USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 688 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 32 MET CE :methyl -128:sc=-0.00795 (180deg=-1.55) USER MOD Set 1.2: A 35 GLN : amide:sc= -0.0537 X(o=-0.062,f=-0.37) USER MOD Set 2.1: A 33 TYR OH : rot -145:sc= -0.872 USER MOD Set 2.2: A 70 HIS : no HD1:sc= -1.92 K(o=-2.8,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0286 (180deg=-0.0137) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.105 K(o=-0.11,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -103:sc= 0.233 USER MOD Single : A 37 MET CE :methyl 142:sc= -1.64 (180deg=-4.79!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.709 X(o=-0.71,f=-0.49) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0616) USER MOD Single : A 71 GLN : amide:sc= -0.868 K(o=-0.87,f=-5.7!) USER MOD Single : A 74 TYR OH : rot 59:sc= -2.04! USER MOD Single : A 76 GLN : amide:sc= -0.94 K(o=-0.94,f=-3.9!) USER MOD Single : A 78 THR OG1 : rot -68:sc= 0.878 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.235 3.528 10.755 1.00 0.00 N ATOM 2 CA MET A 1 -7.131 3.342 9.284 1.00 0.00 C ATOM 3 C MET A 1 -8.175 4.175 8.548 1.00 0.00 C ATOM 4 O MET A 1 -9.243 4.469 9.086 1.00 0.00 O ATOM 5 CB MET A 1 -7.321 1.856 8.966 1.00 0.00 C ATOM 6 CG MET A 1 -6.094 1.010 9.262 1.00 0.00 C ATOM 7 SD MET A 1 -5.049 0.769 7.812 1.00 0.00 S ATOM 8 CE MET A 1 -5.017 -1.019 7.710 1.00 0.00 C ATOM 0 H1 MET A 1 -6.394 4.032 11.102 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.086 4.083 10.975 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.298 2.599 11.219 1.00 0.00 H new ATOM 0 HA MET A 1 -6.149 3.676 8.949 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.163 1.474 9.543 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.581 1.748 7.913 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.511 1.486 10.050 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.410 0.039 9.642 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.408 -1.324 6.859 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.592 -1.428 8.626 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.032 -1.394 7.582 1.00 0.00 H new ATOM 20 N ASP A 2 -7.858 4.556 7.314 1.00 0.00 N ATOM 21 CA ASP A 2 -8.769 5.357 6.503 1.00 0.00 C ATOM 22 C ASP A 2 -10.022 4.561 6.149 1.00 0.00 C ATOM 23 O ASP A 2 -10.182 3.416 6.570 1.00 0.00 O ATOM 24 CB ASP A 2 -8.067 5.831 5.229 1.00 0.00 C ATOM 25 CG ASP A 2 -8.067 7.342 5.097 1.00 0.00 C ATOM 26 OD1 ASP A 2 -7.116 7.981 5.596 1.00 0.00 O ATOM 27 OD2 ASP A 2 -9.017 7.886 4.497 1.00 0.00 O ATOM 0 H ASP A 2 -6.978 4.323 6.854 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.069 6.228 7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.039 5.469 5.228 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.560 5.393 4.361 1.00 0.00 H new ATOM 32 N ARG A 3 -10.908 5.177 5.372 1.00 0.00 N ATOM 33 CA ARG A 3 -12.146 4.525 4.962 1.00 0.00 C ATOM 34 C ARG A 3 -12.486 4.856 3.512 1.00 0.00 C ATOM 35 O ARG A 3 -11.835 5.694 2.887 1.00 0.00 O ATOM 36 CB ARG A 3 -13.297 4.948 5.876 1.00 0.00 C ATOM 37 CG ARG A 3 -13.146 4.462 7.311 1.00 0.00 C ATOM 38 CD ARG A 3 -14.021 3.248 7.586 1.00 0.00 C ATOM 39 NE ARG A 3 -15.050 3.532 8.583 1.00 0.00 N ATOM 40 CZ ARG A 3 -15.702 2.590 9.263 1.00 0.00 C ATOM 41 NH1 ARG A 3 -15.437 1.306 9.054 1.00 0.00 N ATOM 42 NH2 ARG A 3 -16.622 2.934 10.156 1.00 0.00 N ATOM 0 H ARG A 3 -10.791 6.125 5.014 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.001 3.448 5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -13.370 6.036 5.875 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.233 4.566 5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.103 4.210 7.503 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.411 5.266 7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.494 2.924 6.659 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.398 2.423 7.932 1.00 0.00 H new ATOM 0 HE ARG A 3 -15.283 4.507 8.769 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.731 1.036 8.370 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.940 0.590 9.578 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.829 3.919 10.321 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.122 2.213 10.677 1.00 0.00 H new ATOM 56 N LYS A 4 -13.512 4.193 2.985 1.00 0.00 N ATOM 57 CA LYS A 4 -13.952 4.409 1.607 1.00 0.00 C ATOM 58 C LYS A 4 -12.980 3.780 0.611 1.00 0.00 C ATOM 59 O LYS A 4 -13.366 2.929 -0.191 1.00 0.00 O ATOM 60 CB LYS A 4 -14.097 5.905 1.316 1.00 0.00 C ATOM 61 CG LYS A 4 -15.160 6.222 0.275 1.00 0.00 C ATOM 62 CD LYS A 4 -14.612 6.090 -1.136 1.00 0.00 C ATOM 63 CE LYS A 4 -14.045 7.407 -1.639 1.00 0.00 C ATOM 64 NZ LYS A 4 -14.965 8.079 -2.597 1.00 0.00 N ATOM 0 H LYS A 4 -14.058 3.498 3.494 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.923 3.928 1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.341 6.425 2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.138 6.295 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.008 5.549 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.532 7.235 0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.834 5.327 -1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.404 5.755 -1.805 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.857 8.068 -0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.085 7.227 -2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.541 8.973 -2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.125 7.460 -3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.873 8.274 -2.128 1.00 0.00 H new ATOM 78 N VAL A 5 -11.718 4.199 0.665 1.00 0.00 N ATOM 79 CA VAL A 5 -10.702 3.668 -0.236 1.00 0.00 C ATOM 80 C VAL A 5 -10.286 2.259 0.175 1.00 0.00 C ATOM 81 O VAL A 5 -9.840 1.468 -0.656 1.00 0.00 O ATOM 82 CB VAL A 5 -9.451 4.569 -0.287 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.640 4.283 -1.543 1.00 0.00 C ATOM 84 CG2 VAL A 5 -9.841 6.040 -0.218 1.00 0.00 C ATOM 0 H VAL A 5 -11.377 4.902 1.321 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.152 3.639 -1.229 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.830 4.344 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.761 4.927 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.325 3.239 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.252 4.477 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.943 6.657 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.485 6.286 -1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.374 6.232 0.713 1.00 0.00 H new ATOM 94 N ALA A 6 -10.437 1.950 1.460 1.00 0.00 N ATOM 95 CA ALA A 6 -10.078 0.633 1.976 1.00 0.00 C ATOM 96 C ALA A 6 -10.798 -0.470 1.212 1.00 0.00 C ATOM 97 O ALA A 6 -10.220 -1.516 0.916 1.00 0.00 O ATOM 98 CB ALA A 6 -10.396 0.543 3.462 1.00 0.00 C ATOM 0 H ALA A 6 -10.805 2.592 2.162 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.006 0.495 1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.123 -0.445 3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.830 1.303 4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.463 0.707 3.616 1.00 0.00 H new ATOM 104 N ARG A 7 -12.064 -0.227 0.890 1.00 0.00 N ATOM 105 CA ARG A 7 -12.867 -1.197 0.153 1.00 0.00 C ATOM 106 C ARG A 7 -12.322 -1.376 -1.257 1.00 0.00 C ATOM 107 O ARG A 7 -12.016 -2.491 -1.684 1.00 0.00 O ATOM 108 CB ARG A 7 -14.328 -0.746 0.099 1.00 0.00 C ATOM 109 CG ARG A 7 -15.286 -1.844 -0.332 1.00 0.00 C ATOM 110 CD ARG A 7 -15.922 -2.531 0.867 1.00 0.00 C ATOM 111 NE ARG A 7 -16.230 -3.932 0.593 1.00 0.00 N ATOM 112 CZ ARG A 7 -17.294 -4.336 -0.098 1.00 0.00 C ATOM 113 NH1 ARG A 7 -18.154 -3.449 -0.585 1.00 0.00 N ATOM 114 NH2 ARG A 7 -17.500 -5.630 -0.300 1.00 0.00 N ATOM 0 H ARG A 7 -12.557 0.634 1.128 1.00 0.00 H new ATOM 0 HA ARG A 7 -12.814 -2.154 0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -14.624 -0.382 1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.416 0.093 -0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -16.065 -1.420 -0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -14.751 -2.580 -0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -15.248 -2.468 1.721 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -16.836 -2.006 1.143 1.00 0.00 H new ATOM 0 HE ARG A 7 -15.593 -4.643 0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -18.001 -2.452 -0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -18.967 -3.764 -1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -16.844 -6.315 0.074 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -18.315 -5.940 -0.829 1.00 0.00 H new ATOM 128 N GLU A 8 -12.199 -0.267 -1.973 1.00 0.00 N ATOM 129 CA GLU A 8 -11.682 -0.288 -3.335 1.00 0.00 C ATOM 130 C GLU A 8 -10.274 -0.867 -3.361 1.00 0.00 C ATOM 131 O GLU A 8 -9.879 -1.528 -4.321 1.00 0.00 O ATOM 132 CB GLU A 8 -11.681 1.121 -3.928 1.00 0.00 C ATOM 133 CG GLU A 8 -11.365 1.158 -5.414 1.00 0.00 C ATOM 134 CD GLU A 8 -10.763 2.480 -5.851 1.00 0.00 C ATOM 135 OE1 GLU A 8 -11.339 3.534 -5.511 1.00 0.00 O ATOM 136 OE2 GLU A 8 -9.718 2.458 -6.533 1.00 0.00 O ATOM 0 H GLU A 8 -12.451 0.661 -1.633 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.332 -0.921 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.657 1.576 -3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.950 1.730 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.673 0.351 -5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.278 0.974 -5.980 1.00 0.00 H new ATOM 143 N PHE A 9 -9.522 -0.617 -2.293 1.00 0.00 N ATOM 144 CA PHE A 9 -8.158 -1.116 -2.183 1.00 0.00 C ATOM 145 C PHE A 9 -8.138 -2.639 -2.241 1.00 0.00 C ATOM 146 O PHE A 9 -7.435 -3.231 -3.059 1.00 0.00 O ATOM 147 CB PHE A 9 -7.520 -0.634 -0.877 1.00 0.00 C ATOM 148 CG PHE A 9 -6.111 -1.119 -0.679 1.00 0.00 C ATOM 149 CD1 PHE A 9 -5.045 -0.443 -1.249 1.00 0.00 C ATOM 150 CD2 PHE A 9 -5.855 -2.249 0.079 1.00 0.00 C ATOM 151 CE1 PHE A 9 -3.749 -0.886 -1.068 1.00 0.00 C ATOM 152 CE2 PHE A 9 -4.561 -2.698 0.264 1.00 0.00 C ATOM 153 CZ PHE A 9 -3.507 -2.015 -0.310 1.00 0.00 C ATOM 0 H PHE A 9 -9.836 -0.071 -1.491 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.582 -0.728 -3.023 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.526 0.456 -0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.131 -0.969 -0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.229 0.441 -1.842 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.676 -2.786 0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.926 -0.350 -1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.375 -3.582 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.495 -2.363 -0.166 1.00 0.00 H new ATOM 163 N ARG A 10 -8.923 -3.269 -1.372 1.00 0.00 N ATOM 164 CA ARG A 10 -9.002 -4.725 -1.331 1.00 0.00 C ATOM 165 C ARG A 10 -9.409 -5.281 -2.691 1.00 0.00 C ATOM 166 O ARG A 10 -8.894 -6.307 -3.135 1.00 0.00 O ATOM 167 CB ARG A 10 -10.002 -5.175 -0.263 1.00 0.00 C ATOM 168 CG ARG A 10 -9.963 -6.670 0.016 1.00 0.00 C ATOM 169 CD ARG A 10 -11.245 -7.357 -0.426 1.00 0.00 C ATOM 170 NE ARG A 10 -11.555 -8.521 0.401 1.00 0.00 N ATOM 171 CZ ARG A 10 -10.969 -9.708 0.261 1.00 0.00 C ATOM 172 NH1 ARG A 10 -10.042 -9.892 -0.671 1.00 0.00 N ATOM 173 NH2 ARG A 10 -11.311 -10.714 1.055 1.00 0.00 N ATOM 0 H ARG A 10 -9.512 -2.795 -0.688 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.015 -5.112 -1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.800 -4.636 0.662 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.008 -4.899 -0.580 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.114 -7.115 -0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.809 -6.838 1.082 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.071 -6.648 -0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.150 -7.667 -1.467 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.262 -8.418 1.129 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.775 -9.122 -1.284 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.596 -10.804 -0.774 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.023 -10.578 1.773 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.862 -11.624 0.948 1.00 0.00 H new ATOM 187 N HIS A 11 -10.336 -4.591 -3.349 1.00 0.00 N ATOM 188 CA HIS A 11 -10.810 -5.012 -4.663 1.00 0.00 C ATOM 189 C HIS A 11 -9.739 -4.781 -5.726 1.00 0.00 C ATOM 190 O HIS A 11 -9.606 -5.564 -6.666 1.00 0.00 O ATOM 191 CB HIS A 11 -12.089 -4.256 -5.030 1.00 0.00 C ATOM 192 CG HIS A 11 -13.280 -5.146 -5.208 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.299 -6.210 -6.087 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.496 -5.128 -4.615 1.00 0.00 C ATOM 195 CE1 HIS A 11 -14.478 -6.805 -6.027 1.00 0.00 C ATOM 196 NE2 HIS A 11 -15.220 -6.170 -5.142 1.00 0.00 N ATOM 0 H HIS A 11 -10.773 -3.740 -2.995 1.00 0.00 H new ATOM 0 HA HIS A 11 -11.028 -6.079 -4.622 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -12.305 -3.525 -4.251 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -11.921 -3.699 -5.952 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -14.834 -4.426 -3.867 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.782 -7.665 -6.605 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -16.178 -6.413 -4.889 1.00 0.00 H new ATOM 205 N LYS A 12 -8.978 -3.702 -5.570 1.00 0.00 N ATOM 206 CA LYS A 12 -7.920 -3.369 -6.517 1.00 0.00 C ATOM 207 C LYS A 12 -6.770 -4.368 -6.427 1.00 0.00 C ATOM 208 O LYS A 12 -6.428 -5.024 -7.411 1.00 0.00 O ATOM 209 CB LYS A 12 -7.401 -1.951 -6.256 1.00 0.00 C ATOM 210 CG LYS A 12 -7.442 -1.054 -7.482 1.00 0.00 C ATOM 211 CD LYS A 12 -6.072 -0.933 -8.130 1.00 0.00 C ATOM 212 CE LYS A 12 -5.922 0.386 -8.870 1.00 0.00 C ATOM 213 NZ LYS A 12 -6.186 0.241 -10.329 1.00 0.00 N ATOM 0 H LYS A 12 -9.074 -3.044 -4.797 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.340 -3.417 -7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.994 -1.496 -5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.375 -2.010 -5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.153 -1.455 -8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.800 -0.064 -7.198 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.298 -1.013 -7.366 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.922 -1.760 -8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.610 1.119 -8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.914 0.773 -8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.073 1.164 -10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.513 -0.439 -10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.157 -0.103 -10.474 1.00 0.00 H new ATOM 227 N VAL A 13 -6.178 -4.481 -5.242 1.00 0.00 N ATOM 228 CA VAL A 13 -5.067 -5.401 -5.024 1.00 0.00 C ATOM 229 C VAL A 13 -5.440 -6.821 -5.439 1.00 0.00 C ATOM 230 O VAL A 13 -4.675 -7.500 -6.123 1.00 0.00 O ATOM 231 CB VAL A 13 -4.621 -5.406 -3.549 1.00 0.00 C ATOM 232 CG1 VAL A 13 -3.412 -6.309 -3.352 1.00 0.00 C ATOM 233 CG2 VAL A 13 -4.319 -3.991 -3.077 1.00 0.00 C ATOM 0 H VAL A 13 -6.450 -3.946 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.240 -5.051 -5.642 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.439 -5.801 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.115 -6.296 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.667 -7.328 -3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.586 -5.951 -3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.006 -4.015 -2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.521 -3.567 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.214 -3.377 -3.173 1.00 0.00 H new ATOM 243 N ASP A 14 -6.622 -7.264 -5.021 1.00 0.00 N ATOM 244 CA ASP A 14 -7.096 -8.602 -5.352 1.00 0.00 C ATOM 245 C ASP A 14 -7.149 -8.797 -6.863 1.00 0.00 C ATOM 246 O ASP A 14 -6.726 -9.830 -7.381 1.00 0.00 O ATOM 247 CB ASP A 14 -8.479 -8.842 -4.744 1.00 0.00 C ATOM 248 CG ASP A 14 -8.884 -10.302 -4.790 1.00 0.00 C ATOM 249 OD1 ASP A 14 -8.478 -11.001 -5.741 1.00 0.00 O ATOM 250 OD2 ASP A 14 -9.611 -10.745 -3.874 1.00 0.00 O ATOM 0 H ASP A 14 -7.268 -6.716 -4.453 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.396 -9.325 -4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.483 -8.499 -3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.217 -8.246 -5.280 1.00 0.00 H new ATOM 255 N PHE A 15 -7.669 -7.796 -7.565 1.00 0.00 N ATOM 256 CA PHE A 15 -7.774 -7.854 -9.017 1.00 0.00 C ATOM 257 C PHE A 15 -6.393 -7.792 -9.664 1.00 0.00 C ATOM 258 O PHE A 15 -6.142 -8.446 -10.678 1.00 0.00 O ATOM 259 CB PHE A 15 -8.642 -6.703 -9.534 1.00 0.00 C ATOM 260 CG PHE A 15 -9.539 -7.095 -10.674 1.00 0.00 C ATOM 261 CD1 PHE A 15 -10.542 -8.032 -10.494 1.00 0.00 C ATOM 262 CD2 PHE A 15 -9.376 -6.523 -11.926 1.00 0.00 C ATOM 263 CE1 PHE A 15 -11.368 -8.394 -11.541 1.00 0.00 C ATOM 264 CE2 PHE A 15 -10.199 -6.880 -12.977 1.00 0.00 C ATOM 265 CZ PHE A 15 -11.196 -7.817 -12.785 1.00 0.00 C ATOM 0 H PHE A 15 -8.024 -6.934 -7.151 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.241 -8.802 -9.285 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -9.253 -6.323 -8.715 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.995 -5.886 -9.855 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.681 -8.486 -9.524 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.598 -5.791 -12.082 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.147 -9.127 -11.387 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -10.063 -6.427 -13.948 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.840 -8.098 -13.605 1.00 0.00 H new ATOM 275 N LEU A 16 -5.503 -7.006 -9.071 1.00 0.00 N ATOM 276 CA LEU A 16 -4.146 -6.857 -9.587 1.00 0.00 C ATOM 277 C LEU A 16 -3.278 -8.045 -9.192 1.00 0.00 C ATOM 278 O LEU A 16 -2.960 -8.899 -10.020 1.00 0.00 O ATOM 279 CB LEU A 16 -3.520 -5.559 -9.073 1.00 0.00 C ATOM 280 CG LEU A 16 -4.205 -4.275 -9.548 1.00 0.00 C ATOM 281 CD1 LEU A 16 -3.866 -3.117 -8.624 1.00 0.00 C ATOM 282 CD2 LEU A 16 -3.802 -3.956 -10.979 1.00 0.00 C ATOM 0 H LEU A 16 -5.696 -6.461 -8.231 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.202 -6.819 -10.675 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.530 -5.576 -7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.475 -5.531 -9.382 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.284 -4.428 -9.522 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.362 -2.213 -8.977 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.206 -3.346 -7.614 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.787 -2.961 -8.617 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.298 -3.040 -11.301 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.722 -3.821 -11.031 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.097 -4.777 -11.632 1.00 0.00 H new ATOM 294 N ILE A 17 -2.897 -8.090 -7.922 1.00 0.00 N ATOM 295 CA ILE A 17 -2.065 -9.170 -7.410 1.00 0.00 C ATOM 296 C ILE A 17 -2.860 -10.463 -7.278 1.00 0.00 C ATOM 297 O ILE A 17 -2.603 -11.438 -7.983 1.00 0.00 O ATOM 298 CB ILE A 17 -1.459 -8.811 -6.040 1.00 0.00 C ATOM 299 CG1 ILE A 17 -0.818 -7.424 -6.088 1.00 0.00 C ATOM 300 CG2 ILE A 17 -0.439 -9.860 -5.619 1.00 0.00 C ATOM 301 CD1 ILE A 17 -0.218 -6.988 -4.769 1.00 0.00 C ATOM 0 H ILE A 17 -3.152 -7.389 -7.226 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.259 -9.315 -8.129 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.259 -8.794 -5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.040 -7.419 -6.851 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.569 -6.696 -6.394 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.020 -9.592 -4.649 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.926 -10.833 -5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.360 -9.908 -6.359 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.218 -5.995 -4.878 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.997 -6.960 -4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.557 -7.694 -4.471 1.00 0.00 H new ATOM 313 N GLU A 18 -3.827 -10.458 -6.368 1.00 0.00 N ATOM 314 CA GLU A 18 -4.675 -11.627 -6.127 1.00 0.00 C ATOM 315 C GLU A 18 -3.941 -12.697 -5.318 1.00 0.00 C ATOM 316 O GLU A 18 -4.495 -13.762 -5.043 1.00 0.00 O ATOM 317 CB GLU A 18 -5.164 -12.221 -7.453 1.00 0.00 C ATOM 318 CG GLU A 18 -6.497 -12.943 -7.338 1.00 0.00 C ATOM 319 CD GLU A 18 -6.399 -14.411 -7.710 1.00 0.00 C ATOM 320 OE1 GLU A 18 -5.316 -15.000 -7.522 1.00 0.00 O ATOM 321 OE2 GLU A 18 -7.408 -14.970 -8.190 1.00 0.00 O ATOM 0 H GLU A 18 -4.047 -9.654 -5.780 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.534 -11.292 -5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.255 -11.422 -8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.414 -12.917 -7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.867 -12.855 -6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.227 -12.456 -7.985 1.00 0.00 H new ATOM 328 N ASN A 19 -2.696 -12.416 -4.937 1.00 0.00 N ATOM 329 CA ASN A 19 -1.905 -13.362 -4.161 1.00 0.00 C ATOM 330 C ASN A 19 -2.068 -13.111 -2.666 1.00 0.00 C ATOM 331 O ASN A 19 -1.731 -12.038 -2.166 1.00 0.00 O ATOM 332 CB ASN A 19 -0.428 -13.265 -4.550 1.00 0.00 C ATOM 333 CG ASN A 19 -0.057 -14.231 -5.656 1.00 0.00 C ATOM 334 OD1 ASN A 19 -0.553 -15.357 -5.707 1.00 0.00 O ATOM 335 ND2 ASN A 19 0.822 -13.795 -6.552 1.00 0.00 N ATOM 0 H ASN A 19 -2.216 -11.542 -5.154 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.266 -14.366 -4.383 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.206 -12.247 -4.871 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.189 -13.465 -3.674 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.111 -14.401 -7.320 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.208 -12.854 -6.472 1.00 0.00 H new ATOM 342 N ASP A 20 -2.587 -14.108 -1.956 1.00 0.00 N ATOM 343 CA ASP A 20 -2.795 -13.995 -0.517 1.00 0.00 C ATOM 344 C ASP A 20 -1.480 -13.724 0.205 1.00 0.00 C ATOM 345 O ASP A 20 -1.444 -13.003 1.201 1.00 0.00 O ATOM 346 CB ASP A 20 -3.438 -15.271 0.027 1.00 0.00 C ATOM 347 CG ASP A 20 -2.585 -16.499 -0.219 1.00 0.00 C ATOM 348 OD1 ASP A 20 -1.788 -16.485 -1.183 1.00 0.00 O ATOM 349 OD2 ASP A 20 -2.712 -17.475 0.548 1.00 0.00 O ATOM 0 H ASP A 20 -2.871 -15.003 -2.354 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.465 -13.154 -0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.610 -15.160 1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.413 -15.410 -0.439 1.00 0.00 H new ATOM 354 N ALA A 21 -0.402 -14.311 -0.304 1.00 0.00 N ATOM 355 CA ALA A 21 0.917 -14.134 0.294 1.00 0.00 C ATOM 356 C ALA A 21 1.397 -12.696 0.144 1.00 0.00 C ATOM 357 O ALA A 21 1.895 -12.091 1.096 1.00 0.00 O ATOM 358 CB ALA A 21 1.914 -15.094 -0.335 1.00 0.00 C ATOM 0 H ALA A 21 -0.415 -14.912 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 21 0.840 -14.355 1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.894 -14.951 0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.584 -16.120 -0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.980 -14.900 -1.406 1.00 0.00 H new ATOM 364 N GLU A 22 1.245 -12.153 -1.056 1.00 0.00 N ATOM 365 CA GLU A 22 1.660 -10.785 -1.338 1.00 0.00 C ATOM 366 C GLU A 22 0.852 -9.792 -0.509 1.00 0.00 C ATOM 367 O GLU A 22 1.367 -8.751 -0.094 1.00 0.00 O ATOM 368 CB GLU A 22 1.501 -10.478 -2.829 1.00 0.00 C ATOM 369 CG GLU A 22 2.753 -9.896 -3.466 1.00 0.00 C ATOM 370 CD GLU A 22 2.621 -8.416 -3.768 1.00 0.00 C ATOM 371 OE1 GLU A 22 2.350 -7.641 -2.826 1.00 0.00 O ATOM 372 OE2 GLU A 22 2.790 -8.032 -4.943 1.00 0.00 O ATOM 0 H GLU A 22 0.836 -12.641 -1.853 1.00 0.00 H new ATOM 0 HA GLU A 22 2.711 -10.685 -1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.229 -11.394 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.676 -9.778 -2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.601 -10.053 -2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.970 -10.433 -4.389 1.00 0.00 H new ATOM 379 N LYS A 23 -0.413 -10.118 -0.270 1.00 0.00 N ATOM 380 CA LYS A 23 -1.291 -9.254 0.510 1.00 0.00 C ATOM 381 C LYS A 23 -0.875 -9.243 1.976 1.00 0.00 C ATOM 382 O LYS A 23 -1.003 -8.229 2.660 1.00 0.00 O ATOM 383 CB LYS A 23 -2.744 -9.716 0.382 1.00 0.00 C ATOM 384 CG LYS A 23 -3.321 -9.529 -1.011 1.00 0.00 C ATOM 385 CD LYS A 23 -4.756 -10.029 -1.093 1.00 0.00 C ATOM 386 CE LYS A 23 -4.976 -10.897 -2.321 1.00 0.00 C ATOM 387 NZ LYS A 23 -6.226 -11.699 -2.219 1.00 0.00 N ATOM 0 H LYS A 23 -0.854 -10.975 -0.605 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.206 -8.241 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.807 -10.770 0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.356 -9.166 1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.287 -8.474 -1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.706 -10.064 -1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.995 -10.600 -0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.437 -9.179 -1.121 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.022 -10.265 -3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.125 -11.566 -2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.339 -12.277 -3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.173 -12.321 -1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.041 -11.060 -2.122 1.00 0.00 H new ATOM 401 N ASP A 24 -0.374 -10.377 2.453 1.00 0.00 N ATOM 402 CA ASP A 24 0.065 -10.491 3.839 1.00 0.00 C ATOM 403 C ASP A 24 1.368 -9.730 4.050 1.00 0.00 C ATOM 404 O ASP A 24 1.604 -9.165 5.118 1.00 0.00 O ATOM 405 CB ASP A 24 0.247 -11.960 4.223 1.00 0.00 C ATOM 406 CG ASP A 24 0.175 -12.178 5.722 1.00 0.00 C ATOM 407 OD1 ASP A 24 1.188 -11.928 6.407 1.00 0.00 O ATOM 408 OD2 ASP A 24 -0.896 -12.599 6.210 1.00 0.00 O ATOM 0 H ASP A 24 -0.262 -11.228 1.902 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.702 -10.054 4.478 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.522 -12.559 3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.210 -12.313 3.853 1.00 0.00 H new ATOM 413 N TYR A 25 2.207 -9.716 3.021 1.00 0.00 N ATOM 414 CA TYR A 25 3.486 -9.020 3.088 1.00 0.00 C ATOM 415 C TYR A 25 3.273 -7.511 3.118 1.00 0.00 C ATOM 416 O TYR A 25 3.824 -6.811 3.968 1.00 0.00 O ATOM 417 CB TYR A 25 4.361 -9.404 1.893 1.00 0.00 C ATOM 418 CG TYR A 25 5.701 -9.984 2.283 1.00 0.00 C ATOM 419 CD1 TYR A 25 5.803 -10.918 3.305 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.863 -9.598 1.628 1.00 0.00 C ATOM 421 CE1 TYR A 25 7.027 -11.450 3.667 1.00 0.00 C ATOM 422 CE2 TYR A 25 8.091 -10.126 1.982 1.00 0.00 C ATOM 423 CZ TYR A 25 8.167 -11.051 3.001 1.00 0.00 C ATOM 424 OH TYR A 25 9.387 -11.578 3.356 1.00 0.00 O ATOM 0 H TYR A 25 2.025 -10.179 2.130 1.00 0.00 H new ATOM 0 HA TYR A 25 3.992 -9.317 4.006 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.826 -10.129 1.280 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.523 -8.521 1.274 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.911 -11.234 3.826 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.807 -8.874 0.829 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.090 -12.174 4.466 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.986 -9.815 1.463 1.00 0.00 H new ATOM 0 HH TYR A 25 10.087 -11.193 2.789 1.00 0.00 H new ATOM 434 N LEU A 26 2.468 -7.017 2.182 1.00 0.00 N ATOM 435 CA LEU A 26 2.179 -5.589 2.101 1.00 0.00 C ATOM 436 C LEU A 26 1.424 -5.118 3.340 1.00 0.00 C ATOM 437 O LEU A 26 1.579 -3.977 3.776 1.00 0.00 O ATOM 438 CB LEU A 26 1.373 -5.280 0.834 1.00 0.00 C ATOM 439 CG LEU A 26 -0.097 -5.698 0.870 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.936 -4.641 1.575 1.00 0.00 C ATOM 441 CD2 LEU A 26 -0.616 -5.935 -0.541 1.00 0.00 C ATOM 0 H LEU A 26 2.005 -7.583 1.471 1.00 0.00 H new ATOM 0 HA LEU A 26 3.125 -5.050 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.423 -4.208 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.853 -5.775 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.177 -6.630 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.979 -4.956 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.579 -4.515 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.851 -3.694 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.664 -6.232 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.522 -5.018 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.034 -6.726 -1.015 1.00 0.00 H new ATOM 453 N TYR A 27 0.607 -6.003 3.906 1.00 0.00 N ATOM 454 CA TYR A 27 -0.166 -5.672 5.097 1.00 0.00 C ATOM 455 C TYR A 27 0.749 -5.534 6.309 1.00 0.00 C ATOM 456 O TYR A 27 0.540 -4.672 7.162 1.00 0.00 O ATOM 457 CB TYR A 27 -1.229 -6.741 5.359 1.00 0.00 C ATOM 458 CG TYR A 27 -2.628 -6.309 4.980 1.00 0.00 C ATOM 459 CD1 TYR A 27 -3.000 -6.184 3.648 1.00 0.00 C ATOM 460 CD2 TYR A 27 -3.575 -6.024 5.956 1.00 0.00 C ATOM 461 CE1 TYR A 27 -4.277 -5.789 3.298 1.00 0.00 C ATOM 462 CE2 TYR A 27 -4.854 -5.628 5.614 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.200 -5.512 4.285 1.00 0.00 C ATOM 464 OH TYR A 27 -6.473 -5.118 3.941 1.00 0.00 O ATOM 0 H TYR A 27 0.464 -6.952 3.559 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.664 -4.717 4.927 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.972 -7.641 4.801 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.213 -7.006 6.416 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.279 -6.399 2.873 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.307 -6.113 6.998 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.551 -5.698 2.257 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.579 -5.410 6.384 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.998 -4.963 4.754 1.00 0.00 H new ATOM 474 N ASP A 28 1.764 -6.388 6.375 1.00 0.00 N ATOM 475 CA ASP A 28 2.715 -6.362 7.480 1.00 0.00 C ATOM 476 C ASP A 28 3.527 -5.071 7.459 1.00 0.00 C ATOM 477 O ASP A 28 3.758 -4.455 8.499 1.00 0.00 O ATOM 478 CB ASP A 28 3.649 -7.571 7.407 1.00 0.00 C ATOM 479 CG ASP A 28 3.926 -8.171 8.770 1.00 0.00 C ATOM 480 OD1 ASP A 28 2.965 -8.640 9.419 1.00 0.00 O ATOM 481 OD2 ASP A 28 5.101 -8.172 9.191 1.00 0.00 O ATOM 0 H ASP A 28 1.950 -7.107 5.676 1.00 0.00 H new ATOM 0 HA ASP A 28 2.155 -6.405 8.414 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.206 -8.330 6.762 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.591 -7.272 6.947 1.00 0.00 H new ATOM 486 N VAL A 29 3.957 -4.667 6.267 1.00 0.00 N ATOM 487 CA VAL A 29 4.740 -3.448 6.110 1.00 0.00 C ATOM 488 C VAL A 29 3.932 -2.226 6.532 1.00 0.00 C ATOM 489 O VAL A 29 4.438 -1.346 7.230 1.00 0.00 O ATOM 490 CB VAL A 29 5.211 -3.265 4.655 1.00 0.00 C ATOM 491 CG1 VAL A 29 6.152 -2.074 4.542 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.883 -4.532 4.146 1.00 0.00 C ATOM 0 H VAL A 29 3.776 -5.167 5.397 1.00 0.00 H new ATOM 0 HA VAL A 29 5.615 -3.544 6.753 1.00 0.00 H new ATOM 0 HB VAL A 29 4.337 -3.069 4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.474 -1.961 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.634 -1.170 4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.023 -2.237 5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.209 -4.383 3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.747 -4.762 4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.176 -5.360 4.186 1.00 0.00 H new ATOM 502 N LEU A 30 2.674 -2.178 6.108 1.00 0.00 N ATOM 503 CA LEU A 30 1.795 -1.064 6.443 1.00 0.00 C ATOM 504 C LEU A 30 1.501 -1.041 7.941 1.00 0.00 C ATOM 505 O LEU A 30 1.558 0.011 8.579 1.00 0.00 O ATOM 506 CB LEU A 30 0.486 -1.162 5.656 1.00 0.00 C ATOM 507 CG LEU A 30 0.584 -0.764 4.181 1.00 0.00 C ATOM 508 CD1 LEU A 30 -0.396 -1.570 3.345 1.00 0.00 C ATOM 509 CD2 LEU A 30 0.330 0.727 4.016 1.00 0.00 C ATOM 0 H LEU A 30 2.240 -2.898 5.531 1.00 0.00 H new ATOM 0 HA LEU A 30 2.302 -0.138 6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.120 -2.187 5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.258 -0.529 6.139 1.00 0.00 H new ATOM 0 HG LEU A 30 1.593 -0.982 3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.312 -1.273 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.168 -2.632 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.411 -1.384 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.403 0.994 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.667 0.969 4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.072 1.288 4.585 1.00 0.00 H new ATOM 521 N ARG A 31 1.189 -2.209 8.495 1.00 0.00 N ATOM 522 CA ARG A 31 0.888 -2.324 9.919 1.00 0.00 C ATOM 523 C ARG A 31 2.030 -1.771 10.763 1.00 0.00 C ATOM 524 O ARG A 31 1.804 -1.129 11.789 1.00 0.00 O ATOM 525 CB ARG A 31 0.621 -3.786 10.288 1.00 0.00 C ATOM 526 CG ARG A 31 -0.635 -3.982 11.122 1.00 0.00 C ATOM 527 CD ARG A 31 -0.469 -5.113 12.124 1.00 0.00 C ATOM 528 NE ARG A 31 0.110 -6.307 11.510 1.00 0.00 N ATOM 529 CZ ARG A 31 0.671 -7.297 12.201 1.00 0.00 C ATOM 530 NH1 ARG A 31 0.731 -7.240 13.527 1.00 0.00 N ATOM 531 NH2 ARG A 31 1.172 -8.349 11.568 1.00 0.00 N ATOM 0 H ARG A 31 1.138 -3.088 7.981 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.007 -1.736 10.126 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.536 -4.373 9.374 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.477 -4.176 10.838 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.870 -3.058 11.651 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.479 -4.197 10.466 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.169 -4.781 12.943 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.439 -5.361 12.555 1.00 0.00 H new ATOM 0 HE ARG A 31 0.082 -6.386 10.493 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.346 -6.435 14.021 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.162 -8.001 14.051 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.128 -8.400 10.550 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.602 -9.107 12.099 1.00 0.00 H new ATOM 545 N MET A 32 3.257 -2.020 10.322 1.00 0.00 N ATOM 546 CA MET A 32 4.437 -1.542 11.030 1.00 0.00 C ATOM 547 C MET A 32 4.717 -0.083 10.688 1.00 0.00 C ATOM 548 O MET A 32 5.282 0.659 11.492 1.00 0.00 O ATOM 549 CB MET A 32 5.652 -2.404 10.682 1.00 0.00 C ATOM 550 CG MET A 32 5.907 -3.527 11.676 1.00 0.00 C ATOM 551 SD MET A 32 7.657 -3.740 12.053 1.00 0.00 S ATOM 552 CE MET A 32 7.972 -2.274 13.031 1.00 0.00 C ATOM 0 H MET A 32 3.461 -2.551 9.475 1.00 0.00 H new ATOM 0 HA MET A 32 4.245 -1.617 12.100 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.510 -2.833 9.690 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.536 -1.768 10.631 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.364 -3.321 12.598 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.510 -4.459 11.274 1.00 0.00 H new ATOM 0 HE1 MET A 32 8.834 -1.745 12.626 1.00 0.00 H new ATOM 0 HE2 MET A 32 7.099 -1.622 13.001 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.175 -2.562 14.063 1.00 0.00 H new ATOM 562 N TYR A 33 4.314 0.324 9.488 1.00 0.00 N ATOM 563 CA TYR A 33 4.515 1.696 9.035 1.00 0.00 C ATOM 564 C TYR A 33 3.676 2.670 9.861 1.00 0.00 C ATOM 565 O TYR A 33 4.026 3.842 9.998 1.00 0.00 O ATOM 566 CB TYR A 33 4.158 1.819 7.552 1.00 0.00 C ATOM 567 CG TYR A 33 4.107 3.245 7.049 1.00 0.00 C ATOM 568 CD1 TYR A 33 5.274 3.965 6.828 1.00 0.00 C ATOM 569 CD2 TYR A 33 2.892 3.871 6.800 1.00 0.00 C ATOM 570 CE1 TYR A 33 5.231 5.268 6.372 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.842 5.174 6.344 1.00 0.00 C ATOM 572 CZ TYR A 33 4.015 5.868 6.130 1.00 0.00 C ATOM 573 OH TYR A 33 3.971 7.164 5.676 1.00 0.00 O ATOM 0 H TYR A 33 3.846 -0.278 8.811 1.00 0.00 H new ATOM 0 HA TYR A 33 5.566 1.950 9.170 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.889 1.263 6.965 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.189 1.349 7.382 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.230 3.499 7.016 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.972 3.330 6.966 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.148 5.814 6.206 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.889 5.647 6.156 1.00 0.00 H new ATOM 0 HH TYR A 33 3.195 7.620 6.063 1.00 0.00 H new ATOM 583 N HIS A 34 2.566 2.178 10.400 1.00 0.00 N ATOM 584 CA HIS A 34 1.674 3.007 11.204 1.00 0.00 C ATOM 585 C HIS A 34 2.347 3.455 12.501 1.00 0.00 C ATOM 586 O HIS A 34 2.369 4.644 12.818 1.00 0.00 O ATOM 587 CB HIS A 34 0.386 2.244 11.519 1.00 0.00 C ATOM 588 CG HIS A 34 -0.853 2.953 11.068 1.00 0.00 C ATOM 589 ND1 HIS A 34 -1.848 3.355 11.934 1.00 0.00 N ATOM 590 CD2 HIS A 34 -1.256 3.334 9.833 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.810 3.951 11.252 1.00 0.00 C ATOM 592 NE2 HIS A 34 -2.474 3.951 9.975 1.00 0.00 N ATOM 0 H HIS A 34 2.262 1.210 10.295 1.00 0.00 H new ATOM 0 HA HIS A 34 1.433 3.898 10.624 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.428 1.264 11.043 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.327 2.074 12.594 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.719 3.181 8.908 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.716 4.367 11.668 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.030 4.346 9.216 1.00 0.00 H new ATOM 601 N GLN A 35 2.883 2.498 13.249 1.00 0.00 N ATOM 602 CA GLN A 35 3.544 2.799 14.517 1.00 0.00 C ATOM 603 C GLN A 35 4.917 3.428 14.299 1.00 0.00 C ATOM 604 O GLN A 35 5.338 4.298 15.061 1.00 0.00 O ATOM 605 CB GLN A 35 3.682 1.528 15.358 1.00 0.00 C ATOM 606 CG GLN A 35 4.237 0.341 14.585 1.00 0.00 C ATOM 607 CD GLN A 35 5.451 -0.275 15.251 1.00 0.00 C ATOM 608 OE1 GLN A 35 6.346 0.433 15.715 1.00 0.00 O ATOM 609 NE2 GLN A 35 5.489 -1.601 15.303 1.00 0.00 N ATOM 0 H GLN A 35 2.874 1.508 13.002 1.00 0.00 H new ATOM 0 HA GLN A 35 2.923 3.520 15.049 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.333 1.734 16.207 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.705 1.262 15.762 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.460 -0.417 14.483 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.504 0.661 13.578 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.726 -2.149 14.906 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.281 -2.072 15.740 1.00 0.00 H new ATOM 618 N THR A 36 5.615 2.979 13.262 1.00 0.00 N ATOM 619 CA THR A 36 6.946 3.497 12.954 1.00 0.00 C ATOM 620 C THR A 36 6.867 4.849 12.251 1.00 0.00 C ATOM 621 O THR A 36 7.607 5.774 12.582 1.00 0.00 O ATOM 622 CB THR A 36 7.715 2.503 12.084 1.00 0.00 C ATOM 623 OG1 THR A 36 7.058 2.305 10.846 1.00 0.00 O ATOM 624 CG2 THR A 36 7.890 1.148 12.734 1.00 0.00 C ATOM 0 H THR A 36 5.283 2.259 12.620 1.00 0.00 H new ATOM 0 HA THR A 36 7.475 3.634 13.897 1.00 0.00 H new ATOM 0 HB THR A 36 8.700 2.948 11.940 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.583 1.448 10.861 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.444 0.491 12.063 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.441 1.261 13.668 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.912 0.714 12.940 1.00 0.00 H new ATOM 632 N MET A 37 5.967 4.955 11.278 1.00 0.00 N ATOM 633 CA MET A 37 5.794 6.194 10.525 1.00 0.00 C ATOM 634 C MET A 37 7.051 6.525 9.724 1.00 0.00 C ATOM 635 O MET A 37 7.486 7.675 9.678 1.00 0.00 O ATOM 636 CB MET A 37 5.458 7.353 11.469 1.00 0.00 C ATOM 637 CG MET A 37 4.210 7.114 12.303 1.00 0.00 C ATOM 638 SD MET A 37 2.769 7.993 11.665 1.00 0.00 S ATOM 639 CE MET A 37 1.458 7.221 12.609 1.00 0.00 C ATOM 0 H MET A 37 5.346 4.198 10.992 1.00 0.00 H new ATOM 0 HA MET A 37 4.967 6.051 9.830 1.00 0.00 H new ATOM 0 HB2 MET A 37 6.303 7.525 12.135 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.325 8.262 10.882 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.996 6.046 12.331 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.398 7.429 13.329 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.714 7.971 12.879 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.987 6.442 12.009 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.873 6.779 13.515 1.00 0.00 H new ATOM 649 N ASP A 38 7.628 5.508 9.091 1.00 0.00 N ATOM 650 CA ASP A 38 8.832 5.690 8.289 1.00 0.00 C ATOM 651 C ASP A 38 8.532 5.498 6.805 1.00 0.00 C ATOM 652 O ASP A 38 8.477 4.370 6.314 1.00 0.00 O ATOM 653 CB ASP A 38 9.918 4.708 8.733 1.00 0.00 C ATOM 654 CG ASP A 38 10.175 4.765 10.225 1.00 0.00 C ATOM 655 OD1 ASP A 38 9.942 5.834 10.827 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.607 3.740 10.793 1.00 0.00 O ATOM 0 H ASP A 38 7.281 4.549 9.118 1.00 0.00 H new ATOM 0 HA ASP A 38 9.189 6.709 8.440 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.623 3.696 8.457 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.843 4.928 8.199 1.00 0.00 H new ATOM 661 N VAL A 39 8.337 6.606 6.098 1.00 0.00 N ATOM 662 CA VAL A 39 8.038 6.558 4.670 1.00 0.00 C ATOM 663 C VAL A 39 9.186 5.930 3.888 1.00 0.00 C ATOM 664 O VAL A 39 8.964 5.148 2.963 1.00 0.00 O ATOM 665 CB VAL A 39 7.756 7.963 4.105 1.00 0.00 C ATOM 666 CG1 VAL A 39 7.228 7.871 2.682 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.776 8.710 4.998 1.00 0.00 C ATOM 0 H VAL A 39 8.380 7.547 6.489 1.00 0.00 H new ATOM 0 HA VAL A 39 7.145 5.944 4.556 1.00 0.00 H new ATOM 0 HB VAL A 39 8.692 8.521 4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.035 8.873 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.968 7.378 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.303 7.295 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.588 9.701 4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.839 8.156 5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.198 8.809 5.998 1.00 0.00 H new ATOM 677 N ALA A 40 10.413 6.274 4.264 1.00 0.00 N ATOM 678 CA ALA A 40 11.596 5.741 3.597 1.00 0.00 C ATOM 679 C ALA A 40 11.607 4.216 3.639 1.00 0.00 C ATOM 680 O ALA A 40 11.977 3.561 2.664 1.00 0.00 O ATOM 681 CB ALA A 40 12.859 6.298 4.236 1.00 0.00 C ATOM 0 H ALA A 40 10.615 6.920 5.027 1.00 0.00 H new ATOM 0 HA ALA A 40 11.565 6.051 2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.734 5.891 3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.862 7.385 4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.888 6.018 5.289 1.00 0.00 H new ATOM 687 N VAL A 41 11.201 3.658 4.774 1.00 0.00 N ATOM 688 CA VAL A 41 11.163 2.211 4.946 1.00 0.00 C ATOM 689 C VAL A 41 10.007 1.596 4.165 1.00 0.00 C ATOM 690 O VAL A 41 10.126 0.498 3.622 1.00 0.00 O ATOM 691 CB VAL A 41 11.030 1.825 6.431 1.00 0.00 C ATOM 692 CG1 VAL A 41 11.163 0.320 6.607 1.00 0.00 C ATOM 693 CG2 VAL A 41 12.064 2.559 7.270 1.00 0.00 C ATOM 0 H VAL A 41 10.893 4.187 5.590 1.00 0.00 H new ATOM 0 HA VAL A 41 12.105 1.821 4.561 1.00 0.00 H new ATOM 0 HB VAL A 41 10.039 2.122 6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.066 0.067 7.663 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.380 -0.183 6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 41 12.139 -0.004 6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.954 2.273 8.316 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.064 2.297 6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.916 3.634 7.171 1.00 0.00 H new ATOM 703 N LEU A 42 8.888 2.310 4.117 1.00 0.00 N ATOM 704 CA LEU A 42 7.706 1.835 3.405 1.00 0.00 C ATOM 705 C LEU A 42 7.992 1.664 1.917 1.00 0.00 C ATOM 706 O LEU A 42 7.710 0.615 1.338 1.00 0.00 O ATOM 707 CB LEU A 42 6.541 2.808 3.603 1.00 0.00 C ATOM 708 CG LEU A 42 5.165 2.253 3.233 1.00 0.00 C ATOM 709 CD1 LEU A 42 4.650 1.330 4.327 1.00 0.00 C ATOM 710 CD2 LEU A 42 4.183 3.388 2.983 1.00 0.00 C ATOM 0 H LEU A 42 8.774 3.220 4.563 1.00 0.00 H new ATOM 0 HA LEU A 42 7.435 0.862 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.521 3.120 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.728 3.701 3.007 1.00 0.00 H new ATOM 0 HG LEU A 42 5.262 1.674 2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.670 0.945 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.343 0.499 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.568 1.884 5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.209 2.975 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.090 3.994 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.546 4.009 2.164 1.00 0.00 H new ATOM 722 N VAL A 43 8.555 2.700 1.303 1.00 0.00 N ATOM 723 CA VAL A 43 8.878 2.662 -0.118 1.00 0.00 C ATOM 724 C VAL A 43 9.806 1.496 -0.444 1.00 0.00 C ATOM 725 O VAL A 43 9.654 0.838 -1.473 1.00 0.00 O ATOM 726 CB VAL A 43 9.540 3.974 -0.580 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.702 3.989 -2.093 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.732 5.175 -0.112 1.00 0.00 C ATOM 0 H VAL A 43 8.797 3.575 1.767 1.00 0.00 H new ATOM 0 HA VAL A 43 7.936 2.531 -0.650 1.00 0.00 H new ATOM 0 HB VAL A 43 10.531 4.035 -0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.171 4.924 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.328 3.151 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.723 3.903 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.216 6.092 -0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.726 5.121 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.674 5.173 0.976 1.00 0.00 H new ATOM 738 N GLY A 44 10.765 1.245 0.441 1.00 0.00 N ATOM 739 CA GLY A 44 11.702 0.157 0.228 1.00 0.00 C ATOM 740 C GLY A 44 11.016 -1.192 0.151 1.00 0.00 C ATOM 741 O GLY A 44 11.120 -1.894 -0.855 1.00 0.00 O ATOM 0 H GLY A 44 10.910 1.774 1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.255 0.333 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.430 0.145 1.039 1.00 0.00 H new ATOM 745 N ASP A 45 10.310 -1.556 1.217 1.00 0.00 N ATOM 746 CA ASP A 45 9.603 -2.830 1.268 1.00 0.00 C ATOM 747 C ASP A 45 8.513 -2.891 0.204 1.00 0.00 C ATOM 748 O ASP A 45 8.190 -3.963 -0.309 1.00 0.00 O ATOM 749 CB ASP A 45 8.990 -3.042 2.654 1.00 0.00 C ATOM 750 CG ASP A 45 9.922 -3.785 3.591 1.00 0.00 C ATOM 751 OD1 ASP A 45 10.981 -3.224 3.943 1.00 0.00 O ATOM 752 OD2 ASP A 45 9.592 -4.927 3.973 1.00 0.00 O ATOM 0 H ASP A 45 10.213 -0.986 2.057 1.00 0.00 H new ATOM 0 HA ASP A 45 10.323 -3.624 1.071 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.738 -2.075 3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.059 -3.600 2.555 1.00 0.00 H new ATOM 757 N LEU A 46 7.947 -1.734 -0.123 1.00 0.00 N ATOM 758 CA LEU A 46 6.892 -1.654 -1.126 1.00 0.00 C ATOM 759 C LEU A 46 7.371 -2.196 -2.470 1.00 0.00 C ATOM 760 O LEU A 46 6.708 -3.030 -3.085 1.00 0.00 O ATOM 761 CB LEU A 46 6.417 -0.208 -1.284 1.00 0.00 C ATOM 762 CG LEU A 46 5.221 0.178 -0.411 1.00 0.00 C ATOM 763 CD1 LEU A 46 5.160 1.685 -0.226 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.929 -0.339 -1.024 1.00 0.00 C ATOM 0 H LEU A 46 8.202 -0.838 0.293 1.00 0.00 H new ATOM 0 HA LEU A 46 6.058 -2.268 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.247 0.459 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.155 -0.039 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 46 5.346 -0.282 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.303 1.941 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.075 2.030 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.058 2.167 -1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.088 -0.056 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.798 0.093 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.974 -1.425 -1.105 1.00 0.00 H new ATOM 776 N LYS A 47 8.524 -1.716 -2.920 1.00 0.00 N ATOM 777 CA LYS A 47 9.088 -2.154 -4.191 1.00 0.00 C ATOM 778 C LYS A 47 9.566 -3.601 -4.104 1.00 0.00 C ATOM 779 O LYS A 47 9.467 -4.357 -5.073 1.00 0.00 O ATOM 780 CB LYS A 47 10.248 -1.244 -4.600 1.00 0.00 C ATOM 781 CG LYS A 47 9.848 -0.150 -5.577 1.00 0.00 C ATOM 782 CD LYS A 47 11.060 0.439 -6.280 1.00 0.00 C ATOM 783 CE LYS A 47 11.859 1.341 -5.351 1.00 0.00 C ATOM 784 NZ LYS A 47 12.654 2.348 -6.104 1.00 0.00 N ATOM 0 H LYS A 47 9.086 -1.024 -2.424 1.00 0.00 H new ATOM 0 HA LYS A 47 8.305 -2.094 -4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.671 -0.785 -3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.034 -1.851 -5.049 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.158 -0.556 -6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.316 0.638 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.698 -0.366 -6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.736 1.008 -7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.180 1.851 -4.668 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.527 0.733 -4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.184 2.943 -5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.320 1.861 -6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.015 2.945 -6.667 1.00 0.00 H new ATOM 798 N LEU A 48 10.088 -3.978 -2.940 1.00 0.00 N ATOM 799 CA LEU A 48 10.588 -5.332 -2.723 1.00 0.00 C ATOM 800 C LEU A 48 9.510 -6.372 -3.016 1.00 0.00 C ATOM 801 O LEU A 48 9.725 -7.297 -3.798 1.00 0.00 O ATOM 802 CB LEU A 48 11.088 -5.489 -1.285 1.00 0.00 C ATOM 803 CG LEU A 48 12.410 -4.781 -0.980 1.00 0.00 C ATOM 804 CD1 LEU A 48 12.636 -4.698 0.522 1.00 0.00 C ATOM 805 CD2 LEU A 48 13.565 -5.505 -1.656 1.00 0.00 C ATOM 0 H LEU A 48 10.176 -3.363 -2.131 1.00 0.00 H new ATOM 0 HA LEU A 48 11.417 -5.497 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.324 -5.108 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.204 -6.551 -1.070 1.00 0.00 H new ATOM 0 HG LEU A 48 12.360 -3.766 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.581 -4.192 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.821 -4.139 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.668 -5.704 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.499 -4.990 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.617 -6.530 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.407 -5.514 -2.734 1.00 0.00 H new ATOM 817 N VAL A 49 8.349 -6.211 -2.388 1.00 0.00 N ATOM 818 CA VAL A 49 7.241 -7.138 -2.592 1.00 0.00 C ATOM 819 C VAL A 49 6.729 -7.053 -4.024 1.00 0.00 C ATOM 820 O VAL A 49 6.518 -8.069 -4.685 1.00 0.00 O ATOM 821 CB VAL A 49 6.090 -6.862 -1.597 1.00 0.00 C ATOM 822 CG1 VAL A 49 5.184 -5.733 -2.075 1.00 0.00 C ATOM 823 CG2 VAL A 49 5.286 -8.129 -1.347 1.00 0.00 C ATOM 0 H VAL A 49 8.152 -5.451 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 49 7.613 -8.146 -2.410 1.00 0.00 H new ATOM 0 HB VAL A 49 6.539 -6.541 -0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.389 -5.572 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.768 -4.819 -2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.747 -6.000 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.480 -7.916 -0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.863 -8.483 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.937 -8.897 -0.930 1.00 0.00 H new ATOM 833 N ILE A 50 6.537 -5.827 -4.491 1.00 0.00 N ATOM 834 CA ILE A 50 6.057 -5.585 -5.845 1.00 0.00 C ATOM 835 C ILE A 50 7.061 -6.111 -6.875 1.00 0.00 C ATOM 836 O ILE A 50 6.956 -7.249 -7.332 1.00 0.00 O ATOM 837 CB ILE A 50 5.793 -4.078 -6.074 1.00 0.00 C ATOM 838 CG1 ILE A 50 4.675 -3.592 -5.147 1.00 0.00 C ATOM 839 CG2 ILE A 50 5.439 -3.797 -7.529 1.00 0.00 C ATOM 840 CD1 ILE A 50 3.322 -4.192 -5.461 1.00 0.00 C ATOM 0 H ILE A 50 6.707 -4.980 -3.949 1.00 0.00 H new ATOM 0 HA ILE A 50 5.117 -6.122 -5.971 1.00 0.00 H new ATOM 0 HB ILE A 50 6.707 -3.532 -5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.939 -3.832 -4.117 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.606 -2.506 -5.214 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.259 -2.730 -7.660 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.264 -4.107 -8.171 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.541 -4.352 -7.799 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.580 -3.802 -4.764 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.036 -3.931 -6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.374 -5.277 -5.366 1.00 0.00 H new ATOM 852 N ASN A 51 8.043 -5.284 -7.216 1.00 0.00 N ATOM 853 CA ASN A 51 9.081 -5.667 -8.171 1.00 0.00 C ATOM 854 C ASN A 51 8.507 -5.992 -9.551 1.00 0.00 C ATOM 855 O ASN A 51 9.170 -6.635 -10.365 1.00 0.00 O ATOM 856 CB ASN A 51 9.865 -6.869 -7.640 1.00 0.00 C ATOM 857 CG ASN A 51 11.223 -6.476 -7.094 1.00 0.00 C ATOM 858 OD1 ASN A 51 12.231 -6.539 -7.799 1.00 0.00 O ATOM 859 ND2 ASN A 51 11.259 -6.070 -5.829 1.00 0.00 N ATOM 0 H ASN A 51 8.144 -4.339 -6.844 1.00 0.00 H new ATOM 0 HA ASN A 51 9.747 -4.812 -8.285 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.288 -7.358 -6.855 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.995 -7.597 -8.441 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.146 -5.795 -5.407 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.400 -6.033 -5.281 1.00 0.00 H new ATOM 866 N GLU A 52 7.283 -5.548 -9.820 1.00 0.00 N ATOM 867 CA GLU A 52 6.654 -5.802 -11.112 1.00 0.00 C ATOM 868 C GLU A 52 5.852 -4.587 -11.580 1.00 0.00 C ATOM 869 O GLU A 52 4.911 -4.161 -10.911 1.00 0.00 O ATOM 870 CB GLU A 52 5.739 -7.027 -11.035 1.00 0.00 C ATOM 871 CG GLU A 52 6.363 -8.216 -10.322 1.00 0.00 C ATOM 872 CD GLU A 52 7.299 -9.006 -11.215 1.00 0.00 C ATOM 873 OE1 GLU A 52 8.194 -8.390 -11.831 1.00 0.00 O ATOM 874 OE2 GLU A 52 7.137 -10.242 -11.299 1.00 0.00 O ATOM 0 H GLU A 52 6.710 -5.014 -9.166 1.00 0.00 H new ATOM 0 HA GLU A 52 7.447 -5.995 -11.834 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.819 -6.749 -10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.462 -7.326 -12.046 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.911 -7.864 -9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.573 -8.873 -9.959 1.00 0.00 H new ATOM 881 N PRO A 53 6.215 -4.009 -12.742 1.00 0.00 N ATOM 882 CA PRO A 53 5.522 -2.839 -13.293 1.00 0.00 C ATOM 883 C PRO A 53 4.009 -3.035 -13.362 1.00 0.00 C ATOM 884 O PRO A 53 3.250 -2.068 -13.374 1.00 0.00 O ATOM 885 CB PRO A 53 6.106 -2.711 -14.702 1.00 0.00 C ATOM 886 CG PRO A 53 7.454 -3.337 -14.610 1.00 0.00 C ATOM 887 CD PRO A 53 7.326 -4.451 -13.608 1.00 0.00 C ATOM 0 HA PRO A 53 5.666 -1.954 -12.673 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.482 -3.220 -15.437 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.174 -1.667 -15.009 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.774 -3.719 -15.579 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.201 -2.610 -14.292 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.104 -5.402 -14.092 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.247 -4.589 -13.041 1.00 0.00 H new ATOM 895 N SER A 54 3.578 -4.291 -13.410 1.00 0.00 N ATOM 896 CA SER A 54 2.155 -4.604 -13.476 1.00 0.00 C ATOM 897 C SER A 54 1.449 -4.222 -12.178 1.00 0.00 C ATOM 898 O SER A 54 0.252 -3.931 -12.175 1.00 0.00 O ATOM 899 CB SER A 54 1.953 -6.093 -13.762 1.00 0.00 C ATOM 900 OG SER A 54 2.565 -6.467 -14.985 1.00 0.00 O ATOM 0 H SER A 54 4.191 -5.106 -13.404 1.00 0.00 H new ATOM 0 HA SER A 54 1.719 -4.022 -14.288 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.372 -6.683 -12.947 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.887 -6.317 -13.802 1.00 0.00 H new ATOM 0 HG SER A 54 2.422 -7.424 -15.143 1.00 0.00 H new ATOM 906 N ARG A 55 2.194 -4.227 -11.078 1.00 0.00 N ATOM 907 CA ARG A 55 1.635 -3.883 -9.774 1.00 0.00 C ATOM 908 C ARG A 55 1.798 -2.393 -9.470 1.00 0.00 C ATOM 909 O ARG A 55 1.192 -1.879 -8.530 1.00 0.00 O ATOM 910 CB ARG A 55 2.306 -4.700 -8.667 1.00 0.00 C ATOM 911 CG ARG A 55 2.641 -6.129 -9.058 1.00 0.00 C ATOM 912 CD ARG A 55 3.659 -6.737 -8.104 1.00 0.00 C ATOM 913 NE ARG A 55 3.219 -8.031 -7.583 1.00 0.00 N ATOM 914 CZ ARG A 55 3.044 -9.114 -8.336 1.00 0.00 C ATOM 915 NH1 ARG A 55 3.265 -9.064 -9.644 1.00 0.00 N ATOM 916 NH2 ARG A 55 2.645 -10.249 -7.781 1.00 0.00 N ATOM 0 H ARG A 55 3.186 -4.465 -11.062 1.00 0.00 H new ATOM 0 HA ARG A 55 0.571 -4.118 -9.807 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.223 -4.195 -8.364 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.650 -4.718 -7.797 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.733 -6.731 -9.057 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.035 -6.148 -10.074 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.611 -6.859 -8.620 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.832 -6.052 -7.274 1.00 0.00 H new ATOM 0 HE ARG A 55 3.035 -8.108 -6.583 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.571 -8.192 -10.077 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.129 -9.897 -10.216 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.472 -10.292 -6.777 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.511 -11.079 -8.358 1.00 0.00 H new ATOM 930 N LEU A 56 2.625 -1.706 -10.259 1.00 0.00 N ATOM 931 CA LEU A 56 2.869 -0.278 -10.057 1.00 0.00 C ATOM 932 C LEU A 56 1.567 0.483 -9.793 1.00 0.00 C ATOM 933 O LEU A 56 1.469 1.236 -8.823 1.00 0.00 O ATOM 934 CB LEU A 56 3.588 0.318 -11.269 1.00 0.00 C ATOM 935 CG LEU A 56 5.111 0.380 -11.151 1.00 0.00 C ATOM 936 CD1 LEU A 56 5.739 0.711 -12.497 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.523 1.403 -10.103 1.00 0.00 C ATOM 0 H LEU A 56 3.136 -2.114 -11.042 1.00 0.00 H new ATOM 0 HA LEU A 56 3.504 -0.174 -9.177 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.331 -0.269 -12.150 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.210 1.327 -11.437 1.00 0.00 H new ATOM 0 HG LEU A 56 5.472 -0.599 -10.836 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.823 0.751 -12.393 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.472 -0.058 -13.222 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.372 1.678 -12.842 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.610 1.434 -10.032 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.150 2.387 -10.388 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.104 1.123 -9.136 1.00 0.00 H new ATOM 949 N PRO A 57 0.547 0.296 -10.650 1.00 0.00 N ATOM 950 CA PRO A 57 -0.745 0.970 -10.487 1.00 0.00 C ATOM 951 C PRO A 57 -1.343 0.748 -9.102 1.00 0.00 C ATOM 952 O PRO A 57 -2.161 1.540 -8.633 1.00 0.00 O ATOM 953 CB PRO A 57 -1.628 0.321 -11.558 1.00 0.00 C ATOM 954 CG PRO A 57 -0.673 -0.188 -12.582 1.00 0.00 C ATOM 955 CD PRO A 57 0.567 -0.585 -11.832 1.00 0.00 C ATOM 0 HA PRO A 57 -0.653 2.051 -10.590 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.227 -0.488 -11.140 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.322 1.043 -11.989 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.093 -1.039 -13.119 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.451 0.579 -13.324 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.546 -1.637 -11.549 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.465 -0.434 -12.431 1.00 0.00 H new ATOM 963 N LEU A 58 -0.931 -0.335 -8.452 1.00 0.00 N ATOM 964 CA LEU A 58 -1.423 -0.668 -7.120 1.00 0.00 C ATOM 965 C LEU A 58 -1.084 0.431 -6.117 1.00 0.00 C ATOM 966 O LEU A 58 -1.872 0.730 -5.220 1.00 0.00 O ATOM 967 CB LEU A 58 -0.829 -1.998 -6.655 1.00 0.00 C ATOM 968 CG LEU A 58 -1.528 -2.637 -5.453 1.00 0.00 C ATOM 969 CD1 LEU A 58 -1.691 -4.135 -5.663 1.00 0.00 C ATOM 970 CD2 LEU A 58 -0.750 -2.359 -4.176 1.00 0.00 C ATOM 0 H LEU A 58 -0.255 -1.000 -8.828 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.508 -0.758 -7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.857 -2.701 -7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.220 -1.842 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.519 -2.195 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.190 -4.572 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.290 -4.314 -6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.710 -4.594 -5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.261 -2.820 -3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.254 -2.774 -4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.685 -1.283 -4.017 1.00 0.00 H new ATOM 982 N PHE A 59 0.094 1.029 -6.275 1.00 0.00 N ATOM 983 CA PHE A 59 0.544 2.095 -5.381 1.00 0.00 C ATOM 984 C PHE A 59 -0.525 3.174 -5.224 1.00 0.00 C ATOM 985 O PHE A 59 -0.668 3.773 -4.155 1.00 0.00 O ATOM 986 CB PHE A 59 1.839 2.716 -5.911 1.00 0.00 C ATOM 987 CG PHE A 59 3.062 1.894 -5.619 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.310 0.723 -6.321 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.963 2.291 -4.645 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.434 -0.035 -6.055 1.00 0.00 C ATOM 991 CE2 PHE A 59 5.090 1.537 -4.374 1.00 0.00 C ATOM 992 CZ PHE A 59 5.325 0.371 -5.079 1.00 0.00 C ATOM 0 H PHE A 59 0.756 0.794 -7.015 1.00 0.00 H new ATOM 0 HA PHE A 59 0.730 1.656 -4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.752 2.853 -6.989 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.964 3.706 -5.473 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.617 0.401 -7.084 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.783 3.200 -4.091 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.616 -0.944 -6.609 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.786 1.858 -3.613 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.203 -0.221 -4.868 1.00 0.00 H new ATOM 1002 N ASP A 60 -1.277 3.414 -6.295 1.00 0.00 N ATOM 1003 CA ASP A 60 -2.336 4.417 -6.277 1.00 0.00 C ATOM 1004 C ASP A 60 -3.298 4.172 -5.122 1.00 0.00 C ATOM 1005 O ASP A 60 -3.638 5.090 -4.380 1.00 0.00 O ATOM 1006 CB ASP A 60 -3.099 4.410 -7.603 1.00 0.00 C ATOM 1007 CG ASP A 60 -2.383 5.192 -8.686 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -1.143 5.084 -8.775 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -3.065 5.914 -9.445 1.00 0.00 O ATOM 0 H ASP A 60 -1.172 2.928 -7.185 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.873 5.394 -6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.238 3.381 -7.934 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.092 4.832 -7.450 1.00 0.00 H new ATOM 1014 N ALA A 61 -3.733 2.930 -4.980 1.00 0.00 N ATOM 1015 CA ALA A 61 -4.654 2.553 -3.914 1.00 0.00 C ATOM 1016 C ALA A 61 -3.967 2.540 -2.546 1.00 0.00 C ATOM 1017 O ALA A 61 -4.632 2.568 -1.512 1.00 0.00 O ATOM 1018 CB ALA A 61 -5.269 1.193 -4.208 1.00 0.00 C ATOM 0 H ALA A 61 -3.462 2.160 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.443 3.304 -3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.955 0.923 -3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.814 1.236 -5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.480 0.444 -4.279 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.637 2.476 -2.547 1.00 0.00 N ATOM 1025 CA ILE A 62 -1.869 2.435 -1.302 1.00 0.00 C ATOM 1026 C ILE A 62 -1.835 3.790 -0.595 1.00 0.00 C ATOM 1027 O ILE A 62 -1.960 3.861 0.626 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.422 1.963 -1.549 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -0.419 0.616 -2.276 1.00 0.00 C ATOM 1030 CG2 ILE A 62 0.339 1.862 -0.234 1.00 0.00 C ATOM 1031 CD1 ILE A 62 0.969 0.062 -2.520 1.00 0.00 C ATOM 0 H ILE A 62 -2.069 2.451 -3.394 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.381 1.720 -0.658 1.00 0.00 H new ATOM 0 HB ILE A 62 0.079 2.698 -2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.991 -0.104 -1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.930 0.728 -3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.358 1.527 -0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.363 2.839 0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.159 1.147 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.893 -0.894 -3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.538 0.763 -3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.476 -0.082 -1.566 1.00 0.00 H new ATOM 1043 N ARG A 63 -1.636 4.860 -1.354 1.00 0.00 N ATOM 1044 CA ARG A 63 -1.562 6.201 -0.761 1.00 0.00 C ATOM 1045 C ARG A 63 -2.830 6.550 0.032 1.00 0.00 C ATOM 1046 O ARG A 63 -2.747 6.975 1.185 1.00 0.00 O ATOM 1047 CB ARG A 63 -1.301 7.292 -1.820 1.00 0.00 C ATOM 1048 CG ARG A 63 -1.275 6.806 -3.262 1.00 0.00 C ATOM 1049 CD ARG A 63 -1.529 7.947 -4.233 1.00 0.00 C ATOM 1050 NE ARG A 63 -2.948 8.082 -4.556 1.00 0.00 N ATOM 1051 CZ ARG A 63 -3.535 9.236 -4.873 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -2.827 10.358 -4.932 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -4.834 9.266 -5.138 1.00 0.00 N ATOM 0 H ARG A 63 -1.524 4.834 -2.367 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.716 6.176 -0.074 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.071 8.058 -1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.347 7.770 -1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.308 6.351 -3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.030 6.032 -3.401 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.165 8.879 -3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.963 7.777 -5.149 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.525 7.241 -4.538 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.827 10.341 -4.734 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.284 11.237 -5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.382 8.407 -5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.285 10.148 -5.381 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.018 6.404 -0.583 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.298 6.731 0.058 1.00 0.00 C ATOM 1069 C PRO A 64 -5.389 6.316 1.526 1.00 0.00 C ATOM 1070 O PRO A 64 -5.709 7.138 2.386 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.296 5.938 -0.780 1.00 0.00 C ATOM 1072 CG PRO A 64 -5.708 5.931 -2.147 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.210 5.933 -1.967 1.00 0.00 C ATOM 0 HA PRO A 64 -5.466 7.808 0.085 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.421 4.926 -0.396 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.281 6.406 -0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.031 5.052 -2.704 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.032 6.804 -2.714 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.789 4.938 -2.112 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.723 6.593 -2.685 1.00 0.00 H new ATOM 1081 N LEU A 65 -5.119 5.047 1.818 1.00 0.00 N ATOM 1082 CA LEU A 65 -5.188 4.560 3.195 1.00 0.00 C ATOM 1083 C LEU A 65 -4.116 5.208 4.066 1.00 0.00 C ATOM 1084 O LEU A 65 -4.241 5.246 5.291 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.060 3.034 3.247 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.036 2.430 2.288 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -3.157 1.417 3.005 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -4.735 1.785 1.100 1.00 0.00 C ATOM 0 H LEU A 65 -4.853 4.343 1.129 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.165 4.839 3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.796 2.743 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.035 2.597 3.033 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.398 3.233 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.435 1.000 2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.627 1.908 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.778 0.616 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.991 1.360 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.398 0.995 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.317 2.537 0.568 1.00 0.00 H new ATOM 1100 N ILE A 66 -3.064 5.718 3.432 1.00 0.00 N ATOM 1101 CA ILE A 66 -1.977 6.361 4.160 1.00 0.00 C ATOM 1102 C ILE A 66 -2.368 7.776 4.593 1.00 0.00 C ATOM 1103 O ILE A 66 -3.179 8.433 3.941 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.678 6.394 3.310 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.500 5.840 4.115 1.00 0.00 C ATOM 1106 CG2 ILE A 66 -0.368 7.801 2.808 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.032 4.529 3.578 1.00 0.00 C ATOM 0 H ILE A 66 -2.942 5.698 2.419 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.784 5.770 5.055 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.838 5.762 2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.305 6.575 4.120 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.189 5.701 5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.548 7.783 2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.192 8.156 2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.238 8.470 3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.865 4.194 4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.241 3.780 3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.374 4.668 2.552 1.00 0.00 H new ATOM 1119 N PRO A 67 -1.795 8.263 5.710 1.00 0.00 N ATOM 1120 CA PRO A 67 -2.087 9.601 6.236 1.00 0.00 C ATOM 1121 C PRO A 67 -2.009 10.687 5.165 1.00 0.00 C ATOM 1122 O PRO A 67 -1.353 10.516 4.138 1.00 0.00 O ATOM 1123 CB PRO A 67 -0.998 9.805 7.289 1.00 0.00 C ATOM 1124 CG PRO A 67 -0.675 8.429 7.757 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.819 7.541 6.552 1.00 0.00 C ATOM 0 HA PRO A 67 -3.102 9.672 6.627 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.122 10.297 6.865 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.350 10.431 8.109 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.337 8.381 8.160 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.350 8.119 8.554 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.132 7.404 6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.179 6.549 6.824 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.687 11.804 5.416 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.704 12.927 4.472 1.00 0.00 C ATOM 1135 C LEU A 68 -1.286 13.310 4.050 1.00 0.00 C ATOM 1136 O LEU A 68 -0.846 12.979 2.950 1.00 0.00 O ATOM 1137 CB LEU A 68 -3.417 14.160 5.062 1.00 0.00 C ATOM 1138 CG LEU A 68 -3.941 14.026 6.496 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -2.788 13.957 7.485 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -4.861 15.191 6.834 1.00 0.00 C ATOM 0 H LEU A 68 -3.233 11.959 6.264 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.261 12.594 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.726 15.002 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.257 14.411 4.414 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.510 13.099 6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.182 13.862 8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.164 13.093 7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.191 14.866 7.412 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.225 15.082 7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.311 16.127 6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.706 15.198 6.146 1.00 0.00 H new ATOM 1152 N LYS A 69 -0.578 14.015 4.929 1.00 0.00 N ATOM 1153 CA LYS A 69 0.788 14.449 4.647 1.00 0.00 C ATOM 1154 C LYS A 69 1.620 13.310 4.065 1.00 0.00 C ATOM 1155 O LYS A 69 2.500 13.531 3.229 1.00 0.00 O ATOM 1156 CB LYS A 69 1.450 14.980 5.921 1.00 0.00 C ATOM 1157 CG LYS A 69 1.310 14.050 7.114 1.00 0.00 C ATOM 1158 CD LYS A 69 1.696 14.744 8.411 1.00 0.00 C ATOM 1159 CE LYS A 69 3.143 15.205 8.386 1.00 0.00 C ATOM 1160 NZ LYS A 69 4.092 14.058 8.371 1.00 0.00 N ATOM 0 H LYS A 69 -0.928 14.298 5.844 1.00 0.00 H new ATOM 0 HA LYS A 69 0.739 15.249 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.509 15.150 5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.013 15.947 6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.281 13.696 7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.940 13.173 6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.043 15.601 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.544 14.063 9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.311 15.826 7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.340 15.828 9.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.063 14.410 8.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.861 13.406 9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.015 13.556 7.464 1.00 0.00 H new ATOM 1174 N HIS A 70 1.333 12.091 4.507 1.00 0.00 N ATOM 1175 CA HIS A 70 2.051 10.918 4.030 1.00 0.00 C ATOM 1176 C HIS A 70 1.729 10.644 2.565 1.00 0.00 C ATOM 1177 O HIS A 70 2.594 10.218 1.802 1.00 0.00 O ATOM 1178 CB HIS A 70 1.702 9.698 4.884 1.00 0.00 C ATOM 1179 CG HIS A 70 2.347 9.718 6.234 1.00 0.00 C ATOM 1180 ND1 HIS A 70 2.379 8.621 7.070 1.00 0.00 N ATOM 1181 CD2 HIS A 70 2.991 10.711 6.895 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.013 8.939 8.185 1.00 0.00 C ATOM 1183 NE2 HIS A 70 3.394 10.199 8.103 1.00 0.00 N ATOM 0 H HIS A 70 0.607 11.890 5.195 1.00 0.00 H new ATOM 0 HA HIS A 70 3.120 11.115 4.116 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.620 9.646 5.006 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.007 8.794 4.356 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.156 11.717 6.538 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.189 8.279 9.022 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.906 10.711 8.822 1.00 0.00 H new ATOM 1192 N GLN A 71 0.484 10.897 2.175 1.00 0.00 N ATOM 1193 CA GLN A 71 0.059 10.684 0.796 1.00 0.00 C ATOM 1194 C GLN A 71 0.872 11.555 -0.154 1.00 0.00 C ATOM 1195 O GLN A 71 1.374 11.084 -1.175 1.00 0.00 O ATOM 1196 CB GLN A 71 -1.434 10.991 0.640 1.00 0.00 C ATOM 1197 CG GLN A 71 -2.327 9.770 0.774 1.00 0.00 C ATOM 1198 CD GLN A 71 -3.632 9.917 0.017 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -3.788 9.388 -1.085 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -4.579 10.640 0.603 1.00 0.00 N ATOM 0 H GLN A 71 -0.247 11.249 2.793 1.00 0.00 H new ATOM 0 HA GLN A 71 0.230 9.637 0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.725 11.726 1.390 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.602 11.447 -0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.795 8.893 0.406 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.541 9.594 1.828 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.408 11.060 1.516 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.478 10.775 0.140 1.00 0.00 H new ATOM 1209 N VAL A 72 0.998 12.828 0.198 1.00 0.00 N ATOM 1210 CA VAL A 72 1.751 13.776 -0.612 1.00 0.00 C ATOM 1211 C VAL A 72 3.200 13.330 -0.766 1.00 0.00 C ATOM 1212 O VAL A 72 3.703 13.194 -1.881 1.00 0.00 O ATOM 1213 CB VAL A 72 1.723 15.190 0.002 1.00 0.00 C ATOM 1214 CG1 VAL A 72 2.387 16.193 -0.930 1.00 0.00 C ATOM 1215 CG2 VAL A 72 0.293 15.609 0.316 1.00 0.00 C ATOM 0 H VAL A 72 0.587 13.228 1.041 1.00 0.00 H new ATOM 0 HA VAL A 72 1.274 13.806 -1.591 1.00 0.00 H new ATOM 0 HB VAL A 72 2.285 15.170 0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.357 17.185 -0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.424 15.902 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.856 16.212 -1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.294 16.609 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.295 15.611 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.144 14.907 1.026 1.00 0.00 H new ATOM 1225 N GLU A 73 3.868 13.098 0.361 1.00 0.00 N ATOM 1226 CA GLU A 73 5.258 12.664 0.342 1.00 0.00 C ATOM 1227 C GLU A 73 5.393 11.316 -0.351 1.00 0.00 C ATOM 1228 O GLU A 73 6.352 11.077 -1.085 1.00 0.00 O ATOM 1229 CB GLU A 73 5.815 12.583 1.766 1.00 0.00 C ATOM 1230 CG GLU A 73 7.284 12.194 1.823 1.00 0.00 C ATOM 1231 CD GLU A 73 8.169 13.322 2.319 1.00 0.00 C ATOM 1232 OE1 GLU A 73 7.683 14.150 3.117 1.00 0.00 O ATOM 1233 OE2 GLU A 73 9.346 13.376 1.908 1.00 0.00 O ATOM 0 H GLU A 73 3.470 13.203 1.294 1.00 0.00 H new ATOM 0 HA GLU A 73 5.835 13.400 -0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.684 13.549 2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.233 11.857 2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.402 11.330 2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.614 11.889 0.830 1.00 0.00 H new ATOM 1240 N TYR A 74 4.418 10.438 -0.130 1.00 0.00 N ATOM 1241 CA TYR A 74 4.429 9.120 -0.754 1.00 0.00 C ATOM 1242 C TYR A 74 4.572 9.267 -2.262 1.00 0.00 C ATOM 1243 O TYR A 74 5.315 8.527 -2.907 1.00 0.00 O ATOM 1244 CB TYR A 74 3.148 8.356 -0.418 1.00 0.00 C ATOM 1245 CG TYR A 74 3.184 6.900 -0.825 1.00 0.00 C ATOM 1246 CD1 TYR A 74 3.037 6.526 -2.155 1.00 0.00 C ATOM 1247 CD2 TYR A 74 3.360 5.899 0.124 1.00 0.00 C ATOM 1248 CE1 TYR A 74 3.067 5.196 -2.529 1.00 0.00 C ATOM 1249 CE2 TYR A 74 3.392 4.568 -0.244 1.00 0.00 C ATOM 1250 CZ TYR A 74 3.244 4.222 -1.569 1.00 0.00 C ATOM 1251 OH TYR A 74 3.276 2.896 -1.937 1.00 0.00 O ATOM 0 H TYR A 74 3.615 10.615 0.473 1.00 0.00 H new ATOM 0 HA TYR A 74 5.277 8.555 -0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.968 8.420 0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.306 8.841 -0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.897 7.287 -2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.473 6.166 1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.952 4.921 -3.567 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.532 3.802 0.504 1.00 0.00 H new ATOM 0 HH TYR A 74 4.008 2.750 -2.573 1.00 0.00 H new ATOM 1261 N ASP A 75 3.863 10.247 -2.811 1.00 0.00 N ATOM 1262 CA ASP A 75 3.914 10.524 -4.239 1.00 0.00 C ATOM 1263 C ASP A 75 5.244 11.170 -4.610 1.00 0.00 C ATOM 1264 O ASP A 75 5.753 10.973 -5.713 1.00 0.00 O ATOM 1265 CB ASP A 75 2.756 11.437 -4.646 1.00 0.00 C ATOM 1266 CG ASP A 75 1.502 10.661 -4.997 1.00 0.00 C ATOM 1267 OD1 ASP A 75 1.576 9.782 -5.882 1.00 0.00 O ATOM 1268 OD2 ASP A 75 0.448 10.929 -4.385 1.00 0.00 O ATOM 0 H ASP A 75 3.244 10.864 -2.285 1.00 0.00 H new ATOM 0 HA ASP A 75 3.822 9.580 -4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.537 12.126 -3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.057 12.041 -5.502 1.00 0.00 H new ATOM 1273 N GLN A 76 5.805 11.945 -3.681 1.00 0.00 N ATOM 1274 CA GLN A 76 7.076 12.618 -3.916 1.00 0.00 C ATOM 1275 C GLN A 76 8.208 11.606 -4.069 1.00 0.00 C ATOM 1276 O GLN A 76 9.169 11.840 -4.801 1.00 0.00 O ATOM 1277 CB GLN A 76 7.388 13.581 -2.771 1.00 0.00 C ATOM 1278 CG GLN A 76 6.441 14.769 -2.699 1.00 0.00 C ATOM 1279 CD GLN A 76 6.577 15.695 -3.892 1.00 0.00 C ATOM 1280 OE1 GLN A 76 7.307 15.403 -4.840 1.00 0.00 O ATOM 1281 NE2 GLN A 76 5.872 16.819 -3.850 1.00 0.00 N ATOM 0 H GLN A 76 5.398 12.120 -2.762 1.00 0.00 H new ATOM 0 HA GLN A 76 6.992 13.184 -4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.346 13.036 -1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.409 13.947 -2.883 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.414 14.408 -2.639 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.636 15.329 -1.785 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.280 17.020 -3.044 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.922 17.482 -4.624 1.00 0.00 H new ATOM 1290 N LEU A 77 8.087 10.481 -3.370 1.00 0.00 N ATOM 1291 CA LEU A 77 9.101 9.434 -3.426 1.00 0.00 C ATOM 1292 C LEU A 77 8.789 8.432 -4.533 1.00 0.00 C ATOM 1293 O LEU A 77 9.695 7.854 -5.131 1.00 0.00 O ATOM 1294 CB LEU A 77 9.192 8.713 -2.080 1.00 0.00 C ATOM 1295 CG LEU A 77 9.374 9.626 -0.865 1.00 0.00 C ATOM 1296 CD1 LEU A 77 8.838 8.959 0.390 1.00 0.00 C ATOM 1297 CD2 LEU A 77 10.839 9.996 -0.692 1.00 0.00 C ATOM 0 H LEU A 77 7.298 10.272 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 77 10.060 9.903 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.286 8.123 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.026 8.012 -2.117 1.00 0.00 H new ATOM 0 HG LEU A 77 8.806 10.541 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.976 9.624 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.776 8.747 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.376 8.027 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.950 10.645 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.428 9.091 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.190 10.518 -1.582 1.00 0.00 H new ATOM 1309 N THR A 78 7.502 8.233 -4.799 1.00 0.00 N ATOM 1310 CA THR A 78 7.073 7.300 -5.833 1.00 0.00 C ATOM 1311 C THR A 78 6.610 8.045 -7.083 1.00 0.00 C ATOM 1312 O THR A 78 5.444 8.427 -7.192 1.00 0.00 O ATOM 1313 CB THR A 78 5.943 6.411 -5.310 1.00 0.00 C ATOM 1314 OG1 THR A 78 4.792 7.182 -5.019 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.315 5.648 -4.055 1.00 0.00 C ATOM 0 H THR A 78 6.739 8.705 -4.313 1.00 0.00 H new ATOM 0 HA THR A 78 7.926 6.676 -6.099 1.00 0.00 H new ATOM 0 HB THR A 78 5.746 5.694 -6.107 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.973 7.762 -4.250 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.470 5.037 -3.737 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.171 5.005 -4.260 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.572 6.352 -3.264 1.00 0.00 H new ATOM 1323 N PRO A 79 7.519 8.263 -8.049 1.00 0.00 N ATOM 1324 CA PRO A 79 7.196 8.965 -9.294 1.00 0.00 C ATOM 1325 C PRO A 79 6.313 8.130 -10.216 1.00 0.00 C ATOM 1326 O PRO A 79 5.771 7.102 -9.810 1.00 0.00 O ATOM 1327 CB PRO A 79 8.564 9.201 -9.934 1.00 0.00 C ATOM 1328 CG PRO A 79 9.425 8.112 -9.400 1.00 0.00 C ATOM 1329 CD PRO A 79 8.934 7.841 -8.003 1.00 0.00 C ATOM 0 HA PRO A 79 6.633 9.880 -9.112 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.504 9.161 -11.022 1.00 0.00 H new ATOM 0 HB3 PRO A 79 8.959 10.182 -9.672 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.352 7.218 -10.019 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.473 8.411 -9.394 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.031 6.788 -7.741 1.00 0.00 H new ATOM 0 HD3 PRO A 79 9.498 8.407 -7.262 1.00 0.00 H new ATOM 1337 N ARG A 80 6.173 8.577 -11.460 1.00 0.00 N ATOM 1338 CA ARG A 80 5.356 7.872 -12.439 1.00 0.00 C ATOM 1339 C ARG A 80 6.012 7.899 -13.817 1.00 0.00 C ATOM 1340 O ARG A 80 6.129 8.955 -14.439 1.00 0.00 O ATOM 1341 CB ARG A 80 3.960 8.492 -12.514 1.00 0.00 C ATOM 1342 CG ARG A 80 3.030 7.783 -13.486 1.00 0.00 C ATOM 1343 CD ARG A 80 1.617 7.681 -12.935 1.00 0.00 C ATOM 1344 NE ARG A 80 0.697 7.075 -13.895 1.00 0.00 N ATOM 1345 CZ ARG A 80 0.166 7.728 -14.923 1.00 0.00 C ATOM 1346 NH1 ARG A 80 0.460 9.006 -15.132 1.00 0.00 N ATOM 1347 NH2 ARG A 80 -0.662 7.102 -15.750 1.00 0.00 N ATOM 0 H ARG A 80 6.616 9.425 -11.813 1.00 0.00 H new ATOM 0 HA ARG A 80 5.267 6.834 -12.119 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.512 8.479 -11.520 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.051 9.537 -12.809 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.014 8.322 -14.433 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.413 6.784 -13.694 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.627 7.090 -12.019 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.259 8.675 -12.668 1.00 0.00 H new ATOM 0 HE ARG A 80 0.448 6.094 -13.769 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.097 9.492 -14.501 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.049 9.501 -15.923 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.891 6.120 -15.596 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.070 7.603 -16.539 1.00 0.00 H new TER 1361 ARG A 80