.663 -15.915 -11.475 1.00 34.14 H new ATOM 0 HG22 VAL A 70 14.595 -15.038 -10.353 1.00 34.14 H new ATOM 0 HG23 VAL A 70 15.989 -15.951 -9.726 1.00 34.14 H new ATOM 1112 N LEU A 71 15.014 -18.864 -7.783 1.00 35.34 N ATOM 1113 CA LEU A 71 16.008 -19.338 -6.826 1.00 34.51 C ATOM 1114 C LEU A 71 17.186 -19.990 -7.543 1.00 0.43 C ATOM 1115 O LEU A 71 17.003 -20.771 -8.476 1.00 74.30 O ATOM 1116 CB LEU A 71 15.374 -20.335 -5.854 1.00 13.25 C ATOM 1117 CG LEU A 71 15.133 -21.743 -6.398 1.00 32.32 C ATOM 1118 CD1 LEU A 71 16.344 -22.628 -6.144 1.00 55.11 C ATOM 1119 CD2 LEU A 71 13.886 -22.351 -5.772 1.00 53.33 C ATOM 0 H LEU A 71 14.565 -19.602 -8.325 1.00 35.34 H new ATOM 0 HA LEU A 71 16.377 -18.478 -6.267 1.00 34.51 H new ATOM 0 HB2 LEU A 71 16.014 -20.412 -4.975 1.00 13.25 H new ATOM 0 HB3 LEU A 71 14.420 -19.928 -5.519 1.00 13.25 H new ATOM 0 HG LEU A 71 14.978 -21.674 -7.475 1.00 32.32 H new ATOM 0 HD11 LEU A 71 16.154 -23.626 -6.538 1.00 55.11 H new ATOM 0 HD12 LEU A 71 17.216 -22.202 -6.640 1.00 55.11 H new ATOM 0 HD13 LEU A 71 16.531 -22.691 -5.072 1.00 55.11 H new ATOM 0 HD21 LEU A 71 13.730 -23.353 -6.171 1.00 53.33 H new ATOM 0 HD22 LEU A 71 14.012 -22.407 -4.691 1.00 53.33 H new ATOM 0 HD23 LEU A 71 13.022 -21.729 -6.005 1.00 53.33 H new