USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 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 28 HIS : no HD1:sc= 1.04 K(o=1,f=-8.2!) USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= -0.027 USER MOD Set 2.1: A 24 THR OG1 : rot -25:sc= 1.01 USER MOD Set 2.2: A 27 SER OG : rot -77:sc= 1.56 USER MOD Single : A 4 THR OG1 : rot 30:sc= 0.116 USER MOD Single : A 10 THR OG1 : rot 65:sc= 0.633 USER MOD Single : A 15 THR OG1 : rot 69:sc= 1.23 USER MOD Single : A 16 CYS SG : rot 130:sc= -0.361 USER MOD Single : A 22 THR OG1 : rot -57:sc= 1.11 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0424) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 77:sc= 0.815 USER MOD Single : A 62 GLN : amide:sc= -0.327 X(o=-0.33,f=0) USER MOD Single : A 65 ASN : amide:sc=-0.00127 K(o=-0.0013,f=-1.5) USER MOD Single : A 68 LYS NZ :NH3+ 152:sc= 0.614 (180deg=0.274) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.45! USER MOD Single : A 73 GLN : amide:sc= -0.473 K(o=-0.47,f=-4.4!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.282 K(o=0.28,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ -132:sc= 1.79 (180deg=-0.919) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -6.740 -2.500 3.480 1.00 0.00 N ATOM 46 CA THR A 4 -5.287 -2.491 3.246 1.00 0.00 C ATOM 47 C THR A 4 -4.864 -1.265 2.401 1.00 0.00 C ATOM 48 O THR A 4 -4.110 -0.420 2.885 1.00 0.00 O ATOM 49 CB THR A 4 -4.801 -3.818 2.571 1.00 0.00 C ATOM 50 OG1 THR A 4 -5.259 -4.952 3.338 1.00 0.00 O ATOM 51 CG2 THR A 4 -3.266 -3.875 2.461 1.00 0.00 C ATOM 0 HA THR A 4 -4.806 -2.418 4.221 1.00 0.00 H new ATOM 0 HB THR A 4 -5.218 -3.846 1.564 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.102 -4.726 3.784 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.970 -4.811 1.987 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.913 -3.037 1.860 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.827 -3.818 3.457 1.00 0.00 H new ATOM 59 N PHE A 5 -5.422 -1.145 1.172 1.00 0.00 N ATOM 60 CA PHE A 5 -5.144 -0.004 0.270 1.00 0.00 C ATOM 61 C PHE A 5 -5.542 1.333 0.928 1.00 0.00 C ATOM 62 O PHE A 5 -4.786 2.301 0.853 1.00 0.00 O ATOM 63 CB PHE A 5 -5.867 -0.171 -1.108 1.00 0.00 C ATOM 64 CG PHE A 5 -6.008 1.144 -1.895 1.00 0.00 C ATOM 65 CD1 PHE A 5 -4.885 1.820 -2.377 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.257 1.739 -2.085 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.013 3.043 -3.003 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.374 2.955 -2.726 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.254 3.606 -3.181 1.00 0.00 C ATOM 0 H PHE A 5 -6.070 -1.829 0.782 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.070 0.008 0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.314 -0.889 -1.714 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.858 -0.592 -0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.906 1.381 -2.258 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.144 1.240 -1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.133 3.561 -3.355 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.349 3.396 -2.870 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.348 4.560 -3.678 1.00 0.00 H new ATOM 79 N ASP A 6 -6.725 1.355 1.556 1.00 0.00 N ATOM 80 CA ASP A 6 -7.282 2.562 2.209 1.00 0.00 C ATOM 81 C ASP A 6 -6.290 3.158 3.230 1.00 0.00 C ATOM 82 O ASP A 6 -6.108 4.385 3.298 1.00 0.00 O ATOM 83 CB ASP A 6 -8.620 2.208 2.897 1.00 0.00 C ATOM 84 CG ASP A 6 -9.254 3.384 3.665 1.00 0.00 C ATOM 85 OD1 ASP A 6 -9.870 4.268 3.035 1.00 0.00 O ATOM 86 OD2 ASP A 6 -9.129 3.437 4.905 1.00 0.00 O ATOM 0 H ASP A 6 -7.330 0.537 1.629 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.458 3.318 1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.324 1.857 2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.455 1.381 3.588 1.00 0.00 H new ATOM 91 N ARG A 7 -5.633 2.262 3.990 1.00 0.00 N ATOM 92 CA ARG A 7 -4.626 2.646 4.993 1.00 0.00 C ATOM 93 C ARG A 7 -3.305 3.081 4.338 1.00 0.00 C ATOM 94 O ARG A 7 -2.653 3.978 4.859 1.00 0.00 O ATOM 95 CB ARG A 7 -4.362 1.502 5.999 1.00 0.00 C ATOM 96 CG ARG A 7 -5.565 1.148 6.884 1.00 0.00 C ATOM 97 CD ARG A 7 -5.261 0.026 7.883 1.00 0.00 C ATOM 98 NE ARG A 7 -4.277 0.436 8.905 1.00 0.00 N ATOM 99 CZ ARG A 7 -3.804 -0.358 9.876 1.00 0.00 C ATOM 100 NH1 ARG A 7 -4.072 -1.659 9.893 1.00 0.00 N ATOM 101 NH2 ARG A 7 -3.020 0.159 10.809 1.00 0.00 N ATOM 0 H ARG A 7 -5.786 1.256 3.925 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.037 3.498 5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.057 0.612 5.448 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.525 1.783 6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.883 2.037 7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.400 0.847 6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.185 -0.280 8.374 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.882 -0.843 7.345 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.931 1.395 8.869 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.647 -2.071 9.158 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.702 -2.246 10.641 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.782 1.151 10.784 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.653 -0.434 11.553 1.00 0.00 H new ATOM 115 N VAL A 8 -2.913 2.470 3.196 1.00 0.00 N ATOM 116 CA VAL A 8 -1.659 2.842 2.487 1.00 0.00 C ATOM 117 C VAL A 8 -1.819 4.239 1.851 1.00 0.00 C ATOM 118 O VAL A 8 -0.880 5.035 1.830 1.00 0.00 O ATOM 119 CB VAL A 8 -1.263 1.790 1.381 1.00 0.00 C ATOM 120 CG1 VAL A 8 0.075 2.159 0.686 1.00 0.00 C ATOM 121 CG2 VAL A 8 -1.198 0.371 1.978 1.00 0.00 C ATOM 0 H VAL A 8 -3.440 1.722 2.746 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.855 2.856 3.223 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.041 1.809 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.312 1.409 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.019 3.135 0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.873 2.192 1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.923 -0.339 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.452 0.344 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.173 0.103 2.386 1.00 0.00 H new ATOM 131 N ALA A 9 -3.042 4.517 1.361 1.00 0.00 N ATOM 132 CA ALA A 9 -3.446 5.832 0.839 1.00 0.00 C ATOM 133 C ALA A 9 -3.365 6.902 1.938 1.00 0.00 C ATOM 134 O ALA A 9 -2.954 8.037 1.676 1.00 0.00 O ATOM 135 CB ALA A 9 -4.873 5.762 0.248 1.00 0.00 C ATOM 0 H ALA A 9 -3.787 3.822 1.317 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.757 6.113 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.157 6.743 -0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.895 5.036 -0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.574 5.458 1.025 1.00 0.00 H new ATOM 141 N THR A 10 -3.764 6.511 3.172 1.00 0.00 N ATOM 142 CA THR A 10 -3.620 7.352 4.375 1.00 0.00 C ATOM 143 C THR A 10 -2.139 7.657 4.656 1.00 0.00 C ATOM 144 O THR A 10 -1.758 8.816 4.777 1.00 0.00 O ATOM 145 CB THR A 10 -4.244 6.666 5.637 1.00 0.00 C ATOM 146 OG1 THR A 10 -5.532 6.142 5.321 1.00 0.00 O ATOM 147 CG2 THR A 10 -4.370 7.631 6.835 1.00 0.00 C ATOM 0 H THR A 10 -4.194 5.604 3.357 1.00 0.00 H new ATOM 0 HA THR A 10 -4.155 8.281 4.177 1.00 0.00 H new ATOM 0 HB THR A 10 -3.567 5.863 5.927 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.440 5.422 4.663 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.808 7.104 7.682 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.382 8.001 7.109 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.009 8.471 6.560 1.00 0.00 H new ATOM 155 N ILE A 11 -1.313 6.591 4.688 1.00 0.00 N ATOM 156 CA ILE A 11 0.133 6.664 4.975 1.00 0.00 C ATOM 157 C ILE A 11 0.853 7.629 4.017 1.00 0.00 C ATOM 158 O ILE A 11 1.562 8.534 4.463 1.00 0.00 O ATOM 159 CB ILE A 11 0.772 5.224 4.890 1.00 0.00 C ATOM 160 CG1 ILE A 11 0.198 4.311 6.018 1.00 0.00 C ATOM 161 CG2 ILE A 11 2.317 5.267 4.932 1.00 0.00 C ATOM 162 CD1 ILE A 11 0.565 2.838 5.925 1.00 0.00 C ATOM 0 H ILE A 11 -1.638 5.640 4.512 1.00 0.00 H new ATOM 0 HA ILE A 11 0.257 7.053 5.986 1.00 0.00 H new ATOM 0 HB ILE A 11 0.500 4.797 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.543 4.692 6.979 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.889 4.397 6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.711 4.253 4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.688 5.852 4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.643 5.727 5.865 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.114 2.297 6.757 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.196 2.430 4.984 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.649 2.730 5.967 1.00 0.00 H new ATOM 174 N ILE A 12 0.634 7.436 2.703 1.00 0.00 N ATOM 175 CA ILE A 12 1.225 8.278 1.647 1.00 0.00 C ATOM 176 C ILE A 12 0.779 9.739 1.794 1.00 0.00 C ATOM 177 O ILE A 12 1.607 10.661 1.727 1.00 0.00 O ATOM 178 CB ILE A 12 0.846 7.732 0.213 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.501 6.333 -0.009 1.00 0.00 C ATOM 180 CG2 ILE A 12 1.225 8.725 -0.916 1.00 0.00 C ATOM 181 CD1 ILE A 12 1.328 5.735 -1.393 1.00 0.00 C ATOM 0 H ILE A 12 0.040 6.689 2.343 1.00 0.00 H new ATOM 0 HA ILE A 12 2.309 8.237 1.758 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.238 7.625 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.568 6.415 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.085 5.638 0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.944 8.303 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.698 9.667 -0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.300 8.904 -0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.822 4.764 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.266 5.611 -1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.771 6.400 -2.135 1.00 0.00 H new ATOM 193 N ALA A 13 -0.536 9.923 2.008 1.00 0.00 N ATOM 194 CA ALA A 13 -1.140 11.234 2.279 1.00 0.00 C ATOM 195 C ALA A 13 -0.432 11.988 3.427 1.00 0.00 C ATOM 196 O ALA A 13 -0.067 13.154 3.277 1.00 0.00 O ATOM 197 CB ALA A 13 -2.645 11.073 2.563 1.00 0.00 C ATOM 0 H ALA A 13 -1.212 9.159 1.997 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.010 11.846 1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.084 12.050 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.133 10.626 1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.785 10.428 3.431 1.00 0.00 H new ATOM 203 N GLU A 14 -0.208 11.291 4.547 1.00 0.00 N ATOM 204 CA GLU A 14 0.461 11.848 5.738 1.00 0.00 C ATOM 205 C GLU A 14 1.950 12.149 5.477 1.00 0.00 C ATOM 206 O GLU A 14 2.474 13.159 5.965 1.00 0.00 O ATOM 207 CB GLU A 14 0.328 10.860 6.925 1.00 0.00 C ATOM 208 CG GLU A 14 -1.120 10.559 7.330 1.00 0.00 C ATOM 209 CD GLU A 14 -1.211 9.558 8.487 1.00 0.00 C ATOM 210 OE1 GLU A 14 -1.115 8.336 8.241 1.00 0.00 O ATOM 211 OE2 GLU A 14 -1.352 9.990 9.648 1.00 0.00 O ATOM 0 H GLU A 14 -0.487 10.316 4.657 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.030 12.791 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.822 9.925 6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.857 11.269 7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.614 11.487 7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.660 10.164 6.469 1.00 0.00 H new ATOM 218 N THR A 15 2.610 11.277 4.686 1.00 0.00 N ATOM 219 CA THR A 15 4.057 11.365 4.424 1.00 0.00 C ATOM 220 C THR A 15 4.381 12.609 3.574 1.00 0.00 C ATOM 221 O THR A 15 5.196 13.452 3.970 1.00 0.00 O ATOM 222 CB THR A 15 4.588 10.079 3.698 1.00 0.00 C ATOM 223 OG1 THR A 15 4.279 8.920 4.482 1.00 0.00 O ATOM 224 CG2 THR A 15 6.106 10.115 3.453 1.00 0.00 C ATOM 0 H THR A 15 2.154 10.496 4.214 1.00 0.00 H new ATOM 0 HA THR A 15 4.557 11.448 5.389 1.00 0.00 H new ATOM 0 HB THR A 15 4.094 10.040 2.727 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.310 8.775 4.483 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.415 9.200 2.948 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.354 10.974 2.830 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.627 10.197 4.407 1.00 0.00 H new ATOM 232 N CYS A 16 3.707 12.722 2.415 1.00 0.00 N ATOM 233 CA CYS A 16 3.974 13.763 1.408 1.00 0.00 C ATOM 234 C CYS A 16 3.099 15.025 1.613 1.00 0.00 C ATOM 235 O CYS A 16 3.164 15.947 0.796 1.00 0.00 O ATOM 236 CB CYS A 16 3.722 13.145 0.014 1.00 0.00 C ATOM 237 SG CYS A 16 4.733 11.683 -0.334 1.00 0.00 S ATOM 0 H CYS A 16 2.955 12.087 2.149 1.00 0.00 H new ATOM 0 HA CYS A 16 5.008 14.095 1.506 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.669 12.875 -0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.917 13.900 -0.748 1.00 0.00 H new ATOM 0 HG CYS A 16 3.971 10.720 -0.761 1.00 0.00 H new ATOM 243 N ASP A 17 2.348 15.073 2.741 1.00 0.00 N ATOM 244 CA ASP A 17 1.292 16.089 3.024 1.00 0.00 C ATOM 245 C ASP A 17 0.453 16.432 1.774 1.00 0.00 C ATOM 246 O ASP A 17 0.622 17.486 1.146 1.00 0.00 O ATOM 247 CB ASP A 17 1.870 17.363 3.693 1.00 0.00 C ATOM 248 CG ASP A 17 2.452 17.102 5.092 1.00 0.00 C ATOM 249 OD1 ASP A 17 1.671 16.799 6.021 1.00 0.00 O ATOM 250 OD2 ASP A 17 3.685 17.197 5.278 1.00 0.00 O ATOM 0 H ASP A 17 2.458 14.396 3.496 1.00 0.00 H new ATOM 0 HA ASP A 17 0.613 15.630 3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.649 17.779 3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.084 18.115 3.768 1.00 0.00 H new ATOM 255 N ILE A 18 -0.421 15.496 1.418 1.00 0.00 N ATOM 256 CA ILE A 18 -1.289 15.559 0.230 1.00 0.00 C ATOM 257 C ILE A 18 -2.677 15.002 0.627 1.00 0.00 C ATOM 258 O ILE A 18 -2.743 14.094 1.468 1.00 0.00 O ATOM 259 CB ILE A 18 -0.678 14.755 -0.999 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.205 13.330 -0.554 1.00 0.00 C ATOM 261 CG2 ILE A 18 0.473 15.544 -1.684 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.325 12.438 -1.664 1.00 0.00 C ATOM 0 H ILE A 18 -0.555 14.643 1.960 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.376 16.594 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.469 14.631 -1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.574 13.444 0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.041 12.823 -0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.866 14.963 -2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.092 16.497 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.269 15.726 -0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.624 11.477 -1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.455 12.283 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.186 12.914 -2.133 1.00 0.00 H new ATOM 274 N PRO A 19 -3.814 15.579 0.110 1.00 0.00 N ATOM 275 CA PRO A 19 -5.174 15.106 0.459 1.00 0.00 C ATOM 276 C PRO A 19 -5.385 13.614 0.109 1.00 0.00 C ATOM 277 O PRO A 19 -5.049 13.182 -0.997 1.00 0.00 O ATOM 278 CB PRO A 19 -6.124 16.035 -0.353 1.00 0.00 C ATOM 279 CG PRO A 19 -5.259 16.650 -1.413 1.00 0.00 C ATOM 280 CD PRO A 19 -3.869 16.739 -0.818 1.00 0.00 C ATOM 0 HA PRO A 19 -5.361 15.159 1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.946 15.470 -0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.568 16.799 0.285 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.258 16.042 -2.317 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.627 17.637 -1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.099 16.675 -1.586 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.717 17.681 -0.292 1.00 0.00 H new ATOM 288 N ARG A 20 -5.918 12.860 1.092 1.00 0.00 N ATOM 289 CA ARG A 20 -6.290 11.417 1.007 1.00 0.00 C ATOM 290 C ARG A 20 -6.869 10.996 -0.370 1.00 0.00 C ATOM 291 O ARG A 20 -6.489 9.950 -0.926 1.00 0.00 O ATOM 292 CB ARG A 20 -7.349 11.145 2.110 1.00 0.00 C ATOM 293 CG ARG A 20 -7.897 9.700 2.213 1.00 0.00 C ATOM 294 CD ARG A 20 -6.871 8.677 2.747 1.00 0.00 C ATOM 295 NE ARG A 20 -7.549 7.506 3.333 1.00 0.00 N ATOM 296 CZ ARG A 20 -8.101 7.482 4.561 1.00 0.00 C ATOM 297 NH1 ARG A 20 -7.896 8.475 5.426 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.830 6.447 4.937 1.00 0.00 N ATOM 0 H ARG A 20 -6.113 13.251 2.014 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.381 10.830 1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.913 11.412 3.073 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.191 11.817 1.945 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.770 9.699 2.866 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.236 9.379 1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.217 8.355 1.936 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.238 9.149 3.499 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.604 6.657 2.770 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.313 9.269 5.162 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.322 8.441 6.352 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.975 5.666 4.297 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.248 6.429 5.867 1.00 0.00 H new ATOM 312 N GLU A 21 -7.740 11.862 -0.923 1.00 0.00 N ATOM 313 CA GLU A 21 -8.556 11.558 -2.114 1.00 0.00 C ATOM 314 C GLU A 21 -7.698 11.449 -3.389 1.00 0.00 C ATOM 315 O GLU A 21 -8.030 10.677 -4.294 1.00 0.00 O ATOM 316 CB GLU A 21 -9.652 12.652 -2.287 1.00 0.00 C ATOM 317 CG GLU A 21 -9.112 14.079 -2.543 1.00 0.00 C ATOM 318 CD GLU A 21 -10.209 15.160 -2.494 1.00 0.00 C ATOM 319 OE1 GLU A 21 -10.476 15.691 -1.393 1.00 0.00 O ATOM 320 OE2 GLU A 21 -10.817 15.467 -3.547 1.00 0.00 O ATOM 0 H GLU A 21 -7.898 12.799 -0.553 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.027 10.587 -1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.299 12.370 -3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.272 12.669 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.349 14.311 -1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.626 14.107 -3.518 1.00 0.00 H new ATOM 327 N THR A 22 -6.562 12.180 -3.430 1.00 0.00 N ATOM 328 CA THR A 22 -5.716 12.269 -4.637 1.00 0.00 C ATOM 329 C THR A 22 -4.816 11.026 -4.806 1.00 0.00 C ATOM 330 O THR A 22 -4.094 10.920 -5.807 1.00 0.00 O ATOM 331 CB THR A 22 -4.837 13.574 -4.631 1.00 0.00 C ATOM 332 OG1 THR A 22 -3.964 13.604 -3.489 1.00 0.00 O ATOM 333 CG2 THR A 22 -5.709 14.841 -4.635 1.00 0.00 C ATOM 0 H THR A 22 -6.211 12.718 -2.638 1.00 0.00 H new ATOM 0 HA THR A 22 -6.396 12.312 -5.488 1.00 0.00 H new ATOM 0 HB THR A 22 -4.238 13.556 -5.541 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.496 13.536 -2.669 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.069 15.723 -4.631 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.333 14.850 -5.528 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.344 14.849 -3.749 1.00 0.00 H new ATOM 341 N ILE A 23 -4.846 10.089 -3.827 1.00 0.00 N ATOM 342 CA ILE A 23 -4.137 8.807 -3.938 1.00 0.00 C ATOM 343 C ILE A 23 -5.165 7.753 -4.410 1.00 0.00 C ATOM 344 O ILE A 23 -5.960 7.250 -3.609 1.00 0.00 O ATOM 345 CB ILE A 23 -3.449 8.349 -2.578 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.433 9.420 -2.022 1.00 0.00 C ATOM 347 CG2 ILE A 23 -2.740 6.982 -2.763 1.00 0.00 C ATOM 348 CD1 ILE A 23 -3.052 10.642 -1.358 1.00 0.00 C ATOM 0 H ILE A 23 -5.358 10.205 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.320 8.918 -4.651 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.244 8.248 -1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.778 8.931 -1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.804 9.758 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.275 6.683 -1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.471 6.230 -3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.975 7.070 -3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.261 11.309 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.682 11.166 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.656 10.327 -0.507 1.00 0.00 H new ATOM 360 N THR A 24 -5.182 7.491 -5.726 1.00 0.00 N ATOM 361 CA THR A 24 -6.111 6.536 -6.358 1.00 0.00 C ATOM 362 C THR A 24 -5.500 5.110 -6.352 1.00 0.00 C ATOM 363 O THR A 24 -4.289 4.969 -6.153 1.00 0.00 O ATOM 364 CB THR A 24 -6.439 6.997 -7.826 1.00 0.00 C ATOM 365 OG1 THR A 24 -5.252 7.010 -8.638 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.081 8.399 -7.845 1.00 0.00 C ATOM 0 H THR A 24 -4.548 7.938 -6.388 1.00 0.00 H new ATOM 0 HA THR A 24 -7.040 6.512 -5.788 1.00 0.00 H new ATOM 0 HB THR A 24 -7.149 6.278 -8.235 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.466 7.133 -8.066 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.295 8.687 -8.874 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.008 8.382 -7.273 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.394 9.120 -7.402 1.00 0.00 H new ATOM 374 N PRO A 25 -6.324 4.019 -6.547 1.00 0.00 N ATOM 375 CA PRO A 25 -5.804 2.619 -6.637 1.00 0.00 C ATOM 376 C PRO A 25 -4.775 2.415 -7.774 1.00 0.00 C ATOM 377 O PRO A 25 -3.886 1.557 -7.680 1.00 0.00 O ATOM 378 CB PRO A 25 -7.081 1.772 -6.873 1.00 0.00 C ATOM 379 CG PRO A 25 -8.196 2.616 -6.327 1.00 0.00 C ATOM 380 CD PRO A 25 -7.814 4.043 -6.634 1.00 0.00 C ATOM 0 HA PRO A 25 -5.254 2.339 -5.738 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.226 1.559 -7.932 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.021 0.812 -6.360 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.147 2.357 -6.791 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.313 2.464 -5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.155 4.348 -7.623 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.249 4.740 -5.918 1.00 0.00 H new ATOM 388 N GLU A 26 -4.886 3.251 -8.823 1.00 0.00 N ATOM 389 CA GLU A 26 -4.047 3.166 -10.034 1.00 0.00 C ATOM 390 C GLU A 26 -2.855 4.143 -9.964 1.00 0.00 C ATOM 391 O GLU A 26 -2.092 4.267 -10.930 1.00 0.00 O ATOM 392 CB GLU A 26 -4.917 3.459 -11.288 1.00 0.00 C ATOM 393 CG GLU A 26 -5.567 4.857 -11.313 1.00 0.00 C ATOM 394 CD GLU A 26 -6.339 5.137 -12.613 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.701 5.454 -13.634 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.584 5.020 -12.626 1.00 0.00 O ATOM 0 H GLU A 26 -5.566 4.011 -8.855 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.639 2.158 -10.102 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.297 3.346 -12.177 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.704 2.707 -11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.246 4.951 -10.466 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.793 5.614 -11.186 1.00 0.00 H new ATOM 403 N SER A 27 -2.690 4.817 -8.808 1.00 0.00 N ATOM 404 CA SER A 27 -1.590 5.770 -8.601 1.00 0.00 C ATOM 405 C SER A 27 -0.249 5.030 -8.543 1.00 0.00 C ATOM 406 O SER A 27 -0.065 4.134 -7.719 1.00 0.00 O ATOM 407 CB SER A 27 -1.786 6.586 -7.300 1.00 0.00 C ATOM 408 OG SER A 27 -2.823 7.541 -7.431 1.00 0.00 O ATOM 0 H SER A 27 -3.309 4.716 -8.003 1.00 0.00 H new ATOM 0 HA SER A 27 -1.590 6.461 -9.444 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.017 5.909 -6.477 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.855 7.092 -7.045 1.00 0.00 H new ATOM 0 HG SER A 27 -2.497 8.309 -7.945 1.00 0.00 H new ATOM 414 N HIS A 28 0.660 5.385 -9.452 1.00 0.00 N ATOM 415 CA HIS A 28 2.060 4.979 -9.364 1.00 0.00 C ATOM 416 C HIS A 28 2.770 5.988 -8.441 1.00 0.00 C ATOM 417 O HIS A 28 2.681 7.192 -8.684 1.00 0.00 O ATOM 418 CB HIS A 28 2.714 4.962 -10.763 1.00 0.00 C ATOM 419 CG HIS A 28 4.071 4.304 -10.786 1.00 0.00 C ATOM 420 ND1 HIS A 28 5.192 4.928 -10.293 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.416 3.067 -11.211 1.00 0.00 C ATOM 422 CE1 HIS A 28 6.176 4.063 -10.437 1.00 0.00 C ATOM 423 NE2 HIS A 28 5.753 2.920 -10.987 1.00 0.00 N ATOM 0 H HIS A 28 0.446 5.960 -10.267 1.00 0.00 H new ATOM 0 HA HIS A 28 2.142 3.969 -8.962 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.055 4.441 -11.457 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.810 5.986 -11.123 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.755 2.332 -11.647 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.198 4.254 -10.146 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.320 2.099 -11.198 1.00 0.00 H new ATOM 431 N ALA A 29 3.405 5.501 -7.364 1.00 0.00 N ATOM 432 CA ALA A 29 4.201 6.309 -6.419 1.00 0.00 C ATOM 433 C ALA A 29 5.058 7.384 -7.114 1.00 0.00 C ATOM 434 O ALA A 29 4.926 8.564 -6.815 1.00 0.00 O ATOM 435 CB ALA A 29 5.091 5.380 -5.565 1.00 0.00 C ATOM 0 H ALA A 29 3.381 4.512 -7.118 1.00 0.00 H new ATOM 0 HA ALA A 29 3.497 6.844 -5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.678 5.978 -4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.462 4.686 -5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.762 4.819 -6.216 1.00 0.00 H new ATOM 441 N ILE A 30 5.819 6.984 -8.141 1.00 0.00 N ATOM 442 CA ILE A 30 6.858 7.846 -8.743 1.00 0.00 C ATOM 443 C ILE A 30 6.251 8.670 -9.906 1.00 0.00 C ATOM 444 O ILE A 30 6.369 9.901 -9.950 1.00 0.00 O ATOM 445 CB ILE A 30 8.061 6.977 -9.275 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.603 6.032 -8.151 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.191 7.865 -9.859 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.681 5.053 -8.605 1.00 0.00 C ATOM 0 H ILE A 30 5.738 6.066 -8.578 1.00 0.00 H new ATOM 0 HA ILE A 30 7.232 8.525 -7.976 1.00 0.00 H new ATOM 0 HB ILE A 30 7.688 6.354 -10.088 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.004 6.644 -7.343 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.768 5.466 -7.738 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.003 7.232 -10.216 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.799 8.454 -10.688 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.566 8.534 -9.084 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.995 4.440 -7.760 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.282 4.411 -9.390 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.537 5.607 -8.990 1.00 0.00 H new ATOM 460 N ASP A 31 5.576 7.952 -10.818 1.00 0.00 N ATOM 461 CA ASP A 31 5.043 8.505 -12.090 1.00 0.00 C ATOM 462 C ASP A 31 3.806 9.415 -11.869 1.00 0.00 C ATOM 463 O ASP A 31 3.668 10.464 -12.515 1.00 0.00 O ATOM 464 CB ASP A 31 4.713 7.321 -13.053 1.00 0.00 C ATOM 465 CG ASP A 31 3.855 7.714 -14.276 1.00 0.00 C ATOM 466 OD1 ASP A 31 4.332 8.478 -15.139 1.00 0.00 O ATOM 467 OD2 ASP A 31 2.692 7.264 -14.373 1.00 0.00 O ATOM 0 H ASP A 31 5.379 6.958 -10.699 1.00 0.00 H new ATOM 0 HA ASP A 31 5.805 9.143 -12.538 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.647 6.884 -13.405 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.190 6.547 -12.491 1.00 0.00 H new ATOM 472 N ASP A 32 2.925 9.010 -10.944 1.00 0.00 N ATOM 473 CA ASP A 32 1.626 9.677 -10.711 1.00 0.00 C ATOM 474 C ASP A 32 1.743 10.668 -9.535 1.00 0.00 C ATOM 475 O ASP A 32 1.608 11.882 -9.717 1.00 0.00 O ATOM 476 CB ASP A 32 0.522 8.614 -10.444 1.00 0.00 C ATOM 477 CG ASP A 32 -0.886 9.210 -10.260 1.00 0.00 C ATOM 478 OD1 ASP A 32 -1.242 9.589 -9.121 1.00 0.00 O ATOM 479 OD2 ASP A 32 -1.642 9.289 -11.252 1.00 0.00 O ATOM 0 H ASP A 32 3.088 8.210 -10.333 1.00 0.00 H new ATOM 0 HA ASP A 32 1.346 10.241 -11.601 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.502 7.909 -11.275 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.786 8.047 -9.551 1.00 0.00 H new ATOM 484 N LEU A 33 2.007 10.135 -8.324 1.00 0.00 N ATOM 485 CA LEU A 33 2.043 10.923 -7.073 1.00 0.00 C ATOM 486 C LEU A 33 3.314 11.802 -6.971 1.00 0.00 C ATOM 487 O LEU A 33 3.340 12.759 -6.191 1.00 0.00 O ATOM 488 CB LEU A 33 1.933 9.957 -5.859 1.00 0.00 C ATOM 489 CG LEU A 33 0.649 9.061 -5.809 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.736 8.013 -4.683 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.634 9.915 -5.672 1.00 0.00 C ATOM 0 H LEU A 33 2.202 9.143 -8.185 1.00 0.00 H new ATOM 0 HA LEU A 33 1.195 11.608 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.807 9.306 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.975 10.548 -4.944 1.00 0.00 H new ATOM 0 HG LEU A 33 0.592 8.527 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.171 7.409 -4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.599 7.369 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.842 8.518 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.505 9.261 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.586 10.499 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.716 10.588 -6.526 1.00 0.00 H new ATOM 503 N GLY A 34 4.347 11.483 -7.782 1.00 0.00 N ATOM 504 CA GLY A 34 5.611 12.245 -7.793 1.00 0.00 C ATOM 505 C GLY A 34 6.437 12.080 -6.519 1.00 0.00 C ATOM 506 O GLY A 34 7.119 13.009 -6.081 1.00 0.00 O ATOM 0 H GLY A 34 4.328 10.702 -8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.209 11.928 -8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.387 13.302 -7.936 1.00 0.00 H new ATOM 510 N ILE A 35 6.375 10.883 -5.943 1.00 0.00 N ATOM 511 CA ILE A 35 7.099 10.507 -4.716 1.00 0.00 C ATOM 512 C ILE A 35 8.534 10.110 -5.077 1.00 0.00 C ATOM 513 O ILE A 35 8.752 9.423 -6.088 1.00 0.00 O ATOM 514 CB ILE A 35 6.372 9.299 -4.014 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.923 9.699 -3.605 1.00 0.00 C ATOM 516 CG2 ILE A 35 7.161 8.748 -2.799 1.00 0.00 C ATOM 517 CD1 ILE A 35 4.066 8.543 -3.124 1.00 0.00 C ATOM 0 H ILE A 35 5.808 10.123 -6.320 1.00 0.00 H new ATOM 0 HA ILE A 35 7.117 11.355 -4.031 1.00 0.00 H new ATOM 0 HB ILE A 35 6.323 8.489 -4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.975 10.449 -2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.434 10.168 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.612 7.917 -2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.141 8.401 -3.128 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.286 9.537 -2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.074 8.910 -2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.979 7.800 -3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.529 8.087 -2.249 1.00 0.00 H new ATOM 529 N ASP A 36 9.496 10.523 -4.240 1.00 0.00 N ATOM 530 CA ASP A 36 10.918 10.204 -4.435 1.00 0.00 C ATOM 531 C ASP A 36 11.251 8.916 -3.661 1.00 0.00 C ATOM 532 O ASP A 36 10.501 8.515 -2.764 1.00 0.00 O ATOM 533 CB ASP A 36 11.806 11.387 -3.969 1.00 0.00 C ATOM 534 CG ASP A 36 13.277 11.259 -4.409 1.00 0.00 C ATOM 535 OD1 ASP A 36 14.080 10.635 -3.683 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.633 11.767 -5.494 1.00 0.00 O ATOM 0 H ASP A 36 9.311 11.087 -3.410 1.00 0.00 H new ATOM 0 HA ASP A 36 11.120 10.042 -5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.396 12.317 -4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.764 11.457 -2.882 1.00 0.00 H new ATOM 541 N SER A 37 12.379 8.288 -4.020 1.00 0.00 N ATOM 542 CA SER A 37 12.872 7.052 -3.399 1.00 0.00 C ATOM 543 C SER A 37 13.004 7.185 -1.867 1.00 0.00 C ATOM 544 O SER A 37 12.701 6.237 -1.127 1.00 0.00 O ATOM 545 CB SER A 37 14.235 6.689 -4.015 1.00 0.00 C ATOM 546 OG SER A 37 14.148 6.609 -5.428 1.00 0.00 O ATOM 0 H SER A 37 12.986 8.632 -4.764 1.00 0.00 H new ATOM 0 HA SER A 37 12.147 6.262 -3.593 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.976 7.437 -3.734 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.577 5.735 -3.613 1.00 0.00 H new ATOM 0 HG SER A 37 15.026 6.379 -5.797 1.00 0.00 H new ATOM 552 N LEU A 38 13.425 8.387 -1.405 1.00 0.00 N ATOM 553 CA LEU A 38 13.634 8.665 0.029 1.00 0.00 C ATOM 554 C LEU A 38 12.282 8.699 0.772 1.00 0.00 C ATOM 555 O LEU A 38 12.156 8.146 1.868 1.00 0.00 O ATOM 556 CB LEU A 38 14.470 9.984 0.224 1.00 0.00 C ATOM 557 CG LEU A 38 13.843 11.351 -0.263 1.00 0.00 C ATOM 558 CD1 LEU A 38 13.043 12.061 0.855 1.00 0.00 C ATOM 559 CD2 LEU A 38 14.919 12.298 -0.855 1.00 0.00 C ATOM 0 H LEU A 38 13.626 9.181 -2.012 1.00 0.00 H new ATOM 0 HA LEU A 38 14.219 7.858 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 38 14.694 10.081 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.422 9.853 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 38 13.141 11.100 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.632 12.995 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.229 11.416 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.703 12.273 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.448 13.226 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 38 15.669 12.517 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.397 11.817 -1.709 1.00 0.00 H new ATOM 571 N ASP A 39 11.265 9.309 0.127 1.00 0.00 N ATOM 572 CA ASP A 39 9.900 9.428 0.687 1.00 0.00 C ATOM 573 C ASP A 39 9.228 8.060 0.749 1.00 0.00 C ATOM 574 O ASP A 39 8.478 7.777 1.680 1.00 0.00 O ATOM 575 CB ASP A 39 9.023 10.388 -0.156 1.00 0.00 C ATOM 576 CG ASP A 39 9.586 11.811 -0.234 1.00 0.00 C ATOM 577 OD1 ASP A 39 9.658 12.483 0.812 1.00 0.00 O ATOM 578 OD2 ASP A 39 9.957 12.266 -1.335 1.00 0.00 O ATOM 0 H ASP A 39 11.366 9.733 -0.795 1.00 0.00 H new ATOM 0 HA ASP A 39 9.996 9.836 1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.925 9.988 -1.165 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.021 10.424 0.272 1.00 0.00 H new ATOM 583 N PHE A 40 9.523 7.216 -0.259 1.00 0.00 N ATOM 584 CA PHE A 40 8.945 5.870 -0.378 1.00 0.00 C ATOM 585 C PHE A 40 9.438 4.965 0.773 1.00 0.00 C ATOM 586 O PHE A 40 8.706 4.088 1.225 1.00 0.00 O ATOM 587 CB PHE A 40 9.282 5.255 -1.763 1.00 0.00 C ATOM 588 CG PHE A 40 8.440 4.028 -2.118 1.00 0.00 C ATOM 589 CD1 PHE A 40 7.090 4.174 -2.447 1.00 0.00 C ATOM 590 CD2 PHE A 40 8.979 2.741 -2.115 1.00 0.00 C ATOM 591 CE1 PHE A 40 6.312 3.075 -2.763 1.00 0.00 C ATOM 592 CE2 PHE A 40 8.198 1.644 -2.434 1.00 0.00 C ATOM 593 CZ PHE A 40 6.867 1.810 -2.758 1.00 0.00 C ATOM 0 H PHE A 40 10.169 7.452 -1.012 1.00 0.00 H new ATOM 0 HA PHE A 40 7.860 5.947 -0.301 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.140 6.015 -2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 40 10.336 4.977 -1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.648 5.159 -2.455 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.019 2.599 -1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.270 3.206 -3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.632 0.655 -2.429 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.260 0.952 -3.007 1.00 0.00 H new ATOM 603 N LEU A 41 10.691 5.199 1.229 1.00 0.00 N ATOM 604 CA LEU A 41 11.255 4.529 2.430 1.00 0.00 C ATOM 605 C LEU A 41 10.433 4.864 3.697 1.00 0.00 C ATOM 606 O LEU A 41 10.165 3.981 4.515 1.00 0.00 O ATOM 607 CB LEU A 41 12.738 4.934 2.663 1.00 0.00 C ATOM 608 CG LEU A 41 13.758 4.546 1.548 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.198 4.941 1.953 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.652 3.045 1.186 1.00 0.00 C ATOM 0 H LEU A 41 11.336 5.851 0.782 1.00 0.00 H new ATOM 0 HA LEU A 41 11.205 3.456 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.778 6.015 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.070 4.484 3.598 1.00 0.00 H new ATOM 0 HG LEU A 41 13.506 5.110 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.889 4.660 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.248 6.018 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.472 4.424 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.376 2.807 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.859 2.442 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.646 2.828 0.826 1.00 0.00 H new ATOM 622 N ASP A 42 10.047 6.156 3.835 1.00 0.00 N ATOM 623 CA ASP A 42 9.239 6.645 4.987 1.00 0.00 C ATOM 624 C ASP A 42 7.831 6.046 4.954 1.00 0.00 C ATOM 625 O ASP A 42 7.296 5.633 5.989 1.00 0.00 O ATOM 626 CB ASP A 42 9.143 8.192 4.997 1.00 0.00 C ATOM 627 CG ASP A 42 10.502 8.868 5.213 1.00 0.00 C ATOM 628 OD1 ASP A 42 11.021 8.828 6.354 1.00 0.00 O ATOM 629 OD2 ASP A 42 11.058 9.445 4.256 1.00 0.00 O ATOM 0 H ASP A 42 10.282 6.884 3.161 1.00 0.00 H new ATOM 0 HA ASP A 42 9.746 6.324 5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.719 8.532 4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.457 8.504 5.785 1.00 0.00 H new ATOM 634 N ILE A 43 7.248 6.009 3.743 1.00 0.00 N ATOM 635 CA ILE A 43 5.939 5.375 3.484 1.00 0.00 C ATOM 636 C ILE A 43 5.971 3.899 3.907 1.00 0.00 C ATOM 637 O ILE A 43 5.100 3.438 4.639 1.00 0.00 O ATOM 638 CB ILE A 43 5.553 5.479 1.955 1.00 0.00 C ATOM 639 CG1 ILE A 43 5.366 6.970 1.546 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.297 4.634 1.598 1.00 0.00 C ATOM 641 CD1 ILE A 43 5.211 7.210 0.059 1.00 0.00 C ATOM 0 H ILE A 43 7.672 6.419 2.911 1.00 0.00 H new ATOM 0 HA ILE A 43 5.187 5.904 4.070 1.00 0.00 H new ATOM 0 HB ILE A 43 6.378 5.058 1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.487 7.364 2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.224 7.540 1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.076 4.741 0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.488 3.585 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.446 4.983 2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.087 8.277 -0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.099 6.852 -0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.335 6.674 -0.307 1.00 0.00 H new ATOM 653 N ALA A 44 7.036 3.206 3.484 1.00 0.00 N ATOM 654 CA ALA A 44 7.190 1.757 3.656 1.00 0.00 C ATOM 655 C ALA A 44 7.422 1.390 5.137 1.00 0.00 C ATOM 656 O ALA A 44 6.921 0.372 5.621 1.00 0.00 O ATOM 657 CB ALA A 44 8.356 1.273 2.781 1.00 0.00 C ATOM 0 H ALA A 44 7.825 3.642 3.007 1.00 0.00 H new ATOM 0 HA ALA A 44 6.271 1.260 3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.479 0.197 2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.145 1.499 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.273 1.779 3.084 1.00 0.00 H new ATOM 663 N PHE A 45 8.204 2.238 5.831 1.00 0.00 N ATOM 664 CA PHE A 45 8.456 2.129 7.281 1.00 0.00 C ATOM 665 C PHE A 45 7.148 2.268 8.077 1.00 0.00 C ATOM 666 O PHE A 45 6.901 1.517 9.030 1.00 0.00 O ATOM 667 CB PHE A 45 9.482 3.211 7.716 1.00 0.00 C ATOM 668 CG PHE A 45 9.837 3.199 9.205 1.00 0.00 C ATOM 669 CD1 PHE A 45 10.523 2.122 9.759 1.00 0.00 C ATOM 670 CD2 PHE A 45 9.493 4.259 10.044 1.00 0.00 C ATOM 671 CE1 PHE A 45 10.852 2.103 11.098 1.00 0.00 C ATOM 672 CE2 PHE A 45 9.823 4.239 11.387 1.00 0.00 C ATOM 673 CZ PHE A 45 10.502 3.160 11.912 1.00 0.00 C ATOM 0 H PHE A 45 8.684 3.026 5.397 1.00 0.00 H new ATOM 0 HA PHE A 45 8.869 1.143 7.493 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.396 3.077 7.138 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.084 4.193 7.460 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.802 1.289 9.131 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.961 5.107 9.639 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.385 1.259 11.510 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.549 5.067 12.024 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.760 3.142 12.961 1.00 0.00 H new ATOM 683 N ALA A 46 6.315 3.232 7.656 1.00 0.00 N ATOM 684 CA ALA A 46 5.005 3.492 8.275 1.00 0.00 C ATOM 685 C ALA A 46 4.010 2.350 7.974 1.00 0.00 C ATOM 686 O ALA A 46 3.109 2.081 8.770 1.00 0.00 O ATOM 687 CB ALA A 46 4.455 4.845 7.803 1.00 0.00 C ATOM 0 H ALA A 46 6.530 3.854 6.877 1.00 0.00 H new ATOM 0 HA ALA A 46 5.137 3.533 9.356 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.486 5.026 8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.147 5.638 8.087 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.341 4.833 6.719 1.00 0.00 H new ATOM 693 N ILE A 47 4.191 1.688 6.816 1.00 0.00 N ATOM 694 CA ILE A 47 3.427 0.475 6.440 1.00 0.00 C ATOM 695 C ILE A 47 3.770 -0.689 7.390 1.00 0.00 C ATOM 696 O ILE A 47 2.870 -1.408 7.848 1.00 0.00 O ATOM 697 CB ILE A 47 3.700 0.063 4.938 1.00 0.00 C ATOM 698 CG1 ILE A 47 3.091 1.110 3.949 1.00 0.00 C ATOM 699 CG2 ILE A 47 3.176 -1.361 4.622 1.00 0.00 C ATOM 700 CD1 ILE A 47 3.498 0.938 2.492 1.00 0.00 C ATOM 0 H ILE A 47 4.870 1.976 6.112 1.00 0.00 H new ATOM 0 HA ILE A 47 2.366 0.705 6.533 1.00 0.00 H new ATOM 0 HB ILE A 47 4.781 0.049 4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.004 1.059 4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.383 2.108 4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.385 -1.603 3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.674 -2.084 5.269 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.101 -1.400 4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.024 1.712 1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.581 1.022 2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.181 -0.043 2.139 1.00 0.00 H new ATOM 712 N ASP A 48 5.075 -0.852 7.688 1.00 0.00 N ATOM 713 CA ASP A 48 5.562 -1.900 8.612 1.00 0.00 C ATOM 714 C ASP A 48 4.925 -1.747 9.997 1.00 0.00 C ATOM 715 O ASP A 48 4.548 -2.731 10.626 1.00 0.00 O ATOM 716 CB ASP A 48 7.100 -1.849 8.777 1.00 0.00 C ATOM 717 CG ASP A 48 7.897 -1.984 7.478 1.00 0.00 C ATOM 718 OD1 ASP A 48 7.530 -2.803 6.614 1.00 0.00 O ATOM 719 OD2 ASP A 48 8.930 -1.293 7.334 1.00 0.00 O ATOM 0 H ASP A 48 5.816 -0.268 7.300 1.00 0.00 H new ATOM 0 HA ASP A 48 5.279 -2.857 8.173 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.368 -0.906 9.253 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.404 -2.646 9.456 1.00 0.00 H new ATOM 724 N LYS A 49 4.821 -0.489 10.447 1.00 0.00 N ATOM 725 CA LYS A 49 4.258 -0.144 11.763 1.00 0.00 C ATOM 726 C LYS A 49 2.736 -0.423 11.793 1.00 0.00 C ATOM 727 O LYS A 49 2.249 -1.167 12.659 1.00 0.00 O ATOM 728 CB LYS A 49 4.553 1.352 12.084 1.00 0.00 C ATOM 729 CG LYS A 49 6.057 1.698 12.168 1.00 0.00 C ATOM 730 CD LYS A 49 6.332 3.199 12.422 1.00 0.00 C ATOM 731 CE LYS A 49 5.788 3.691 13.777 1.00 0.00 C ATOM 732 NZ LYS A 49 6.427 2.998 14.926 1.00 0.00 N ATOM 0 H LYS A 49 5.125 0.322 9.908 1.00 0.00 H new ATOM 0 HA LYS A 49 4.727 -0.766 12.525 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.091 1.974 11.318 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.079 1.609 13.031 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.512 1.113 12.967 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.543 1.400 11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.407 3.377 12.382 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.881 3.786 11.621 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.955 4.765 13.865 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.710 3.532 13.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.105 3.431 15.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.163 1.992 14.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.461 3.085 14.853 1.00 0.00 H new ATOM 746 N ALA A 50 2.019 0.163 10.812 1.00 0.00 N ATOM 747 CA ALA A 50 0.543 0.090 10.704 1.00 0.00 C ATOM 748 C ALA A 50 0.023 -1.352 10.588 1.00 0.00 C ATOM 749 O ALA A 50 -0.867 -1.774 11.339 1.00 0.00 O ATOM 750 CB ALA A 50 0.072 0.905 9.488 1.00 0.00 C ATOM 0 H ALA A 50 2.451 0.706 10.064 1.00 0.00 H new ATOM 0 HA ALA A 50 0.135 0.506 11.625 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.014 0.849 9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.374 1.945 9.608 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.521 0.499 8.582 1.00 0.00 H new ATOM 756 N PHE A 51 0.580 -2.085 9.624 1.00 0.00 N ATOM 757 CA PHE A 51 0.146 -3.451 9.290 1.00 0.00 C ATOM 758 C PHE A 51 0.908 -4.508 10.104 1.00 0.00 C ATOM 759 O PHE A 51 0.576 -5.693 10.022 1.00 0.00 O ATOM 760 CB PHE A 51 0.319 -3.694 7.773 1.00 0.00 C ATOM 761 CG PHE A 51 -0.526 -2.756 6.912 1.00 0.00 C ATOM 762 CD1 PHE A 51 -1.843 -3.078 6.587 1.00 0.00 C ATOM 763 CD2 PHE A 51 -0.006 -1.560 6.420 1.00 0.00 C ATOM 764 CE1 PHE A 51 -2.607 -2.231 5.814 1.00 0.00 C ATOM 765 CE2 PHE A 51 -0.774 -0.716 5.646 1.00 0.00 C ATOM 766 CZ PHE A 51 -2.068 -1.058 5.335 1.00 0.00 C ATOM 0 H PHE A 51 1.351 -1.750 9.046 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.908 -3.548 9.552 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.369 -3.571 7.509 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.052 -4.726 7.544 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.270 -4.003 6.946 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.014 -1.290 6.649 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.630 -2.488 5.583 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.359 0.213 5.284 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.663 -0.405 4.714 1.00 0.00 H new ATOM 776 N GLY A 52 1.931 -4.070 10.876 1.00 0.00 N ATOM 777 CA GLY A 52 2.701 -4.962 11.757 1.00 0.00 C ATOM 778 C GLY A 52 3.571 -5.964 10.998 1.00 0.00 C ATOM 779 O GLY A 52 3.787 -7.088 11.466 1.00 0.00 O ATOM 0 H GLY A 52 2.238 -3.098 10.902 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.336 -4.359 12.406 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.012 -5.507 12.402 1.00 0.00 H new ATOM 783 N ILE A 53 4.058 -5.554 9.817 1.00 0.00 N ATOM 784 CA ILE A 53 4.774 -6.441 8.876 1.00 0.00 C ATOM 785 C ILE A 53 6.217 -5.980 8.632 1.00 0.00 C ATOM 786 O ILE A 53 6.697 -5.024 9.234 1.00 0.00 O ATOM 787 CB ILE A 53 4.018 -6.555 7.497 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.804 -5.151 6.837 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.682 -7.314 7.655 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.295 -5.209 5.416 1.00 0.00 C ATOM 0 H ILE A 53 3.968 -4.595 9.483 1.00 0.00 H new ATOM 0 HA ILE A 53 4.802 -7.424 9.347 1.00 0.00 H new ATOM 0 HB ILE A 53 4.651 -7.134 6.824 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.098 -4.581 7.441 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.748 -4.607 6.851 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.183 -7.377 6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.877 -8.319 8.029 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.042 -6.782 8.359 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.173 -4.196 5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.010 -5.749 4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.334 -5.723 5.394 1.00 0.00 H new ATOM 802 N LYS A 54 6.897 -6.736 7.770 1.00 0.00 N ATOM 803 CA LYS A 54 8.216 -6.424 7.232 1.00 0.00 C ATOM 804 C LYS A 54 8.118 -6.492 5.703 1.00 0.00 C ATOM 805 O LYS A 54 7.958 -7.584 5.144 1.00 0.00 O ATOM 806 CB LYS A 54 9.262 -7.446 7.783 1.00 0.00 C ATOM 807 CG LYS A 54 10.656 -7.407 7.101 1.00 0.00 C ATOM 808 CD LYS A 54 11.587 -8.541 7.602 1.00 0.00 C ATOM 809 CE LYS A 54 12.902 -8.657 6.806 1.00 0.00 C ATOM 810 NZ LYS A 54 13.752 -7.447 6.920 1.00 0.00 N ATOM 0 H LYS A 54 6.527 -7.618 7.415 1.00 0.00 H new ATOM 0 HA LYS A 54 8.542 -5.428 7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.393 -7.266 8.850 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.853 -8.451 7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.532 -7.491 6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.126 -6.442 7.294 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.822 -8.369 8.652 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.053 -9.490 7.546 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.461 -9.523 7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.671 -8.835 5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.622 -7.580 6.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.233 -6.622 6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.998 -7.289 7.918 1.00 0.00 H new ATOM 824 N LEU A 55 8.132 -5.329 5.036 1.00 0.00 N ATOM 825 CA LEU A 55 8.243 -5.270 3.577 1.00 0.00 C ATOM 826 C LEU A 55 9.690 -5.638 3.183 1.00 0.00 C ATOM 827 O LEU A 55 10.635 -5.041 3.719 1.00 0.00 O ATOM 828 CB LEU A 55 7.914 -3.851 3.019 1.00 0.00 C ATOM 829 CG LEU A 55 6.489 -3.275 3.304 1.00 0.00 C ATOM 830 CD1 LEU A 55 6.344 -1.849 2.726 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.384 -4.197 2.756 1.00 0.00 C ATOM 0 H LEU A 55 8.068 -4.417 5.488 1.00 0.00 H new ATOM 0 HA LEU A 55 7.523 -5.969 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.646 -3.152 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.058 -3.873 1.939 1.00 0.00 H new ATOM 0 HG LEU A 55 6.370 -3.222 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.344 -1.471 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.084 -1.194 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.501 -1.876 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.408 -3.764 2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.502 -4.305 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.460 -5.176 3.229 1.00 0.00 H new ATOM 843 N PRO A 56 9.902 -6.640 2.281 1.00 0.00 N ATOM 844 CA PRO A 56 11.192 -6.828 1.581 1.00 0.00 C ATOM 845 C PRO A 56 11.346 -5.758 0.483 1.00 0.00 C ATOM 846 O PRO A 56 11.471 -6.061 -0.701 1.00 0.00 O ATOM 847 CB PRO A 56 11.094 -8.282 1.018 1.00 0.00 C ATOM 848 CG PRO A 56 9.872 -8.865 1.667 1.00 0.00 C ATOM 849 CD PRO A 56 8.949 -7.700 1.907 1.00 0.00 C ATOM 0 HA PRO A 56 12.072 -6.713 2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.002 -8.280 -0.068 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.985 -8.861 1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.404 -9.610 1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.125 -9.364 2.602 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.376 -7.441 1.017 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.230 -7.903 2.701 1.00 0.00 H new ATOM 857 N LEU A 57 11.339 -4.495 0.930 1.00 0.00 N ATOM 858 CA LEU A 57 11.290 -3.296 0.079 1.00 0.00 C ATOM 859 C LEU A 57 12.591 -3.202 -0.742 1.00 0.00 C ATOM 860 O LEU A 57 12.561 -2.873 -1.931 1.00 0.00 O ATOM 861 CB LEU A 57 11.072 -2.045 1.008 1.00 0.00 C ATOM 862 CG LEU A 57 10.421 -0.757 0.402 1.00 0.00 C ATOM 863 CD1 LEU A 57 11.310 -0.060 -0.640 1.00 0.00 C ATOM 864 CD2 LEU A 57 9.020 -1.060 -0.159 1.00 0.00 C ATOM 0 H LEU A 57 11.368 -4.271 1.925 1.00 0.00 H new ATOM 0 HA LEU A 57 10.465 -3.342 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.454 -2.362 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.043 -1.763 1.415 1.00 0.00 H new ATOM 0 HG LEU A 57 10.316 -0.048 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.800 0.825 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.251 0.235 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.511 -0.745 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.589 -0.149 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.097 -1.814 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.380 -1.432 0.641 1.00 0.00 H new ATOM 876 N GLU A 58 13.720 -3.527 -0.080 1.00 0.00 N ATOM 877 CA GLU A 58 15.053 -3.585 -0.713 1.00 0.00 C ATOM 878 C GLU A 58 15.076 -4.616 -1.861 1.00 0.00 C ATOM 879 O GLU A 58 15.625 -4.347 -2.925 1.00 0.00 O ATOM 880 CB GLU A 58 16.137 -3.929 0.351 1.00 0.00 C ATOM 881 CG GLU A 58 15.975 -5.319 1.013 1.00 0.00 C ATOM 882 CD GLU A 58 16.967 -5.588 2.150 1.00 0.00 C ATOM 883 OE1 GLU A 58 18.085 -6.074 1.884 1.00 0.00 O ATOM 884 OE2 GLU A 58 16.632 -5.315 3.326 1.00 0.00 O ATOM 0 H GLU A 58 13.732 -3.758 0.913 1.00 0.00 H new ATOM 0 HA GLU A 58 15.274 -2.606 -1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.118 -3.878 -0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.118 -3.166 1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.960 -5.409 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.094 -6.089 0.251 1.00 0.00 H new ATOM 891 N LYS A 59 14.446 -5.780 -1.614 1.00 0.00 N ATOM 892 CA LYS A 59 14.359 -6.902 -2.569 1.00 0.00 C ATOM 893 C LYS A 59 13.589 -6.466 -3.824 1.00 0.00 C ATOM 894 O LYS A 59 14.051 -6.666 -4.951 1.00 0.00 O ATOM 895 CB LYS A 59 13.660 -8.107 -1.869 1.00 0.00 C ATOM 896 CG LYS A 59 13.263 -9.294 -2.778 1.00 0.00 C ATOM 897 CD LYS A 59 14.476 -10.001 -3.423 1.00 0.00 C ATOM 898 CE LYS A 59 14.065 -11.223 -4.255 1.00 0.00 C ATOM 899 NZ LYS A 59 15.236 -11.901 -4.861 1.00 0.00 N ATOM 0 H LYS A 59 13.975 -5.971 -0.730 1.00 0.00 H new ATOM 0 HA LYS A 59 15.358 -7.206 -2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.323 -8.481 -1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.761 -7.740 -1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.698 -10.019 -2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.600 -8.934 -3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.009 -9.294 -4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.169 -10.313 -2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.525 -11.928 -3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.379 -10.911 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.915 -12.721 -5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.737 -11.237 -5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.879 -12.222 -4.109 1.00 0.00 H new ATOM 913 N TRP A 60 12.440 -5.820 -3.580 1.00 0.00 N ATOM 914 CA TRP A 60 11.539 -5.312 -4.629 1.00 0.00 C ATOM 915 C TRP A 60 12.256 -4.290 -5.520 1.00 0.00 C ATOM 916 O TRP A 60 12.175 -4.350 -6.754 1.00 0.00 O ATOM 917 CB TRP A 60 10.293 -4.671 -3.971 1.00 0.00 C ATOM 918 CG TRP A 60 9.433 -5.631 -3.175 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.500 -7.001 -3.157 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.352 -5.277 -2.311 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.542 -7.503 -2.319 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.827 -6.470 -1.790 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.788 -4.065 -1.914 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.756 -6.493 -0.910 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.723 -4.087 -1.038 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.223 -5.295 -0.538 1.00 0.00 C ATOM 0 H TRP A 60 12.104 -5.632 -2.635 1.00 0.00 H new ATOM 0 HA TRP A 60 11.228 -6.145 -5.259 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.620 -3.866 -3.313 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.681 -4.217 -4.750 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.204 -7.595 -3.721 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.388 -8.492 -2.122 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.177 -3.128 -2.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.359 -7.424 -0.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.267 -3.157 -0.733 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.397 -5.277 0.158 1.00 0.00 H new ATOM 937 N THR A 61 12.986 -3.381 -4.860 1.00 0.00 N ATOM 938 CA THR A 61 13.765 -2.331 -5.517 1.00 0.00 C ATOM 939 C THR A 61 14.932 -2.940 -6.340 1.00 0.00 C ATOM 940 O THR A 61 15.215 -2.475 -7.438 1.00 0.00 O ATOM 941 CB THR A 61 14.302 -1.311 -4.458 1.00 0.00 C ATOM 942 OG1 THR A 61 13.197 -0.738 -3.731 1.00 0.00 O ATOM 943 CG2 THR A 61 15.130 -0.181 -5.083 1.00 0.00 C ATOM 0 H THR A 61 13.051 -3.357 -3.842 1.00 0.00 H new ATOM 0 HA THR A 61 13.112 -1.799 -6.209 1.00 0.00 H new ATOM 0 HB THR A 61 14.959 -1.867 -3.790 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.874 -1.382 -3.066 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.475 0.494 -4.299 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.990 -0.604 -5.602 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.514 0.371 -5.793 1.00 0.00 H new ATOM 951 N GLN A 62 15.551 -4.023 -5.823 1.00 0.00 N ATOM 952 CA GLN A 62 16.674 -4.713 -6.502 1.00 0.00 C ATOM 953 C GLN A 62 16.192 -5.426 -7.779 1.00 0.00 C ATOM 954 O GLN A 62 16.913 -5.456 -8.773 1.00 0.00 O ATOM 955 CB GLN A 62 17.364 -5.730 -5.547 1.00 0.00 C ATOM 956 CG GLN A 62 18.243 -5.089 -4.456 1.00 0.00 C ATOM 957 CD GLN A 62 18.812 -6.112 -3.463 1.00 0.00 C ATOM 958 OE1 GLN A 62 19.892 -6.667 -3.667 1.00 0.00 O ATOM 959 NE2 GLN A 62 18.090 -6.365 -2.379 1.00 0.00 N ATOM 0 H GLN A 62 15.291 -4.443 -4.930 1.00 0.00 H new ATOM 0 HA GLN A 62 17.404 -3.955 -6.784 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.596 -6.336 -5.067 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.979 -6.406 -6.140 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.066 -4.554 -4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.655 -4.351 -3.911 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.199 -5.889 -2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.426 -7.035 -1.687 1.00 0.00 H new ATOM 968 N GLU A 63 14.979 -6.001 -7.721 1.00 0.00 N ATOM 969 CA GLU A 63 14.332 -6.660 -8.874 1.00 0.00 C ATOM 970 C GLU A 63 14.027 -5.652 -9.993 1.00 0.00 C ATOM 971 O GLU A 63 14.183 -5.963 -11.174 1.00 0.00 O ATOM 972 CB GLU A 63 13.036 -7.372 -8.423 1.00 0.00 C ATOM 973 CG GLU A 63 13.270 -8.545 -7.457 1.00 0.00 C ATOM 974 CD GLU A 63 11.964 -9.106 -6.885 1.00 0.00 C ATOM 975 OE1 GLU A 63 11.457 -8.551 -5.887 1.00 0.00 O ATOM 976 OE2 GLU A 63 11.413 -10.079 -7.450 1.00 0.00 O ATOM 0 H GLU A 63 14.416 -6.023 -6.871 1.00 0.00 H new ATOM 0 HA GLU A 63 15.024 -7.402 -9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.382 -6.644 -7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.510 -7.740 -9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.805 -9.339 -7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.909 -8.215 -6.638 1.00 0.00 H new ATOM 983 N VAL A 64 13.598 -4.446 -9.604 1.00 0.00 N ATOM 984 CA VAL A 64 13.351 -3.348 -10.552 1.00 0.00 C ATOM 985 C VAL A 64 14.676 -2.900 -11.219 1.00 0.00 C ATOM 986 O VAL A 64 14.766 -2.800 -12.450 1.00 0.00 O ATOM 987 CB VAL A 64 12.654 -2.129 -9.848 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.516 -0.935 -10.818 1.00 0.00 C ATOM 989 CG2 VAL A 64 11.274 -2.532 -9.260 1.00 0.00 C ATOM 0 H VAL A 64 13.413 -4.202 -8.631 1.00 0.00 H new ATOM 0 HA VAL A 64 12.676 -3.720 -11.323 1.00 0.00 H new ATOM 0 HB VAL A 64 13.289 -1.817 -9.019 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.030 -0.104 -10.306 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.505 -0.625 -11.156 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.915 -1.232 -11.678 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.817 -1.667 -8.779 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.626 -2.886 -10.062 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.409 -3.326 -8.525 1.00 0.00 H new ATOM 999 N ASN A 65 15.694 -2.654 -10.377 1.00 0.00 N ATOM 1000 CA ASN A 65 17.048 -2.238 -10.808 1.00 0.00 C ATOM 1001 C ASN A 65 17.722 -3.289 -11.721 1.00 0.00 C ATOM 1002 O ASN A 65 18.515 -2.938 -12.601 1.00 0.00 O ATOM 1003 CB ASN A 65 17.945 -1.959 -9.560 1.00 0.00 C ATOM 1004 CG ASN A 65 17.524 -0.725 -8.740 1.00 0.00 C ATOM 1005 OD1 ASN A 65 16.376 -0.283 -8.780 1.00 0.00 O ATOM 1006 ND2 ASN A 65 18.449 -0.190 -7.954 1.00 0.00 N ATOM 0 H ASN A 65 15.603 -2.738 -9.365 1.00 0.00 H new ATOM 0 HA ASN A 65 16.936 -1.324 -11.392 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.928 -2.835 -8.911 1.00 0.00 H new ATOM 0 HB3 ASN A 65 18.975 -1.827 -9.890 1.00 0.00 H new ATOM 0 HD21 ASN A 65 18.216 0.608 -7.363 1.00 0.00 H new ATOM 0 HD22 ASN A 65 19.393 -0.577 -7.941 1.00 0.00 H new ATOM 1013 N ASP A 66 17.412 -4.580 -11.492 1.00 0.00 N ATOM 1014 CA ASP A 66 17.980 -5.715 -12.265 1.00 0.00 C ATOM 1015 C ASP A 66 17.065 -6.123 -13.449 1.00 0.00 C ATOM 1016 O ASP A 66 17.393 -7.027 -14.221 1.00 0.00 O ATOM 1017 CB ASP A 66 18.203 -6.911 -11.291 1.00 0.00 C ATOM 1018 CG ASP A 66 19.001 -8.079 -11.901 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.242 -7.996 -11.952 1.00 0.00 O ATOM 1020 OD2 ASP A 66 18.387 -9.088 -12.319 1.00 0.00 O ATOM 0 H ASP A 66 16.759 -4.872 -10.765 1.00 0.00 H new ATOM 0 HA ASP A 66 18.930 -5.409 -12.703 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.726 -6.551 -10.405 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.233 -7.282 -10.960 1.00 0.00 H new ATOM 1025 N GLY A 67 15.934 -5.415 -13.613 1.00 0.00 N ATOM 1026 CA GLY A 67 14.960 -5.719 -14.673 1.00 0.00 C ATOM 1027 C GLY A 67 14.224 -7.064 -14.531 1.00 0.00 C ATOM 1028 O GLY A 67 13.634 -7.543 -15.508 1.00 0.00 O ATOM 0 H GLY A 67 15.672 -4.626 -13.022 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.219 -4.920 -14.701 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.478 -5.707 -15.632 1.00 0.00 H new ATOM 1032 N LYS A 68 14.254 -7.671 -13.319 1.00 0.00 N ATOM 1033 CA LYS A 68 13.455 -8.878 -12.997 1.00 0.00 C ATOM 1034 C LYS A 68 11.951 -8.550 -13.055 1.00 0.00 C ATOM 1035 O LYS A 68 11.139 -9.389 -13.455 1.00 0.00 O ATOM 1036 CB LYS A 68 13.791 -9.421 -11.585 1.00 0.00 C ATOM 1037 CG LYS A 68 15.209 -9.985 -11.409 1.00 0.00 C ATOM 1038 CD LYS A 68 15.375 -10.704 -10.047 1.00 0.00 C ATOM 1039 CE LYS A 68 16.748 -11.357 -9.872 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.829 -10.360 -9.746 1.00 0.00 N ATOM 0 H LYS A 68 14.828 -7.340 -12.543 1.00 0.00 H new ATOM 0 HA LYS A 68 13.704 -9.640 -13.736 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.647 -8.617 -10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.075 -10.204 -11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.426 -10.683 -12.218 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.935 -9.175 -11.484 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.217 -9.985 -9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.602 -11.467 -9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.736 -11.991 -8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.951 -12.005 -10.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.606 -10.760 -9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.181 -10.108 -10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.463 -9.508 -9.274 1.00 0.00 H new ATOM 1054 N ALA A 69 11.613 -7.310 -12.673 1.00 0.00 N ATOM 1055 CA ALA A 69 10.236 -6.798 -12.669 1.00 0.00 C ATOM 1056 C ALA A 69 10.264 -5.290 -12.948 1.00 0.00 C ATOM 1057 O ALA A 69 11.331 -4.662 -12.890 1.00 0.00 O ATOM 1058 CB ALA A 69 9.542 -7.109 -11.326 1.00 0.00 C ATOM 0 H ALA A 69 12.298 -6.625 -12.354 1.00 0.00 H new ATOM 0 HA ALA A 69 9.659 -7.292 -13.451 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.523 -6.721 -11.344 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.517 -8.188 -11.171 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.095 -6.638 -10.513 1.00 0.00 H new ATOM 1064 N THR A 70 9.093 -4.720 -13.257 1.00 0.00 N ATOM 1065 CA THR A 70 8.951 -3.275 -13.505 1.00 0.00 C ATOM 1066 C THR A 70 8.724 -2.531 -12.176 1.00 0.00 C ATOM 1067 O THR A 70 8.402 -3.163 -11.152 1.00 0.00 O ATOM 1068 CB THR A 70 7.774 -2.987 -14.501 1.00 0.00 C ATOM 1069 OG1 THR A 70 6.534 -3.470 -13.970 1.00 0.00 O ATOM 1070 CG2 THR A 70 8.012 -3.628 -15.885 1.00 0.00 C ATOM 0 H THR A 70 8.220 -5.241 -13.342 1.00 0.00 H new ATOM 0 HA THR A 70 9.873 -2.914 -13.961 1.00 0.00 H new ATOM 0 HB THR A 70 7.729 -1.905 -14.627 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.811 -3.280 -14.604 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.171 -3.402 -16.540 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.928 -3.227 -16.319 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.105 -4.708 -15.774 1.00 0.00 H new ATOM 1078 N THR A 71 8.908 -1.189 -12.195 1.00 0.00 N ATOM 1079 CA THR A 71 8.586 -0.312 -11.048 1.00 0.00 C ATOM 1080 C THR A 71 7.131 -0.536 -10.621 1.00 0.00 C ATOM 1081 O THR A 71 6.856 -0.806 -9.463 1.00 0.00 O ATOM 1082 CB THR A 71 8.772 1.207 -11.401 1.00 0.00 C ATOM 1083 OG1 THR A 71 8.000 1.533 -12.577 1.00 0.00 O ATOM 1084 CG2 THR A 71 10.235 1.588 -11.635 1.00 0.00 C ATOM 0 H THR A 71 9.282 -0.688 -13.001 1.00 0.00 H new ATOM 0 HA THR A 71 9.272 -0.567 -10.241 1.00 0.00 H new ATOM 0 HB THR A 71 8.421 1.777 -10.541 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.117 2.482 -12.793 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.301 2.649 -11.875 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.813 1.383 -10.734 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.635 1.003 -12.463 1.00 0.00 H new ATOM 1092 N GLU A 72 6.250 -0.500 -11.626 1.00 0.00 N ATOM 1093 CA GLU A 72 4.789 -0.651 -11.502 1.00 0.00 C ATOM 1094 C GLU A 72 4.364 -1.791 -10.540 1.00 0.00 C ATOM 1095 O GLU A 72 3.538 -1.581 -9.640 1.00 0.00 O ATOM 1096 CB GLU A 72 4.211 -0.909 -12.919 1.00 0.00 C ATOM 1097 CG GLU A 72 4.625 0.139 -13.979 1.00 0.00 C ATOM 1098 CD GLU A 72 4.303 -0.297 -15.416 1.00 0.00 C ATOM 1099 OE1 GLU A 72 4.989 -1.212 -15.933 1.00 0.00 O ATOM 1100 OE2 GLU A 72 3.365 0.253 -16.032 1.00 0.00 O ATOM 0 H GLU A 72 6.545 -0.359 -12.592 1.00 0.00 H new ATOM 0 HA GLU A 72 4.393 0.267 -11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.533 -1.895 -13.255 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.123 -0.933 -12.855 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.117 1.080 -13.769 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.695 0.329 -13.895 1.00 0.00 H new ATOM 1107 N GLN A 73 5.003 -2.965 -10.716 1.00 0.00 N ATOM 1108 CA GLN A 73 4.696 -4.199 -9.952 1.00 0.00 C ATOM 1109 C GLN A 73 4.739 -4.001 -8.420 1.00 0.00 C ATOM 1110 O GLN A 73 4.051 -4.710 -7.680 1.00 0.00 O ATOM 1111 CB GLN A 73 5.670 -5.344 -10.346 1.00 0.00 C ATOM 1112 CG GLN A 73 5.681 -5.741 -11.839 1.00 0.00 C ATOM 1113 CD GLN A 73 4.361 -6.331 -12.376 1.00 0.00 C ATOM 1114 OE1 GLN A 73 3.260 -5.977 -11.955 1.00 0.00 O ATOM 1115 NE2 GLN A 73 4.475 -7.261 -13.311 1.00 0.00 N ATOM 0 H GLN A 73 5.753 -3.088 -11.397 1.00 0.00 H new ATOM 0 HA GLN A 73 3.672 -4.464 -10.217 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.680 -5.049 -10.062 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.418 -6.227 -9.758 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.933 -4.860 -12.430 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.476 -6.469 -11.998 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.398 -7.538 -13.645 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.640 -7.700 -13.698 1.00 0.00 H new ATOM 1124 N TYR A 74 5.565 -3.056 -7.948 1.00 0.00 N ATOM 1125 CA TYR A 74 5.726 -2.781 -6.503 1.00 0.00 C ATOM 1126 C TYR A 74 5.376 -1.332 -6.142 1.00 0.00 C ATOM 1127 O TYR A 74 5.078 -1.037 -4.979 1.00 0.00 O ATOM 1128 CB TYR A 74 7.187 -3.087 -6.083 1.00 0.00 C ATOM 1129 CG TYR A 74 7.640 -4.506 -6.440 1.00 0.00 C ATOM 1130 CD1 TYR A 74 7.031 -5.615 -5.848 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.658 -4.740 -7.372 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.418 -6.892 -6.166 1.00 0.00 C ATOM 1133 CE2 TYR A 74 9.043 -6.027 -7.696 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.422 -7.094 -7.085 1.00 0.00 C ATOM 1135 OH TYR A 74 8.791 -8.378 -7.402 1.00 0.00 O ATOM 0 H TYR A 74 6.138 -2.462 -8.547 1.00 0.00 H new ATOM 0 HA TYR A 74 5.032 -3.425 -5.963 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.853 -2.370 -6.563 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.285 -2.942 -5.007 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.241 -5.464 -5.127 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.150 -3.903 -7.845 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.936 -7.737 -5.696 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.824 -6.195 -8.422 1.00 0.00 H new ATOM 0 HH TYR A 74 9.512 -8.357 -8.066 1.00 0.00 H new ATOM 1145 N PHE A 75 5.406 -0.421 -7.131 1.00 0.00 N ATOM 1146 CA PHE A 75 5.315 1.037 -6.900 1.00 0.00 C ATOM 1147 C PHE A 75 3.972 1.596 -7.419 1.00 0.00 C ATOM 1148 O PHE A 75 3.845 2.797 -7.599 1.00 0.00 O ATOM 1149 CB PHE A 75 6.516 1.771 -7.586 1.00 0.00 C ATOM 1150 CG PHE A 75 7.900 1.536 -6.955 1.00 0.00 C ATOM 1151 CD1 PHE A 75 8.584 0.326 -7.122 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.532 2.538 -6.216 1.00 0.00 C ATOM 1153 CE1 PHE A 75 9.841 0.131 -6.573 1.00 0.00 C ATOM 1154 CE2 PHE A 75 9.788 2.340 -5.667 1.00 0.00 C ATOM 1155 CZ PHE A 75 10.442 1.136 -5.845 1.00 0.00 C ATOM 0 H PHE A 75 5.494 -0.673 -8.116 1.00 0.00 H new ATOM 0 HA PHE A 75 5.362 1.216 -5.826 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.557 1.460 -8.630 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.313 2.842 -7.580 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.124 -0.470 -7.689 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.033 3.484 -6.070 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.351 -0.810 -6.716 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.258 3.129 -5.098 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.421 0.983 -5.415 1.00 0.00 H new ATOM 1165 N VAL A 76 2.973 0.725 -7.684 1.00 0.00 N ATOM 1166 CA VAL A 76 1.563 1.159 -7.895 1.00 0.00 C ATOM 1167 C VAL A 76 0.746 0.731 -6.671 1.00 0.00 C ATOM 1168 O VAL A 76 0.936 -0.366 -6.169 1.00 0.00 O ATOM 1169 CB VAL A 76 0.915 0.577 -9.213 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.567 1.006 -9.377 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.723 0.989 -10.459 1.00 0.00 C ATOM 0 H VAL A 76 3.111 -0.283 -7.758 1.00 0.00 H new ATOM 0 HA VAL A 76 1.560 2.242 -8.017 1.00 0.00 H new ATOM 0 HB VAL A 76 0.940 -0.509 -9.118 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.969 0.582 -10.297 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.146 0.645 -8.527 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.628 2.093 -9.422 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.253 0.574 -11.351 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.747 2.076 -10.534 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.741 0.609 -10.375 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.163 1.607 -6.234 1.00 0.00 N ATOM 1182 CA LEU A 77 -0.947 1.476 -4.986 1.00 0.00 C ATOM 1183 C LEU A 77 -1.717 0.150 -4.864 1.00 0.00 C ATOM 1184 O LEU A 77 -1.769 -0.423 -3.777 1.00 0.00 O ATOM 1185 CB LEU A 77 -1.910 2.699 -4.844 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.375 3.879 -3.981 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.303 3.474 -2.493 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.014 4.392 -4.500 1.00 0.00 C ATOM 0 H LEU A 77 -0.387 2.458 -6.751 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.231 1.465 -4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.139 3.076 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.848 2.352 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.078 4.707 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.927 4.312 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.298 3.202 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.633 2.622 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.328 5.215 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.716 3.583 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.124 4.740 -5.527 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.304 -0.319 -5.976 1.00 0.00 N ATOM 1201 CA LYS A 78 -3.061 -1.596 -6.005 1.00 0.00 C ATOM 1202 C LYS A 78 -2.120 -2.802 -5.734 1.00 0.00 C ATOM 1203 O LYS A 78 -2.457 -3.707 -4.969 1.00 0.00 O ATOM 1204 CB LYS A 78 -3.792 -1.763 -7.376 1.00 0.00 C ATOM 1205 CG LYS A 78 -2.847 -1.757 -8.595 1.00 0.00 C ATOM 1206 CD LYS A 78 -3.551 -2.003 -9.944 1.00 0.00 C ATOM 1207 CE LYS A 78 -2.551 -2.114 -11.113 1.00 0.00 C ATOM 1208 NZ LYS A 78 -3.238 -2.390 -12.397 1.00 0.00 N ATOM 0 H LYS A 78 -2.273 0.164 -6.874 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.811 -1.569 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.351 -2.699 -7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.519 -0.959 -7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.333 -0.797 -8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.084 -2.522 -8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.139 -2.919 -9.883 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.249 -1.189 -10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.983 -1.187 -11.196 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.835 -2.909 -10.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.534 -2.458 -13.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.759 -3.287 -12.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.903 -1.619 -12.608 1.00 0.00 H new ATOM 1222 N ASN A 79 -0.926 -2.757 -6.350 1.00 0.00 N ATOM 1223 CA ASN A 79 0.069 -3.853 -6.333 1.00 0.00 C ATOM 1224 C ASN A 79 0.834 -3.881 -5.004 1.00 0.00 C ATOM 1225 O ASN A 79 1.133 -4.952 -4.467 1.00 0.00 O ATOM 1226 CB ASN A 79 1.061 -3.670 -7.510 1.00 0.00 C ATOM 1227 CG ASN A 79 0.396 -3.725 -8.888 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.588 -4.434 -9.096 1.00 0.00 O ATOM 1229 ND2 ASN A 79 0.927 -2.974 -9.835 1.00 0.00 N ATOM 0 H ASN A 79 -0.616 -1.945 -6.884 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.458 -4.801 -6.441 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.570 -2.712 -7.400 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.825 -4.445 -7.454 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.521 -2.971 -10.771 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.743 -2.397 -9.631 1.00 0.00 H new ATOM 1236 N LEU A 80 1.152 -2.678 -4.508 1.00 0.00 N ATOM 1237 CA LEU A 80 1.814 -2.466 -3.217 1.00 0.00 C ATOM 1238 C LEU A 80 0.900 -2.974 -2.089 1.00 0.00 C ATOM 1239 O LEU A 80 1.322 -3.786 -1.273 1.00 0.00 O ATOM 1240 CB LEU A 80 2.145 -0.955 -3.031 1.00 0.00 C ATOM 1241 CG LEU A 80 2.884 -0.550 -1.709 1.00 0.00 C ATOM 1242 CD1 LEU A 80 4.240 -1.282 -1.558 1.00 0.00 C ATOM 1243 CD2 LEU A 80 3.054 0.990 -1.613 1.00 0.00 C ATOM 0 H LEU A 80 0.952 -1.809 -5.003 1.00 0.00 H new ATOM 0 HA LEU A 80 2.751 -3.022 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.758 -0.635 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.212 -0.394 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 80 2.258 -0.868 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.719 -0.973 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.072 -2.359 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.885 -1.031 -2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.570 1.242 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.639 1.345 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.073 1.466 -1.624 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.377 -2.539 -2.121 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.398 -2.925 -1.122 1.00 0.00 C ATOM 1257 C ALA A 81 -1.689 -4.429 -1.172 1.00 0.00 C ATOM 1258 O ALA A 81 -1.945 -5.044 -0.140 1.00 0.00 O ATOM 1259 CB ALA A 81 -2.688 -2.132 -1.342 1.00 0.00 C ATOM 0 H ALA A 81 -0.731 -1.909 -2.841 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.000 -2.691 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.428 -2.428 -0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.481 -1.066 -1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.075 -2.336 -2.341 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.635 -5.003 -2.384 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.820 -6.449 -2.594 1.00 0.00 C ATOM 1267 C ALA A 82 -0.685 -7.244 -1.913 1.00 0.00 C ATOM 1268 O ALA A 82 -0.948 -8.231 -1.224 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.890 -6.773 -4.095 1.00 0.00 C ATOM 0 H ALA A 82 -1.463 -4.481 -3.243 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.765 -6.746 -2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.027 -7.846 -4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.729 -6.241 -4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.964 -6.462 -4.578 1.00 0.00 H new ATOM 1275 N ARG A 83 0.570 -6.770 -2.093 1.00 0.00 N ATOM 1276 CA ARG A 83 1.764 -7.354 -1.433 1.00 0.00 C ATOM 1277 C ARG A 83 1.629 -7.317 0.097 1.00 0.00 C ATOM 1278 O ARG A 83 1.793 -8.340 0.761 1.00 0.00 O ATOM 1279 CB ARG A 83 3.063 -6.613 -1.877 1.00 0.00 C ATOM 1280 CG ARG A 83 3.562 -6.940 -3.307 1.00 0.00 C ATOM 1281 CD ARG A 83 4.304 -8.296 -3.403 1.00 0.00 C ATOM 1282 NE ARG A 83 3.493 -9.445 -2.937 1.00 0.00 N ATOM 1283 CZ ARG A 83 3.971 -10.539 -2.319 1.00 0.00 C ATOM 1284 NH1 ARG A 83 5.268 -10.747 -2.189 1.00 0.00 N ATOM 1285 NH2 ARG A 83 3.134 -11.441 -1.845 1.00 0.00 N ATOM 0 H ARG A 83 0.784 -5.976 -2.696 1.00 0.00 H new ATOM 0 HA ARG A 83 1.834 -8.396 -1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.889 -5.539 -1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.857 -6.853 -1.170 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.711 -6.951 -3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.228 -6.145 -3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.601 -8.467 -4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.219 -8.244 -2.813 1.00 0.00 H new ATOM 0 HE ARG A 83 2.487 -9.402 -3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.933 -10.069 -2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.605 -11.585 -1.716 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.128 -11.307 -1.948 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.493 -12.272 -1.375 1.00 0.00 H new ATOM 1299 N ILE A 84 1.258 -6.138 0.608 1.00 0.00 N ATOM 1300 CA ILE A 84 1.089 -5.863 2.050 1.00 0.00 C ATOM 1301 C ILE A 84 0.021 -6.796 2.650 1.00 0.00 C ATOM 1302 O ILE A 84 0.221 -7.380 3.717 1.00 0.00 O ATOM 1303 CB ILE A 84 0.673 -4.360 2.241 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.815 -3.420 1.741 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.272 -4.039 3.699 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.416 -1.969 1.579 1.00 0.00 C ATOM 0 H ILE A 84 1.061 -5.326 0.022 1.00 0.00 H new ATOM 0 HA ILE A 84 2.030 -6.047 2.568 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.216 -4.183 1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.647 -3.477 2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.179 -3.791 0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.007 -2.988 3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.575 -4.661 3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.114 -4.241 4.361 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.272 -1.393 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.606 -1.893 0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.082 -1.574 2.538 1.00 0.00 H new ATOM 1318 N ASP A 85 -1.083 -6.960 1.902 1.00 0.00 N ATOM 1319 CA ASP A 85 -2.219 -7.821 2.277 1.00 0.00 C ATOM 1320 C ASP A 85 -1.764 -9.285 2.460 1.00 0.00 C ATOM 1321 O ASP A 85 -2.112 -9.950 3.451 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.308 -7.718 1.179 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.565 -8.551 1.473 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -5.472 -8.050 2.174 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -4.654 -9.714 1.015 1.00 0.00 O ATOM 0 H ASP A 85 -1.214 -6.491 1.006 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.628 -7.485 3.230 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.595 -6.673 1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.884 -8.041 0.228 1.00 0.00 H new ATOM 1330 N GLU A 86 -0.955 -9.752 1.496 1.00 0.00 N ATOM 1331 CA GLU A 86 -0.409 -11.120 1.474 1.00 0.00 C ATOM 1332 C GLU A 86 0.634 -11.332 2.599 1.00 0.00 C ATOM 1333 O GLU A 86 0.747 -12.435 3.131 1.00 0.00 O ATOM 1334 CB GLU A 86 0.210 -11.408 0.078 1.00 0.00 C ATOM 1335 CG GLU A 86 -0.803 -11.350 -1.087 1.00 0.00 C ATOM 1336 CD GLU A 86 -0.154 -11.468 -2.483 1.00 0.00 C ATOM 1337 OE1 GLU A 86 0.542 -10.517 -2.903 1.00 0.00 O ATOM 1338 OE2 GLU A 86 -0.308 -12.515 -3.153 1.00 0.00 O ATOM 0 H GLU A 86 -0.658 -9.185 0.701 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.222 -11.823 1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.005 -10.687 -0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.672 -12.395 0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.529 -12.154 -0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.354 -10.411 -1.031 1.00 0.00 H new ATOM 1345 N LEU A 87 1.397 -10.266 2.943 1.00 0.00 N ATOM 1346 CA LEU A 87 2.410 -10.310 4.032 1.00 0.00 C ATOM 1347 C LEU A 87 1.751 -10.387 5.421 1.00 0.00 C ATOM 1348 O LEU A 87 2.274 -11.062 6.314 1.00 0.00 O ATOM 1349 CB LEU A 87 3.380 -9.097 3.968 1.00 0.00 C ATOM 1350 CG LEU A 87 4.210 -8.956 2.654 1.00 0.00 C ATOM 1351 CD1 LEU A 87 5.220 -7.803 2.748 1.00 0.00 C ATOM 1352 CD2 LEU A 87 4.892 -10.284 2.262 1.00 0.00 C ATOM 0 H LEU A 87 1.331 -9.359 2.480 1.00 0.00 H new ATOM 0 HA LEU A 87 2.990 -11.220 3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.800 -8.185 4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.073 -9.166 4.807 1.00 0.00 H new ATOM 0 HG LEU A 87 3.511 -8.710 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.781 -7.734 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.689 -6.867 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.908 -7.989 3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.460 -10.144 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.565 -10.597 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.133 -11.051 2.107 1.00 0.00 H new ATOM 1364 N VAL A 88 0.609 -9.693 5.589 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.185 -9.745 6.838 1.00 0.00 C ATOM 1366 C VAL A 88 -0.743 -11.177 7.037 1.00 0.00 C ATOM 1367 O VAL A 88 -0.704 -11.747 8.147 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.357 -8.682 6.830 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.250 -8.805 8.089 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -0.812 -7.238 6.696 1.00 0.00 C ATOM 0 H VAL A 88 0.211 -9.086 4.872 1.00 0.00 H new ATOM 0 HA VAL A 88 0.469 -9.493 7.673 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.973 -8.898 5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.043 -8.059 8.047 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.691 -9.801 8.126 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.645 -8.642 8.981 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.644 -6.534 6.694 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.153 -7.018 7.536 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.255 -7.144 5.764 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.214 -11.766 5.931 1.00 0.00 N ATOM 1381 CA ALA A 89 -1.742 -13.136 5.913 1.00 0.00 C ATOM 1382 C ALA A 89 -0.629 -14.155 6.239 1.00 0.00 C ATOM 1383 O ALA A 89 -0.798 -15.019 7.108 1.00 0.00 O ATOM 1384 CB ALA A 89 -2.378 -13.424 4.544 1.00 0.00 C ATOM 0 H ALA A 89 -1.240 -11.305 5.021 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.509 -13.234 6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.770 -14.441 4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.191 -12.720 4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.625 -13.315 3.763 1.00 0.00 H new ATOM 1390 N ALA A 90 0.521 -13.994 5.560 1.00 0.00 N ATOM 1391 CA ALA A 90 1.677 -14.903 5.663 1.00 0.00 C ATOM 1392 C ALA A 90 2.280 -14.912 7.075 1.00 0.00 C ATOM 1393 O ALA A 90 2.638 -15.973 7.592 1.00 0.00 O ATOM 1394 CB ALA A 90 2.742 -14.516 4.623 1.00 0.00 C ATOM 0 H ALA A 90 0.676 -13.219 4.916 1.00 0.00 H new ATOM 0 HA ALA A 90 1.324 -15.914 5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.593 -15.192 4.705 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.316 -14.588 3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.072 -13.493 4.804 1.00 0.00 H new ATOM 1400 N LYS A 91 2.352 -13.725 7.711 1.00 0.00 N ATOM 1401 CA LYS A 91 2.944 -13.588 9.060 1.00 0.00 C ATOM 1402 C LYS A 91 2.033 -14.245 10.117 1.00 0.00 C ATOM 1403 O LYS A 91 2.517 -14.684 11.167 1.00 0.00 O ATOM 1404 CB LYS A 91 3.188 -12.100 9.435 1.00 0.00 C ATOM 1405 CG LYS A 91 1.903 -11.322 9.756 1.00 0.00 C ATOM 1406 CD LYS A 91 2.138 -9.926 10.328 1.00 0.00 C ATOM 1407 CE LYS A 91 0.812 -9.246 10.694 1.00 0.00 C ATOM 1408 NZ LYS A 91 1.043 -7.929 11.289 1.00 0.00 N ATOM 0 H LYS A 91 2.009 -12.850 7.315 1.00 0.00 H new ATOM 0 HA LYS A 91 3.908 -14.096 9.043 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.853 -12.057 10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.703 -11.607 8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.309 -11.234 8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.312 -11.898 10.468 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.771 -9.994 11.213 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.673 -9.317 9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.194 -9.142 9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.259 -9.873 11.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.477 -7.836 12.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.052 -7.825 11.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.764 -7.189 10.613 1.00 0.00 H new