USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 804 hydrogens (21 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 78 LYS NZ :NH3+ 170:sc= 0.859 (180deg=-0.267) USER MOD Set 1.2: A 79 ASN : amide:sc= 0.574 K(o=1.4,f=-11!) USER MOD Set 2.1: A 70 THR OG1 : rot 111:sc= 0.177 USER MOD Set 2.2: A 73 GLN : amide:sc= 0.111 K(o=0.29,f=-1.3) USER MOD Set 2.3: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 24 THR OG1 : rot -38:sc= 1.21 USER MOD Set 3.2: A 27 SER OG : rot -83:sc= 1.37 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0167 (180deg=-0.253) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -110:sc= -0.796 USER MOD Single : A 10 THR OG1 : rot 73:sc= 1 USER MOD Single : A 15 THR OG1 : rot 81:sc= 1.09 USER MOD Single : A 16 CYS SG : rot -35:sc= -0.151 USER MOD Single : A 22 THR OG1 : rot -21:sc= 1.09 USER MOD Single : A 28 HIS : no HD1:sc= -0.192 K(o=-0.19,f=-7.6!) USER MOD Single : A 49 LYS NZ :NH3+ -139:sc= -0.479 (180deg=-2.4!) USER MOD Single : A 54 LYS NZ :NH3+ 148:sc= 1.21 (180deg=0.102) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 70:sc= 0.952 USER MOD Single : A 62 GLN : amide:sc= -0.426 K(o=-0.43,f=-4.3!) USER MOD Single : A 65 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.62) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00925 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.37) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 102 PNS O33 : rot 180:sc=-0.00165 USER MOD Single : A 102 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.935 -1.325 -1.940 1.00 0.00 N ATOM 2 CA MET A 1 -15.966 -0.296 -1.647 1.00 0.00 C ATOM 3 C MET A 1 -15.297 1.083 -1.565 1.00 0.00 C ATOM 4 O MET A 1 -15.752 2.045 -2.185 1.00 0.00 O ATOM 5 CB MET A 1 -16.725 -0.647 -0.338 1.00 0.00 C ATOM 6 CG MET A 1 -17.464 -1.995 -0.381 1.00 0.00 C ATOM 7 SD MET A 1 -18.274 -2.415 1.179 1.00 0.00 S ATOM 8 CE MET A 1 -19.011 -4.005 0.788 1.00 0.00 C ATOM 0 H1 MET A 1 -15.400 -2.209 -2.229 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.319 -0.990 -2.708 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.364 -1.497 -1.088 1.00 0.00 H new ATOM 0 HA MET A 1 -16.703 -0.273 -2.450 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.014 -0.661 0.488 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.445 0.143 -0.126 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.211 -1.967 -1.174 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.755 -2.782 -0.638 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.544 -4.384 1.660 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.709 -3.888 -0.041 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.228 -4.710 0.507 1.00 0.00 H new ATOM 20 N THR A 2 -14.206 1.163 -0.790 1.00 0.00 N ATOM 21 CA THR A 2 -13.327 2.339 -0.753 1.00 0.00 C ATOM 22 C THR A 2 -12.088 2.053 -1.613 1.00 0.00 C ATOM 23 O THR A 2 -11.347 1.103 -1.331 1.00 0.00 O ATOM 24 CB THR A 2 -12.893 2.675 0.717 1.00 0.00 C ATOM 25 OG1 THR A 2 -14.058 2.761 1.550 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.108 4.008 0.817 1.00 0.00 C ATOM 0 H THR A 2 -13.908 0.411 -0.169 1.00 0.00 H new ATOM 0 HA THR A 2 -13.868 3.201 -1.145 1.00 0.00 H new ATOM 0 HB THR A 2 -12.232 1.874 1.048 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.788 2.969 2.469 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.833 4.191 1.856 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.206 3.946 0.208 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.733 4.826 0.458 1.00 0.00 H new ATOM 34 N SER A 3 -11.899 2.835 -2.688 1.00 0.00 N ATOM 35 CA SER A 3 -10.671 2.776 -3.484 1.00 0.00 C ATOM 36 C SER A 3 -9.477 3.192 -2.606 1.00 0.00 C ATOM 37 O SER A 3 -9.578 4.158 -1.824 1.00 0.00 O ATOM 38 CB SER A 3 -10.785 3.676 -4.728 1.00 0.00 C ATOM 39 OG SER A 3 -11.852 3.265 -5.572 1.00 0.00 O ATOM 0 H SER A 3 -12.583 3.514 -3.023 1.00 0.00 H new ATOM 0 HA SER A 3 -10.515 1.755 -3.833 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.942 4.709 -4.418 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.848 3.649 -5.285 1.00 0.00 H new ATOM 0 HG SER A 3 -11.899 3.857 -6.352 1.00 0.00 H new ATOM 45 N THR A 4 -8.372 2.439 -2.721 1.00 0.00 N ATOM 46 CA THR A 4 -7.184 2.615 -1.874 1.00 0.00 C ATOM 47 C THR A 4 -6.619 4.046 -1.983 1.00 0.00 C ATOM 48 O THR A 4 -6.160 4.586 -0.988 1.00 0.00 O ATOM 49 CB THR A 4 -6.098 1.565 -2.236 1.00 0.00 C ATOM 50 OG1 THR A 4 -6.659 0.250 -2.157 1.00 0.00 O ATOM 51 CG2 THR A 4 -4.872 1.641 -1.316 1.00 0.00 C ATOM 0 H THR A 4 -8.278 1.689 -3.406 1.00 0.00 H new ATOM 0 HA THR A 4 -7.486 2.460 -0.838 1.00 0.00 H new ATOM 0 HB THR A 4 -5.764 1.785 -3.250 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.276 -0.223 -1.389 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.146 0.885 -1.615 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.420 2.630 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.179 1.462 -0.285 1.00 0.00 H new ATOM 59 N PHE A 5 -6.718 4.662 -3.185 1.00 0.00 N ATOM 60 CA PHE A 5 -6.318 6.071 -3.397 1.00 0.00 C ATOM 61 C PHE A 5 -7.093 7.022 -2.461 1.00 0.00 C ATOM 62 O PHE A 5 -6.484 7.870 -1.829 1.00 0.00 O ATOM 63 CB PHE A 5 -6.510 6.523 -4.880 1.00 0.00 C ATOM 64 CG PHE A 5 -6.447 8.058 -5.048 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.269 8.758 -4.782 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.587 8.799 -5.391 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.235 10.136 -4.842 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.542 10.174 -5.467 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.369 10.843 -5.187 1.00 0.00 C ATOM 0 H PHE A 5 -7.073 4.202 -4.024 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.255 6.126 -3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.740 6.062 -5.499 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.471 6.161 -5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.372 8.214 -4.526 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.514 8.285 -5.599 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.319 10.663 -4.618 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.426 10.728 -5.746 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.338 11.921 -5.238 1.00 0.00 H new ATOM 79 N ASP A 6 -8.434 6.880 -2.407 1.00 0.00 N ATOM 80 CA ASP A 6 -9.307 7.763 -1.590 1.00 0.00 C ATOM 81 C ASP A 6 -8.892 7.718 -0.116 1.00 0.00 C ATOM 82 O ASP A 6 -8.771 8.760 0.533 1.00 0.00 O ATOM 83 CB ASP A 6 -10.803 7.378 -1.739 1.00 0.00 C ATOM 84 CG ASP A 6 -11.390 7.781 -3.099 1.00 0.00 C ATOM 85 OD1 ASP A 6 -11.562 8.999 -3.339 1.00 0.00 O ATOM 86 OD2 ASP A 6 -11.673 6.901 -3.933 1.00 0.00 O ATOM 0 H ASP A 6 -8.942 6.160 -2.921 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.183 8.781 -1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.911 6.301 -1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.377 7.856 -0.945 1.00 0.00 H new ATOM 91 N ARG A 7 -8.649 6.486 0.372 1.00 0.00 N ATOM 92 CA ARG A 7 -8.167 6.227 1.732 1.00 0.00 C ATOM 93 C ARG A 7 -6.796 6.911 1.983 1.00 0.00 C ATOM 94 O ARG A 7 -6.646 7.654 2.954 1.00 0.00 O ATOM 95 CB ARG A 7 -8.104 4.673 1.995 1.00 0.00 C ATOM 96 CG ARG A 7 -8.814 4.230 3.289 1.00 0.00 C ATOM 97 CD ARG A 7 -8.207 4.874 4.548 1.00 0.00 C ATOM 98 NE ARG A 7 -8.917 4.493 5.779 1.00 0.00 N ATOM 99 CZ ARG A 7 -8.691 5.026 6.990 1.00 0.00 C ATOM 100 NH1 ARG A 7 -7.784 5.984 7.150 1.00 0.00 N ATOM 101 NH2 ARG A 7 -9.374 4.596 8.033 1.00 0.00 N ATOM 0 H ARG A 7 -8.785 5.637 -0.177 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.870 6.663 2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.553 4.153 1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.060 4.364 2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.871 4.490 3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.757 3.145 3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.160 4.582 4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.228 5.959 4.442 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.634 3.771 5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.252 6.321 6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.620 6.382 8.075 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.071 3.861 7.918 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.205 4.999 8.955 1.00 0.00 H new ATOM 115 N VAL A 8 -5.839 6.680 1.060 1.00 0.00 N ATOM 116 CA VAL A 8 -4.465 7.245 1.107 1.00 0.00 C ATOM 117 C VAL A 8 -4.492 8.778 1.140 1.00 0.00 C ATOM 118 O VAL A 8 -3.832 9.397 1.964 1.00 0.00 O ATOM 119 CB VAL A 8 -3.610 6.738 -0.131 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.293 7.546 -0.321 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.309 5.227 0.010 1.00 0.00 C ATOM 0 H VAL A 8 -5.997 6.086 0.246 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.995 6.896 2.026 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.210 6.903 -1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.748 7.157 -1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.531 8.597 -0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.676 7.451 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.722 4.892 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.747 5.052 0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.246 4.671 0.047 1.00 0.00 H new ATOM 131 N ALA A 9 -5.303 9.358 0.256 1.00 0.00 N ATOM 132 CA ALA A 9 -5.406 10.806 0.044 1.00 0.00 C ATOM 133 C ALA A 9 -5.963 11.516 1.289 1.00 0.00 C ATOM 134 O ALA A 9 -5.544 12.633 1.621 1.00 0.00 O ATOM 135 CB ALA A 9 -6.290 11.074 -1.180 1.00 0.00 C ATOM 0 H ALA A 9 -5.924 8.822 -0.350 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.409 11.208 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.370 12.149 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.846 10.606 -2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.283 10.658 -1.010 1.00 0.00 H new ATOM 141 N THR A 10 -6.930 10.850 1.954 1.00 0.00 N ATOM 142 CA THR A 10 -7.459 11.275 3.259 1.00 0.00 C ATOM 143 C THR A 10 -6.344 11.246 4.327 1.00 0.00 C ATOM 144 O THR A 10 -6.184 12.192 5.092 1.00 0.00 O ATOM 145 CB THR A 10 -8.658 10.367 3.706 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.666 10.354 2.683 1.00 0.00 O ATOM 147 CG2 THR A 10 -9.287 10.841 5.029 1.00 0.00 C ATOM 0 H THR A 10 -7.365 10.000 1.596 1.00 0.00 H new ATOM 0 HA THR A 10 -7.825 12.297 3.156 1.00 0.00 H new ATOM 0 HB THR A 10 -8.262 9.364 3.864 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.355 9.817 1.925 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.112 10.181 5.297 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.535 10.820 5.818 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.660 11.858 4.911 1.00 0.00 H new ATOM 155 N ILE A 11 -5.558 10.149 4.331 1.00 0.00 N ATOM 156 CA ILE A 11 -4.422 9.964 5.256 1.00 0.00 C ATOM 157 C ILE A 11 -3.345 11.056 5.045 1.00 0.00 C ATOM 158 O ILE A 11 -2.774 11.541 6.019 1.00 0.00 O ATOM 159 CB ILE A 11 -3.802 8.512 5.120 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.846 7.436 5.566 1.00 0.00 C ATOM 161 CG2 ILE A 11 -2.470 8.363 5.906 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.431 5.990 5.329 1.00 0.00 C ATOM 0 H ILE A 11 -5.694 9.366 3.692 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.802 10.067 6.272 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.561 8.353 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.049 7.569 6.629 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.781 7.620 5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.085 7.351 5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.741 9.078 5.525 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.648 8.556 6.964 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.222 5.323 5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.258 5.831 4.265 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.515 5.779 5.881 1.00 0.00 H new ATOM 174 N ILE A 12 -3.124 11.485 3.786 1.00 0.00 N ATOM 175 CA ILE A 12 -2.158 12.563 3.464 1.00 0.00 C ATOM 176 C ILE A 12 -2.668 13.905 4.028 1.00 0.00 C ATOM 177 O ILE A 12 -1.912 14.666 4.642 1.00 0.00 O ATOM 178 CB ILE A 12 -1.944 12.701 1.907 1.00 0.00 C ATOM 179 CG1 ILE A 12 -1.423 11.367 1.291 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.988 13.871 1.562 1.00 0.00 C ATOM 181 CD1 ILE A 12 -1.316 11.369 -0.226 1.00 0.00 C ATOM 0 H ILE A 12 -3.602 11.102 2.971 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.203 12.303 3.920 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.916 12.925 1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.441 11.147 1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.088 10.558 1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.866 13.934 0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.407 14.806 1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.018 13.697 2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.946 10.402 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.299 11.554 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.627 12.152 -0.541 1.00 0.00 H new ATOM 193 N ALA A 13 -3.967 14.156 3.795 1.00 0.00 N ATOM 194 CA ALA A 13 -4.685 15.341 4.296 1.00 0.00 C ATOM 195 C ALA A 13 -4.549 15.513 5.825 1.00 0.00 C ATOM 196 O ALA A 13 -4.323 16.624 6.307 1.00 0.00 O ATOM 197 CB ALA A 13 -6.167 15.250 3.895 1.00 0.00 C ATOM 0 H ALA A 13 -4.557 13.532 3.245 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.231 16.221 3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.699 16.126 4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.248 15.209 2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.606 14.350 4.326 1.00 0.00 H new ATOM 203 N GLU A 14 -4.688 14.402 6.565 1.00 0.00 N ATOM 204 CA GLU A 14 -4.639 14.406 8.043 1.00 0.00 C ATOM 205 C GLU A 14 -3.188 14.468 8.577 1.00 0.00 C ATOM 206 O GLU A 14 -2.900 15.239 9.498 1.00 0.00 O ATOM 207 CB GLU A 14 -5.365 13.153 8.604 1.00 0.00 C ATOM 208 CG GLU A 14 -6.822 12.986 8.119 1.00 0.00 C ATOM 209 CD GLU A 14 -7.719 14.214 8.371 1.00 0.00 C ATOM 210 OE1 GLU A 14 -8.202 14.389 9.515 1.00 0.00 O ATOM 211 OE2 GLU A 14 -7.971 14.990 7.424 1.00 0.00 O ATOM 0 H GLU A 14 -4.837 13.477 6.162 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.150 15.306 8.386 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.798 12.265 8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.361 13.204 9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.814 12.769 7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.261 12.121 8.617 1.00 0.00 H new ATOM 218 N THR A 15 -2.285 13.663 7.975 1.00 0.00 N ATOM 219 CA THR A 15 -0.907 13.445 8.497 1.00 0.00 C ATOM 220 C THR A 15 0.006 14.647 8.194 1.00 0.00 C ATOM 221 O THR A 15 0.756 15.104 9.062 1.00 0.00 O ATOM 222 CB THR A 15 -0.256 12.145 7.892 1.00 0.00 C ATOM 223 OG1 THR A 15 -1.108 11.015 8.141 1.00 0.00 O ATOM 224 CG2 THR A 15 1.146 11.852 8.474 1.00 0.00 C ATOM 0 H THR A 15 -2.484 13.146 7.118 1.00 0.00 H new ATOM 0 HA THR A 15 -1.001 13.327 9.577 1.00 0.00 H new ATOM 0 HB THR A 15 -0.142 12.317 6.822 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.832 11.000 7.481 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.546 10.945 8.021 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.811 12.688 8.259 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.071 11.716 9.553 1.00 0.00 H new ATOM 232 N CYS A 16 -0.090 15.172 6.964 1.00 0.00 N ATOM 233 CA CYS A 16 0.874 16.153 6.418 1.00 0.00 C ATOM 234 C CYS A 16 0.233 17.537 6.241 1.00 0.00 C ATOM 235 O CYS A 16 0.935 18.488 5.885 1.00 0.00 O ATOM 236 CB CYS A 16 1.409 15.640 5.059 1.00 0.00 C ATOM 237 SG CYS A 16 2.793 16.592 4.376 1.00 0.00 S ATOM 0 H CYS A 16 -0.838 14.931 6.314 1.00 0.00 H new ATOM 0 HA CYS A 16 1.695 16.259 7.127 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.723 14.603 5.177 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.592 15.646 4.338 1.00 0.00 H new ATOM 0 HG CYS A 16 2.645 17.848 4.675 1.00 0.00 H new ATOM 243 N ASP A 17 -1.093 17.636 6.524 1.00 0.00 N ATOM 244 CA ASP A 17 -1.908 18.841 6.259 1.00 0.00 C ATOM 245 C ASP A 17 -1.763 19.275 4.783 1.00 0.00 C ATOM 246 O ASP A 17 -1.103 20.266 4.465 1.00 0.00 O ATOM 247 CB ASP A 17 -1.571 19.989 7.267 1.00 0.00 C ATOM 248 CG ASP A 17 -2.478 21.231 7.115 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.639 21.187 7.572 1.00 0.00 O ATOM 250 OD2 ASP A 17 -2.045 22.236 6.517 1.00 0.00 O ATOM 0 H ASP A 17 -1.625 16.874 6.945 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.958 18.597 6.420 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.660 19.606 8.284 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.532 20.289 7.129 1.00 0.00 H new ATOM 255 N ILE A 18 -2.279 18.430 3.878 1.00 0.00 N ATOM 256 CA ILE A 18 -2.284 18.690 2.421 1.00 0.00 C ATOM 257 C ILE A 18 -3.743 18.684 1.917 1.00 0.00 C ATOM 258 O ILE A 18 -4.444 17.694 2.150 1.00 0.00 O ATOM 259 CB ILE A 18 -1.421 17.613 1.643 1.00 0.00 C ATOM 260 CG1 ILE A 18 0.045 17.588 2.184 1.00 0.00 C ATOM 261 CG2 ILE A 18 -1.445 17.842 0.104 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.837 18.880 2.016 1.00 0.00 C ATOM 0 H ILE A 18 -2.708 17.540 4.133 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.834 19.664 2.232 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.875 16.639 1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.017 17.337 3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.584 16.786 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.840 17.080 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.471 17.779 -0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.041 18.828 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.838 18.749 2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.908 19.128 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.332 19.688 2.545 1.00 0.00 H new ATOM 274 N PRO A 19 -4.228 19.792 1.244 1.00 0.00 N ATOM 275 CA PRO A 19 -5.629 19.895 0.757 1.00 0.00 C ATOM 276 C PRO A 19 -6.032 18.703 -0.141 1.00 0.00 C ATOM 277 O PRO A 19 -5.366 18.427 -1.135 1.00 0.00 O ATOM 278 CB PRO A 19 -5.645 21.238 -0.029 1.00 0.00 C ATOM 279 CG PRO A 19 -4.526 22.034 0.563 1.00 0.00 C ATOM 280 CD PRO A 19 -3.453 21.023 0.900 1.00 0.00 C ATOM 0 HA PRO A 19 -6.351 19.871 1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.494 21.075 -1.096 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.600 21.752 0.083 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.157 22.779 -0.142 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.853 22.572 1.453 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.783 20.853 0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.837 21.355 1.735 1.00 0.00 H new ATOM 288 N ARG A 20 -7.113 17.994 0.253 1.00 0.00 N ATOM 289 CA ARG A 20 -7.659 16.832 -0.487 1.00 0.00 C ATOM 290 C ARG A 20 -7.996 17.201 -1.952 1.00 0.00 C ATOM 291 O ARG A 20 -7.861 16.366 -2.856 1.00 0.00 O ATOM 292 CB ARG A 20 -8.912 16.269 0.257 1.00 0.00 C ATOM 293 CG ARG A 20 -9.601 15.065 -0.427 1.00 0.00 C ATOM 294 CD ARG A 20 -8.673 13.850 -0.587 1.00 0.00 C ATOM 295 NE ARG A 20 -9.288 12.794 -1.415 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.108 12.626 -2.746 1.00 0.00 C ATOM 297 NH1 ARG A 20 -8.335 13.460 -3.446 1.00 0.00 N ATOM 298 NH2 ARG A 20 -9.704 11.620 -3.365 1.00 0.00 N ATOM 0 H ARG A 20 -7.636 18.213 1.101 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.895 16.055 -0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.614 15.973 1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.642 17.072 0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.474 14.774 0.157 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.962 15.371 -1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.734 14.167 -1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.431 13.446 0.396 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.903 12.132 -0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.870 14.238 -2.978 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.210 13.319 -4.448 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.295 10.976 -2.839 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.572 11.488 -4.368 1.00 0.00 H new ATOM 312 N GLU A 21 -8.381 18.471 -2.169 1.00 0.00 N ATOM 313 CA GLU A 21 -8.741 19.010 -3.493 1.00 0.00 C ATOM 314 C GLU A 21 -7.519 19.048 -4.444 1.00 0.00 C ATOM 315 O GLU A 21 -7.666 18.893 -5.659 1.00 0.00 O ATOM 316 CB GLU A 21 -9.323 20.436 -3.318 1.00 0.00 C ATOM 317 CG GLU A 21 -8.369 21.427 -2.620 1.00 0.00 C ATOM 318 CD GLU A 21 -8.970 22.822 -2.451 1.00 0.00 C ATOM 319 OE1 GLU A 21 -8.869 23.640 -3.388 1.00 0.00 O ATOM 320 OE2 GLU A 21 -9.565 23.104 -1.390 1.00 0.00 O ATOM 0 H GLU A 21 -8.452 19.161 -1.421 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.486 18.354 -3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.586 20.832 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.246 20.371 -2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.100 21.033 -1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.448 21.503 -3.197 1.00 0.00 H new ATOM 327 N THR A 22 -6.315 19.276 -3.870 1.00 0.00 N ATOM 328 CA THR A 22 -5.055 19.371 -4.637 1.00 0.00 C ATOM 329 C THR A 22 -4.374 17.997 -4.787 1.00 0.00 C ATOM 330 O THR A 22 -3.281 17.902 -5.361 1.00 0.00 O ATOM 331 CB THR A 22 -4.060 20.394 -3.980 1.00 0.00 C ATOM 332 OG1 THR A 22 -3.700 19.973 -2.656 1.00 0.00 O ATOM 333 CG2 THR A 22 -4.661 21.805 -3.912 1.00 0.00 C ATOM 0 H THR A 22 -6.192 19.399 -2.865 1.00 0.00 H new ATOM 0 HA THR A 22 -5.319 19.732 -5.631 1.00 0.00 H new ATOM 0 HB THR A 22 -3.171 20.423 -4.610 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.379 19.355 -2.314 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.944 22.484 -3.452 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.893 22.151 -4.919 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.574 21.783 -3.317 1.00 0.00 H new ATOM 341 N ILE A 23 -5.024 16.930 -4.286 1.00 0.00 N ATOM 342 CA ILE A 23 -4.504 15.556 -4.347 1.00 0.00 C ATOM 343 C ILE A 23 -5.245 14.781 -5.465 1.00 0.00 C ATOM 344 O ILE A 23 -6.414 14.416 -5.298 1.00 0.00 O ATOM 345 CB ILE A 23 -4.695 14.835 -2.948 1.00 0.00 C ATOM 346 CG1 ILE A 23 -3.939 15.602 -1.817 1.00 0.00 C ATOM 347 CG2 ILE A 23 -4.244 13.362 -3.004 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.151 15.049 -0.412 1.00 0.00 C ATOM 0 H ILE A 23 -5.931 17.000 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.438 15.579 -4.573 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.760 14.846 -2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.872 15.588 -2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.254 16.645 -1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.389 12.900 -2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.834 12.829 -3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.189 13.314 -3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.586 15.647 0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.211 15.089 -0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.807 14.015 -0.372 1.00 0.00 H new ATOM 360 N THR A 24 -4.576 14.588 -6.618 1.00 0.00 N ATOM 361 CA THR A 24 -5.094 13.771 -7.742 1.00 0.00 C ATOM 362 C THR A 24 -4.445 12.370 -7.679 1.00 0.00 C ATOM 363 O THR A 24 -3.358 12.238 -7.100 1.00 0.00 O ATOM 364 CB THR A 24 -4.788 14.442 -9.140 1.00 0.00 C ATOM 365 OG1 THR A 24 -3.379 14.448 -9.423 1.00 0.00 O ATOM 366 CG2 THR A 24 -5.317 15.885 -9.209 1.00 0.00 C ATOM 0 H THR A 24 -3.658 14.994 -6.801 1.00 0.00 H new ATOM 0 HA THR A 24 -6.177 13.694 -7.646 1.00 0.00 H new ATOM 0 HB THR A 24 -5.304 13.840 -9.888 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.880 14.623 -8.598 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.087 16.311 -10.186 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.397 15.884 -9.059 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.843 16.484 -8.431 1.00 0.00 H new ATOM 374 N PRO A 25 -5.065 11.302 -8.286 1.00 0.00 N ATOM 375 CA PRO A 25 -4.455 9.943 -8.333 1.00 0.00 C ATOM 376 C PRO A 25 -3.128 9.928 -9.117 1.00 0.00 C ATOM 377 O PRO A 25 -2.264 9.079 -8.896 1.00 0.00 O ATOM 378 CB PRO A 25 -5.550 9.083 -9.025 1.00 0.00 C ATOM 379 CG PRO A 25 -6.369 10.073 -9.801 1.00 0.00 C ATOM 380 CD PRO A 25 -6.398 11.316 -8.952 1.00 0.00 C ATOM 0 HA PRO A 25 -4.184 9.569 -7.345 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.110 8.332 -9.680 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.158 8.551 -8.294 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.925 10.273 -10.776 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.376 9.696 -9.981 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.538 12.213 -9.555 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.211 11.290 -8.227 1.00 0.00 H new ATOM 388 N GLU A 26 -2.956 10.935 -9.984 1.00 0.00 N ATOM 389 CA GLU A 26 -1.809 11.053 -10.888 1.00 0.00 C ATOM 390 C GLU A 26 -0.789 12.072 -10.327 1.00 0.00 C ATOM 391 O GLU A 26 0.082 12.564 -11.053 1.00 0.00 O ATOM 392 CB GLU A 26 -2.340 11.465 -12.284 1.00 0.00 C ATOM 393 CG GLU A 26 -3.384 10.483 -12.865 1.00 0.00 C ATOM 394 CD GLU A 26 -4.026 10.981 -14.167 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.842 11.925 -14.110 1.00 0.00 O ATOM 396 OE2 GLU A 26 -3.714 10.445 -15.249 1.00 0.00 O ATOM 0 H GLU A 26 -3.622 11.702 -10.077 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.284 10.102 -10.977 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.786 12.457 -12.215 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.500 11.540 -12.975 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.905 9.521 -13.049 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.165 10.314 -12.124 1.00 0.00 H new ATOM 403 N SER A 27 -0.910 12.380 -9.017 1.00 0.00 N ATOM 404 CA SER A 27 0.068 13.202 -8.289 1.00 0.00 C ATOM 405 C SER A 27 1.220 12.322 -7.799 1.00 0.00 C ATOM 406 O SER A 27 0.999 11.187 -7.375 1.00 0.00 O ATOM 407 CB SER A 27 -0.582 13.907 -7.071 1.00 0.00 C ATOM 408 OG SER A 27 -1.525 14.887 -7.463 1.00 0.00 O ATOM 0 H SER A 27 -1.689 12.064 -8.440 1.00 0.00 H new ATOM 0 HA SER A 27 0.440 13.964 -8.974 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.072 13.164 -6.442 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.195 14.374 -6.466 1.00 0.00 H new ATOM 0 HG SER A 27 -1.059 15.723 -7.675 1.00 0.00 H new ATOM 414 N HIS A 28 2.439 12.858 -7.871 1.00 0.00 N ATOM 415 CA HIS A 28 3.609 12.278 -7.227 1.00 0.00 C ATOM 416 C HIS A 28 3.618 12.785 -5.778 1.00 0.00 C ATOM 417 O HIS A 28 3.703 14.004 -5.558 1.00 0.00 O ATOM 418 CB HIS A 28 4.894 12.708 -7.969 1.00 0.00 C ATOM 419 CG HIS A 28 6.121 11.922 -7.571 1.00 0.00 C ATOM 420 ND1 HIS A 28 6.821 12.197 -6.424 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.737 10.919 -8.225 1.00 0.00 C ATOM 422 CE1 HIS A 28 7.843 11.365 -6.412 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.836 10.567 -7.484 1.00 0.00 N ATOM 0 H HIS A 28 2.640 13.716 -8.385 1.00 0.00 H new ATOM 0 HA HIS A 28 3.572 11.189 -7.250 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.736 12.599 -9.042 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.075 13.766 -7.780 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.424 10.475 -9.158 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.592 11.332 -5.634 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.515 9.839 -7.707 1.00 0.00 H new ATOM 431 N ALA A 29 3.476 11.868 -4.806 1.00 0.00 N ATOM 432 CA ALA A 29 3.402 12.182 -3.361 1.00 0.00 C ATOM 433 C ALA A 29 4.494 13.153 -2.863 1.00 0.00 C ATOM 434 O ALA A 29 4.250 13.941 -1.954 1.00 0.00 O ATOM 435 CB ALA A 29 3.464 10.877 -2.563 1.00 0.00 C ATOM 0 H ALA A 29 3.408 10.869 -5.001 1.00 0.00 H new ATOM 0 HA ALA A 29 2.455 12.699 -3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.410 11.099 -1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.626 10.239 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.400 10.362 -2.779 1.00 0.00 H new ATOM 441 N ILE A 30 5.682 13.100 -3.482 1.00 0.00 N ATOM 442 CA ILE A 30 6.837 13.908 -3.057 1.00 0.00 C ATOM 443 C ILE A 30 6.998 15.143 -3.973 1.00 0.00 C ATOM 444 O ILE A 30 6.972 16.289 -3.503 1.00 0.00 O ATOM 445 CB ILE A 30 8.160 13.038 -3.029 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.021 11.882 -1.987 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.429 13.891 -2.745 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.267 11.027 -1.812 1.00 0.00 C ATOM 0 H ILE A 30 5.870 12.501 -4.286 1.00 0.00 H new ATOM 0 HA ILE A 30 6.655 14.260 -2.042 1.00 0.00 H new ATOM 0 HB ILE A 30 8.290 12.610 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.754 12.312 -1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.195 11.238 -2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.307 13.245 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.541 14.646 -3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.329 14.380 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.075 10.252 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.526 10.562 -2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.094 11.653 -1.477 1.00 0.00 H new ATOM 460 N ASP A 31 7.086 14.890 -5.289 1.00 0.00 N ATOM 461 CA ASP A 31 7.517 15.890 -6.297 1.00 0.00 C ATOM 462 C ASP A 31 6.369 16.840 -6.704 1.00 0.00 C ATOM 463 O ASP A 31 6.603 18.021 -6.987 1.00 0.00 O ATOM 464 CB ASP A 31 8.096 15.156 -7.540 1.00 0.00 C ATOM 465 CG ASP A 31 8.689 16.099 -8.606 1.00 0.00 C ATOM 466 OD1 ASP A 31 9.838 16.560 -8.437 1.00 0.00 O ATOM 467 OD2 ASP A 31 8.022 16.382 -9.624 1.00 0.00 O ATOM 0 H ASP A 31 6.860 13.981 -5.693 1.00 0.00 H new ATOM 0 HA ASP A 31 8.292 16.512 -5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.871 14.463 -7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.307 14.559 -7.997 1.00 0.00 H new ATOM 472 N ASP A 32 5.133 16.325 -6.716 1.00 0.00 N ATOM 473 CA ASP A 32 3.949 17.094 -7.161 1.00 0.00 C ATOM 474 C ASP A 32 3.262 17.771 -5.963 1.00 0.00 C ATOM 475 O ASP A 32 2.996 18.976 -5.993 1.00 0.00 O ATOM 476 CB ASP A 32 2.956 16.168 -7.911 1.00 0.00 C ATOM 477 CG ASP A 32 1.751 16.915 -8.517 1.00 0.00 C ATOM 478 OD1 ASP A 32 1.886 17.474 -9.625 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.670 16.947 -7.890 1.00 0.00 O ATOM 0 H ASP A 32 4.919 15.372 -6.421 1.00 0.00 H new ATOM 0 HA ASP A 32 4.280 17.873 -7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.488 15.648 -8.708 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.591 15.407 -7.222 1.00 0.00 H new ATOM 484 N LEU A 33 2.989 16.986 -4.897 1.00 0.00 N ATOM 485 CA LEU A 33 2.250 17.481 -3.706 1.00 0.00 C ATOM 486 C LEU A 33 3.101 18.417 -2.820 1.00 0.00 C ATOM 487 O LEU A 33 2.560 19.088 -1.927 1.00 0.00 O ATOM 488 CB LEU A 33 1.729 16.290 -2.860 1.00 0.00 C ATOM 489 CG LEU A 33 0.687 15.349 -3.538 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.251 14.233 -2.566 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.523 16.142 -4.082 1.00 0.00 C ATOM 0 H LEU A 33 3.268 16.007 -4.834 1.00 0.00 H new ATOM 0 HA LEU A 33 1.410 18.065 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.586 15.687 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.284 16.690 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 33 1.165 14.876 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.476 13.586 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.121 13.645 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.200 14.678 -1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.229 15.454 -4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.014 16.665 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.181 16.866 -4.821 1.00 0.00 H new ATOM 503 N GLY A 34 4.420 18.467 -3.087 1.00 0.00 N ATOM 504 CA GLY A 34 5.350 19.309 -2.321 1.00 0.00 C ATOM 505 C GLY A 34 5.594 18.795 -0.913 1.00 0.00 C ATOM 506 O GLY A 34 5.719 19.579 0.035 1.00 0.00 O ATOM 0 H GLY A 34 4.864 17.930 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.301 19.366 -2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.954 20.323 -2.268 1.00 0.00 H new ATOM 510 N ILE A 35 5.639 17.467 -0.781 1.00 0.00 N ATOM 511 CA ILE A 35 5.918 16.787 0.491 1.00 0.00 C ATOM 512 C ILE A 35 7.327 16.201 0.414 1.00 0.00 C ATOM 513 O ILE A 35 7.639 15.512 -0.548 1.00 0.00 O ATOM 514 CB ILE A 35 4.887 15.626 0.739 1.00 0.00 C ATOM 515 CG1 ILE A 35 3.422 16.155 0.633 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.137 14.933 2.104 1.00 0.00 C ATOM 517 CD1 ILE A 35 2.351 15.075 0.636 1.00 0.00 C ATOM 0 H ILE A 35 5.482 16.826 -1.559 1.00 0.00 H new ATOM 0 HA ILE A 35 5.835 17.500 1.311 1.00 0.00 H new ATOM 0 HB ILE A 35 5.031 14.876 -0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.235 16.834 1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.327 16.738 -0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.408 14.135 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.143 14.513 2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.036 15.663 2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.367 15.538 0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.505 14.407 -0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.412 14.505 1.563 1.00 0.00 H new ATOM 529 N ASP A 36 8.183 16.480 1.399 1.00 0.00 N ATOM 530 CA ASP A 36 9.533 15.892 1.442 1.00 0.00 C ATOM 531 C ASP A 36 9.432 14.405 1.847 1.00 0.00 C ATOM 532 O ASP A 36 8.465 14.004 2.498 1.00 0.00 O ATOM 533 CB ASP A 36 10.435 16.693 2.414 1.00 0.00 C ATOM 534 CG ASP A 36 11.881 16.164 2.481 1.00 0.00 C ATOM 535 OD1 ASP A 36 12.690 16.497 1.595 1.00 0.00 O ATOM 536 OD2 ASP A 36 12.210 15.397 3.402 1.00 0.00 O ATOM 0 H ASP A 36 7.972 17.106 2.176 1.00 0.00 H new ATOM 0 HA ASP A 36 9.992 15.945 0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.452 17.738 2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.998 16.663 3.412 1.00 0.00 H new ATOM 541 N SER A 37 10.442 13.618 1.456 1.00 0.00 N ATOM 542 CA SER A 37 10.503 12.163 1.695 1.00 0.00 C ATOM 543 C SER A 37 10.385 11.802 3.187 1.00 0.00 C ATOM 544 O SER A 37 9.740 10.813 3.538 1.00 0.00 O ATOM 545 CB SER A 37 11.840 11.648 1.169 1.00 0.00 C ATOM 546 OG SER A 37 12.907 12.351 1.818 1.00 0.00 O ATOM 0 H SER A 37 11.256 13.976 0.956 1.00 0.00 H new ATOM 0 HA SER A 37 9.660 11.702 1.180 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.929 10.578 1.354 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.899 11.791 0.090 1.00 0.00 H new ATOM 551 N LEU A 38 11.034 12.617 4.042 1.00 0.00 N ATOM 552 CA LEU A 38 11.033 12.422 5.507 1.00 0.00 C ATOM 553 C LEU A 38 9.613 12.583 6.067 1.00 0.00 C ATOM 554 O LEU A 38 9.217 11.868 6.984 1.00 0.00 O ATOM 555 CB LEU A 38 12.015 13.398 6.212 1.00 0.00 C ATOM 556 CG LEU A 38 13.499 13.336 5.731 1.00 0.00 C ATOM 557 CD1 LEU A 38 14.379 14.316 6.526 1.00 0.00 C ATOM 558 CD2 LEU A 38 14.055 11.893 5.771 1.00 0.00 C ATOM 0 H LEU A 38 11.573 13.428 3.738 1.00 0.00 H new ATOM 0 HA LEU A 38 11.376 11.407 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.650 14.415 6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.991 13.196 7.283 1.00 0.00 H new ATOM 0 HG LEU A 38 13.522 13.650 4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.407 14.252 6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.009 15.332 6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.345 14.059 7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.090 11.892 5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.010 11.514 6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.457 11.255 5.120 1.00 0.00 H new ATOM 570 N ASP A 39 8.845 13.512 5.476 1.00 0.00 N ATOM 571 CA ASP A 39 7.428 13.730 5.824 1.00 0.00 C ATOM 572 C ASP A 39 6.564 12.613 5.226 1.00 0.00 C ATOM 573 O ASP A 39 5.564 12.210 5.816 1.00 0.00 O ATOM 574 CB ASP A 39 6.961 15.121 5.331 1.00 0.00 C ATOM 575 CG ASP A 39 7.793 16.253 5.942 1.00 0.00 C ATOM 576 OD1 ASP A 39 7.544 16.626 7.107 1.00 0.00 O ATOM 577 OD2 ASP A 39 8.729 16.749 5.281 1.00 0.00 O ATOM 0 H ASP A 39 9.187 14.134 4.743 1.00 0.00 H new ATOM 0 HA ASP A 39 7.318 13.704 6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.033 15.164 4.244 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.911 15.263 5.587 1.00 0.00 H new ATOM 582 N PHE A 40 6.983 12.087 4.063 1.00 0.00 N ATOM 583 CA PHE A 40 6.302 10.962 3.412 1.00 0.00 C ATOM 584 C PHE A 40 6.521 9.652 4.213 1.00 0.00 C ATOM 585 O PHE A 40 5.737 8.719 4.085 1.00 0.00 O ATOM 586 CB PHE A 40 6.761 10.810 1.931 1.00 0.00 C ATOM 587 CG PHE A 40 6.048 9.672 1.192 1.00 0.00 C ATOM 588 CD1 PHE A 40 4.687 9.758 0.901 1.00 0.00 C ATOM 589 CD2 PHE A 40 6.728 8.508 0.826 1.00 0.00 C ATOM 590 CE1 PHE A 40 4.028 8.716 0.277 1.00 0.00 C ATOM 591 CE2 PHE A 40 6.068 7.471 0.195 1.00 0.00 C ATOM 592 CZ PHE A 40 4.720 7.576 -0.081 1.00 0.00 C ATOM 0 H PHE A 40 7.798 12.429 3.553 1.00 0.00 H new ATOM 0 HA PHE A 40 5.232 11.171 3.401 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.580 11.747 1.403 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.836 10.633 1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.141 10.651 1.167 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.783 8.417 1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.971 8.793 0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.608 6.578 -0.082 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.206 6.766 -0.577 1.00 0.00 H new ATOM 602 N LEU A 41 7.582 9.600 5.052 1.00 0.00 N ATOM 603 CA LEU A 41 7.816 8.466 5.981 1.00 0.00 C ATOM 604 C LEU A 41 6.669 8.380 7.011 1.00 0.00 C ATOM 605 O LEU A 41 6.198 7.285 7.336 1.00 0.00 O ATOM 606 CB LEU A 41 9.177 8.615 6.711 1.00 0.00 C ATOM 607 CG LEU A 41 10.455 8.601 5.820 1.00 0.00 C ATOM 608 CD1 LEU A 41 11.733 8.739 6.676 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.505 7.347 4.921 1.00 0.00 C ATOM 0 H LEU A 41 8.291 10.331 5.106 1.00 0.00 H new ATOM 0 HA LEU A 41 7.843 7.547 5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.162 9.551 7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.262 7.809 7.440 1.00 0.00 H new ATOM 0 HG LEU A 41 10.407 9.467 5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.609 8.726 6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.703 9.680 7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.791 7.909 7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.410 7.371 4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.510 6.453 5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.631 7.331 4.270 1.00 0.00 H new ATOM 621 N ASP A 42 6.227 9.566 7.496 1.00 0.00 N ATOM 622 CA ASP A 42 5.049 9.704 8.383 1.00 0.00 C ATOM 623 C ASP A 42 3.788 9.214 7.655 1.00 0.00 C ATOM 624 O ASP A 42 3.002 8.449 8.212 1.00 0.00 O ATOM 625 CB ASP A 42 4.851 11.183 8.826 1.00 0.00 C ATOM 626 CG ASP A 42 6.016 11.737 9.661 1.00 0.00 C ATOM 627 OD1 ASP A 42 7.071 12.073 9.082 1.00 0.00 O ATOM 628 OD2 ASP A 42 5.887 11.827 10.907 1.00 0.00 O ATOM 0 H ASP A 42 6.679 10.455 7.282 1.00 0.00 H new ATOM 0 HA ASP A 42 5.221 9.097 9.272 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.722 11.805 7.940 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.931 11.260 9.406 1.00 0.00 H new ATOM 633 N ILE A 43 3.634 9.651 6.391 1.00 0.00 N ATOM 634 CA ILE A 43 2.465 9.316 5.558 1.00 0.00 C ATOM 635 C ILE A 43 2.399 7.804 5.259 1.00 0.00 C ATOM 636 O ILE A 43 1.335 7.200 5.401 1.00 0.00 O ATOM 637 CB ILE A 43 2.467 10.120 4.208 1.00 0.00 C ATOM 638 CG1 ILE A 43 2.430 11.654 4.480 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.297 9.689 3.280 1.00 0.00 C ATOM 640 CD1 ILE A 43 2.488 12.515 3.232 1.00 0.00 C ATOM 0 H ILE A 43 4.316 10.245 5.920 1.00 0.00 H new ATOM 0 HA ILE A 43 1.582 9.599 6.131 1.00 0.00 H new ATOM 0 HB ILE A 43 3.395 9.887 3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.518 11.891 5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.268 11.916 5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.333 10.268 2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.389 8.628 3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.348 9.869 3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.457 13.567 3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.413 12.311 2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.636 12.286 2.592 1.00 0.00 H new ATOM 652 N ALA A 44 3.552 7.191 4.918 1.00 0.00 N ATOM 653 CA ALA A 44 3.606 5.803 4.422 1.00 0.00 C ATOM 654 C ALA A 44 3.290 4.830 5.562 1.00 0.00 C ATOM 655 O ALA A 44 2.517 3.904 5.390 1.00 0.00 O ATOM 656 CB ALA A 44 4.987 5.497 3.810 1.00 0.00 C ATOM 0 H ALA A 44 4.465 7.642 4.979 1.00 0.00 H new ATOM 0 HA ALA A 44 2.858 5.680 3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.006 4.468 3.450 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.175 6.176 2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.759 5.630 4.568 1.00 0.00 H new ATOM 662 N PHE A 45 3.862 5.119 6.749 1.00 0.00 N ATOM 663 CA PHE A 45 3.674 4.302 7.968 1.00 0.00 C ATOM 664 C PHE A 45 2.263 4.492 8.542 1.00 0.00 C ATOM 665 O PHE A 45 1.738 3.604 9.215 1.00 0.00 O ATOM 666 CB PHE A 45 4.770 4.644 9.023 1.00 0.00 C ATOM 667 CG PHE A 45 6.137 4.001 8.732 1.00 0.00 C ATOM 668 CD1 PHE A 45 6.717 4.081 7.463 1.00 0.00 C ATOM 669 CD2 PHE A 45 6.820 3.290 9.719 1.00 0.00 C ATOM 670 CE1 PHE A 45 7.930 3.478 7.196 1.00 0.00 C ATOM 671 CE2 PHE A 45 8.034 2.679 9.449 1.00 0.00 C ATOM 672 CZ PHE A 45 8.588 2.772 8.188 1.00 0.00 C ATOM 0 H PHE A 45 4.469 5.927 6.891 1.00 0.00 H new ATOM 0 HA PHE A 45 3.779 3.250 7.702 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.891 5.726 9.069 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.428 4.319 10.006 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.209 4.623 6.679 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.396 3.215 10.709 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.366 3.557 6.211 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.547 2.130 10.225 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.533 2.295 7.976 1.00 0.00 H new ATOM 682 N ALA A 46 1.649 5.651 8.254 1.00 0.00 N ATOM 683 CA ALA A 46 0.246 5.917 8.614 1.00 0.00 C ATOM 684 C ALA A 46 -0.694 5.045 7.757 1.00 0.00 C ATOM 685 O ALA A 46 -1.682 4.506 8.258 1.00 0.00 O ATOM 686 CB ALA A 46 -0.087 7.408 8.448 1.00 0.00 C ATOM 0 H ALA A 46 2.106 6.424 7.770 1.00 0.00 H new ATOM 0 HA ALA A 46 0.100 5.658 9.663 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.128 7.581 8.720 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.560 8.000 9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.071 7.703 7.411 1.00 0.00 H new ATOM 692 N ILE A 47 -0.342 4.912 6.470 1.00 0.00 N ATOM 693 CA ILE A 47 -1.055 4.047 5.508 1.00 0.00 C ATOM 694 C ILE A 47 -0.918 2.560 5.913 1.00 0.00 C ATOM 695 O ILE A 47 -1.906 1.829 5.936 1.00 0.00 O ATOM 696 CB ILE A 47 -0.491 4.271 4.050 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.771 5.726 3.557 1.00 0.00 C ATOM 698 CG2 ILE A 47 -1.042 3.239 3.047 1.00 0.00 C ATOM 699 CD1 ILE A 47 -0.066 6.114 2.261 1.00 0.00 C ATOM 0 H ILE A 47 0.452 5.404 6.060 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.112 4.313 5.520 1.00 0.00 H new ATOM 0 HB ILE A 47 0.588 4.126 4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.845 5.846 3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.470 6.423 4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.626 3.434 2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.762 2.235 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.128 3.317 3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.322 7.141 2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.013 6.032 2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.384 5.447 1.460 1.00 0.00 H new ATOM 711 N ASP A 48 0.317 2.156 6.251 1.00 0.00 N ATOM 712 CA ASP A 48 0.662 0.771 6.643 1.00 0.00 C ATOM 713 C ASP A 48 -0.214 0.272 7.799 1.00 0.00 C ATOM 714 O ASP A 48 -0.869 -0.772 7.695 1.00 0.00 O ATOM 715 CB ASP A 48 2.161 0.688 7.056 1.00 0.00 C ATOM 716 CG ASP A 48 3.158 0.969 5.923 1.00 0.00 C ATOM 717 OD1 ASP A 48 2.756 1.010 4.748 1.00 0.00 O ATOM 718 OD2 ASP A 48 4.363 1.117 6.208 1.00 0.00 O ATOM 0 H ASP A 48 1.118 2.787 6.261 1.00 0.00 H new ATOM 0 HA ASP A 48 0.480 0.132 5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.341 1.398 7.863 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.358 -0.306 7.456 1.00 0.00 H new ATOM 723 N LYS A 49 -0.229 1.065 8.879 1.00 0.00 N ATOM 724 CA LYS A 49 -0.976 0.758 10.111 1.00 0.00 C ATOM 725 C LYS A 49 -2.499 0.786 9.861 1.00 0.00 C ATOM 726 O LYS A 49 -3.244 -0.005 10.456 1.00 0.00 O ATOM 727 CB LYS A 49 -0.554 1.757 11.222 1.00 0.00 C ATOM 728 CG LYS A 49 0.946 1.674 11.613 1.00 0.00 C ATOM 729 CD LYS A 49 1.414 2.769 12.616 1.00 0.00 C ATOM 730 CE LYS A 49 0.905 2.570 14.067 1.00 0.00 C ATOM 731 NZ LYS A 49 -0.558 2.788 14.217 1.00 0.00 N ATOM 0 H LYS A 49 0.282 1.947 8.924 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.735 -0.253 10.439 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.776 2.770 10.888 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.160 1.574 12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.141 0.694 12.048 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.549 1.747 10.708 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.504 2.793 12.626 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.078 3.741 12.256 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.149 1.559 14.394 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.436 3.256 14.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.743 3.311 15.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.912 3.337 13.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.044 1.869 14.252 1.00 0.00 H new ATOM 745 N ALA A 50 -2.944 1.694 8.965 1.00 0.00 N ATOM 746 CA ALA A 50 -4.362 1.800 8.548 1.00 0.00 C ATOM 747 C ALA A 50 -4.841 0.530 7.813 1.00 0.00 C ATOM 748 O ALA A 50 -5.944 0.037 8.060 1.00 0.00 O ATOM 749 CB ALA A 50 -4.563 3.043 7.660 1.00 0.00 C ATOM 0 H ALA A 50 -2.333 2.373 8.511 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.966 1.902 9.450 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.609 3.110 7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.287 3.938 8.219 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.935 2.962 6.773 1.00 0.00 H new ATOM 755 N PHE A 51 -4.003 0.025 6.895 1.00 0.00 N ATOM 756 CA PHE A 51 -4.322 -1.151 6.045 1.00 0.00 C ATOM 757 C PHE A 51 -3.835 -2.481 6.662 1.00 0.00 C ATOM 758 O PHE A 51 -4.025 -3.544 6.054 1.00 0.00 O ATOM 759 CB PHE A 51 -3.722 -0.953 4.624 1.00 0.00 C ATOM 760 CG PHE A 51 -4.466 0.074 3.769 1.00 0.00 C ATOM 761 CD1 PHE A 51 -4.163 1.431 3.838 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.471 -0.327 2.891 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.832 2.352 3.058 1.00 0.00 C ATOM 764 CE2 PHE A 51 -6.139 0.593 2.111 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.819 1.931 2.196 1.00 0.00 C ATOM 0 H PHE A 51 -3.079 0.417 6.714 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.408 -1.220 5.977 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.681 -0.644 4.721 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.723 -1.911 4.104 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.391 1.769 4.514 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.730 -1.373 2.820 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.582 3.401 3.124 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.913 0.265 1.433 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.344 2.650 1.585 1.00 0.00 H new ATOM 775 N GLY A 52 -3.206 -2.415 7.855 1.00 0.00 N ATOM 776 CA GLY A 52 -2.743 -3.615 8.577 1.00 0.00 C ATOM 777 C GLY A 52 -1.624 -4.377 7.863 1.00 0.00 C ATOM 778 O GLY A 52 -1.442 -5.582 8.081 1.00 0.00 O ATOM 0 H GLY A 52 -3.008 -1.539 8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.394 -3.319 9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.589 -4.286 8.725 1.00 0.00 H new ATOM 782 N ILE A 53 -0.886 -3.662 7.000 1.00 0.00 N ATOM 783 CA ILE A 53 0.220 -4.208 6.198 1.00 0.00 C ATOM 784 C ILE A 53 1.479 -3.344 6.409 1.00 0.00 C ATOM 785 O ILE A 53 1.555 -2.569 7.369 1.00 0.00 O ATOM 786 CB ILE A 53 -0.140 -4.245 4.654 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.450 -2.807 4.103 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.309 -5.223 4.372 1.00 0.00 C ATOM 789 CD1 ILE A 53 -0.386 -2.684 2.592 1.00 0.00 C ATOM 0 H ILE A 53 -1.045 -2.668 6.837 1.00 0.00 H new ATOM 0 HA ILE A 53 0.402 -5.231 6.526 1.00 0.00 H new ATOM 0 HB ILE A 53 0.735 -4.617 4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.444 -2.510 4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.257 -2.103 4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.532 -5.226 3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.027 -6.228 4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.192 -4.904 4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.613 -1.659 2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.615 -2.946 2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.113 -3.359 2.141 1.00 0.00 H new ATOM 801 N LYS A 54 2.478 -3.523 5.531 1.00 0.00 N ATOM 802 CA LYS A 54 3.608 -2.600 5.399 1.00 0.00 C ATOM 803 C LYS A 54 3.875 -2.352 3.901 1.00 0.00 C ATOM 804 O LYS A 54 3.581 -3.206 3.062 1.00 0.00 O ATOM 805 CB LYS A 54 4.886 -3.162 6.089 1.00 0.00 C ATOM 806 CG LYS A 54 6.051 -2.145 6.132 1.00 0.00 C ATOM 807 CD LYS A 54 7.414 -2.778 6.460 1.00 0.00 C ATOM 808 CE LYS A 54 8.554 -1.746 6.402 1.00 0.00 C ATOM 809 NZ LYS A 54 9.856 -2.352 6.742 1.00 0.00 N ATOM 0 H LYS A 54 2.522 -4.316 4.891 1.00 0.00 H new ATOM 0 HA LYS A 54 3.357 -1.662 5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.639 -3.465 7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.213 -4.057 5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.117 -1.641 5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.827 -1.381 6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.378 -3.224 7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.618 -3.585 5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.603 -1.314 5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.341 -0.929 7.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.611 -1.873 6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.031 -2.249 7.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.845 -3.362 6.493 1.00 0.00 H new ATOM 823 N LEU A 55 4.372 -1.157 3.570 1.00 0.00 N ATOM 824 CA LEU A 55 5.012 -0.884 2.282 1.00 0.00 C ATOM 825 C LEU A 55 6.530 -1.050 2.457 1.00 0.00 C ATOM 826 O LEU A 55 7.084 -0.506 3.423 1.00 0.00 O ATOM 827 CB LEU A 55 4.656 0.543 1.790 1.00 0.00 C ATOM 828 CG LEU A 55 3.142 0.781 1.502 1.00 0.00 C ATOM 829 CD1 LEU A 55 2.869 2.246 1.082 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.606 -0.242 0.467 1.00 0.00 C ATOM 0 H LEU A 55 4.341 -0.349 4.191 1.00 0.00 H new ATOM 0 HA LEU A 55 4.654 -1.583 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.986 1.262 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.220 0.749 0.881 1.00 0.00 H new ATOM 0 HG LEU A 55 2.591 0.617 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.804 2.377 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.178 2.918 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.433 2.476 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.548 -0.054 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.160 -0.139 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.733 -1.253 0.855 1.00 0.00 H new ATOM 842 N PRO A 56 7.230 -1.831 1.565 1.00 0.00 N ATOM 843 CA PRO A 56 8.703 -1.977 1.614 1.00 0.00 C ATOM 844 C PRO A 56 9.399 -0.701 1.095 1.00 0.00 C ATOM 845 O PRO A 56 10.047 -0.707 0.047 1.00 0.00 O ATOM 846 CB PRO A 56 8.964 -3.217 0.715 1.00 0.00 C ATOM 847 CG PRO A 56 7.845 -3.192 -0.285 1.00 0.00 C ATOM 848 CD PRO A 56 6.641 -2.635 0.455 1.00 0.00 C ATOM 0 HA PRO A 56 9.101 -2.112 2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.936 -3.156 0.226 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.957 -4.139 1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.100 -2.568 -1.142 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.640 -4.192 -0.668 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.023 -2.019 -0.198 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.004 -3.433 0.836 1.00 0.00 H new ATOM 856 N LEU A 57 9.262 0.381 1.887 1.00 0.00 N ATOM 857 CA LEU A 57 9.693 1.746 1.530 1.00 0.00 C ATOM 858 C LEU A 57 11.225 1.783 1.392 1.00 0.00 C ATOM 859 O LEU A 57 11.745 2.441 0.501 1.00 0.00 O ATOM 860 CB LEU A 57 9.179 2.754 2.626 1.00 0.00 C ATOM 861 CG LEU A 57 9.017 4.279 2.251 1.00 0.00 C ATOM 862 CD1 LEU A 57 10.356 4.995 1.974 1.00 0.00 C ATOM 863 CD2 LEU A 57 8.027 4.451 1.081 1.00 0.00 C ATOM 0 H LEU A 57 8.839 0.328 2.814 1.00 0.00 H new ATOM 0 HA LEU A 57 9.267 2.041 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.210 2.396 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.862 2.695 3.473 1.00 0.00 H new ATOM 0 HG LEU A 57 8.604 4.770 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.166 6.038 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.986 4.945 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.863 4.508 1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.930 5.509 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.397 3.912 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.053 4.054 1.367 1.00 0.00 H new ATOM 875 N GLU A 58 11.915 1.010 2.253 1.00 0.00 N ATOM 876 CA GLU A 58 13.391 0.951 2.308 1.00 0.00 C ATOM 877 C GLU A 58 13.917 0.352 0.994 1.00 0.00 C ATOM 878 O GLU A 58 14.797 0.922 0.337 1.00 0.00 O ATOM 879 CB GLU A 58 13.892 0.080 3.513 1.00 0.00 C ATOM 880 CG GLU A 58 13.319 0.441 4.908 1.00 0.00 C ATOM 881 CD GLU A 58 11.848 0.044 5.112 1.00 0.00 C ATOM 882 OE1 GLU A 58 11.519 -1.133 4.864 1.00 0.00 O ATOM 883 OE2 GLU A 58 11.009 0.902 5.465 1.00 0.00 O ATOM 0 H GLU A 58 11.461 0.404 2.936 1.00 0.00 H new ATOM 0 HA GLU A 58 13.768 1.964 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.652 -0.963 3.304 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.978 0.154 3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.924 -0.046 5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.417 1.516 5.061 1.00 0.00 H new ATOM 890 N LYS A 59 13.295 -0.772 0.605 1.00 0.00 N ATOM 891 CA LYS A 59 13.630 -1.512 -0.618 1.00 0.00 C ATOM 892 C LYS A 59 13.369 -0.637 -1.849 1.00 0.00 C ATOM 893 O LYS A 59 14.217 -0.545 -2.731 1.00 0.00 O ATOM 894 CB LYS A 59 12.804 -2.818 -0.691 1.00 0.00 C ATOM 895 CG LYS A 59 13.111 -3.715 -1.913 1.00 0.00 C ATOM 896 CD LYS A 59 12.294 -5.026 -1.918 1.00 0.00 C ATOM 897 CE LYS A 59 12.580 -5.907 -0.686 1.00 0.00 C ATOM 898 NZ LYS A 59 11.813 -7.172 -0.723 1.00 0.00 N ATOM 0 H LYS A 59 12.536 -1.196 1.139 1.00 0.00 H new ATOM 0 HA LYS A 59 14.688 -1.774 -0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.981 -3.394 0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.745 -2.561 -0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.902 -3.159 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.174 -3.955 -1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.231 -4.787 -1.950 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.522 -5.589 -2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.646 -6.130 -0.638 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.329 -5.356 0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.033 -7.736 0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.795 -6.960 -0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.071 -7.710 -1.575 1.00 0.00 H new ATOM 912 N TRP A 60 12.205 0.043 -1.849 1.00 0.00 N ATOM 913 CA TRP A 60 11.808 0.963 -2.923 1.00 0.00 C ATOM 914 C TRP A 60 12.839 2.087 -3.072 1.00 0.00 C ATOM 915 O TRP A 60 13.312 2.326 -4.167 1.00 0.00 O ATOM 916 CB TRP A 60 10.389 1.544 -2.668 1.00 0.00 C ATOM 917 CG TRP A 60 9.254 0.548 -2.805 1.00 0.00 C ATOM 918 CD1 TRP A 60 9.320 -0.737 -3.280 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.879 0.778 -2.478 1.00 0.00 C ATOM 920 NE1 TRP A 60 8.079 -1.307 -3.264 1.00 0.00 N ATOM 921 CE2 TRP A 60 7.179 -0.408 -2.774 1.00 0.00 C ATOM 922 CE3 TRP A 60 7.172 1.869 -1.964 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.807 -0.524 -2.590 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.815 1.744 -1.762 1.00 0.00 C ATOM 925 CH2 TRP A 60 5.143 0.553 -2.078 1.00 0.00 C ATOM 0 H TRP A 60 11.516 -0.033 -1.101 1.00 0.00 H new ATOM 0 HA TRP A 60 11.773 0.401 -3.856 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.361 1.967 -1.664 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.218 2.365 -3.365 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.222 -1.227 -3.617 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.860 -2.255 -3.570 1.00 0.00 H new ATOM 0 HE3 TRP A 60 7.680 2.793 -1.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.284 -1.434 -2.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 5.260 2.576 -1.354 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.078 0.487 -1.912 1.00 0.00 H new ATOM 936 N THR A 61 13.243 2.686 -1.935 1.00 0.00 N ATOM 937 CA THR A 61 14.202 3.804 -1.908 1.00 0.00 C ATOM 938 C THR A 61 15.537 3.389 -2.557 1.00 0.00 C ATOM 939 O THR A 61 16.041 4.097 -3.427 1.00 0.00 O ATOM 940 CB THR A 61 14.453 4.309 -0.443 1.00 0.00 C ATOM 941 OG1 THR A 61 13.219 4.776 0.132 1.00 0.00 O ATOM 942 CG2 THR A 61 15.507 5.437 -0.372 1.00 0.00 C ATOM 0 H THR A 61 12.913 2.408 -1.011 1.00 0.00 H new ATOM 0 HA THR A 61 13.767 4.623 -2.481 1.00 0.00 H new ATOM 0 HB THR A 61 14.841 3.461 0.121 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.626 4.013 0.298 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.639 5.747 0.665 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.456 5.074 -0.766 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.170 6.288 -0.964 1.00 0.00 H new ATOM 950 N GLN A 62 16.041 2.191 -2.200 1.00 0.00 N ATOM 951 CA GLN A 62 17.381 1.739 -2.608 1.00 0.00 C ATOM 952 C GLN A 62 17.389 1.344 -4.092 1.00 0.00 C ATOM 953 O GLN A 62 18.286 1.737 -4.836 1.00 0.00 O ATOM 954 CB GLN A 62 17.845 0.546 -1.732 1.00 0.00 C ATOM 955 CG GLN A 62 17.918 0.819 -0.210 1.00 0.00 C ATOM 956 CD GLN A 62 18.982 1.839 0.234 1.00 0.00 C ATOM 957 OE1 GLN A 62 19.312 2.796 -0.476 1.00 0.00 O ATOM 958 NE2 GLN A 62 19.547 1.629 1.418 1.00 0.00 N ATOM 0 H GLN A 62 15.534 1.517 -1.626 1.00 0.00 H new ATOM 0 HA GLN A 62 18.077 2.565 -2.465 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.166 -0.290 -1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.831 0.230 -2.073 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.942 1.170 0.125 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.110 -0.124 0.301 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.259 0.833 1.987 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.269 2.264 1.758 1.00 0.00 H new ATOM 967 N GLU A 63 16.360 0.583 -4.507 1.00 0.00 N ATOM 968 CA GLU A 63 16.242 0.090 -5.888 1.00 0.00 C ATOM 969 C GLU A 63 16.054 1.254 -6.876 1.00 0.00 C ATOM 970 O GLU A 63 16.638 1.242 -7.960 1.00 0.00 O ATOM 971 CB GLU A 63 15.102 -0.957 -6.013 1.00 0.00 C ATOM 972 CG GLU A 63 15.324 -2.235 -5.175 1.00 0.00 C ATOM 973 CD GLU A 63 14.396 -3.395 -5.569 1.00 0.00 C ATOM 974 OE1 GLU A 63 13.177 -3.317 -5.318 1.00 0.00 O ATOM 975 OE2 GLU A 63 14.887 -4.386 -6.151 1.00 0.00 O ATOM 0 H GLU A 63 15.593 0.295 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 63 17.174 -0.412 -6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.163 -0.494 -5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.994 -1.237 -7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 63 16.360 -2.556 -5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.172 -2.000 -4.122 1.00 0.00 H new ATOM 982 N VAL A 64 15.275 2.276 -6.463 1.00 0.00 N ATOM 983 CA VAL A 64 15.111 3.521 -7.240 1.00 0.00 C ATOM 984 C VAL A 64 16.481 4.202 -7.452 1.00 0.00 C ATOM 985 O VAL A 64 16.837 4.559 -8.584 1.00 0.00 O ATOM 986 CB VAL A 64 14.094 4.511 -6.547 1.00 0.00 C ATOM 987 CG1 VAL A 64 14.150 5.930 -7.170 1.00 0.00 C ATOM 988 CG2 VAL A 64 12.650 3.942 -6.606 1.00 0.00 C ATOM 0 H VAL A 64 14.747 2.262 -5.590 1.00 0.00 H new ATOM 0 HA VAL A 64 14.695 3.257 -8.212 1.00 0.00 H new ATOM 0 HB VAL A 64 14.391 4.604 -5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.435 6.578 -6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 64 15.154 6.338 -7.055 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.900 5.872 -8.229 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.964 4.639 -6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.355 3.805 -7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.616 2.983 -6.090 1.00 0.00 H new ATOM 998 N ASN A 65 17.251 4.318 -6.350 1.00 0.00 N ATOM 999 CA ASN A 65 18.601 4.934 -6.344 1.00 0.00 C ATOM 1000 C ASN A 65 19.584 4.211 -7.288 1.00 0.00 C ATOM 1001 O ASN A 65 20.374 4.858 -7.973 1.00 0.00 O ATOM 1002 CB ASN A 65 19.173 4.958 -4.896 1.00 0.00 C ATOM 1003 CG ASN A 65 18.426 5.911 -3.966 1.00 0.00 C ATOM 1004 OD1 ASN A 65 17.928 6.947 -4.391 1.00 0.00 O ATOM 1005 ND2 ASN A 65 18.338 5.558 -2.692 1.00 0.00 N ATOM 0 H ASN A 65 16.955 3.986 -5.432 1.00 0.00 H new ATOM 0 HA ASN A 65 18.490 5.954 -6.713 1.00 0.00 H new ATOM 0 HB2 ASN A 65 19.133 3.951 -4.481 1.00 0.00 H new ATOM 0 HB3 ASN A 65 20.223 5.247 -4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.843 6.156 -2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.765 4.688 -2.373 1.00 0.00 H new ATOM 1012 N ASP A 66 19.503 2.869 -7.330 1.00 0.00 N ATOM 1013 CA ASP A 66 20.409 2.019 -8.149 1.00 0.00 C ATOM 1014 C ASP A 66 19.863 1.768 -9.575 1.00 0.00 C ATOM 1015 O ASP A 66 20.421 0.949 -10.314 1.00 0.00 O ATOM 1016 CB ASP A 66 20.663 0.668 -7.424 1.00 0.00 C ATOM 1017 CG ASP A 66 21.565 0.800 -6.183 1.00 0.00 C ATOM 1018 OD1 ASP A 66 21.052 1.060 -5.079 1.00 0.00 O ATOM 1019 OD2 ASP A 66 22.801 0.662 -6.314 1.00 0.00 O ATOM 0 H ASP A 66 18.812 2.337 -6.801 1.00 0.00 H new ATOM 0 HA ASP A 66 21.348 2.561 -8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.707 0.239 -7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 66 21.121 -0.031 -8.124 1.00 0.00 H new ATOM 1024 N GLY A 67 18.778 2.474 -9.950 1.00 0.00 N ATOM 1025 CA GLY A 67 18.179 2.357 -11.289 1.00 0.00 C ATOM 1026 C GLY A 67 17.419 1.049 -11.534 1.00 0.00 C ATOM 1027 O GLY A 67 16.922 0.823 -12.643 1.00 0.00 O ATOM 0 H GLY A 67 18.298 3.134 -9.338 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.496 3.193 -11.442 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.968 2.449 -12.035 1.00 0.00 H new ATOM 1031 N LYS A 68 17.320 0.197 -10.490 1.00 0.00 N ATOM 1032 CA LYS A 68 16.565 -1.076 -10.539 1.00 0.00 C ATOM 1033 C LYS A 68 15.061 -0.767 -10.685 1.00 0.00 C ATOM 1034 O LYS A 68 14.317 -1.503 -11.336 1.00 0.00 O ATOM 1035 CB LYS A 68 16.799 -1.891 -9.242 1.00 0.00 C ATOM 1036 CG LYS A 68 18.278 -2.157 -8.870 1.00 0.00 C ATOM 1037 CD LYS A 68 18.408 -2.784 -7.460 1.00 0.00 C ATOM 1038 CE LYS A 68 19.868 -3.002 -7.021 1.00 0.00 C ATOM 1039 NZ LYS A 68 20.561 -4.030 -7.837 1.00 0.00 N ATOM 0 H LYS A 68 17.762 0.372 -9.588 1.00 0.00 H new ATOM 0 HA LYS A 68 16.910 -1.662 -11.391 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.325 -1.364 -8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.291 -2.850 -9.342 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.725 -2.823 -9.608 1.00 0.00 H new ATOM 0 HG3 LYS A 68 18.837 -1.222 -8.906 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.911 -2.138 -6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.885 -3.740 -7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 68 20.410 -2.059 -7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.888 -3.301 -5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 21.539 -4.138 -7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.062 -4.938 -7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 20.568 -3.735 -8.834 1.00 0.00 H new ATOM 1053 N ALA A 69 14.653 0.339 -10.047 1.00 0.00 N ATOM 1054 CA ALA A 69 13.306 0.924 -10.144 1.00 0.00 C ATOM 1055 C ALA A 69 13.433 2.445 -10.373 1.00 0.00 C ATOM 1056 O ALA A 69 14.555 2.971 -10.450 1.00 0.00 O ATOM 1057 CB ALA A 69 12.507 0.615 -8.863 1.00 0.00 C ATOM 0 H ALA A 69 15.269 0.868 -9.430 1.00 0.00 H new ATOM 0 HA ALA A 69 12.768 0.488 -10.986 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.511 1.051 -8.941 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.422 -0.465 -8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.022 1.040 -8.001 1.00 0.00 H new ATOM 1063 N THR A 70 12.294 3.148 -10.492 1.00 0.00 N ATOM 1064 CA THR A 70 12.250 4.621 -10.619 1.00 0.00 C ATOM 1065 C THR A 70 11.256 5.218 -9.595 1.00 0.00 C ATOM 1066 O THR A 70 10.454 4.478 -9.011 1.00 0.00 O ATOM 1067 CB THR A 70 11.862 5.026 -12.080 1.00 0.00 C ATOM 1068 OG1 THR A 70 10.774 4.211 -12.542 1.00 0.00 O ATOM 1069 CG2 THR A 70 13.032 4.917 -13.066 1.00 0.00 C ATOM 0 H THR A 70 11.372 2.712 -10.503 1.00 0.00 H new ATOM 0 HA THR A 70 13.240 5.025 -10.405 1.00 0.00 H new ATOM 0 HB THR A 70 11.567 6.075 -12.044 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.965 4.759 -12.620 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.698 5.211 -14.061 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.840 5.574 -12.745 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.390 3.888 -13.093 1.00 0.00 H new ATOM 1077 N THR A 71 11.338 6.552 -9.368 1.00 0.00 N ATOM 1078 CA THR A 71 10.567 7.241 -8.310 1.00 0.00 C ATOM 1079 C THR A 71 9.046 7.093 -8.519 1.00 0.00 C ATOM 1080 O THR A 71 8.384 6.381 -7.761 1.00 0.00 O ATOM 1081 CB THR A 71 10.948 8.766 -8.201 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.907 9.366 -9.502 1.00 0.00 O ATOM 1083 CG2 THR A 71 12.338 8.995 -7.586 1.00 0.00 C ATOM 0 H THR A 71 11.937 7.175 -9.910 1.00 0.00 H new ATOM 0 HA THR A 71 10.835 6.754 -7.372 1.00 0.00 H new ATOM 0 HB THR A 71 10.218 9.227 -7.536 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.142 10.315 -9.432 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.543 10.065 -7.538 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.365 8.575 -6.581 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.093 8.509 -8.203 1.00 0.00 H new ATOM 1091 N GLU A 72 8.522 7.729 -9.583 1.00 0.00 N ATOM 1092 CA GLU A 72 7.067 7.805 -9.876 1.00 0.00 C ATOM 1093 C GLU A 72 6.399 6.414 -9.992 1.00 0.00 C ATOM 1094 O GLU A 72 5.188 6.283 -9.734 1.00 0.00 O ATOM 1095 CB GLU A 72 6.804 8.673 -11.155 1.00 0.00 C ATOM 1096 CG GLU A 72 7.283 8.090 -12.501 1.00 0.00 C ATOM 1097 CD GLU A 72 8.802 7.912 -12.588 1.00 0.00 C ATOM 1098 OE1 GLU A 72 9.516 8.895 -12.870 1.00 0.00 O ATOM 1099 OE2 GLU A 72 9.282 6.801 -12.329 1.00 0.00 O ATOM 0 H GLU A 72 9.097 8.211 -10.274 1.00 0.00 H new ATOM 0 HA GLU A 72 6.599 8.294 -9.021 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.732 8.857 -11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.285 9.641 -11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.803 7.124 -12.660 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.956 8.746 -13.308 1.00 0.00 H new ATOM 1106 N GLN A 73 7.219 5.389 -10.334 1.00 0.00 N ATOM 1107 CA GLN A 73 6.796 3.968 -10.398 1.00 0.00 C ATOM 1108 C GLN A 73 6.031 3.537 -9.124 1.00 0.00 C ATOM 1109 O GLN A 73 5.058 2.795 -9.207 1.00 0.00 O ATOM 1110 CB GLN A 73 8.029 3.047 -10.604 1.00 0.00 C ATOM 1111 CG GLN A 73 7.707 1.550 -10.833 1.00 0.00 C ATOM 1112 CD GLN A 73 8.951 0.656 -10.891 1.00 0.00 C ATOM 1113 OE1 GLN A 73 10.042 1.104 -11.251 1.00 0.00 O ATOM 1114 NE2 GLN A 73 8.792 -0.624 -10.565 1.00 0.00 N ATOM 0 H GLN A 73 8.200 5.527 -10.575 1.00 0.00 H new ATOM 0 HA GLN A 73 6.120 3.869 -11.247 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.597 3.414 -11.459 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.676 3.133 -9.731 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.056 1.200 -10.032 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.151 1.445 -11.765 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.877 -0.965 -10.271 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.585 -1.264 -10.609 1.00 0.00 H new ATOM 1123 N TYR A 74 6.469 4.024 -7.954 1.00 0.00 N ATOM 1124 CA TYR A 74 5.830 3.700 -6.659 1.00 0.00 C ATOM 1125 C TYR A 74 5.243 4.949 -6.006 1.00 0.00 C ATOM 1126 O TYR A 74 4.256 4.863 -5.280 1.00 0.00 O ATOM 1127 CB TYR A 74 6.851 3.040 -5.700 1.00 0.00 C ATOM 1128 CG TYR A 74 7.408 1.718 -6.233 1.00 0.00 C ATOM 1129 CD1 TYR A 74 6.629 0.560 -6.225 1.00 0.00 C ATOM 1130 CD2 TYR A 74 8.693 1.634 -6.771 1.00 0.00 C ATOM 1131 CE1 TYR A 74 7.115 -0.628 -6.727 1.00 0.00 C ATOM 1132 CE2 TYR A 74 9.170 0.452 -7.281 1.00 0.00 C ATOM 1133 CZ TYR A 74 8.386 -0.678 -7.251 1.00 0.00 C ATOM 1134 OH TYR A 74 8.870 -1.855 -7.766 1.00 0.00 O ATOM 0 H TYR A 74 7.270 4.650 -7.873 1.00 0.00 H new ATOM 0 HA TYR A 74 5.019 2.999 -6.856 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.676 3.731 -5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.374 2.864 -4.736 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.629 0.595 -5.819 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.322 2.512 -6.786 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.501 -1.516 -6.709 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.162 0.409 -7.706 1.00 0.00 H new ATOM 0 HH TYR A 74 9.782 -1.717 -8.096 1.00 0.00 H new ATOM 1144 N PHE A 75 5.849 6.111 -6.277 1.00 0.00 N ATOM 1145 CA PHE A 75 5.562 7.360 -5.553 1.00 0.00 C ATOM 1146 C PHE A 75 4.509 8.229 -6.286 1.00 0.00 C ATOM 1147 O PHE A 75 4.338 9.397 -5.939 1.00 0.00 O ATOM 1148 CB PHE A 75 6.891 8.130 -5.331 1.00 0.00 C ATOM 1149 CG PHE A 75 7.862 7.486 -4.323 1.00 0.00 C ATOM 1150 CD1 PHE A 75 8.664 6.391 -4.664 1.00 0.00 C ATOM 1151 CD2 PHE A 75 7.985 7.995 -3.031 1.00 0.00 C ATOM 1152 CE1 PHE A 75 9.543 5.832 -3.748 1.00 0.00 C ATOM 1153 CE2 PHE A 75 8.864 7.436 -2.119 1.00 0.00 C ATOM 1154 CZ PHE A 75 9.645 6.357 -2.476 1.00 0.00 C ATOM 0 H PHE A 75 6.555 6.214 -7.006 1.00 0.00 H new ATOM 0 HA PHE A 75 5.124 7.115 -4.585 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.400 8.228 -6.290 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.656 9.138 -4.991 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.597 5.974 -5.658 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.383 8.842 -2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.149 4.984 -4.031 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.938 7.847 -1.123 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.333 5.925 -1.764 1.00 0.00 H new ATOM 1164 N VAL A 76 3.799 7.659 -7.283 1.00 0.00 N ATOM 1165 CA VAL A 76 2.546 8.258 -7.810 1.00 0.00 C ATOM 1166 C VAL A 76 1.383 7.572 -7.095 1.00 0.00 C ATOM 1167 O VAL A 76 1.343 6.361 -7.037 1.00 0.00 O ATOM 1168 CB VAL A 76 2.401 8.120 -9.375 1.00 0.00 C ATOM 1169 CG1 VAL A 76 0.973 8.472 -9.869 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.439 9.007 -10.089 1.00 0.00 C ATOM 0 H VAL A 76 4.068 6.788 -7.740 1.00 0.00 H new ATOM 0 HA VAL A 76 2.557 9.331 -7.617 1.00 0.00 H new ATOM 0 HB VAL A 76 2.583 7.074 -9.622 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.925 8.361 -10.952 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.251 7.801 -9.404 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.738 9.501 -9.599 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.327 8.901 -11.168 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.282 10.048 -9.808 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.443 8.699 -9.797 1.00 0.00 H new ATOM 1180 N LEU A 77 0.455 8.371 -6.572 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.604 7.938 -5.634 1.00 0.00 C ATOM 1182 C LEU A 77 -1.475 6.765 -6.132 1.00 0.00 C ATOM 1183 O LEU A 77 -1.948 5.981 -5.311 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.484 9.152 -5.273 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.717 10.330 -4.607 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -1.639 11.520 -4.358 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -0.013 9.877 -3.308 1.00 0.00 C ATOM 0 H LEU A 77 0.409 9.367 -6.789 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.093 7.548 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.968 9.516 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.275 8.823 -4.599 1.00 0.00 H new ATOM 0 HG LEU A 77 0.057 10.656 -5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.074 12.327 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.051 11.866 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.452 11.218 -3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.514 10.722 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.756 9.504 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.700 9.085 -3.538 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.689 6.649 -7.456 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.467 5.524 -8.042 1.00 0.00 C ATOM 1201 C LYS A 78 -1.609 4.237 -8.120 1.00 0.00 C ATOM 1202 O LYS A 78 -2.124 3.128 -7.927 1.00 0.00 O ATOM 1203 CB LYS A 78 -3.026 5.900 -9.443 1.00 0.00 C ATOM 1204 CG LYS A 78 -1.957 6.215 -10.503 1.00 0.00 C ATOM 1205 CD LYS A 78 -2.555 6.627 -11.860 1.00 0.00 C ATOM 1206 CE LYS A 78 -1.466 6.851 -12.921 1.00 0.00 C ATOM 1207 NZ LYS A 78 -0.663 5.619 -13.167 1.00 0.00 N ATOM 0 H LYS A 78 -1.338 7.315 -8.144 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.313 5.327 -7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.644 5.078 -9.804 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.679 6.767 -9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.316 7.017 -10.137 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.323 5.339 -10.643 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.243 5.854 -12.203 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.137 7.541 -11.738 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.929 7.174 -13.853 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.805 7.656 -12.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.058 5.760 -14.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.069 5.421 -12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.302 4.816 -13.335 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.302 4.406 -8.397 1.00 0.00 N ATOM 1222 CA ASN A 79 0.685 3.296 -8.432 1.00 0.00 C ATOM 1223 C ASN A 79 0.912 2.765 -7.010 1.00 0.00 C ATOM 1224 O ASN A 79 0.924 1.560 -6.778 1.00 0.00 O ATOM 1225 CB ASN A 79 2.045 3.777 -9.020 1.00 0.00 C ATOM 1226 CG ASN A 79 1.982 4.273 -10.464 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.972 4.805 -10.912 1.00 0.00 O ATOM 1228 ND2 ASN A 79 3.082 4.131 -11.195 1.00 0.00 N ATOM 0 H ASN A 79 0.106 5.317 -8.604 1.00 0.00 H new ATOM 0 HA ASN A 79 0.288 2.506 -9.069 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.432 4.579 -8.392 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.759 2.956 -8.964 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.102 4.469 -12.157 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.907 3.684 -10.794 1.00 0.00 H new ATOM 1235 N LEU A 80 1.078 3.719 -6.083 1.00 0.00 N ATOM 1236 CA LEU A 80 1.208 3.486 -4.647 1.00 0.00 C ATOM 1237 C LEU A 80 -0.015 2.708 -4.145 1.00 0.00 C ATOM 1238 O LEU A 80 0.132 1.649 -3.562 1.00 0.00 O ATOM 1239 CB LEU A 80 1.328 4.854 -3.906 1.00 0.00 C ATOM 1240 CG LEU A 80 1.668 4.793 -2.383 1.00 0.00 C ATOM 1241 CD1 LEU A 80 3.062 4.170 -2.131 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.527 6.183 -1.716 1.00 0.00 C ATOM 0 H LEU A 80 1.127 4.708 -6.327 1.00 0.00 H new ATOM 0 HA LEU A 80 2.105 2.900 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.096 5.446 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.386 5.390 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 80 0.938 4.134 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.261 4.145 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.084 3.155 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.824 4.770 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.771 6.105 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.208 6.887 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.502 6.538 -1.827 1.00 0.00 H new ATOM 1254 N ALA A 81 -1.217 3.226 -4.477 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.509 2.633 -4.068 1.00 0.00 C ATOM 1256 C ALA A 81 -2.694 1.207 -4.614 1.00 0.00 C ATOM 1257 O ALA A 81 -3.303 0.356 -3.956 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.667 3.532 -4.515 1.00 0.00 C ATOM 0 H ALA A 81 -1.319 4.071 -5.039 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.506 2.562 -2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.613 3.086 -4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.563 4.515 -4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.649 3.636 -5.600 1.00 0.00 H new ATOM 1264 N ALA A 82 -2.147 0.957 -5.813 1.00 0.00 N ATOM 1265 CA ALA A 82 -2.171 -0.372 -6.441 1.00 0.00 C ATOM 1266 C ALA A 82 -1.294 -1.358 -5.645 1.00 0.00 C ATOM 1267 O ALA A 82 -1.702 -2.486 -5.397 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.704 -0.279 -7.904 1.00 0.00 C ATOM 0 H ALA A 82 -1.677 1.668 -6.373 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.195 -0.746 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.727 -1.270 -8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.367 0.387 -8.456 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.687 0.112 -7.937 1.00 0.00 H new ATOM 1274 N ARG A 83 -0.100 -0.883 -5.231 1.00 0.00 N ATOM 1275 CA ARG A 83 0.870 -1.672 -4.443 1.00 0.00 C ATOM 1276 C ARG A 83 0.313 -2.015 -3.048 1.00 0.00 C ATOM 1277 O ARG A 83 0.446 -3.144 -2.591 1.00 0.00 O ATOM 1278 CB ARG A 83 2.211 -0.893 -4.311 1.00 0.00 C ATOM 1279 CG ARG A 83 2.972 -0.695 -5.643 1.00 0.00 C ATOM 1280 CD ARG A 83 3.407 -2.033 -6.255 1.00 0.00 C ATOM 1281 NE ARG A 83 3.999 -1.894 -7.594 1.00 0.00 N ATOM 1282 CZ ARG A 83 4.705 -2.841 -8.223 1.00 0.00 C ATOM 1283 NH1 ARG A 83 4.955 -4.011 -7.642 1.00 0.00 N ATOM 1284 NH2 ARG A 83 5.163 -2.605 -9.440 1.00 0.00 N ATOM 0 H ARG A 83 0.219 0.064 -5.435 1.00 0.00 H new ATOM 0 HA ARG A 83 1.050 -2.609 -4.970 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.007 0.085 -3.875 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.858 -1.424 -3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.336 -0.162 -6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.849 -0.072 -5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.130 -2.510 -5.593 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.544 -2.696 -6.314 1.00 0.00 H new ATOM 0 HE ARG A 83 3.861 -1.008 -8.080 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.607 -4.198 -6.702 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.495 -4.721 -8.137 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.977 -1.709 -9.890 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.702 -3.319 -9.929 1.00 0.00 H new ATOM 1298 N ILE A 84 -0.327 -1.022 -2.402 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.932 -1.168 -1.058 1.00 0.00 C ATOM 1300 C ILE A 84 -2.029 -2.245 -1.082 1.00 0.00 C ATOM 1301 O ILE A 84 -1.979 -3.206 -0.315 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.537 0.205 -0.576 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.441 1.312 -0.558 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -2.218 0.079 0.812 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -0.950 2.731 -0.476 1.00 0.00 C ATOM 0 H ILE A 84 -0.441 -0.089 -2.798 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.153 -1.473 -0.360 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.308 0.493 -1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.219 1.132 0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.165 1.213 -1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.622 1.047 1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.026 -0.650 0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.485 -0.249 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.106 3.421 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.583 2.941 -1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.529 2.858 0.439 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.983 -2.081 -2.021 1.00 0.00 N ATOM 1318 CA ASP A 85 -4.147 -2.986 -2.179 1.00 0.00 C ATOM 1319 C ASP A 85 -3.693 -4.420 -2.535 1.00 0.00 C ATOM 1320 O ASP A 85 -4.282 -5.405 -2.086 1.00 0.00 O ATOM 1321 CB ASP A 85 -5.109 -2.429 -3.263 1.00 0.00 C ATOM 1322 CG ASP A 85 -6.410 -3.241 -3.396 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -7.199 -3.263 -2.428 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -6.638 -3.884 -4.445 1.00 0.00 O ATOM 0 H ASP A 85 -2.971 -1.315 -2.695 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.678 -3.034 -1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.357 -1.395 -3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.595 -2.418 -4.224 1.00 0.00 H new ATOM 1329 N GLU A 86 -2.612 -4.502 -3.316 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.994 -5.759 -3.739 1.00 0.00 C ATOM 1331 C GLU A 86 -1.384 -6.505 -2.535 1.00 0.00 C ATOM 1332 O GLU A 86 -1.512 -7.728 -2.423 1.00 0.00 O ATOM 1333 CB GLU A 86 -0.910 -5.423 -4.780 1.00 0.00 C ATOM 1334 CG GLU A 86 -0.205 -6.625 -5.387 1.00 0.00 C ATOM 1335 CD GLU A 86 0.829 -6.217 -6.443 1.00 0.00 C ATOM 1336 OE1 GLU A 86 0.429 -5.930 -7.585 1.00 0.00 O ATOM 1337 OE2 GLU A 86 2.035 -6.160 -6.130 1.00 0.00 O ATOM 0 H GLU A 86 -2.133 -3.678 -3.679 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.745 -6.417 -4.176 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.366 -4.845 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.164 -4.782 -4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.289 -7.192 -4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.943 -7.287 -5.840 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.730 -5.741 -1.637 1.00 0.00 N ATOM 1345 CA LEU A 87 -0.108 -6.290 -0.417 1.00 0.00 C ATOM 1346 C LEU A 87 -1.176 -6.668 0.624 1.00 0.00 C ATOM 1347 O LEU A 87 -0.960 -7.576 1.416 1.00 0.00 O ATOM 1348 CB LEU A 87 0.926 -5.286 0.165 1.00 0.00 C ATOM 1349 CG LEU A 87 2.177 -5.013 -0.735 1.00 0.00 C ATOM 1350 CD1 LEU A 87 3.112 -3.961 -0.099 1.00 0.00 C ATOM 1351 CD2 LEU A 87 2.929 -6.326 -1.066 1.00 0.00 C ATOM 0 H LEU A 87 -0.619 -4.732 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 87 0.425 -7.203 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.421 -4.338 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.268 -5.661 1.129 1.00 0.00 H new ATOM 0 HG LEU A 87 1.821 -4.597 -1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.970 -3.796 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.570 -3.024 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.456 -4.319 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.793 -6.103 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.263 -6.797 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.261 -7.004 -1.597 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.337 -5.972 0.594 1.00 0.00 N ATOM 1364 CA VAL A 88 -3.513 -6.317 1.430 1.00 0.00 C ATOM 1365 C VAL A 88 -4.124 -7.652 0.953 1.00 0.00 C ATOM 1366 O VAL A 88 -4.529 -8.492 1.770 1.00 0.00 O ATOM 1367 CB VAL A 88 -4.603 -5.170 1.408 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -5.916 -5.600 2.123 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -4.041 -3.863 2.030 1.00 0.00 C ATOM 0 H VAL A 88 -2.485 -5.161 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.174 -6.425 2.460 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.850 -4.979 0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.636 -4.783 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.333 -6.475 1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.701 -5.844 3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.808 -3.089 2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.748 -4.049 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.173 -3.533 1.460 1.00 0.00 H new ATOM 1379 N ALA A 89 -4.155 -7.837 -0.380 1.00 0.00 N ATOM 1380 CA ALA A 89 -4.678 -9.054 -1.021 1.00 0.00 C ATOM 1381 C ALA A 89 -3.807 -10.267 -0.668 1.00 0.00 C ATOM 1382 O ALA A 89 -4.309 -11.290 -0.189 1.00 0.00 O ATOM 1383 CB ALA A 89 -4.755 -8.857 -2.543 1.00 0.00 C ATOM 0 H ALA A 89 -3.816 -7.142 -1.044 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.684 -9.244 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.143 -9.763 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.417 -8.021 -2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.759 -8.647 -2.934 1.00 0.00 H new ATOM 1389 N ALA A 90 -2.492 -10.098 -0.868 1.00 0.00 N ATOM 1390 CA ALA A 90 -1.477 -11.117 -0.560 1.00 0.00 C ATOM 1391 C ALA A 90 -1.447 -11.456 0.947 1.00 0.00 C ATOM 1392 O ALA A 90 -1.173 -12.595 1.327 1.00 0.00 O ATOM 1393 CB ALA A 90 -0.093 -10.627 -1.027 1.00 0.00 C ATOM 0 H ALA A 90 -2.098 -9.239 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.740 -12.030 -1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.657 -11.384 -0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.113 -10.450 -2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.158 -9.700 -0.512 1.00 0.00 H new ATOM 1399 N LYS A 91 -1.729 -10.447 1.790 1.00 0.00 N ATOM 1400 CA LYS A 91 -1.737 -10.591 3.260 1.00 0.00 C ATOM 1401 C LYS A 91 -3.000 -11.344 3.707 1.00 0.00 C ATOM 1402 O LYS A 91 -2.934 -12.174 4.624 1.00 0.00 O ATOM 1403 CB LYS A 91 -1.626 -9.181 3.935 1.00 0.00 C ATOM 1404 CG LYS A 91 -1.421 -9.127 5.489 1.00 0.00 C ATOM 1405 CD LYS A 91 -2.726 -9.267 6.317 1.00 0.00 C ATOM 1406 CE LYS A 91 -3.770 -8.199 5.958 1.00 0.00 C ATOM 1407 NZ LYS A 91 -5.021 -8.385 6.712 1.00 0.00 N ATOM 0 H LYS A 91 -1.959 -9.505 1.472 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.875 -11.178 3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.795 -8.651 3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.532 -8.624 3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.735 -9.922 5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.942 -8.182 5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.152 -10.257 6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.488 -9.195 7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.364 -7.209 6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.980 -8.240 4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.701 -7.646 6.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.422 -9.320 6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.825 -8.321 7.731 1.00 0.00 H new ATOM 1421 N GLY A 92 -4.143 -11.048 3.060 1.00 0.00 N ATOM 1422 CA GLY A 92 -5.421 -11.626 3.463 1.00 0.00 C ATOM 1423 C GLY A 92 -5.530 -13.094 3.058 1.00 0.00 C ATOM 1424 O GLY A 92 -5.581 -13.960 3.936 1.00 0.00 O ATOM 0 H GLY A 92 -4.199 -10.415 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.536 -11.537 4.543 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.235 -11.062 3.008 1.00 0.00 H new ATOM 1428 N ALA A 93 -5.502 -13.331 1.725 1.00 0.00 N ATOM 1429 CA ALA A 93 -5.501 -14.669 1.050 1.00 0.00 C ATOM 1430 C ALA A 93 -5.959 -14.522 -0.418 1.00 0.00 C ATOM 1431 O ALA A 93 -6.024 -15.518 -1.157 1.00 0.00 O ATOM 1432 CB ALA A 93 -6.388 -15.734 1.747 1.00 0.00 C ATOM 0 H ALA A 93 -5.478 -12.565 1.052 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.473 -15.026 1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.331 -16.672 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.035 -15.890 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.422 -15.388 1.769 1.00 0.00 H new ATOM 1438 N LEU A 94 -6.248 -13.266 -0.843 1.00 0.00 N ATOM 1439 CA LEU A 94 -6.839 -12.962 -2.162 1.00 0.00 C ATOM 1440 C LEU A 94 -5.766 -13.109 -3.258 1.00 0.00 C ATOM 1441 O LEU A 94 -4.567 -13.092 -2.955 1.00 0.00 O ATOM 1442 CB LEU A 94 -7.446 -11.517 -2.207 1.00 0.00 C ATOM 1443 CG LEU A 94 -8.562 -11.146 -1.173 1.00 0.00 C ATOM 1444 CD1 LEU A 94 -9.706 -12.170 -1.183 1.00 0.00 C ATOM 1445 CD2 LEU A 94 -7.989 -10.915 0.243 1.00 0.00 C ATOM 0 H LEU A 94 -6.075 -12.436 -0.275 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.649 -13.670 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.627 -10.809 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.853 -11.359 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.989 -10.194 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.461 -11.879 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -10.155 -12.204 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.315 -13.155 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.799 -10.660 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.495 -11.823 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.268 -10.098 0.215 1.00 0.00 H new ATOM 1457 N GLU A 95 -6.236 -13.224 -4.520 1.00 0.00 N ATOM 1458 CA GLU A 95 -5.424 -13.557 -5.727 1.00 0.00 C ATOM 1459 C GLU A 95 -5.064 -15.066 -5.761 1.00 0.00 C ATOM 1460 O GLU A 95 -4.381 -15.513 -6.688 1.00 0.00 O ATOM 1461 CB GLU A 95 -4.133 -12.678 -5.871 1.00 0.00 C ATOM 1462 CG GLU A 95 -4.380 -11.160 -5.935 1.00 0.00 C ATOM 1463 CD GLU A 95 -3.079 -10.342 -6.020 1.00 0.00 C ATOM 1464 OE1 GLU A 95 -2.546 -10.162 -7.139 1.00 0.00 O ATOM 1465 OE2 GLU A 95 -2.574 -9.879 -4.973 1.00 0.00 O ATOM 0 H GLU A 95 -7.222 -13.084 -4.741 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.055 -13.324 -6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.474 -12.888 -5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.604 -12.983 -6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.001 -10.935 -6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.940 -10.851 -5.052 1.00 0.00 H new ATOM 1472 N HIS A 96 -5.573 -15.830 -4.759 1.00 0.00 N ATOM 1473 CA HIS A 96 -5.307 -17.274 -4.558 1.00 0.00 C ATOM 1474 C HIS A 96 -3.823 -17.544 -4.236 1.00 0.00 C ATOM 1475 O HIS A 96 -2.951 -17.292 -5.067 1.00 0.00 O ATOM 1476 CB HIS A 96 -5.766 -18.124 -5.775 1.00 0.00 C ATOM 1477 CG HIS A 96 -7.225 -17.975 -6.091 1.00 0.00 C ATOM 1478 ND1 HIS A 96 -7.690 -17.341 -7.220 1.00 0.00 N ATOM 1479 CD2 HIS A 96 -8.319 -18.377 -5.410 1.00 0.00 C ATOM 1480 CE1 HIS A 96 -9.005 -17.354 -7.218 1.00 0.00 C ATOM 1481 NE2 HIS A 96 -9.413 -17.976 -6.130 1.00 0.00 N ATOM 0 H HIS A 96 -6.197 -15.445 -4.050 1.00 0.00 H new ATOM 0 HA HIS A 96 -5.899 -17.580 -3.695 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -5.182 -17.838 -6.649 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.550 -19.174 -5.577 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.330 -18.914 -4.473 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -9.642 -16.928 -7.979 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.386 -18.133 -5.867 1.00 0.00 H new ATOM 1490 N HIS A 97 -3.541 -18.072 -3.025 1.00 0.00 N ATOM 1491 CA HIS A 97 -2.160 -18.410 -2.578 1.00 0.00 C ATOM 1492 C HIS A 97 -1.704 -19.755 -3.199 1.00 0.00 C ATOM 1493 O HIS A 97 -1.386 -20.725 -2.507 1.00 0.00 O ATOM 1494 CB HIS A 97 -2.078 -18.397 -1.021 1.00 0.00 C ATOM 1495 CG HIS A 97 -3.005 -19.355 -0.307 1.00 0.00 C ATOM 1496 ND1 HIS A 97 -2.598 -20.587 0.155 1.00 0.00 N ATOM 1497 CD2 HIS A 97 -4.320 -19.256 0.016 1.00 0.00 C ATOM 1498 CE1 HIS A 97 -3.610 -21.196 0.736 1.00 0.00 C ATOM 1499 NE2 HIS A 97 -4.668 -20.414 0.667 1.00 0.00 N ATOM 0 H HIS A 97 -4.257 -18.278 -2.328 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.464 -17.651 -2.936 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.053 -18.625 -0.728 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.291 -17.386 -0.673 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.971 -18.422 -0.199 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.578 -22.174 1.193 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.593 -20.633 1.036 1.00 0.00 H new ATOM 1508 N HIS A 98 -1.697 -19.784 -4.541 1.00 0.00 N ATOM 1509 CA HIS A 98 -1.381 -20.962 -5.363 1.00 0.00 C ATOM 1510 C HIS A 98 -0.601 -20.502 -6.599 1.00 0.00 C ATOM 1511 O HIS A 98 -0.277 -19.314 -6.741 1.00 0.00 O ATOM 1512 CB HIS A 98 -2.681 -21.705 -5.806 1.00 0.00 C ATOM 1513 CG HIS A 98 -3.410 -22.452 -4.710 1.00 0.00 C ATOM 1514 ND1 HIS A 98 -3.344 -23.823 -4.581 1.00 0.00 N ATOM 1515 CD2 HIS A 98 -4.247 -22.028 -3.728 1.00 0.00 C ATOM 1516 CE1 HIS A 98 -4.107 -24.207 -3.578 1.00 0.00 C ATOM 1517 NE2 HIS A 98 -4.659 -23.140 -3.039 1.00 0.00 N ATOM 0 H HIS A 98 -1.918 -18.961 -5.102 1.00 0.00 H new ATOM 0 HA HIS A 98 -0.783 -21.656 -4.773 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -3.365 -20.976 -6.242 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -2.424 -22.412 -6.595 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.534 -21.006 -3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -4.255 -25.226 -3.252 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.291 -23.140 -2.238 1.00 0.00 H new ATOM 1526 N HIS A 99 -0.287 -21.454 -7.475 1.00 0.00 N ATOM 1527 CA HIS A 99 0.268 -21.175 -8.804 1.00 0.00 C ATOM 1528 C HIS A 99 -0.883 -21.176 -9.822 1.00 0.00 C ATOM 1529 O HIS A 99 -1.877 -21.906 -9.637 1.00 0.00 O ATOM 1530 CB HIS A 99 1.332 -22.240 -9.161 1.00 0.00 C ATOM 1531 CG HIS A 99 2.458 -22.324 -8.175 1.00 0.00 C ATOM 1532 ND1 HIS A 99 2.472 -23.215 -7.130 1.00 0.00 N ATOM 1533 CD2 HIS A 99 3.597 -21.609 -8.073 1.00 0.00 C ATOM 1534 CE1 HIS A 99 3.569 -23.046 -6.427 1.00 0.00 C ATOM 1535 NE2 HIS A 99 4.274 -22.076 -6.976 1.00 0.00 N ATOM 0 H HIS A 99 -0.410 -22.448 -7.284 1.00 0.00 H new ATOM 0 HA HIS A 99 0.755 -20.200 -8.818 1.00 0.00 H new ATOM 0 HB2 HIS A 99 0.848 -23.214 -9.230 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.740 -22.016 -10.147 1.00 0.00 H new ATOM 0 HD2 HIS A 99 3.916 -20.816 -8.733 1.00 0.00 H new ATOM 0 HE1 HIS A 99 3.847 -23.607 -5.547 1.00 0.00 H new ATOM 0 HE2 HIS A 99 5.173 -21.731 -6.640 1.00 0.00 H new ATOM 1544 N HIS A 100 -0.751 -20.349 -10.870 1.00 0.00 N ATOM 1545 CA HIS A 100 -1.752 -20.232 -11.947 1.00 0.00 C ATOM 1546 C HIS A 100 -1.823 -21.544 -12.741 1.00 0.00 C ATOM 1547 O HIS A 100 -1.012 -21.781 -13.645 1.00 0.00 O ATOM 1548 CB HIS A 100 -1.407 -19.048 -12.891 1.00 0.00 C ATOM 1549 CG HIS A 100 -1.347 -17.710 -12.210 1.00 0.00 C ATOM 1550 ND1 HIS A 100 -0.200 -16.946 -12.151 1.00 0.00 N ATOM 1551 CD2 HIS A 100 -2.306 -16.989 -11.590 1.00 0.00 C ATOM 1552 CE1 HIS A 100 -0.461 -15.815 -11.529 1.00 0.00 C ATOM 1553 NE2 HIS A 100 -1.729 -15.819 -11.184 1.00 0.00 N ATOM 0 H HIS A 100 0.056 -19.739 -10.997 1.00 0.00 H new ATOM 0 HA HIS A 100 -2.725 -20.037 -11.497 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -0.445 -19.245 -13.364 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -2.151 -19.004 -13.686 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -3.335 -17.282 -11.443 1.00 0.00 H new ATOM 0 HE1 HIS A 100 0.245 -15.021 -11.336 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -2.208 -15.066 -10.690 1.00 0.00 H new ATOM 1562 N HIS A 101 -2.754 -22.422 -12.335 1.00 0.00 N ATOM 1563 CA HIS A 101 -2.950 -23.746 -12.941 1.00 0.00 C ATOM 1564 C HIS A 101 -4.196 -23.709 -13.858 1.00 0.00 C ATOM 1565 O HIS A 101 -5.335 -23.723 -13.337 1.00 0.00 O ATOM 1566 CB HIS A 101 -3.073 -24.834 -11.833 1.00 0.00 C ATOM 1567 CG HIS A 101 -3.181 -26.240 -12.368 1.00 0.00 C ATOM 1568 ND1 HIS A 101 -4.338 -26.985 -12.293 1.00 0.00 N ATOM 1569 CD2 HIS A 101 -2.269 -27.033 -12.988 1.00 0.00 C ATOM 1570 CE1 HIS A 101 -4.136 -28.167 -12.840 1.00 0.00 C ATOM 1571 NE2 HIS A 101 -2.889 -28.226 -13.270 1.00 0.00 N ATOM 1572 OXT HIS A 101 -4.037 -23.655 -15.091 1.00 0.00 O ATOM 0 H HIS A 101 -3.398 -22.229 -11.568 1.00 0.00 H new ATOM 0 HA HIS A 101 -2.086 -24.007 -13.552 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.205 -24.771 -11.177 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -3.950 -24.619 -11.222 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -1.246 -26.774 -13.217 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -4.869 -28.956 -12.923 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -2.458 -29.025 -13.735 1.00 0.00 H new TER 1581 HIS A 101 HETATM 1582 P24 PNS A 102 14.410 11.825 1.799 1.00 0.00 P HETATM 1583 O25 PNS A 102 14.358 10.484 2.396 1.00 0.00 O HETATM 1584 O26 PNS A 102 15.237 12.844 2.460 1.00 0.00 O HETATM 1585 O27 PNS A 102 14.755 11.733 0.234 1.00 0.00 O HETATM 1586 C28 PNS A 102 14.751 12.901 -0.612 1.00 0.00 C HETATM 1587 C29 PNS A 102 14.775 12.511 -2.124 1.00 0.00 C HETATM 1588 C30 PNS A 102 13.493 11.671 -2.447 1.00 0.00 C HETATM 1589 C31 PNS A 102 16.046 11.658 -2.395 1.00 0.00 C HETATM 1590 C32 PNS A 102 14.779 13.843 -2.989 1.00 0.00 C HETATM 1591 O33 PNS A 102 15.920 14.643 -2.649 1.00 0.00 O HETATM 1592 C34 PNS A 102 14.798 13.558 -4.509 1.00 0.00 C HETATM 1593 O35 PNS A 102 13.753 13.599 -5.163 1.00 0.00 O HETATM 1594 N36 PNS A 102 15.996 13.278 -5.052 1.00 0.00 N HETATM 1595 C37 PNS A 102 16.174 12.976 -6.489 1.00 0.00 C HETATM 1596 C38 PNS A 102 17.646 12.740 -6.856 1.00 0.00 C HETATM 1597 C39 PNS A 102 18.485 14.024 -6.968 1.00 0.00 C HETATM 1598 O40 PNS A 102 19.027 14.324 -8.041 1.00 0.00 O HETATM 1599 N41 PNS A 102 18.572 14.791 -5.860 1.00 0.00 N HETATM 1600 C42 PNS A 102 19.344 16.055 -5.802 1.00 0.00 C HETATM 1601 C43 PNS A 102 20.858 15.829 -5.836 1.00 0.00 C HETATM 1602 S44 PNS A 102 21.795 17.364 -5.772 1.00 0.00 S HETATM 0 H432 PNS A 102 21.145 15.198 -4.995 1.00 0.00 H new HETATM 0 H431 PNS A 102 21.119 15.287 -6.745 1.00 0.00 H new HETATM 0 H422 PNS A 102 19.082 16.594 -4.891 1.00 0.00 H new HETATM 0 H421 PNS A 102 19.057 16.689 -6.641 1.00 0.00 H new HETATM 0 H382 PNS A 102 17.690 12.207 -7.806 1.00 0.00 H new HETATM 0 H381 PNS A 102 18.096 12.091 -6.105 1.00 0.00 H new HETATM 0 H372 PNS A 102 15.781 13.801 -7.083 1.00 0.00 H new HETATM 0 H371 PNS A 102 15.591 12.092 -6.747 1.00 0.00 H new HETATM 0 H313 PNS A 102 16.078 11.377 -3.448 1.00 0.00 H new HETATM 0 H312 PNS A 102 16.018 10.758 -1.780 1.00 0.00 H new HETATM 0 H311 PNS A 102 16.934 12.240 -2.148 1.00 0.00 H new HETATM 0 H303 PNS A 102 13.497 11.392 -3.501 1.00 0.00 H new HETATM 0 H302 PNS A 102 12.605 12.265 -2.233 1.00 0.00 H new HETATM 0 H301 PNS A 102 13.484 10.770 -1.833 1.00 0.00 H new HETATM 0 H282 PNS A 102 15.617 13.522 -0.381 1.00 0.00 H new HETATM 0 H281 PNS A 102 13.864 13.500 -0.403 1.00 0.00 H new HETATM 0 H44 PNS A 102 23.067 17.097 -5.802 1.00 0.00 H new HETATM 0 H41 PNS A 102 18.081 14.485 -5.020 1.00 0.00 H new HETATM 0 H36 PNS A 102 16.817 13.274 -4.447 1.00 0.00 H new HETATM 0 H33 PNS A 102 15.917 15.462 -3.187 1.00 0.00 H new HETATM 0 H32 PNS A 102 13.857 14.376 -2.759 1.00 0.00 H new