USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 522 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 NoAdj-H: A 37 HIS HD1 : A 37 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 13 THR OG1 : rot 60:sc= 1.9 USER MOD Set 1.2: A 16 LYS NZ :NH3+ -129:sc= 1.27 (180deg=-0.0493) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.047) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.501 K(o=0.5,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 71:sc= 0.69 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.19 K(o=0.19,f=-0.33) USER MOD Single : A 46 GLN : amide:sc= -0.279 K(o=-0.28,f=-2.9!) USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.341 USER MOD Single : A 51 ASN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= -0.0185 (180deg=-0.232) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 13:sc= 0.563 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.255 36.037 -24.863 1.00 27.18 N ATOM 2 CA MET A 1 -19.297 35.879 -25.973 1.00 27.59 C ATOM 3 C MET A 1 -18.956 34.405 -26.138 1.00 27.28 C ATOM 4 O MET A 1 -19.697 33.713 -26.823 1.00 28.02 O ATOM 5 CB MET A 1 -18.055 36.765 -25.809 1.00 27.54 C ATOM 6 CG MET A 1 -18.396 38.222 -26.129 1.00 28.11 C ATOM 7 SD MET A 1 -17.010 39.357 -25.886 1.00 28.34 S ATOM 8 CE MET A 1 -17.732 40.867 -26.582 1.00 29.06 C ATOM 0 H1 MET A 1 -20.619 37.011 -24.855 1.00 27.18 H new ATOM 0 H2 MET A 1 -21.045 35.373 -24.989 1.00 27.18 H new ATOM 0 H3 MET A 1 -19.777 35.839 -23.961 1.00 27.18 H new ATOM 0 HA MET A 1 -19.767 36.227 -26.893 1.00 27.59 H new ATOM 0 HB2 MET A 1 -17.677 36.688 -24.789 1.00 27.54 H new ATOM 0 HB3 MET A 1 -17.261 36.416 -26.470 1.00 27.54 H new ATOM 0 HG2 MET A 1 -18.733 38.289 -27.163 1.00 28.11 H new ATOM 0 HG3 MET A 1 -19.229 38.538 -25.501 1.00 28.11 H new ATOM 0 HE1 MET A 1 -17.009 41.680 -26.515 1.00 29.06 H new ATOM 0 HE2 MET A 1 -17.992 40.698 -27.627 1.00 29.06 H new ATOM 0 HE3 MET A 1 -18.629 41.132 -26.023 1.00 29.06 H new ATOM 20 N LYS A 2 -17.897 33.901 -25.496 1.00 26.34 N ATOM 21 CA LYS A 2 -17.473 32.514 -25.627 1.00 26.13 C ATOM 22 C LYS A 2 -17.128 32.026 -24.231 1.00 24.75 C ATOM 23 O LYS A 2 -16.462 32.749 -23.489 1.00 24.15 O ATOM 24 CB LYS A 2 -16.273 32.462 -26.590 1.00 26.54 C ATOM 25 CG LYS A 2 -15.682 31.063 -26.842 1.00 26.90 C ATOM 26 CD LYS A 2 -14.667 30.614 -25.777 1.00 26.37 C ATOM 27 CE LYS A 2 -13.974 29.309 -26.180 1.00 26.78 C ATOM 28 NZ LYS A 2 -12.869 29.528 -27.138 1.00 27.37 N ATOM 0 H LYS A 2 -17.310 34.451 -24.869 1.00 26.34 H new ATOM 0 HA LYS A 2 -18.247 31.868 -26.042 1.00 26.13 H new ATOM 0 HB2 LYS A 2 -16.579 32.885 -27.547 1.00 26.54 H new ATOM 0 HB3 LYS A 2 -15.485 33.104 -26.195 1.00 26.54 H new ATOM 0 HG2 LYS A 2 -16.495 30.338 -26.884 1.00 26.90 H new ATOM 0 HG3 LYS A 2 -15.197 31.055 -27.818 1.00 26.90 H new ATOM 0 HD2 LYS A 2 -13.920 31.395 -25.632 1.00 26.37 H new ATOM 0 HD3 LYS A 2 -15.175 30.478 -24.822 1.00 26.37 H new ATOM 0 HE2 LYS A 2 -13.586 28.817 -25.288 1.00 26.78 H new ATOM 0 HE3 LYS A 2 -14.706 28.634 -26.623 1.00 26.78 H new ATOM 0 HZ1 LYS A 2 -12.433 28.615 -27.379 1.00 27.37 H new ATOM 0 HZ2 LYS A 2 -13.241 29.973 -28.001 1.00 27.37 H new ATOM 0 HZ3 LYS A 2 -12.155 30.150 -26.708 1.00 27.37 H new ATOM 42 N GLN A 3 -17.590 30.832 -23.862 1.00 24.36 N ATOM 43 CA GLN A 3 -17.188 30.171 -22.633 1.00 23.10 C ATOM 44 C GLN A 3 -17.602 28.710 -22.722 1.00 22.71 C ATOM 45 O GLN A 3 -18.511 28.372 -23.478 1.00 23.54 O ATOM 46 CB GLN A 3 -17.835 30.860 -21.416 1.00 22.82 C ATOM 47 CG GLN A 3 -16.781 31.317 -20.396 1.00 21.96 C ATOM 48 CD GLN A 3 -17.080 32.719 -19.882 1.00 21.98 C ATOM 49 OE1 GLN A 3 -17.525 32.911 -18.759 1.00 21.55 O ATOM 50 NE2 GLN A 3 -16.845 33.728 -20.712 1.00 22.71 N ATOM 0 H GLN A 3 -18.259 30.297 -24.416 1.00 24.36 H new ATOM 0 HA GLN A 3 -16.108 30.236 -22.505 1.00 23.10 H new ATOM 0 HB2 GLN A 3 -18.415 31.720 -21.750 1.00 22.82 H new ATOM 0 HB3 GLN A 3 -18.532 30.173 -20.936 1.00 22.82 H new ATOM 0 HG2 GLN A 3 -16.755 30.619 -19.560 1.00 21.96 H new ATOM 0 HG3 GLN A 3 -15.794 31.299 -20.857 1.00 21.96 H new ATOM 0 HE21 GLN A 3 -16.474 33.546 -21.644 1.00 22.71 H new ATOM 0 HE22 GLN A 3 -17.036 34.686 -20.417 1.00 22.71 H new ATOM 59 N ASP A 4 -16.923 27.865 -21.952 1.00 21.60 N ATOM 60 CA ASP A 4 -17.062 26.420 -21.963 1.00 21.22 C ATOM 61 C ASP A 4 -16.346 25.890 -20.716 1.00 19.82 C ATOM 62 O ASP A 4 -15.601 26.633 -20.077 1.00 19.35 O ATOM 63 CB ASP A 4 -16.487 25.834 -23.267 1.00 22.02 C ATOM 64 CG ASP A 4 -15.080 26.339 -23.612 1.00 22.05 C ATOM 65 OD1 ASP A 4 -14.114 25.642 -23.238 1.00 21.69 O ATOM 66 OD2 ASP A 4 -14.982 27.403 -24.276 1.00 22.70 O ATOM 0 H ASP A 4 -16.231 28.187 -21.275 1.00 21.60 H new ATOM 0 HA ASP A 4 -18.109 26.119 -21.935 1.00 21.22 H new ATOM 0 HB2 ASP A 4 -16.462 24.747 -23.185 1.00 22.02 H new ATOM 0 HB3 ASP A 4 -17.160 26.076 -24.089 1.00 22.02 H new ATOM 71 N GLY A 5 -16.623 24.646 -20.324 1.00 19.28 N ATOM 72 CA GLY A 5 -16.125 24.048 -19.092 1.00 18.05 C ATOM 73 C GLY A 5 -16.887 22.752 -18.840 1.00 17.72 C ATOM 74 O GLY A 5 -17.927 22.534 -19.463 1.00 18.50 O ATOM 0 H GLY A 5 -17.212 24.016 -20.868 1.00 19.28 H new ATOM 0 HA2 GLY A 5 -15.056 23.849 -19.173 1.00 18.05 H new ATOM 0 HA3 GLY A 5 -16.259 24.735 -18.256 1.00 18.05 H new ATOM 78 N GLU A 6 -16.388 21.885 -17.957 1.00 16.75 N ATOM 79 CA GLU A 6 -17.076 20.641 -17.618 1.00 16.42 C ATOM 80 C GLU A 6 -16.425 20.014 -16.392 1.00 15.32 C ATOM 81 O GLU A 6 -17.113 19.590 -15.468 1.00 15.42 O ATOM 82 CB GLU A 6 -17.021 19.624 -18.776 1.00 17.24 C ATOM 83 CG GLU A 6 -18.115 18.563 -18.587 1.00 17.97 C ATOM 84 CD GLU A 6 -17.775 17.259 -19.309 1.00 18.79 C ATOM 85 OE1 GLU A 6 -17.844 17.252 -20.558 1.00 19.69 O ATOM 86 OE2 GLU A 6 -17.449 16.285 -18.594 1.00 18.71 O ATOM 0 H GLU A 6 -15.507 22.024 -17.463 1.00 16.75 H new ATOM 0 HA GLU A 6 -18.119 20.887 -17.419 1.00 16.42 H new ATOM 0 HB2 GLU A 6 -17.158 20.136 -19.729 1.00 17.24 H new ATOM 0 HB3 GLU A 6 -16.041 19.148 -18.808 1.00 17.24 H new ATOM 0 HG2 GLU A 6 -18.249 18.365 -17.524 1.00 17.97 H new ATOM 0 HG3 GLU A 6 -19.063 18.949 -18.961 1.00 17.97 H new ATOM 93 N GLU A 7 -15.096 19.878 -16.433 1.00 14.57 N ATOM 94 CA GLU A 7 -14.238 19.288 -15.406 1.00 13.60 C ATOM 95 C GLU A 7 -14.422 17.775 -15.240 1.00 13.08 C ATOM 96 O GLU A 7 -13.593 17.128 -14.603 1.00 12.95 O ATOM 97 CB GLU A 7 -14.322 20.077 -14.084 1.00 13.20 C ATOM 98 CG GLU A 7 -13.560 21.411 -14.156 1.00 13.23 C ATOM 99 CD GLU A 7 -13.863 22.198 -15.438 1.00 14.64 C ATOM 100 OE1 GLU A 7 -13.058 22.076 -16.387 1.00 15.56 O ATOM 101 OE2 GLU A 7 -14.936 22.835 -15.517 1.00 15.03 O ATOM 0 H GLU A 7 -14.558 20.199 -17.238 1.00 14.57 H new ATOM 0 HA GLU A 7 -13.212 19.385 -15.761 1.00 13.60 H new ATOM 0 HB2 GLU A 7 -15.367 20.270 -13.843 1.00 13.20 H new ATOM 0 HB3 GLU A 7 -13.915 19.471 -13.274 1.00 13.20 H new ATOM 0 HG2 GLU A 7 -13.820 22.020 -13.291 1.00 13.23 H new ATOM 0 HG3 GLU A 7 -12.489 21.216 -14.099 1.00 13.23 H new ATOM 108 N GLY A 8 -15.439 17.184 -15.867 1.00 13.13 N ATOM 109 CA GLY A 8 -15.658 15.751 -15.844 1.00 12.87 C ATOM 110 C GLY A 8 -15.909 15.277 -14.418 1.00 11.64 C ATOM 111 O GLY A 8 -16.559 15.954 -13.624 1.00 11.42 O ATOM 0 H GLY A 8 -16.136 17.697 -16.408 1.00 13.13 H new ATOM 0 HA2 GLY A 8 -16.510 15.496 -16.474 1.00 12.87 H new ATOM 0 HA3 GLY A 8 -14.790 15.237 -16.258 1.00 12.87 H new ATOM 115 N THR A 9 -15.414 14.088 -14.082 1.00 11.14 N ATOM 116 CA THR A 9 -15.455 13.588 -12.721 1.00 9.95 C ATOM 117 C THR A 9 -14.406 12.485 -12.592 1.00 9.33 C ATOM 118 O THR A 9 -13.982 11.924 -13.602 1.00 10.34 O ATOM 119 CB THR A 9 -16.877 13.132 -12.371 1.00 10.76 C ATOM 120 OG1 THR A 9 -16.982 12.841 -10.996 1.00 10.31 O ATOM 121 CG2 THR A 9 -17.276 11.908 -13.182 1.00 12.29 C ATOM 0 H THR A 9 -14.976 13.450 -14.747 1.00 11.14 H new ATOM 0 HA THR A 9 -15.210 14.367 -11.999 1.00 9.95 H new ATOM 0 HB THR A 9 -17.554 13.950 -12.617 1.00 10.76 H new ATOM 0 HG1 THR A 9 -17.896 12.554 -10.791 1.00 10.31 H new ATOM 0 HG21 THR A 9 -18.289 11.607 -12.913 1.00 12.29 H new ATOM 0 HG22 THR A 9 -17.239 12.148 -14.245 1.00 12.29 H new ATOM 0 HG23 THR A 9 -16.587 11.091 -12.970 1.00 12.29 H new ATOM 129 N GLU A 10 -13.982 12.179 -11.369 1.00 8.04 N ATOM 130 CA GLU A 10 -13.026 11.119 -11.093 1.00 7.68 C ATOM 131 C GLU A 10 -13.179 10.720 -9.623 1.00 6.51 C ATOM 132 O GLU A 10 -13.960 11.336 -8.897 1.00 6.23 O ATOM 133 CB GLU A 10 -11.599 11.594 -11.421 1.00 7.85 C ATOM 134 CG GLU A 10 -10.915 10.563 -12.326 1.00 9.03 C ATOM 135 CD GLU A 10 -9.506 10.988 -12.749 1.00 9.77 C ATOM 136 OE1 GLU A 10 -9.290 12.206 -12.936 1.00 9.90 O ATOM 137 OE2 GLU A 10 -8.667 10.075 -12.910 1.00 10.58 O ATOM 0 H GLU A 10 -14.299 12.669 -10.533 1.00 8.04 H new ATOM 0 HA GLU A 10 -13.216 10.247 -11.719 1.00 7.68 H new ATOM 0 HB2 GLU A 10 -11.632 12.564 -11.916 1.00 7.85 H new ATOM 0 HB3 GLU A 10 -11.027 11.724 -10.502 1.00 7.85 H new ATOM 0 HG2 GLU A 10 -10.860 9.608 -11.804 1.00 9.03 H new ATOM 0 HG3 GLU A 10 -11.525 10.406 -13.216 1.00 9.03 H new ATOM 144 N GLU A 11 -12.459 9.691 -9.178 1.00 6.25 N ATOM 145 CA GLU A 11 -12.505 9.259 -7.789 1.00 5.36 C ATOM 146 C GLU A 11 -11.483 10.040 -6.963 1.00 4.06 C ATOM 147 O GLU A 11 -10.414 10.398 -7.449 1.00 4.42 O ATOM 148 CB GLU A 11 -12.259 7.744 -7.708 1.00 6.51 C ATOM 149 CG GLU A 11 -13.613 7.030 -7.687 1.00 7.15 C ATOM 150 CD GLU A 11 -13.478 5.519 -7.873 1.00 8.79 C ATOM 151 OE1 GLU A 11 -13.877 5.042 -8.959 1.00 9.69 O ATOM 152 OE2 GLU A 11 -13.010 4.866 -6.914 1.00 9.49 O ATOM 0 H GLU A 11 -11.834 9.140 -9.767 1.00 6.25 H new ATOM 0 HA GLU A 11 -13.492 9.463 -7.374 1.00 5.36 H new ATOM 0 HB2 GLU A 11 -11.669 7.410 -8.561 1.00 6.51 H new ATOM 0 HB3 GLU A 11 -11.689 7.501 -6.811 1.00 6.51 H new ATOM 0 HG2 GLU A 11 -14.113 7.233 -6.740 1.00 7.15 H new ATOM 0 HG3 GLU A 11 -14.247 7.435 -8.476 1.00 7.15 H new ATOM 159 N ASP A 12 -11.813 10.292 -5.695 1.00 3.34 N ATOM 160 CA ASP A 12 -10.938 10.924 -4.725 1.00 3.09 C ATOM 161 C ASP A 12 -11.356 10.366 -3.370 1.00 2.51 C ATOM 162 O ASP A 12 -12.541 10.159 -3.126 1.00 3.51 O ATOM 163 CB ASP A 12 -11.094 12.450 -4.769 1.00 4.47 C ATOM 164 CG ASP A 12 -10.189 13.168 -3.760 1.00 5.69 C ATOM 165 OD1 ASP A 12 -10.325 14.403 -3.642 1.00 7.19 O ATOM 166 OD2 ASP A 12 -9.394 12.483 -3.072 1.00 5.65 O ATOM 0 H ASP A 12 -12.726 10.052 -5.310 1.00 3.34 H new ATOM 0 HA ASP A 12 -9.888 10.717 -4.931 1.00 3.09 H new ATOM 0 HB2 ASP A 12 -10.865 12.806 -5.774 1.00 4.47 H new ATOM 0 HB3 ASP A 12 -12.133 12.711 -4.568 1.00 4.47 H new ATOM 171 N THR A 13 -10.389 10.080 -2.501 1.00 2.46 N ATOM 172 CA THR A 13 -10.610 9.682 -1.115 1.00 2.49 C ATOM 173 C THR A 13 -11.345 8.345 -0.945 1.00 2.20 C ATOM 174 O THR A 13 -11.528 7.901 0.184 1.00 2.85 O ATOM 175 CB THR A 13 -11.181 10.895 -0.356 1.00 3.16 C ATOM 176 OG1 THR A 13 -10.189 11.905 -0.411 1.00 4.13 O ATOM 177 CG2 THR A 13 -11.474 10.664 1.127 1.00 3.84 C ATOM 0 H THR A 13 -9.401 10.120 -2.751 1.00 2.46 H new ATOM 0 HA THR A 13 -9.661 9.425 -0.644 1.00 2.49 H new ATOM 0 HB THR A 13 -12.132 11.139 -0.830 1.00 3.16 H new ATOM 0 HG1 THR A 13 -10.001 12.128 -1.347 1.00 4.13 H new ATOM 0 HG21 THR A 13 -11.872 11.579 1.566 1.00 3.84 H new ATOM 0 HG22 THR A 13 -12.205 9.863 1.233 1.00 3.84 H new ATOM 0 HG23 THR A 13 -10.554 10.385 1.641 1.00 3.84 H new ATOM 185 N GLU A 14 -11.629 7.634 -2.038 1.00 1.69 N ATOM 186 CA GLU A 14 -11.976 6.221 -2.006 1.00 1.81 C ATOM 187 C GLU A 14 -10.676 5.414 -2.003 1.00 1.63 C ATOM 188 O GLU A 14 -10.382 4.706 -1.042 1.00 2.08 O ATOM 189 CB GLU A 14 -12.852 5.873 -3.220 1.00 1.95 C ATOM 190 CG GLU A 14 -14.300 6.351 -3.038 1.00 2.53 C ATOM 191 CD GLU A 14 -15.068 5.492 -2.027 1.00 2.98 C ATOM 192 OE1 GLU A 14 -14.871 5.717 -0.812 1.00 3.80 O ATOM 193 OE2 GLU A 14 -15.847 4.621 -2.474 1.00 3.66 O ATOM 0 H GLU A 14 -11.623 8.032 -2.977 1.00 1.69 H new ATOM 0 HA GLU A 14 -12.549 5.981 -1.110 1.00 1.81 H new ATOM 0 HB2 GLU A 14 -12.429 6.329 -4.115 1.00 1.95 H new ATOM 0 HB3 GLU A 14 -12.843 4.794 -3.377 1.00 1.95 H new ATOM 0 HG2 GLU A 14 -14.300 7.389 -2.705 1.00 2.53 H new ATOM 0 HG3 GLU A 14 -14.813 6.325 -3.999 1.00 2.53 H new ATOM 200 N GLU A 15 -9.857 5.546 -3.051 1.00 1.17 N ATOM 201 CA GLU A 15 -8.623 4.790 -3.190 1.00 1.07 C ATOM 202 C GLU A 15 -7.424 5.744 -3.191 1.00 1.03 C ATOM 203 O GLU A 15 -7.172 6.494 -4.133 1.00 1.17 O ATOM 204 CB GLU A 15 -8.680 3.865 -4.414 1.00 0.99 C ATOM 205 CG GLU A 15 -9.097 4.545 -5.723 1.00 1.74 C ATOM 206 CD GLU A 15 -8.546 3.813 -6.950 1.00 2.21 C ATOM 207 OE1 GLU A 15 -8.381 2.575 -6.853 1.00 2.09 O ATOM 208 OE2 GLU A 15 -8.246 4.512 -7.943 1.00 3.42 O ATOM 0 H GLU A 15 -10.038 6.184 -3.826 1.00 1.17 H new ATOM 0 HA GLU A 15 -8.497 4.130 -2.332 1.00 1.07 H new ATOM 0 HB2 GLU A 15 -7.698 3.412 -4.554 1.00 0.99 H new ATOM 0 HB3 GLU A 15 -9.378 3.054 -4.205 1.00 0.99 H new ATOM 0 HG2 GLU A 15 -10.185 4.583 -5.781 1.00 1.74 H new ATOM 0 HG3 GLU A 15 -8.742 5.575 -5.726 1.00 1.74 H new ATOM 215 N LYS A 16 -6.662 5.731 -2.099 1.00 0.95 N ATOM 216 CA LYS A 16 -5.448 6.525 -1.967 1.00 0.93 C ATOM 217 C LYS A 16 -4.378 5.723 -1.231 1.00 0.91 C ATOM 218 O LYS A 16 -4.647 5.095 -0.211 1.00 1.09 O ATOM 219 CB LYS A 16 -5.744 7.883 -1.302 1.00 1.17 C ATOM 220 CG LYS A 16 -6.758 7.779 -0.164 1.00 1.43 C ATOM 221 CD LYS A 16 -6.854 9.042 0.704 1.00 1.36 C ATOM 222 CE LYS A 16 -7.101 10.291 -0.151 1.00 1.52 C ATOM 223 NZ LYS A 16 -7.771 11.380 0.593 1.00 2.15 N ATOM 0 H LYS A 16 -6.873 5.165 -1.277 1.00 0.95 H new ATOM 0 HA LYS A 16 -5.057 6.753 -2.959 1.00 0.93 H new ATOM 0 HB2 LYS A 16 -4.815 8.303 -0.917 1.00 1.17 H new ATOM 0 HB3 LYS A 16 -6.120 8.576 -2.055 1.00 1.17 H new ATOM 0 HG2 LYS A 16 -7.740 7.564 -0.585 1.00 1.43 H new ATOM 0 HG3 LYS A 16 -6.491 6.934 0.471 1.00 1.43 H new ATOM 0 HD2 LYS A 16 -7.662 8.928 1.427 1.00 1.36 H new ATOM 0 HD3 LYS A 16 -5.933 9.165 1.273 1.00 1.36 H new ATOM 0 HE2 LYS A 16 -6.148 10.655 -0.536 1.00 1.52 H new ATOM 0 HE3 LYS A 16 -7.710 10.019 -1.013 1.00 1.52 H new ATOM 0 HZ1 LYS A 16 -8.596 11.712 0.054 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -8.082 11.027 1.520 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -7.106 12.168 0.728 1.00 2.15 H new ATOM 237 N CYS A 17 -3.164 5.745 -1.781 1.00 0.73 N ATOM 238 CA CYS A 17 -1.972 5.100 -1.262 1.00 0.67 C ATOM 239 C CYS A 17 -1.623 5.745 0.076 1.00 0.65 C ATOM 240 O CYS A 17 -1.370 6.948 0.128 1.00 0.76 O ATOM 241 CB CYS A 17 -0.844 5.397 -2.261 1.00 0.56 C ATOM 242 SG CYS A 17 0.680 4.496 -1.870 1.00 0.66 S ATOM 0 H CYS A 17 -2.983 6.245 -2.652 1.00 0.73 H new ATOM 0 HA CYS A 17 -2.115 4.028 -1.129 1.00 0.67 H new ATOM 0 HB2 CYS A 17 -1.173 5.131 -3.266 1.00 0.56 H new ATOM 0 HB3 CYS A 17 -0.639 6.468 -2.266 1.00 0.56 H new ATOM 247 N THR A 18 -1.549 4.957 1.149 1.00 0.59 N ATOM 248 CA THR A 18 -1.210 5.499 2.458 1.00 0.61 C ATOM 249 C THR A 18 0.273 5.881 2.545 1.00 0.56 C ATOM 250 O THR A 18 0.649 6.699 3.374 1.00 0.65 O ATOM 251 CB THR A 18 -1.667 4.533 3.562 1.00 0.67 C ATOM 252 OG1 THR A 18 -2.146 5.267 4.666 1.00 0.81 O ATOM 253 CG2 THR A 18 -0.565 3.590 4.037 1.00 0.69 C ATOM 0 H THR A 18 -1.718 3.951 1.135 1.00 0.59 H new ATOM 0 HA THR A 18 -1.752 6.432 2.611 1.00 0.61 H new ATOM 0 HB THR A 18 -2.454 3.917 3.127 1.00 0.67 H new ATOM 0 HG1 THR A 18 -2.438 4.649 5.368 1.00 0.81 H new ATOM 0 HG21 THR A 18 -0.957 2.936 4.816 1.00 0.69 H new ATOM 0 HG22 THR A 18 -0.216 2.987 3.199 1.00 0.69 H new ATOM 0 HG23 THR A 18 0.266 4.173 4.436 1.00 0.69 H new ATOM 261 N ILE A 19 1.140 5.293 1.712 1.00 0.48 N ATOM 262 CA ILE A 19 2.565 5.564 1.760 1.00 0.50 C ATOM 263 C ILE A 19 2.856 6.892 1.058 1.00 0.57 C ATOM 264 O ILE A 19 3.501 7.761 1.634 1.00 0.68 O ATOM 265 CB ILE A 19 3.306 4.374 1.142 1.00 0.43 C ATOM 266 CG1 ILE A 19 3.246 3.175 2.102 1.00 0.43 C ATOM 267 CG2 ILE A 19 4.767 4.723 0.861 1.00 0.48 C ATOM 268 CD1 ILE A 19 3.323 1.869 1.320 1.00 0.42 C ATOM 0 H ILE A 19 0.867 4.622 0.994 1.00 0.48 H new ATOM 0 HA ILE A 19 2.918 5.673 2.786 1.00 0.50 H new ATOM 0 HB ILE A 19 2.822 4.122 0.199 1.00 0.43 H new ATOM 0 HG12 ILE A 19 4.069 3.229 2.815 1.00 0.43 H new ATOM 0 HG13 ILE A 19 2.322 3.208 2.679 1.00 0.43 H new ATOM 0 HG21 ILE A 19 5.269 3.861 0.423 1.00 0.48 H new ATOM 0 HG22 ILE A 19 4.814 5.562 0.166 1.00 0.48 H new ATOM 0 HG23 ILE A 19 5.262 4.996 1.793 1.00 0.48 H new ATOM 0 HD11 ILE A 19 3.280 1.028 2.012 1.00 0.42 H new ATOM 0 HD12 ILE A 19 2.485 1.811 0.625 1.00 0.42 H new ATOM 0 HD13 ILE A 19 4.259 1.833 0.763 1.00 0.42 H new ATOM 280 N CYS A 20 2.382 7.061 -0.183 1.00 0.55 N ATOM 281 CA CYS A 20 2.589 8.310 -0.913 1.00 0.64 C ATOM 282 C CYS A 20 1.608 9.385 -0.431 1.00 0.60 C ATOM 283 O CYS A 20 1.689 10.520 -0.893 1.00 0.67 O ATOM 284 CB CYS A 20 2.334 8.122 -2.417 1.00 0.82 C ATOM 285 SG CYS A 20 3.302 6.769 -3.134 1.00 1.33 S ATOM 0 H CYS A 20 1.857 6.353 -0.696 1.00 0.55 H new ATOM 0 HA CYS A 20 3.621 8.610 -0.734 1.00 0.64 H new ATOM 0 HB2 CYS A 20 1.274 7.929 -2.579 1.00 0.82 H new ATOM 0 HB3 CYS A 20 2.572 9.049 -2.939 1.00 0.82 H new ATOM 290 N LEU A 21 0.629 9.018 0.406 1.00 0.61 N ATOM 291 CA LEU A 21 -0.516 9.838 0.782 1.00 0.71 C ATOM 292 C LEU A 21 -1.067 10.586 -0.432 1.00 0.78 C ATOM 293 O LEU A 21 -1.210 11.804 -0.424 1.00 1.13 O ATOM 294 CB LEU A 21 -0.147 10.747 1.962 1.00 0.80 C ATOM 295 CG LEU A 21 0.176 9.924 3.220 1.00 0.78 C ATOM 296 CD1 LEU A 21 0.825 10.818 4.272 1.00 0.89 C ATOM 297 CD2 LEU A 21 -1.084 9.296 3.829 1.00 0.82 C ATOM 0 H LEU A 21 0.618 8.102 0.855 1.00 0.61 H new ATOM 0 HA LEU A 21 -1.331 9.202 1.129 1.00 0.71 H new ATOM 0 HB2 LEU A 21 0.713 11.361 1.696 1.00 0.80 H new ATOM 0 HB3 LEU A 21 -0.972 11.428 2.172 1.00 0.80 H new ATOM 0 HG LEU A 21 0.855 9.126 2.919 1.00 0.78 H new ATOM 0 HD11 LEU A 21 1.051 10.229 5.161 1.00 0.89 H new ATOM 0 HD12 LEU A 21 1.747 11.240 3.872 1.00 0.89 H new ATOM 0 HD13 LEU A 21 0.141 11.625 4.536 1.00 0.89 H new ATOM 0 HD21 LEU A 21 -0.813 8.723 4.716 1.00 0.82 H new ATOM 0 HD22 LEU A 21 -1.785 10.083 4.106 1.00 0.82 H new ATOM 0 HD23 LEU A 21 -1.551 8.635 3.099 1.00 0.82 H new ATOM 309 N SER A 22 -1.369 9.832 -1.489 1.00 0.66 N ATOM 310 CA SER A 22 -1.826 10.359 -2.767 1.00 0.71 C ATOM 311 C SER A 22 -2.837 9.382 -3.353 1.00 0.69 C ATOM 312 O SER A 22 -2.701 8.176 -3.157 1.00 0.67 O ATOM 313 CB SER A 22 -0.634 10.512 -3.716 1.00 0.74 C ATOM 314 OG SER A 22 0.263 11.496 -3.246 1.00 1.71 O ATOM 0 H SER A 22 -1.300 8.814 -1.476 1.00 0.66 H new ATOM 0 HA SER A 22 -2.289 11.336 -2.630 1.00 0.71 H new ATOM 0 HB2 SER A 22 -0.116 9.558 -3.811 1.00 0.74 H new ATOM 0 HB3 SER A 22 -0.989 10.783 -4.710 1.00 0.74 H new ATOM 0 HG SER A 22 0.723 11.164 -2.447 1.00 1.71 H new ATOM 320 N ILE A 23 -3.859 9.888 -4.043 1.00 0.71 N ATOM 321 CA ILE A 23 -4.887 9.116 -4.696 1.00 0.74 C ATOM 322 C ILE A 23 -4.226 8.263 -5.777 1.00 0.67 C ATOM 323 O ILE A 23 -3.158 8.599 -6.289 1.00 0.66 O ATOM 324 CB ILE A 23 -5.916 10.104 -5.275 1.00 0.84 C ATOM 325 CG1 ILE A 23 -6.767 10.761 -4.179 1.00 0.99 C ATOM 326 CG2 ILE A 23 -6.886 9.436 -6.253 1.00 0.86 C ATOM 327 CD1 ILE A 23 -6.016 11.459 -3.048 1.00 2.76 C ATOM 0 H ILE A 23 -3.988 10.893 -4.160 1.00 0.71 H new ATOM 0 HA ILE A 23 -5.405 8.445 -4.011 1.00 0.74 H new ATOM 0 HB ILE A 23 -5.318 10.853 -5.794 1.00 0.84 H new ATOM 0 HG12 ILE A 23 -7.424 11.491 -4.651 1.00 0.99 H new ATOM 0 HG13 ILE A 23 -7.406 9.995 -3.740 1.00 0.99 H new ATOM 0 HG21 ILE A 23 -7.590 10.178 -6.631 1.00 0.86 H new ATOM 0 HG22 ILE A 23 -6.327 9.009 -7.085 1.00 0.86 H new ATOM 0 HG23 ILE A 23 -7.433 8.645 -5.740 1.00 0.86 H new ATOM 0 HD11 ILE A 23 -6.731 11.880 -2.342 1.00 2.76 H new ATOM 0 HD12 ILE A 23 -5.380 10.738 -2.534 1.00 2.76 H new ATOM 0 HD13 ILE A 23 -5.399 12.258 -3.460 1.00 2.76 H new ATOM 339 N LEU A 24 -4.873 7.146 -6.072 1.00 0.67 N ATOM 340 CA LEU A 24 -4.485 6.187 -7.093 1.00 0.64 C ATOM 341 C LEU A 24 -5.240 6.496 -8.393 1.00 0.69 C ATOM 342 O LEU A 24 -5.682 7.619 -8.605 1.00 0.77 O ATOM 343 CB LEU A 24 -4.818 4.799 -6.532 1.00 0.67 C ATOM 344 CG LEU A 24 -4.051 4.537 -5.229 1.00 0.65 C ATOM 345 CD1 LEU A 24 -4.591 3.300 -4.544 1.00 0.75 C ATOM 346 CD2 LEU A 24 -2.570 4.355 -5.511 1.00 0.58 C ATOM 0 H LEU A 24 -5.724 6.871 -5.582 1.00 0.67 H new ATOM 0 HA LEU A 24 -3.423 6.235 -7.334 1.00 0.64 H new ATOM 0 HB2 LEU A 24 -5.890 4.724 -6.349 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -4.566 4.035 -7.267 1.00 0.67 H new ATOM 0 HG LEU A 24 -4.184 5.398 -4.575 1.00 0.65 H new ATOM 0 HD11 LEU A 24 -4.039 3.125 -3.621 1.00 0.75 H new ATOM 0 HD12 LEU A 24 -5.647 3.443 -4.314 1.00 0.75 H new ATOM 0 HD13 LEU A 24 -4.477 2.440 -5.204 1.00 0.75 H new ATOM 0 HD21 LEU A 24 -2.042 4.170 -4.576 1.00 0.58 H new ATOM 0 HD22 LEU A 24 -2.429 3.507 -6.181 1.00 0.58 H new ATOM 0 HD23 LEU A 24 -2.175 5.257 -5.979 1.00 0.58 H new ATOM 358 N GLU A 25 -5.409 5.520 -9.274 1.00 0.71 N ATOM 359 CA GLU A 25 -6.391 5.576 -10.342 1.00 0.77 C ATOM 360 C GLU A 25 -6.804 4.157 -10.744 1.00 0.81 C ATOM 361 O GLU A 25 -6.195 3.170 -10.321 1.00 0.85 O ATOM 362 CB GLU A 25 -5.840 6.358 -11.545 1.00 0.76 C ATOM 363 CG GLU A 25 -4.681 5.646 -12.251 1.00 0.77 C ATOM 364 CD GLU A 25 -4.182 6.433 -13.469 1.00 0.89 C ATOM 365 OE1 GLU A 25 -3.116 7.079 -13.350 1.00 2.07 O ATOM 366 OE2 GLU A 25 -4.860 6.372 -14.519 1.00 1.74 O ATOM 0 H GLU A 25 -4.862 4.659 -9.265 1.00 0.71 H new ATOM 0 HA GLU A 25 -7.275 6.103 -9.984 1.00 0.77 H new ATOM 0 HB2 GLU A 25 -6.645 6.525 -12.261 1.00 0.76 H new ATOM 0 HB3 GLU A 25 -5.504 7.339 -11.209 1.00 0.76 H new ATOM 0 HG2 GLU A 25 -3.860 5.505 -11.548 1.00 0.77 H new ATOM 0 HG3 GLU A 25 -5.003 4.654 -12.567 1.00 0.77 H new ATOM 373 N GLU A 26 -7.810 4.061 -11.616 1.00 0.88 N ATOM 374 CA GLU A 26 -8.308 2.787 -12.111 1.00 0.93 C ATOM 375 C GLU A 26 -7.187 2.012 -12.805 1.00 0.85 C ATOM 376 O GLU A 26 -6.560 2.501 -13.743 1.00 1.12 O ATOM 377 CB GLU A 26 -9.497 3.041 -13.052 1.00 1.16 C ATOM 378 CG GLU A 26 -10.017 1.790 -13.781 1.00 1.36 C ATOM 379 CD GLU A 26 -10.503 0.688 -12.836 1.00 1.55 C ATOM 380 OE1 GLU A 26 -11.697 0.327 -12.939 1.00 2.26 O ATOM 381 OE2 GLU A 26 -9.663 0.188 -12.051 1.00 2.86 O ATOM 0 H GLU A 26 -8.300 4.871 -11.997 1.00 0.88 H new ATOM 0 HA GLU A 26 -8.654 2.174 -11.279 1.00 0.93 H new ATOM 0 HB2 GLU A 26 -10.314 3.475 -12.475 1.00 1.16 H new ATOM 0 HB3 GLU A 26 -9.203 3.782 -13.795 1.00 1.16 H new ATOM 0 HG2 GLU A 26 -10.835 2.078 -14.441 1.00 1.36 H new ATOM 0 HG3 GLU A 26 -9.223 1.391 -14.413 1.00 1.36 H new ATOM 388 N GLY A 27 -6.951 0.779 -12.358 1.00 1.04 N ATOM 389 CA GLY A 27 -6.010 -0.133 -12.983 1.00 1.24 C ATOM 390 C GLY A 27 -4.552 0.306 -12.850 1.00 1.11 C ATOM 391 O GLY A 27 -3.719 -0.141 -13.636 1.00 1.26 O ATOM 0 H GLY A 27 -7.417 0.386 -11.540 1.00 1.04 H new ATOM 0 HA2 GLY A 27 -6.125 -1.122 -12.538 1.00 1.24 H new ATOM 0 HA3 GLY A 27 -6.257 -0.228 -14.040 1.00 1.24 H new ATOM 395 N GLU A 28 -4.217 1.150 -11.869 1.00 0.98 N ATOM 396 CA GLU A 28 -2.840 1.565 -11.653 1.00 0.85 C ATOM 397 C GLU A 28 -2.015 0.398 -11.095 1.00 0.75 C ATOM 398 O GLU A 28 -2.546 -0.613 -10.631 1.00 0.78 O ATOM 399 CB GLU A 28 -2.812 2.756 -10.683 1.00 0.81 C ATOM 400 CG GLU A 28 -1.694 3.762 -10.995 1.00 0.97 C ATOM 401 CD GLU A 28 -1.462 4.765 -9.862 1.00 1.46 C ATOM 402 OE1 GLU A 28 -2.224 4.762 -8.869 1.00 2.52 O ATOM 403 OE2 GLU A 28 -0.428 5.468 -9.908 1.00 2.04 O ATOM 0 H GLU A 28 -4.886 1.556 -11.215 1.00 0.98 H new ATOM 0 HA GLU A 28 -2.401 1.869 -12.603 1.00 0.85 H new ATOM 0 HB2 GLU A 28 -3.774 3.268 -10.718 1.00 0.81 H new ATOM 0 HB3 GLU A 28 -2.685 2.385 -9.666 1.00 0.81 H new ATOM 0 HG2 GLU A 28 -0.768 3.220 -11.189 1.00 0.97 H new ATOM 0 HG3 GLU A 28 -1.944 4.304 -11.907 1.00 0.97 H new ATOM 410 N ASP A 29 -0.693 0.556 -11.090 1.00 0.70 N ATOM 411 CA ASP A 29 0.220 -0.410 -10.504 1.00 0.63 C ATOM 412 C ASP A 29 0.044 -0.392 -8.988 1.00 0.57 C ATOM 413 O ASP A 29 0.608 0.449 -8.281 1.00 0.56 O ATOM 414 CB ASP A 29 1.678 -0.105 -10.861 1.00 0.71 C ATOM 415 CG ASP A 29 1.912 0.074 -12.355 1.00 1.44 C ATOM 416 OD1 ASP A 29 2.360 1.178 -12.733 1.00 2.37 O ATOM 417 OD2 ASP A 29 1.636 -0.897 -13.093 1.00 2.38 O ATOM 0 H ASP A 29 -0.226 1.366 -11.497 1.00 0.70 H new ATOM 0 HA ASP A 29 -0.014 -1.396 -10.906 1.00 0.63 H new ATOM 0 HB2 ASP A 29 1.989 0.801 -10.341 1.00 0.71 H new ATOM 0 HB3 ASP A 29 2.310 -0.915 -10.497 1.00 0.71 H new ATOM 422 N VAL A 30 -0.722 -1.339 -8.460 1.00 0.61 N ATOM 423 CA VAL A 30 -1.004 -1.442 -7.044 1.00 0.60 C ATOM 424 C VAL A 30 -0.773 -2.883 -6.636 1.00 0.61 C ATOM 425 O VAL A 30 -0.492 -3.749 -7.469 1.00 0.70 O ATOM 426 CB VAL A 30 -2.417 -0.923 -6.708 1.00 0.65 C ATOM 427 CG1 VAL A 30 -2.592 0.521 -7.185 1.00 0.66 C ATOM 428 CG2 VAL A 30 -3.527 -1.788 -7.316 1.00 0.79 C ATOM 0 H VAL A 30 -1.169 -2.066 -9.018 1.00 0.61 H new ATOM 0 HA VAL A 30 -0.335 -0.803 -6.467 1.00 0.60 H new ATOM 0 HB VAL A 30 -2.508 -0.973 -5.623 1.00 0.65 H new ATOM 0 HG11 VAL A 30 -3.596 0.867 -6.938 1.00 0.66 H new ATOM 0 HG12 VAL A 30 -1.857 1.158 -6.693 1.00 0.66 H new ATOM 0 HG13 VAL A 30 -2.448 0.568 -8.264 1.00 0.66 H new ATOM 0 HG21 VAL A 30 -4.499 -1.375 -7.046 1.00 0.79 H new ATOM 0 HG22 VAL A 30 -3.426 -1.800 -8.401 1.00 0.79 H new ATOM 0 HG23 VAL A 30 -3.446 -2.805 -6.933 1.00 0.79 H new ATOM 438 N ARG A 31 -0.842 -3.130 -5.337 1.00 0.63 N ATOM 439 CA ARG A 31 -0.561 -4.410 -4.738 1.00 0.55 C ATOM 440 C ARG A 31 -1.471 -4.532 -3.526 1.00 0.52 C ATOM 441 O ARG A 31 -2.088 -3.552 -3.103 1.00 0.63 O ATOM 442 CB ARG A 31 0.917 -4.466 -4.321 1.00 0.59 C ATOM 443 CG ARG A 31 1.767 -5.363 -5.225 1.00 0.87 C ATOM 444 CD ARG A 31 3.217 -5.228 -4.753 1.00 1.76 C ATOM 445 NE ARG A 31 4.139 -6.158 -5.419 1.00 1.99 N ATOM 446 CZ ARG A 31 5.468 -6.096 -5.259 1.00 3.24 C ATOM 447 NH1 ARG A 31 6.269 -7.014 -5.800 1.00 3.68 N ATOM 448 NH2 ARG A 31 6.002 -5.112 -4.544 1.00 4.74 N ATOM 0 H ARG A 31 -1.104 -2.418 -4.656 1.00 0.63 H new ATOM 0 HA ARG A 31 -0.740 -5.231 -5.432 1.00 0.55 H new ATOM 0 HB2 ARG A 31 1.329 -3.457 -4.331 1.00 0.59 H new ATOM 0 HB3 ARG A 31 0.985 -4.827 -3.295 1.00 0.59 H new ATOM 0 HG2 ARG A 31 1.436 -6.399 -5.161 1.00 0.87 H new ATOM 0 HG3 ARG A 31 1.671 -5.061 -6.268 1.00 0.87 H new ATOM 0 HD2 ARG A 31 3.554 -4.206 -4.928 1.00 1.76 H new ATOM 0 HD3 ARG A 31 3.258 -5.397 -3.677 1.00 1.76 H new ATOM 0 HE ARG A 31 3.752 -6.880 -6.027 1.00 1.99 H new ATOM 0 HH11 ARG A 31 5.872 -7.779 -6.346 1.00 3.68 H new ATOM 0 HH12 ARG A 31 7.279 -6.951 -5.668 1.00 3.68 H new ATOM 0 HH21 ARG A 31 5.401 -4.406 -4.119 1.00 4.74 H new ATOM 0 HH22 ARG A 31 7.013 -5.062 -4.420 1.00 4.74 H new ATOM 462 N ARG A 32 -1.536 -5.727 -2.949 1.00 0.54 N ATOM 463 CA ARG A 32 -2.457 -6.022 -1.870 1.00 0.58 C ATOM 464 C ARG A 32 -1.683 -6.822 -0.834 1.00 0.56 C ATOM 465 O ARG A 32 -0.914 -7.699 -1.217 1.00 0.77 O ATOM 466 CB ARG A 32 -3.634 -6.817 -2.449 1.00 0.74 C ATOM 467 CG ARG A 32 -4.960 -6.530 -1.745 1.00 1.40 C ATOM 468 CD ARG A 32 -4.890 -6.752 -0.229 1.00 0.69 C ATOM 469 NE ARG A 32 -6.181 -7.208 0.304 1.00 1.47 N ATOM 470 CZ ARG A 32 -7.307 -6.485 0.338 1.00 2.04 C ATOM 471 NH1 ARG A 32 -8.449 -7.052 0.729 1.00 2.51 N ATOM 472 NH2 ARG A 32 -7.287 -5.198 -0.011 1.00 3.43 N ATOM 0 H ARG A 32 -0.949 -6.516 -3.220 1.00 0.54 H new ATOM 0 HA ARG A 32 -2.860 -5.125 -1.400 1.00 0.58 H new ATOM 0 HB2 ARG A 32 -3.735 -6.584 -3.509 1.00 0.74 H new ATOM 0 HB3 ARG A 32 -3.415 -7.882 -2.377 1.00 0.74 H new ATOM 0 HG2 ARG A 32 -5.255 -5.500 -1.943 1.00 1.40 H new ATOM 0 HG3 ARG A 32 -5.735 -7.170 -2.166 1.00 1.40 H new ATOM 0 HD2 ARG A 32 -4.120 -7.489 -0.002 1.00 0.69 H new ATOM 0 HD3 ARG A 32 -4.598 -5.824 0.263 1.00 0.69 H new ATOM 0 HE ARG A 32 -6.223 -8.155 0.680 1.00 1.47 H new ATOM 0 HH11 ARG A 32 -8.463 -8.035 1.001 1.00 2.51 H new ATOM 0 HH12 ARG A 32 -9.308 -6.503 0.756 1.00 2.51 H new ATOM 0 HH21 ARG A 32 -6.413 -4.763 -0.305 1.00 3.43 H new ATOM 0 HH22 ARG A 32 -8.146 -4.649 0.016 1.00 3.43 H new ATOM 486 N LEU A 33 -1.862 -6.522 0.452 1.00 0.49 N ATOM 487 CA LEU A 33 -1.158 -7.190 1.536 1.00 0.43 C ATOM 488 C LEU A 33 -2.162 -7.979 2.364 1.00 0.47 C ATOM 489 O LEU A 33 -3.366 -7.725 2.270 1.00 0.57 O ATOM 490 CB LEU A 33 -0.363 -6.192 2.402 1.00 0.50 C ATOM 491 CG LEU A 33 -0.281 -4.765 1.863 1.00 0.67 C ATOM 492 CD1 LEU A 33 0.274 -3.860 2.960 1.00 0.85 C ATOM 493 CD2 LEU A 33 0.643 -4.648 0.648 1.00 1.27 C ATOM 0 H LEU A 33 -2.508 -5.799 0.770 1.00 0.49 H new ATOM 0 HA LEU A 33 -0.424 -7.877 1.115 1.00 0.43 H new ATOM 0 HB2 LEU A 33 -0.814 -6.161 3.394 1.00 0.50 H new ATOM 0 HB3 LEU A 33 0.651 -6.573 2.525 1.00 0.50 H new ATOM 0 HG LEU A 33 -1.286 -4.474 1.557 1.00 0.67 H new ATOM 0 HD11 LEU A 33 0.338 -2.837 2.590 1.00 0.85 H new ATOM 0 HD12 LEU A 33 -0.387 -3.891 3.826 1.00 0.85 H new ATOM 0 HD13 LEU A 33 1.267 -4.205 3.248 1.00 0.85 H new ATOM 0 HD21 LEU A 33 0.665 -3.613 0.306 1.00 1.27 H new ATOM 0 HD22 LEU A 33 1.650 -4.959 0.925 1.00 1.27 H new ATOM 0 HD23 LEU A 33 0.273 -5.288 -0.153 1.00 1.27 H new ATOM 505 N PRO A 34 -1.684 -8.911 3.201 1.00 0.47 N ATOM 506 CA PRO A 34 -2.552 -9.802 3.951 1.00 0.58 C ATOM 507 C PRO A 34 -3.439 -8.987 4.881 1.00 0.61 C ATOM 508 O PRO A 34 -4.619 -9.281 5.046 1.00 0.65 O ATOM 509 CB PRO A 34 -1.627 -10.760 4.702 1.00 0.65 C ATOM 510 CG PRO A 34 -0.285 -10.031 4.777 1.00 0.54 C ATOM 511 CD PRO A 34 -0.293 -9.045 3.610 1.00 0.42 C ATOM 0 HA PRO A 34 -3.227 -10.371 3.312 1.00 0.58 H new ATOM 0 HB2 PRO A 34 -2.012 -10.983 5.697 1.00 0.65 H new ATOM 0 HB3 PRO A 34 -1.532 -11.711 4.177 1.00 0.65 H new ATOM 0 HG2 PRO A 34 -0.172 -9.512 5.729 1.00 0.54 H new ATOM 0 HG3 PRO A 34 0.547 -10.730 4.695 1.00 0.54 H new ATOM 0 HD2 PRO A 34 0.119 -8.082 3.911 1.00 0.42 H new ATOM 0 HD3 PRO A 34 0.321 -9.411 2.787 1.00 0.42 H new ATOM 519 N CYS A 35 -2.891 -7.906 5.436 1.00 0.69 N ATOM 520 CA CYS A 35 -3.574 -7.039 6.372 1.00 0.89 C ATOM 521 C CYS A 35 -4.354 -5.934 5.637 1.00 1.00 C ATOM 522 O CYS A 35 -4.289 -4.756 6.052 1.00 1.53 O ATOM 523 CB CYS A 35 -2.465 -6.482 7.259 1.00 1.30 C ATOM 524 SG CYS A 35 -1.505 -5.280 6.301 1.00 2.34 S ATOM 0 H CYS A 35 -1.936 -7.609 5.236 1.00 0.69 H new ATOM 0 HA CYS A 35 -4.326 -7.564 6.961 1.00 0.89 H new ATOM 0 HB2 CYS A 35 -2.891 -6.007 8.143 1.00 1.30 H new ATOM 0 HB3 CYS A 35 -1.820 -7.288 7.609 1.00 1.30 H new ATOM 529 N MET A 36 -5.033 -6.358 4.559 1.00 0.84 N ATOM 530 CA MET A 36 -5.979 -5.696 3.675 1.00 0.92 C ATOM 531 C MET A 36 -5.684 -4.225 3.501 1.00 1.07 C ATOM 532 O MET A 36 -6.494 -3.350 3.789 1.00 1.63 O ATOM 533 CB MET A 36 -7.433 -6.008 4.041 1.00 0.90 C ATOM 534 CG MET A 36 -7.807 -5.629 5.471 1.00 2.30 C ATOM 535 SD MET A 36 -9.540 -5.990 5.848 1.00 3.16 S ATOM 536 CE MET A 36 -9.443 -5.980 7.653 1.00 4.72 C ATOM 0 H MET A 36 -4.902 -7.322 4.251 1.00 0.84 H new ATOM 0 HA MET A 36 -5.838 -6.123 2.682 1.00 0.92 H new ATOM 0 HB2 MET A 36 -8.092 -5.480 3.352 1.00 0.90 H new ATOM 0 HB3 MET A 36 -7.612 -7.074 3.900 1.00 0.90 H new ATOM 0 HG2 MET A 36 -7.166 -6.170 6.167 1.00 2.30 H new ATOM 0 HG3 MET A 36 -7.618 -4.566 5.624 1.00 2.30 H new ATOM 0 HE1 MET A 36 -10.428 -6.186 8.071 1.00 4.72 H new ATOM 0 HE2 MET A 36 -8.741 -6.745 7.984 1.00 4.72 H new ATOM 0 HE3 MET A 36 -9.102 -5.002 7.994 1.00 4.72 H new ATOM 546 N HIS A 37 -4.516 -3.979 2.926 1.00 0.81 N ATOM 547 CA HIS A 37 -4.111 -2.655 2.515 1.00 0.79 C ATOM 548 C HIS A 37 -3.847 -2.683 1.007 1.00 0.60 C ATOM 549 O HIS A 37 -3.480 -3.730 0.470 1.00 0.87 O ATOM 550 CB HIS A 37 -2.917 -2.228 3.377 1.00 0.93 C ATOM 551 CG HIS A 37 -3.330 -1.452 4.605 1.00 1.17 C ATOM 552 ND1 HIS A 37 -3.329 -1.870 5.946 1.00 1.15 N ATOM 553 CD2 HIS A 37 -3.819 -0.176 4.546 1.00 1.58 C ATOM 554 CE1 HIS A 37 -3.797 -0.825 6.646 1.00 1.44 C ATOM 555 NE2 HIS A 37 -4.094 0.208 5.837 1.00 1.72 N ATOM 0 H HIS A 37 -3.822 -4.702 2.733 1.00 0.81 H new ATOM 0 HA HIS A 37 -4.882 -1.901 2.674 1.00 0.79 H new ATOM 0 HB2 HIS A 37 -2.360 -3.114 3.683 1.00 0.93 H new ATOM 0 HB3 HIS A 37 -2.241 -1.618 2.777 1.00 0.93 H new ATOM 0 HD2 HIS A 37 -3.962 0.417 3.655 1.00 1.58 H new ATOM 0 HE1 HIS A 37 -3.919 -0.815 7.719 1.00 1.44 H new ATOM 0 HE2 HIS A 37 -4.458 1.115 6.129 1.00 1.72 H new ATOM 563 N LEU A 38 -4.091 -1.557 0.324 1.00 0.70 N ATOM 564 CA LEU A 38 -3.973 -1.409 -1.125 1.00 0.64 C ATOM 565 C LEU A 38 -2.966 -0.296 -1.351 1.00 0.54 C ATOM 566 O LEU A 38 -3.283 0.869 -1.123 1.00 0.60 O ATOM 567 CB LEU A 38 -5.345 -1.068 -1.736 1.00 0.98 C ATOM 568 CG LEU A 38 -5.388 -1.143 -3.274 1.00 0.84 C ATOM 569 CD1 LEU A 38 -6.822 -1.432 -3.729 1.00 1.62 C ATOM 570 CD2 LEU A 38 -4.964 0.164 -3.941 1.00 1.85 C ATOM 0 H LEU A 38 -4.386 -0.696 0.785 1.00 0.70 H new ATOM 0 HA LEU A 38 -3.641 -2.329 -1.606 1.00 0.64 H new ATOM 0 HB2 LEU A 38 -6.091 -1.751 -1.329 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -5.629 -0.063 -1.424 1.00 0.98 H new ATOM 0 HG LEU A 38 -4.694 -1.931 -3.565 1.00 0.84 H new ATOM 0 HD11 LEU A 38 -6.855 -1.485 -4.817 1.00 1.62 H new ATOM 0 HD12 LEU A 38 -7.153 -2.382 -3.309 1.00 1.62 H new ATOM 0 HD13 LEU A 38 -7.481 -0.634 -3.385 1.00 1.62 H new ATOM 0 HD21 LEU A 38 -5.014 0.053 -5.024 1.00 1.85 H new ATOM 0 HD22 LEU A 38 -5.632 0.966 -3.628 1.00 1.85 H new ATOM 0 HD23 LEU A 38 -3.943 0.408 -3.648 1.00 1.85 H new ATOM 582 N PHE A 39 -1.741 -0.651 -1.727 1.00 0.48 N ATOM 583 CA PHE A 39 -0.619 0.275 -1.807 1.00 0.48 C ATOM 584 C PHE A 39 -0.068 0.194 -3.230 1.00 0.46 C ATOM 585 O PHE A 39 -0.217 -0.839 -3.875 1.00 0.62 O ATOM 586 CB PHE A 39 0.448 -0.122 -0.766 1.00 0.54 C ATOM 587 CG PHE A 39 0.121 0.064 0.717 1.00 0.62 C ATOM 588 CD1 PHE A 39 -1.001 0.790 1.162 1.00 1.69 C ATOM 589 CD2 PHE A 39 0.987 -0.484 1.682 1.00 1.78 C ATOM 590 CE1 PHE A 39 -1.285 0.901 2.532 1.00 1.77 C ATOM 591 CE2 PHE A 39 0.731 -0.338 3.058 1.00 1.85 C ATOM 592 CZ PHE A 39 -0.423 0.333 3.486 1.00 0.96 C ATOM 0 H PHE A 39 -1.497 -1.606 -1.989 1.00 0.48 H new ATOM 0 HA PHE A 39 -0.924 1.298 -1.589 1.00 0.48 H new ATOM 0 HB2 PHE A 39 0.691 -1.173 -0.923 1.00 0.54 H new ATOM 0 HB3 PHE A 39 1.351 0.449 -0.981 1.00 0.54 H new ATOM 0 HD1 PHE A 39 -1.649 1.266 0.442 1.00 1.69 H new ATOM 0 HD2 PHE A 39 1.864 -1.026 1.360 1.00 1.78 H new ATOM 0 HE1 PHE A 39 -2.172 1.426 2.855 1.00 1.77 H new ATOM 0 HE2 PHE A 39 1.422 -0.742 3.783 1.00 1.85 H new ATOM 0 HZ PHE A 39 -0.648 0.413 4.539 1.00 0.96 H new ATOM 602 N HIS A 40 0.565 1.256 -3.743 1.00 0.41 N ATOM 603 CA HIS A 40 1.214 1.169 -5.055 1.00 0.42 C ATOM 604 C HIS A 40 2.246 0.054 -5.045 1.00 0.43 C ATOM 605 O HIS A 40 2.827 -0.238 -4.006 1.00 0.50 O ATOM 606 CB HIS A 40 2.000 2.429 -5.408 1.00 0.47 C ATOM 607 CG HIS A 40 1.215 3.608 -5.886 1.00 0.44 C ATOM 608 ND1 HIS A 40 1.188 4.830 -5.230 1.00 0.52 N ATOM 609 CD2 HIS A 40 0.590 3.716 -7.091 1.00 0.48 C ATOM 610 CE1 HIS A 40 0.540 5.671 -6.053 1.00 0.62 C ATOM 611 NE2 HIS A 40 0.161 5.021 -7.170 1.00 0.60 N ATOM 0 H HIS A 40 0.641 2.163 -3.283 1.00 0.41 H new ATOM 0 HA HIS A 40 0.409 1.007 -5.772 1.00 0.42 H new ATOM 0 HB2 HIS A 40 2.565 2.733 -4.527 1.00 0.47 H new ATOM 0 HB3 HIS A 40 2.726 2.170 -6.179 1.00 0.47 H new ATOM 0 HD2 HIS A 40 0.459 2.940 -7.830 1.00 0.48 H new ATOM 0 HE1 HIS A 40 0.351 6.715 -5.849 1.00 0.62 H new ATOM 0 HE2 HIS A 40 -0.359 5.429 -7.947 1.00 0.60 H new ATOM 619 N GLN A 41 2.569 -0.462 -6.227 1.00 0.43 N ATOM 620 CA GLN A 41 3.711 -1.333 -6.435 1.00 0.39 C ATOM 621 C GLN A 41 5.004 -0.671 -5.964 1.00 0.48 C ATOM 622 O GLN A 41 5.671 -1.208 -5.085 1.00 1.08 O ATOM 623 CB GLN A 41 3.744 -1.745 -7.911 1.00 0.45 C ATOM 624 CG GLN A 41 2.864 -2.990 -8.040 1.00 1.51 C ATOM 625 CD GLN A 41 2.604 -3.390 -9.486 1.00 1.55 C ATOM 626 OE1 GLN A 41 3.519 -3.446 -10.295 1.00 1.95 O ATOM 627 NE2 GLN A 41 1.357 -3.690 -9.827 1.00 1.72 N ATOM 0 H GLN A 41 2.034 -0.282 -7.077 1.00 0.43 H new ATOM 0 HA GLN A 41 3.615 -2.236 -5.832 1.00 0.39 H new ATOM 0 HB2 GLN A 41 3.372 -0.941 -8.546 1.00 0.45 H new ATOM 0 HB3 GLN A 41 4.764 -1.957 -8.231 1.00 0.45 H new ATOM 0 HG2 GLN A 41 3.341 -3.820 -7.520 1.00 1.51 H new ATOM 0 HG3 GLN A 41 1.911 -2.807 -7.543 1.00 1.51 H new ATOM 0 HE21 GLN A 41 0.611 -3.635 -9.133 1.00 1.72 H new ATOM 0 HE22 GLN A 41 1.144 -3.975 -10.783 1.00 1.72 H new ATOM 636 N VAL A 42 5.357 0.489 -6.519 1.00 0.52 N ATOM 637 CA VAL A 42 6.631 1.125 -6.196 1.00 0.50 C ATOM 638 C VAL A 42 6.698 1.471 -4.706 1.00 0.46 C ATOM 639 O VAL A 42 7.672 1.137 -4.033 1.00 0.44 O ATOM 640 CB VAL A 42 6.863 2.353 -7.091 1.00 0.54 C ATOM 641 CG1 VAL A 42 8.193 3.043 -6.764 1.00 0.73 C ATOM 642 CG2 VAL A 42 6.890 1.935 -8.567 1.00 0.70 C ATOM 0 H VAL A 42 4.783 1.002 -7.188 1.00 0.52 H new ATOM 0 HA VAL A 42 7.439 0.422 -6.398 1.00 0.50 H new ATOM 0 HB VAL A 42 6.043 3.047 -6.905 1.00 0.54 H new ATOM 0 HG11 VAL A 42 8.325 3.907 -7.416 1.00 0.73 H new ATOM 0 HG12 VAL A 42 8.187 3.370 -5.724 1.00 0.73 H new ATOM 0 HG13 VAL A 42 9.014 2.343 -6.919 1.00 0.73 H new ATOM 0 HG21 VAL A 42 7.055 2.813 -9.191 1.00 0.70 H new ATOM 0 HG22 VAL A 42 7.696 1.219 -8.728 1.00 0.70 H new ATOM 0 HG23 VAL A 42 5.938 1.475 -8.832 1.00 0.70 H new ATOM 652 N CYS A 43 5.664 2.135 -4.177 1.00 0.48 N ATOM 653 CA CYS A 43 5.653 2.535 -2.777 1.00 0.46 C ATOM 654 C CYS A 43 5.836 1.304 -1.892 1.00 0.43 C ATOM 655 O CYS A 43 6.608 1.338 -0.938 1.00 0.40 O ATOM 656 CB CYS A 43 4.316 3.195 -2.432 1.00 0.47 C ATOM 657 SG CYS A 43 4.041 4.667 -3.454 1.00 0.51 S ATOM 0 H CYS A 43 4.830 2.403 -4.700 1.00 0.48 H new ATOM 0 HA CYS A 43 6.465 3.242 -2.607 1.00 0.46 H new ATOM 0 HB2 CYS A 43 3.504 2.484 -2.585 1.00 0.47 H new ATOM 0 HB3 CYS A 43 4.303 3.471 -1.378 1.00 0.47 H new ATOM 662 N VAL A 44 5.093 0.226 -2.161 1.00 0.44 N ATOM 663 CA VAL A 44 5.117 -0.922 -1.281 1.00 0.40 C ATOM 664 C VAL A 44 6.379 -1.757 -1.449 1.00 0.36 C ATOM 665 O VAL A 44 6.703 -2.522 -0.550 1.00 0.34 O ATOM 666 CB VAL A 44 3.845 -1.751 -1.406 1.00 0.49 C ATOM 667 CG1 VAL A 44 3.888 -2.752 -2.547 1.00 0.53 C ATOM 668 CG2 VAL A 44 3.646 -2.541 -0.121 1.00 0.58 C ATOM 0 H VAL A 44 4.480 0.134 -2.971 1.00 0.44 H new ATOM 0 HA VAL A 44 5.146 -0.541 -0.260 1.00 0.40 H new ATOM 0 HB VAL A 44 3.034 -1.049 -1.600 1.00 0.49 H new ATOM 0 HG11 VAL A 44 2.951 -3.308 -2.579 1.00 0.53 H new ATOM 0 HG12 VAL A 44 4.028 -2.223 -3.490 1.00 0.53 H new ATOM 0 HG13 VAL A 44 4.716 -3.444 -2.393 1.00 0.53 H new ATOM 0 HG21 VAL A 44 2.738 -3.139 -0.198 1.00 0.58 H new ATOM 0 HG22 VAL A 44 4.501 -3.198 0.038 1.00 0.58 H new ATOM 0 HG23 VAL A 44 3.557 -1.852 0.719 1.00 0.58 H new ATOM 678 N ASP A 45 7.096 -1.635 -2.564 1.00 0.39 N ATOM 679 CA ASP A 45 8.418 -2.240 -2.680 1.00 0.41 C ATOM 680 C ASP A 45 9.287 -1.660 -1.568 1.00 0.34 C ATOM 681 O ASP A 45 9.706 -2.376 -0.661 1.00 0.36 O ATOM 682 CB ASP A 45 9.037 -2.002 -4.073 1.00 0.51 C ATOM 683 CG ASP A 45 8.851 -3.182 -5.030 1.00 1.66 C ATOM 684 OD1 ASP A 45 8.694 -4.325 -4.539 1.00 2.62 O ATOM 685 OD2 ASP A 45 8.830 -2.934 -6.254 1.00 2.91 O ATOM 0 H ASP A 45 6.786 -1.127 -3.393 1.00 0.39 H new ATOM 0 HA ASP A 45 8.345 -3.322 -2.572 1.00 0.41 H new ATOM 0 HB2 ASP A 45 8.589 -1.112 -4.514 1.00 0.51 H new ATOM 0 HB3 ASP A 45 10.102 -1.800 -3.960 1.00 0.51 H new ATOM 690 N GLN A 46 9.499 -0.344 -1.581 1.00 0.33 N ATOM 691 CA GLN A 46 10.282 0.309 -0.538 1.00 0.38 C ATOM 692 C GLN A 46 9.671 0.107 0.846 1.00 0.37 C ATOM 693 O GLN A 46 10.394 0.026 1.829 1.00 0.43 O ATOM 694 CB GLN A 46 10.438 1.804 -0.856 1.00 0.48 C ATOM 695 CG GLN A 46 11.509 2.067 -1.922 1.00 0.55 C ATOM 696 CD GLN A 46 12.906 2.118 -1.309 1.00 1.33 C ATOM 697 OE1 GLN A 46 13.407 1.129 -0.798 1.00 2.57 O ATOM 698 NE2 GLN A 46 13.563 3.273 -1.333 1.00 2.14 N ATOM 0 H GLN A 46 9.141 0.286 -2.299 1.00 0.33 H new ATOM 0 HA GLN A 46 11.268 -0.155 -0.520 1.00 0.38 H new ATOM 0 HB2 GLN A 46 9.483 2.201 -1.199 1.00 0.48 H new ATOM 0 HB3 GLN A 46 10.698 2.341 0.056 1.00 0.48 H new ATOM 0 HG2 GLN A 46 11.471 1.284 -2.679 1.00 0.55 H new ATOM 0 HG3 GLN A 46 11.297 3.009 -2.427 1.00 0.55 H new ATOM 0 HE21 GLN A 46 13.136 4.094 -1.762 1.00 2.14 H new ATOM 0 HE22 GLN A 46 14.494 3.339 -0.922 1.00 2.14 H new ATOM 707 N ALA A 47 8.352 0.008 0.958 1.00 0.31 N ATOM 708 CA ALA A 47 7.740 -0.239 2.249 1.00 0.33 C ATOM 709 C ALA A 47 8.202 -1.579 2.816 1.00 0.30 C ATOM 710 O ALA A 47 8.701 -1.635 3.932 1.00 0.38 O ATOM 711 CB ALA A 47 6.227 -0.218 2.095 1.00 0.35 C ATOM 0 H ALA A 47 7.697 0.094 0.181 1.00 0.31 H new ATOM 0 HA ALA A 47 8.044 0.541 2.947 1.00 0.33 H new ATOM 0 HB1 ALA A 47 5.760 -0.403 3.062 1.00 0.35 H new ATOM 0 HB2 ALA A 47 5.913 0.756 1.721 1.00 0.35 H new ATOM 0 HB3 ALA A 47 5.922 -0.992 1.391 1.00 0.35 H new ATOM 717 N LEU A 48 8.016 -2.655 2.053 1.00 0.28 N ATOM 718 CA LEU A 48 8.290 -4.020 2.459 1.00 0.33 C ATOM 719 C LEU A 48 9.770 -4.180 2.789 1.00 0.42 C ATOM 720 O LEU A 48 10.096 -4.710 3.850 1.00 0.50 O ATOM 721 CB LEU A 48 7.804 -4.966 1.348 1.00 0.39 C ATOM 722 CG LEU A 48 7.771 -6.449 1.752 1.00 0.54 C ATOM 723 CD1 LEU A 48 6.739 -7.177 0.884 1.00 0.82 C ATOM 724 CD2 LEU A 48 9.121 -7.149 1.562 1.00 0.82 C ATOM 0 H LEU A 48 7.657 -2.590 1.101 1.00 0.28 H new ATOM 0 HA LEU A 48 7.750 -4.277 3.370 1.00 0.33 H new ATOM 0 HB2 LEU A 48 6.803 -4.663 1.040 1.00 0.39 H new ATOM 0 HB3 LEU A 48 8.453 -4.852 0.480 1.00 0.39 H new ATOM 0 HG LEU A 48 7.517 -6.485 2.811 1.00 0.54 H new ATOM 0 HD11 LEU A 48 6.708 -8.230 1.162 1.00 0.82 H new ATOM 0 HD12 LEU A 48 5.756 -6.732 1.037 1.00 0.82 H new ATOM 0 HD13 LEU A 48 7.018 -7.087 -0.166 1.00 0.82 H new ATOM 0 HD21 LEU A 48 9.035 -8.193 1.864 1.00 0.82 H new ATOM 0 HD22 LEU A 48 9.413 -7.097 0.513 1.00 0.82 H new ATOM 0 HD23 LEU A 48 9.876 -6.655 2.174 1.00 0.82 H new ATOM 736 N ILE A 49 10.665 -3.725 1.904 1.00 0.45 N ATOM 737 CA ILE A 49 12.098 -3.819 2.160 1.00 0.57 C ATOM 738 C ILE A 49 12.467 -3.032 3.420 1.00 0.61 C ATOM 739 O ILE A 49 13.311 -3.480 4.191 1.00 0.71 O ATOM 740 CB ILE A 49 12.943 -3.409 0.933 1.00 0.63 C ATOM 741 CG1 ILE A 49 12.961 -1.899 0.671 1.00 0.60 C ATOM 742 CG2 ILE A 49 12.529 -4.208 -0.311 1.00 0.63 C ATOM 743 CD1 ILE A 49 14.185 -1.222 1.302 1.00 0.72 C ATOM 0 H ILE A 49 10.420 -3.292 1.013 1.00 0.45 H new ATOM 0 HA ILE A 49 12.339 -4.866 2.342 1.00 0.57 H new ATOM 0 HB ILE A 49 13.975 -3.665 1.173 1.00 0.63 H new ATOM 0 HG12 ILE A 49 12.960 -1.717 -0.404 1.00 0.60 H new ATOM 0 HG13 ILE A 49 12.052 -1.450 1.071 1.00 0.60 H new ATOM 0 HG21 ILE A 49 13.139 -3.900 -1.161 1.00 0.63 H new ATOM 0 HG22 ILE A 49 12.676 -5.272 -0.125 1.00 0.63 H new ATOM 0 HG23 ILE A 49 11.478 -4.020 -0.531 1.00 0.63 H new ATOM 0 HD11 ILE A 49 14.158 -0.153 1.092 1.00 0.72 H new ATOM 0 HD12 ILE A 49 14.173 -1.380 2.380 1.00 0.72 H new ATOM 0 HD13 ILE A 49 15.095 -1.651 0.882 1.00 0.72 H new ATOM 755 N THR A 50 11.854 -1.863 3.649 1.00 0.58 N ATOM 756 CA THR A 50 12.111 -1.085 4.848 1.00 0.65 C ATOM 757 C THR A 50 11.715 -1.900 6.077 1.00 0.66 C ATOM 758 O THR A 50 12.501 -2.037 7.012 1.00 0.76 O ATOM 759 CB THR A 50 11.380 0.269 4.773 1.00 0.64 C ATOM 760 OG1 THR A 50 12.093 1.146 3.926 1.00 0.68 O ATOM 761 CG2 THR A 50 11.231 0.966 6.128 1.00 0.75 C ATOM 0 H THR A 50 11.177 -1.442 3.013 1.00 0.58 H new ATOM 0 HA THR A 50 13.175 -0.862 4.929 1.00 0.65 H new ATOM 0 HB THR A 50 10.382 0.046 4.395 1.00 0.64 H new ATOM 0 HG1 THR A 50 11.756 1.062 3.010 1.00 0.68 H new ATOM 0 HG21 THR A 50 10.707 1.912 5.995 1.00 0.75 H new ATOM 0 HG22 THR A 50 10.662 0.328 6.805 1.00 0.75 H new ATOM 0 HG23 THR A 50 12.218 1.154 6.551 1.00 0.75 H new ATOM 769 N ASN A 51 10.492 -2.427 6.101 1.00 0.60 N ATOM 770 CA ASN A 51 10.047 -3.333 7.138 1.00 0.62 C ATOM 771 C ASN A 51 8.837 -4.087 6.602 1.00 0.54 C ATOM 772 O ASN A 51 7.846 -3.471 6.225 1.00 0.58 O ATOM 773 CB ASN A 51 9.662 -2.550 8.405 1.00 0.69 C ATOM 774 CG ASN A 51 9.950 -3.353 9.665 1.00 1.45 C ATOM 775 OD1 ASN A 51 10.615 -2.879 10.577 1.00 2.27 O ATOM 776 ND2 ASN A 51 9.481 -4.590 9.761 1.00 2.94 N ATOM 0 H ASN A 51 9.784 -2.231 5.394 1.00 0.60 H new ATOM 0 HA ASN A 51 10.845 -4.026 7.403 1.00 0.62 H new ATOM 0 HB2 ASN A 51 10.215 -1.611 8.436 1.00 0.69 H new ATOM 0 HB3 ASN A 51 8.603 -2.295 8.369 1.00 0.69 H new ATOM 0 HD21 ASN A 51 9.674 -5.146 10.594 1.00 2.94 H new ATOM 0 HD22 ASN A 51 8.927 -4.986 9.002 1.00 2.94 H new ATOM 783 N LYS A 52 8.864 -5.419 6.618 1.00 0.55 N ATOM 784 CA LYS A 52 7.739 -6.232 6.165 1.00 0.52 C ATOM 785 C LYS A 52 6.617 -6.310 7.204 1.00 0.57 C ATOM 786 O LYS A 52 6.219 -7.394 7.607 1.00 1.36 O ATOM 787 CB LYS A 52 8.258 -7.606 5.727 1.00 0.71 C ATOM 788 CG LYS A 52 8.979 -8.412 6.823 1.00 1.61 C ATOM 789 CD LYS A 52 10.189 -9.108 6.194 1.00 1.57 C ATOM 790 CE LYS A 52 10.707 -10.273 7.044 1.00 2.56 C ATOM 791 NZ LYS A 52 11.469 -9.831 8.227 1.00 3.48 N ATOM 0 H LYS A 52 9.663 -5.962 6.944 1.00 0.55 H new ATOM 0 HA LYS A 52 7.277 -5.753 5.302 1.00 0.52 H new ATOM 0 HB2 LYS A 52 7.417 -8.194 5.359 1.00 0.71 H new ATOM 0 HB3 LYS A 52 8.942 -7.469 4.889 1.00 0.71 H new ATOM 0 HG2 LYS A 52 9.298 -7.753 7.631 1.00 1.61 H new ATOM 0 HG3 LYS A 52 8.303 -9.147 7.260 1.00 1.61 H new ATOM 0 HD2 LYS A 52 9.917 -9.477 5.205 1.00 1.57 H new ATOM 0 HD3 LYS A 52 10.989 -8.381 6.054 1.00 1.57 H new ATOM 0 HE2 LYS A 52 9.863 -10.881 7.369 1.00 2.56 H new ATOM 0 HE3 LYS A 52 11.341 -10.911 6.428 1.00 2.56 H new ATOM 0 HZ1 LYS A 52 11.793 -10.662 8.762 1.00 3.48 H new ATOM 0 HZ2 LYS A 52 12.292 -9.274 7.921 1.00 3.48 H new ATOM 0 HZ3 LYS A 52 10.860 -9.245 8.833 1.00 3.48 H new ATOM 805 N LYS A 53 6.066 -5.173 7.629 1.00 0.62 N ATOM 806 CA LYS A 53 4.931 -5.092 8.539 1.00 0.65 C ATOM 807 C LYS A 53 4.076 -3.930 8.057 1.00 0.67 C ATOM 808 O LYS A 53 4.646 -2.911 7.671 1.00 0.87 O ATOM 809 CB LYS A 53 5.409 -4.791 9.965 1.00 0.92 C ATOM 810 CG LYS A 53 6.046 -5.980 10.699 1.00 2.11 C ATOM 811 CD LYS A 53 5.110 -6.513 11.791 1.00 3.24 C ATOM 812 CE LYS A 53 5.825 -7.461 12.759 1.00 4.70 C ATOM 813 NZ LYS A 53 6.839 -6.753 13.571 1.00 4.53 N ATOM 0 H LYS A 53 6.410 -4.258 7.339 1.00 0.62 H new ATOM 0 HA LYS A 53 4.381 -6.033 8.551 1.00 0.65 H new ATOM 0 HB2 LYS A 53 6.133 -3.977 9.925 1.00 0.92 H new ATOM 0 HB3 LYS A 53 4.561 -4.435 10.549 1.00 0.92 H new ATOM 0 HG2 LYS A 53 6.270 -6.774 9.987 1.00 2.11 H new ATOM 0 HG3 LYS A 53 6.993 -5.673 11.144 1.00 2.11 H new ATOM 0 HD2 LYS A 53 4.692 -5.675 12.349 1.00 3.24 H new ATOM 0 HD3 LYS A 53 4.274 -7.035 11.326 1.00 3.24 H new ATOM 0 HE2 LYS A 53 5.093 -7.928 13.418 1.00 4.70 H new ATOM 0 HE3 LYS A 53 6.304 -8.262 12.196 1.00 4.70 H new ATOM 0 HZ1 LYS A 53 7.094 -7.336 14.394 1.00 4.53 H new ATOM 0 HZ2 LYS A 53 7.687 -6.580 12.994 1.00 4.53 H new ATOM 0 HZ3 LYS A 53 6.451 -5.845 13.897 1.00 4.53 H new ATOM 827 N CYS A 54 2.748 -4.054 8.066 1.00 0.63 N ATOM 828 CA CYS A 54 1.912 -2.958 7.582 1.00 0.67 C ATOM 829 C CYS A 54 1.667 -1.968 8.733 1.00 0.93 C ATOM 830 O CYS A 54 1.771 -2.347 9.904 1.00 0.95 O ATOM 831 CB CYS A 54 0.660 -3.530 6.896 1.00 0.71 C ATOM 832 SG CYS A 54 -0.913 -3.524 7.839 1.00 1.86 S ATOM 0 H CYS A 54 2.241 -4.877 8.393 1.00 0.63 H new ATOM 0 HA CYS A 54 2.404 -2.372 6.806 1.00 0.67 H new ATOM 0 HB2 CYS A 54 0.499 -2.972 5.974 1.00 0.71 H new ATOM 0 HB3 CYS A 54 0.876 -4.560 6.612 1.00 0.71 H new ATOM 837 N PRO A 55 1.419 -0.685 8.425 1.00 1.35 N ATOM 838 CA PRO A 55 1.603 0.412 9.366 1.00 1.56 C ATOM 839 C PRO A 55 0.572 0.390 10.489 1.00 1.88 C ATOM 840 O PRO A 55 0.927 0.526 11.658 1.00 2.72 O ATOM 841 CB PRO A 55 1.517 1.693 8.530 1.00 2.10 C ATOM 842 CG PRO A 55 0.705 1.278 7.304 1.00 2.26 C ATOM 843 CD PRO A 55 1.133 -0.174 7.096 1.00 1.68 C ATOM 0 HA PRO A 55 2.564 0.335 9.875 1.00 1.56 H new ATOM 0 HB2 PRO A 55 1.028 2.497 9.080 1.00 2.10 H new ATOM 0 HB3 PRO A 55 2.506 2.055 8.250 1.00 2.10 H new ATOM 0 HG2 PRO A 55 -0.367 1.363 7.480 1.00 2.26 H new ATOM 0 HG3 PRO A 55 0.936 1.897 6.437 1.00 2.26 H new ATOM 0 HD2 PRO A 55 0.344 -0.751 6.614 1.00 1.68 H new ATOM 0 HD3 PRO A 55 2.011 -0.237 6.453 1.00 1.68 H new ATOM 851 N ILE A 56 -0.707 0.229 10.148 1.00 1.89 N ATOM 852 CA ILE A 56 -1.782 0.165 11.125 1.00 2.20 C ATOM 853 C ILE A 56 -2.464 -1.181 10.918 1.00 2.11 C ATOM 854 O ILE A 56 -3.565 -1.303 10.385 1.00 2.92 O ATOM 855 CB ILE A 56 -2.649 1.439 11.080 1.00 2.52 C ATOM 856 CG1 ILE A 56 -3.536 1.606 12.331 1.00 4.24 C ATOM 857 CG2 ILE A 56 -3.434 1.629 9.774 1.00 2.22 C ATOM 858 CD1 ILE A 56 -4.535 0.480 12.620 1.00 6.01 C ATOM 0 H ILE A 56 -1.022 0.140 9.182 1.00 1.89 H new ATOM 0 HA ILE A 56 -1.446 0.182 12.162 1.00 2.20 H new ATOM 0 HB ILE A 56 -1.928 2.257 11.094 1.00 2.52 H new ATOM 0 HG12 ILE A 56 -2.885 1.714 13.198 1.00 4.24 H new ATOM 0 HG13 ILE A 56 -4.093 2.538 12.232 1.00 4.24 H new ATOM 0 HG21 ILE A 56 -4.016 2.549 9.830 1.00 2.22 H new ATOM 0 HG22 ILE A 56 -2.738 1.690 8.937 1.00 2.22 H new ATOM 0 HG23 ILE A 56 -4.106 0.783 9.627 1.00 2.22 H new ATOM 0 HD11 ILE A 56 -5.097 0.716 13.524 1.00 6.01 H new ATOM 0 HD12 ILE A 56 -5.223 0.379 11.780 1.00 6.01 H new ATOM 0 HD13 ILE A 56 -3.996 -0.457 12.762 1.00 6.01 H new ATOM 870 N CYS A 57 -1.718 -2.201 11.333 1.00 1.80 N ATOM 871 CA CYS A 57 -2.147 -3.577 11.503 1.00 1.78 C ATOM 872 C CYS A 57 -0.997 -4.326 12.182 1.00 1.81 C ATOM 873 O CYS A 57 -1.237 -5.141 13.067 1.00 2.80 O ATOM 874 CB CYS A 57 -2.571 -4.217 10.166 1.00 1.53 C ATOM 875 SG CYS A 57 -1.744 -3.546 8.678 1.00 1.82 S ATOM 0 H CYS A 57 -0.735 -2.075 11.574 1.00 1.80 H new ATOM 0 HA CYS A 57 -3.039 -3.628 12.128 1.00 1.78 H new ATOM 0 HB2 CYS A 57 -2.376 -5.288 10.217 1.00 1.53 H new ATOM 0 HB3 CYS A 57 -3.648 -4.094 10.049 1.00 1.53 H new ATOM 880 N ARG A 58 0.259 -4.021 11.820 1.00 1.14 N ATOM 881 CA ARG A 58 1.449 -4.544 12.500 1.00 1.02 C ATOM 882 C ARG A 58 1.590 -6.048 12.262 1.00 1.09 C ATOM 883 O ARG A 58 2.323 -6.723 12.984 1.00 1.49 O ATOM 884 CB ARG A 58 1.407 -4.195 14.006 1.00 1.12 C ATOM 885 CG ARG A 58 2.795 -4.086 14.654 1.00 1.27 C ATOM 886 CD ARG A 58 2.662 -3.751 16.149 1.00 1.60 C ATOM 887 NE ARG A 58 3.716 -2.826 16.600 1.00 1.98 N ATOM 888 CZ ARG A 58 4.918 -3.139 17.100 1.00 2.93 C ATOM 889 NH1 ARG A 58 5.777 -2.167 17.414 1.00 3.68 N ATOM 890 NH2 ARG A 58 5.268 -4.413 17.285 1.00 4.01 N ATOM 0 H ARG A 58 0.476 -3.400 11.041 1.00 1.14 H new ATOM 0 HA ARG A 58 2.335 -4.068 12.079 1.00 1.02 H new ATOM 0 HB2 ARG A 58 0.880 -3.250 14.136 1.00 1.12 H new ATOM 0 HB3 ARG A 58 0.830 -4.957 14.530 1.00 1.12 H new ATOM 0 HG2 ARG A 58 3.336 -5.025 14.531 1.00 1.27 H new ATOM 0 HG3 ARG A 58 3.378 -3.314 14.152 1.00 1.27 H new ATOM 0 HD2 ARG A 58 1.684 -3.307 16.336 1.00 1.60 H new ATOM 0 HD3 ARG A 58 2.711 -4.670 16.733 1.00 1.60 H new ATOM 0 HE ARG A 58 3.506 -1.831 16.522 1.00 1.98 H new ATOM 0 HH11 ARG A 58 5.517 -1.191 17.273 1.00 3.68 H new ATOM 0 HH12 ARG A 58 6.694 -2.400 17.795 1.00 3.68 H new ATOM 0 HH21 ARG A 58 4.617 -5.161 17.045 1.00 4.01 H new ATOM 0 HH22 ARG A 58 6.186 -4.639 17.667 1.00 4.01 H new ATOM 904 N VAL A 59 0.922 -6.566 11.231 1.00 0.95 N ATOM 905 CA VAL A 59 1.009 -7.959 10.833 1.00 1.01 C ATOM 906 C VAL A 59 2.113 -8.040 9.786 1.00 0.86 C ATOM 907 O VAL A 59 2.380 -7.059 9.088 1.00 0.78 O ATOM 908 CB VAL A 59 -0.361 -8.412 10.297 1.00 1.14 C ATOM 909 CG1 VAL A 59 -0.374 -9.883 9.870 1.00 1.91 C ATOM 910 CG2 VAL A 59 -1.443 -8.244 11.371 1.00 1.78 C ATOM 0 H VAL A 59 0.297 -6.015 10.643 1.00 0.95 H new ATOM 0 HA VAL A 59 1.254 -8.625 11.661 1.00 1.01 H new ATOM 0 HB VAL A 59 -0.560 -7.784 9.428 1.00 1.14 H new ATOM 0 HG11 VAL A 59 -1.365 -10.146 9.501 1.00 1.91 H new ATOM 0 HG12 VAL A 59 0.361 -10.039 9.080 1.00 1.91 H new ATOM 0 HG13 VAL A 59 -0.127 -10.512 10.725 1.00 1.91 H new ATOM 0 HG21 VAL A 59 -2.404 -8.569 10.973 1.00 1.78 H new ATOM 0 HG22 VAL A 59 -1.188 -8.847 12.242 1.00 1.78 H new ATOM 0 HG23 VAL A 59 -1.507 -7.196 11.662 1.00 1.78 H new ATOM 920 N ASP A 60 2.784 -9.188 9.720 1.00 0.89 N ATOM 921 CA ASP A 60 3.796 -9.462 8.711 1.00 0.81 C ATOM 922 C ASP A 60 3.116 -9.538 7.347 1.00 0.70 C ATOM 923 O ASP A 60 1.990 -10.027 7.243 1.00 0.79 O ATOM 924 CB ASP A 60 4.493 -10.783 9.053 1.00 0.95 C ATOM 925 CG ASP A 60 5.729 -11.067 8.193 1.00 1.07 C ATOM 926 OD1 ASP A 60 5.994 -10.287 7.252 1.00 1.64 O ATOM 927 OD2 ASP A 60 6.429 -12.046 8.529 1.00 2.01 O ATOM 0 H ASP A 60 2.637 -9.958 10.372 1.00 0.89 H new ATOM 0 HA ASP A 60 4.546 -8.671 8.686 1.00 0.81 H new ATOM 0 HB2 ASP A 60 4.787 -10.768 10.102 1.00 0.95 H new ATOM 0 HB3 ASP A 60 3.782 -11.601 8.933 1.00 0.95 H new ATOM 932 N ILE A 61 3.781 -9.053 6.304 1.00 0.57 N ATOM 933 CA ILE A 61 3.272 -9.111 4.947 1.00 0.52 C ATOM 934 C ILE A 61 4.150 -9.929 4.006 1.00 0.63 C ATOM 935 O ILE A 61 3.726 -10.225 2.890 1.00 0.67 O ATOM 936 CB ILE A 61 3.092 -7.699 4.411 1.00 0.42 C ATOM 937 CG1 ILE A 61 4.451 -7.016 4.220 1.00 0.48 C ATOM 938 CG2 ILE A 61 2.190 -6.864 5.327 1.00 0.40 C ATOM 939 CD1 ILE A 61 4.232 -5.686 3.531 1.00 0.48 C ATOM 0 H ILE A 61 4.695 -8.606 6.382 1.00 0.57 H new ATOM 0 HA ILE A 61 2.311 -9.624 4.987 1.00 0.52 H new ATOM 0 HB ILE A 61 2.602 -7.772 3.440 1.00 0.42 H new ATOM 0 HG12 ILE A 61 4.938 -6.867 5.184 1.00 0.48 H new ATOM 0 HG13 ILE A 61 5.111 -7.647 3.624 1.00 0.48 H new ATOM 0 HG21 ILE A 61 2.082 -5.861 4.915 1.00 0.40 H new ATOM 0 HG22 ILE A 61 1.209 -7.334 5.399 1.00 0.40 H new ATOM 0 HG23 ILE A 61 2.636 -6.803 6.320 1.00 0.40 H new ATOM 0 HD11 ILE A 61 5.191 -5.188 3.388 1.00 0.48 H new ATOM 0 HD12 ILE A 61 3.761 -5.851 2.562 1.00 0.48 H new ATOM 0 HD13 ILE A 61 3.586 -5.060 4.146 1.00 0.48 H new ATOM 951 N GLU A 62 5.381 -10.239 4.410 1.00 0.73 N ATOM 952 CA GLU A 62 6.269 -11.076 3.616 1.00 0.91 C ATOM 953 C GLU A 62 5.571 -12.399 3.291 1.00 0.99 C ATOM 954 O GLU A 62 5.001 -13.040 4.174 1.00 1.32 O ATOM 955 CB GLU A 62 7.583 -11.343 4.360 1.00 1.06 C ATOM 956 CG GLU A 62 8.696 -11.640 3.345 1.00 1.52 C ATOM 957 CD GLU A 62 9.822 -12.481 3.948 1.00 1.74 C ATOM 958 OE1 GLU A 62 10.010 -13.617 3.458 1.00 2.73 O ATOM 959 OE2 GLU A 62 10.478 -11.980 4.888 1.00 2.39 O ATOM 0 H GLU A 62 5.785 -9.918 5.290 1.00 0.73 H new ATOM 0 HA GLU A 62 6.506 -10.552 2.690 1.00 0.91 H new ATOM 0 HB2 GLU A 62 7.851 -10.478 4.967 1.00 1.06 H new ATOM 0 HB3 GLU A 62 7.463 -12.186 5.041 1.00 1.06 H new ATOM 0 HG2 GLU A 62 8.273 -12.164 2.488 1.00 1.52 H new ATOM 0 HG3 GLU A 62 9.106 -10.701 2.973 1.00 1.52 H new ATOM 966 N ALA A 63 5.599 -12.817 2.025 1.00 1.85 N ATOM 967 CA ALA A 63 4.921 -14.029 1.609 1.00 2.02 C ATOM 968 C ALA A 63 5.666 -14.629 0.423 1.00 3.10 C ATOM 969 O ALA A 63 5.281 -14.406 -0.721 1.00 4.10 O ATOM 970 CB ALA A 63 3.466 -13.703 1.256 1.00 2.05 C ATOM 0 H ALA A 63 6.087 -12.328 1.274 1.00 1.85 H new ATOM 0 HA ALA A 63 4.913 -14.761 2.416 1.00 2.02 H new ATOM 0 HB1 ALA A 63 2.955 -14.613 0.943 1.00 2.05 H new ATOM 0 HB2 ALA A 63 2.964 -13.287 2.130 1.00 2.05 H new ATOM 0 HB3 ALA A 63 3.443 -12.976 0.444 1.00 2.05 H new ATOM 976 N GLN A 64 6.721 -15.394 0.724 1.00 3.64 N ATOM 977 CA GLN A 64 7.615 -16.034 -0.236 1.00 4.79 C ATOM 978 C GLN A 64 8.600 -14.998 -0.786 1.00 5.65 C ATOM 979 O GLN A 64 8.260 -13.828 -0.947 1.00 6.33 O ATOM 980 CB GLN A 64 6.821 -16.754 -1.341 1.00 5.47 C ATOM 981 CG GLN A 64 7.634 -17.855 -2.028 1.00 6.68 C ATOM 982 CD GLN A 64 6.761 -18.628 -3.015 1.00 7.24 C ATOM 983 OE1 GLN A 64 6.335 -18.096 -4.031 1.00 8.00 O ATOM 984 NE2 GLN A 64 6.473 -19.895 -2.740 1.00 7.40 N ATOM 0 H GLN A 64 6.983 -15.590 1.690 1.00 3.64 H new ATOM 0 HA GLN A 64 8.196 -16.808 0.266 1.00 4.79 H new ATOM 0 HB2 GLN A 64 5.919 -17.189 -0.911 1.00 5.47 H new ATOM 0 HB3 GLN A 64 6.500 -16.026 -2.086 1.00 5.47 H new ATOM 0 HG2 GLN A 64 8.483 -17.415 -2.551 1.00 6.68 H new ATOM 0 HG3 GLN A 64 8.039 -18.537 -1.280 1.00 6.68 H new ATOM 0 HE21 GLN A 64 6.834 -20.327 -1.890 1.00 7.40 H new ATOM 0 HE22 GLN A 64 5.891 -20.436 -3.379 1.00 7.40 H new ATOM 993 N LEU A 65 9.838 -15.418 -1.060 1.00 6.12 N ATOM 994 CA LEU A 65 10.890 -14.496 -1.460 1.00 7.19 C ATOM 995 C LEU A 65 11.730 -15.160 -2.551 1.00 7.98 C ATOM 996 O LEU A 65 12.671 -15.885 -2.243 1.00 8.15 O ATOM 997 CB LEU A 65 11.711 -14.112 -0.217 1.00 7.24 C ATOM 998 CG LEU A 65 12.512 -12.817 -0.437 1.00 8.67 C ATOM 999 CD1 LEU A 65 12.192 -11.837 0.694 1.00 9.68 C ATOM 1000 CD2 LEU A 65 14.016 -13.089 -0.482 1.00 9.24 C ATOM 0 H LEU A 65 10.131 -16.394 -1.010 1.00 6.12 H new ATOM 0 HA LEU A 65 10.484 -13.574 -1.876 1.00 7.19 H new ATOM 0 HB2 LEU A 65 11.043 -13.985 0.635 1.00 7.24 H new ATOM 0 HB3 LEU A 65 12.394 -14.924 0.032 1.00 7.24 H new ATOM 0 HG LEU A 65 12.226 -12.390 -1.398 1.00 8.67 H new ATOM 0 HD11 LEU A 65 12.755 -10.915 0.547 1.00 9.68 H new ATOM 0 HD12 LEU A 65 11.125 -11.615 0.692 1.00 9.68 H new ATOM 0 HD13 LEU A 65 12.468 -12.282 1.650 1.00 9.68 H new ATOM 0 HD21 LEU A 65 14.551 -12.152 -0.639 1.00 9.24 H new ATOM 0 HD22 LEU A 65 14.334 -13.535 0.461 1.00 9.24 H new ATOM 0 HD23 LEU A 65 14.237 -13.774 -1.300 1.00 9.24 H new ATOM 1012 N PRO A 66 11.370 -14.980 -3.830 1.00 8.99 N ATOM 1013 CA PRO A 66 12.043 -15.644 -4.935 1.00 10.13 C ATOM 1014 C PRO A 66 13.425 -15.028 -5.149 1.00 10.63 C ATOM 1015 O PRO A 66 14.417 -15.734 -5.306 1.00 11.12 O ATOM 1016 CB PRO A 66 11.118 -15.460 -6.141 1.00 11.39 C ATOM 1017 CG PRO A 66 10.334 -14.185 -5.821 1.00 11.27 C ATOM 1018 CD PRO A 66 10.241 -14.191 -4.295 1.00 9.61 C ATOM 0 HA PRO A 66 12.219 -16.704 -4.753 1.00 10.13 H new ATOM 0 HB2 PRO A 66 11.685 -15.357 -7.066 1.00 11.39 H new ATOM 0 HB3 PRO A 66 10.454 -16.315 -6.268 1.00 11.39 H new ATOM 0 HG2 PRO A 66 10.848 -13.296 -6.187 1.00 11.27 H new ATOM 0 HG3 PRO A 66 9.347 -14.195 -6.283 1.00 11.27 H new ATOM 0 HD2 PRO A 66 10.283 -13.177 -3.897 1.00 9.61 H new ATOM 0 HD3 PRO A 66 9.298 -14.625 -3.963 1.00 9.61 H new ATOM 1026 N SER A 67 13.488 -13.701 -5.173 1.00 10.82 N ATOM 1027 CA SER A 67 14.716 -12.932 -5.080 1.00 11.32 C ATOM 1028 C SER A 67 14.318 -11.538 -4.598 1.00 11.28 C ATOM 1029 O SER A 67 13.184 -11.115 -4.825 1.00 11.65 O ATOM 1030 CB SER A 67 15.437 -12.904 -6.435 1.00 12.49 C ATOM 1031 OG SER A 67 14.525 -12.757 -7.504 1.00 13.34 O ATOM 0 H SER A 67 12.657 -13.116 -5.261 1.00 10.82 H new ATOM 0 HA SER A 67 15.423 -13.377 -4.379 1.00 11.32 H new ATOM 0 HB2 SER A 67 16.153 -12.082 -6.450 1.00 12.49 H new ATOM 0 HB3 SER A 67 16.006 -13.825 -6.565 1.00 12.49 H new ATOM 0 HG SER A 67 15.015 -12.741 -8.352 1.00 13.34 H new ATOM 1037 N GLU A 68 15.214 -10.845 -3.898 1.00 11.14 N ATOM 1038 CA GLU A 68 14.982 -9.460 -3.511 1.00 11.44 C ATOM 1039 C GLU A 68 15.529 -8.550 -4.608 1.00 11.96 C ATOM 1040 O GLU A 68 16.330 -8.982 -5.439 1.00 12.27 O ATOM 1041 CB GLU A 68 15.644 -9.175 -2.152 1.00 11.30 C ATOM 1042 CG GLU A 68 14.564 -8.890 -1.106 1.00 11.34 C ATOM 1043 CD GLU A 68 15.168 -8.754 0.293 1.00 11.58 C ATOM 1044 OE1 GLU A 68 14.995 -9.705 1.087 1.00 11.36 O ATOM 1045 OE2 GLU A 68 15.803 -7.707 0.546 1.00 12.36 O ATOM 0 H GLU A 68 16.109 -11.224 -3.588 1.00 11.14 H new ATOM 0 HA GLU A 68 13.915 -9.269 -3.398 1.00 11.44 H new ATOM 0 HB2 GLU A 68 16.247 -10.029 -1.844 1.00 11.30 H new ATOM 0 HB3 GLU A 68 16.318 -8.322 -2.236 1.00 11.30 H new ATOM 0 HG2 GLU A 68 14.035 -7.973 -1.367 1.00 11.34 H new ATOM 0 HG3 GLU A 68 13.829 -9.695 -1.111 1.00 11.34 H new ATOM 1052 N SER A 69 15.081 -7.296 -4.633 1.00 12.34 N ATOM 1053 CA SER A 69 15.524 -6.247 -5.540 1.00 12.96 C ATOM 1054 C SER A 69 15.216 -4.906 -4.884 1.00 13.05 C ATOM 1055 O SER A 69 14.393 -4.919 -3.941 1.00 12.83 O ATOM 1056 CB SER A 69 14.775 -6.341 -6.869 1.00 13.57 C ATOM 1057 OG SER A 69 15.236 -7.447 -7.622 1.00 13.90 O ATOM 1058 OXT SER A 69 15.799 -3.905 -5.349 1.00 13.59 O ATOM 0 H SER A 69 14.362 -6.971 -3.986 1.00 12.34 H new ATOM 0 HA SER A 69 16.591 -6.352 -5.737 1.00 12.96 H new ATOM 0 HB2 SER A 69 13.705 -6.440 -6.684 1.00 13.57 H new ATOM 0 HB3 SER A 69 14.916 -5.422 -7.438 1.00 13.57 H new ATOM 0 HG SER A 69 15.780 -8.028 -7.050 1.00 13.90 H new TER 1064 SER A 69 HETATM 1065 ZN ZN A 101 2.013 5.182 -3.364 1.00 0.67 ZN HETATM 1066 ZN ZN A 102 -2.962 -3.806 6.839 1.00 1.37 ZN