USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 675 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 78 LYS NZ :NH3+ 177:sc= 0.209 (180deg=-0.0509) USER MOD Set 1.2: A 79 ASN : amide:sc= -0.911! K(o=-0.7!,f=-2.3) USER MOD Set 2.1: A 24 THR OG1 : rot 180:sc= -0.746 USER MOD Set 2.2: A 27 SER OG : rot -88:sc= 1.26 USER MOD Single : A 4 THR OG1 : rot 168:sc= 0.22 USER MOD Single : A 10 THR OG1 : rot 172:sc= 0.821 USER MOD Single : A 15 THR OG1 : rot 83:sc= 0.31 USER MOD Single : A 16 CYS SG : rot -55:sc= -3.02! USER MOD Single : A 22 THR OG1 : rot -29:sc= 0.265 USER MOD Single : A 28 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= -0.0513 (180deg=-0.167) USER MOD Single : A 61 THR OG1 : rot 79:sc= 0.418 USER MOD Single : A 62 GLN : amide:sc= 0.332 X(o=0.33,f=-0.0018) USER MOD Single : A 65 ASN : amide:sc= 0.644 K(o=0.64,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -141:sc= 1.02 (180deg=0.172) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0866 USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 0.473 10.723 4.091 1.00 0.00 N ATOM 46 CA THR A 4 0.775 9.675 3.101 1.00 0.00 C ATOM 47 C THR A 4 -0.271 8.538 3.203 1.00 0.00 C ATOM 48 O THR A 4 -0.575 7.889 2.205 1.00 0.00 O ATOM 49 CB THR A 4 2.223 9.114 3.277 1.00 0.00 C ATOM 50 OG1 THR A 4 3.144 10.210 3.403 1.00 0.00 O ATOM 51 CG2 THR A 4 2.650 8.239 2.080 1.00 0.00 C ATOM 0 HA THR A 4 0.721 10.121 2.108 1.00 0.00 H new ATOM 0 HB THR A 4 2.233 8.493 4.173 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.012 9.874 3.711 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.662 7.869 2.242 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.967 7.395 1.984 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.623 8.834 1.167 1.00 0.00 H new ATOM 59 N PHE A 5 -0.894 8.387 4.400 1.00 0.00 N ATOM 60 CA PHE A 5 -1.999 7.429 4.601 1.00 0.00 C ATOM 61 C PHE A 5 -3.287 7.959 3.956 1.00 0.00 C ATOM 62 O PHE A 5 -4.051 7.174 3.417 1.00 0.00 O ATOM 63 CB PHE A 5 -2.249 7.109 6.108 1.00 0.00 C ATOM 64 CG PHE A 5 -3.537 6.297 6.350 1.00 0.00 C ATOM 65 CD1 PHE A 5 -3.639 4.967 5.928 1.00 0.00 C ATOM 66 CD2 PHE A 5 -4.670 6.890 6.927 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.819 4.263 6.083 1.00 0.00 C ATOM 68 CE2 PHE A 5 -5.845 6.176 7.089 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.922 4.868 6.657 1.00 0.00 C ATOM 0 H PHE A 5 -0.647 8.918 5.235 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.703 6.498 4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.398 6.553 6.501 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.306 8.043 6.667 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.785 4.484 5.476 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.625 7.920 7.250 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.879 3.236 5.754 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.701 6.643 7.553 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.844 4.316 6.767 1.00 0.00 H new ATOM 79 N ASP A 6 -3.507 9.288 4.034 1.00 0.00 N ATOM 80 CA ASP A 6 -4.726 9.952 3.490 1.00 0.00 C ATOM 81 C ASP A 6 -4.950 9.559 2.021 1.00 0.00 C ATOM 82 O ASP A 6 -6.029 9.100 1.635 1.00 0.00 O ATOM 83 CB ASP A 6 -4.581 11.494 3.604 1.00 0.00 C ATOM 84 CG ASP A 6 -5.827 12.281 3.153 1.00 0.00 C ATOM 85 OD1 ASP A 6 -6.809 12.355 3.928 1.00 0.00 O ATOM 86 OD2 ASP A 6 -5.849 12.804 2.013 1.00 0.00 O ATOM 0 H ASP A 6 -2.852 9.935 4.473 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.587 9.624 4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.358 11.751 4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.728 11.813 3.005 1.00 0.00 H new ATOM 91 N ARG A 7 -3.874 9.678 1.239 1.00 0.00 N ATOM 92 CA ARG A 7 -3.886 9.353 -0.192 1.00 0.00 C ATOM 93 C ARG A 7 -4.126 7.838 -0.422 1.00 0.00 C ATOM 94 O ARG A 7 -4.963 7.460 -1.241 1.00 0.00 O ATOM 95 CB ARG A 7 -2.562 9.814 -0.846 1.00 0.00 C ATOM 96 CG ARG A 7 -2.187 11.302 -0.603 1.00 0.00 C ATOM 97 CD ARG A 7 -3.303 12.285 -1.010 1.00 0.00 C ATOM 98 NE ARG A 7 -2.857 13.699 -0.992 1.00 0.00 N ATOM 99 CZ ARG A 7 -3.628 14.764 -0.701 1.00 0.00 C ATOM 100 NH1 ARG A 7 -4.863 14.599 -0.258 1.00 0.00 N ATOM 101 NH2 ARG A 7 -3.141 15.987 -0.842 1.00 0.00 N ATOM 0 H ARG A 7 -2.969 10.002 1.579 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.712 9.886 -0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.753 9.186 -0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.627 9.643 -1.921 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.955 11.443 0.452 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.282 11.538 -1.163 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.656 12.033 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.150 12.167 -0.334 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.880 13.881 -1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.239 13.659 -0.134 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.440 15.412 -0.040 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.184 16.120 -1.170 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.722 16.796 -0.622 1.00 0.00 H new ATOM 115 N VAL A 8 -3.386 6.998 0.329 1.00 0.00 N ATOM 116 CA VAL A 8 -3.517 5.517 0.269 1.00 0.00 C ATOM 117 C VAL A 8 -4.954 5.044 0.636 1.00 0.00 C ATOM 118 O VAL A 8 -5.470 4.101 0.036 1.00 0.00 O ATOM 119 CB VAL A 8 -2.459 4.827 1.210 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.637 3.286 1.278 1.00 0.00 C ATOM 121 CG2 VAL A 8 -1.030 5.184 0.754 1.00 0.00 C ATOM 0 H VAL A 8 -2.682 7.319 0.993 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.324 5.218 -0.761 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.625 5.210 2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.882 2.861 1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.630 3.051 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.524 2.862 0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.307 4.702 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.877 4.839 -0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.894 6.265 0.796 1.00 0.00 H new ATOM 131 N ALA A 9 -5.589 5.744 1.600 1.00 0.00 N ATOM 132 CA ALA A 9 -6.958 5.440 2.086 1.00 0.00 C ATOM 133 C ALA A 9 -7.987 5.654 0.958 1.00 0.00 C ATOM 134 O ALA A 9 -8.918 4.869 0.800 1.00 0.00 O ATOM 135 CB ALA A 9 -7.300 6.307 3.324 1.00 0.00 C ATOM 0 H ALA A 9 -5.164 6.544 2.069 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.998 4.393 2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.307 6.071 3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.587 6.099 4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.246 7.362 3.055 1.00 0.00 H new ATOM 141 N THR A 10 -7.794 6.743 0.195 1.00 0.00 N ATOM 142 CA THR A 10 -8.537 7.029 -1.047 1.00 0.00 C ATOM 143 C THR A 10 -8.393 5.894 -2.082 1.00 0.00 C ATOM 144 O THR A 10 -9.384 5.433 -2.656 1.00 0.00 O ATOM 145 CB THR A 10 -8.048 8.404 -1.640 1.00 0.00 C ATOM 146 OG1 THR A 10 -8.639 9.484 -0.908 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.317 8.584 -3.155 1.00 0.00 C ATOM 0 H THR A 10 -7.107 7.461 0.426 1.00 0.00 H new ATOM 0 HA THR A 10 -9.598 7.095 -0.807 1.00 0.00 H new ATOM 0 HB THR A 10 -6.964 8.407 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.236 10.331 -1.192 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.948 9.558 -3.477 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.804 7.800 -3.711 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.389 8.521 -3.344 1.00 0.00 H new ATOM 155 N ILE A 11 -7.150 5.447 -2.287 1.00 0.00 N ATOM 156 CA ILE A 11 -6.798 4.467 -3.332 1.00 0.00 C ATOM 157 C ILE A 11 -7.421 3.085 -3.049 1.00 0.00 C ATOM 158 O ILE A 11 -8.072 2.502 -3.918 1.00 0.00 O ATOM 159 CB ILE A 11 -5.232 4.381 -3.464 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.685 5.772 -3.938 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.776 3.237 -4.399 1.00 0.00 C ATOM 162 CD1 ILE A 11 -3.185 5.955 -3.851 1.00 0.00 C ATOM 0 H ILE A 11 -6.351 5.754 -1.732 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.212 4.804 -4.282 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.815 4.141 -2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.992 5.928 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.162 6.551 -3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.687 3.224 -4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.131 2.284 -4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.187 3.396 -5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.919 6.951 -4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.864 5.839 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.691 5.207 -4.471 1.00 0.00 H new ATOM 174 N ILE A 12 -7.235 2.593 -1.816 1.00 0.00 N ATOM 175 CA ILE A 12 -7.796 1.307 -1.355 1.00 0.00 C ATOM 176 C ILE A 12 -9.337 1.341 -1.345 1.00 0.00 C ATOM 177 O ILE A 12 -9.989 0.335 -1.645 1.00 0.00 O ATOM 178 CB ILE A 12 -7.228 0.945 0.072 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.679 0.772 -0.019 1.00 0.00 C ATOM 180 CG2 ILE A 12 -7.908 -0.316 0.682 1.00 0.00 C ATOM 181 CD1 ILE A 12 -4.986 0.407 1.273 1.00 0.00 C ATOM 0 H ILE A 12 -6.688 3.076 -1.103 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.492 0.530 -2.056 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.460 1.766 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.460 0.001 -0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.249 1.702 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.481 -0.521 1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.979 -0.139 0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.741 -1.172 0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.915 0.312 1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.164 1.186 2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.379 -0.541 1.641 1.00 0.00 H new ATOM 193 N ALA A 13 -9.903 2.513 -1.007 1.00 0.00 N ATOM 194 CA ALA A 13 -11.361 2.754 -1.038 1.00 0.00 C ATOM 195 C ALA A 13 -11.949 2.481 -2.432 1.00 0.00 C ATOM 196 O ALA A 13 -12.854 1.656 -2.590 1.00 0.00 O ATOM 197 CB ALA A 13 -11.672 4.198 -0.600 1.00 0.00 C ATOM 0 H ALA A 13 -9.363 3.323 -0.704 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.828 2.061 -0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.749 4.362 -0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.306 4.357 0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.181 4.897 -1.277 1.00 0.00 H new ATOM 203 N GLU A 14 -11.385 3.156 -3.439 1.00 0.00 N ATOM 204 CA GLU A 14 -11.911 3.146 -4.812 1.00 0.00 C ATOM 205 C GLU A 14 -11.559 1.847 -5.559 1.00 0.00 C ATOM 206 O GLU A 14 -12.306 1.427 -6.450 1.00 0.00 O ATOM 207 CB GLU A 14 -11.405 4.403 -5.565 1.00 0.00 C ATOM 208 CG GLU A 14 -11.736 5.738 -4.852 1.00 0.00 C ATOM 209 CD GLU A 14 -13.247 5.973 -4.617 1.00 0.00 C ATOM 210 OE1 GLU A 14 -13.783 5.538 -3.564 1.00 0.00 O ATOM 211 OE2 GLU A 14 -13.906 6.591 -5.481 1.00 0.00 O ATOM 0 H GLU A 14 -10.548 3.727 -3.326 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.000 3.177 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.325 4.328 -5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.843 4.417 -6.563 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.222 5.761 -3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.339 6.562 -5.445 1.00 0.00 H new ATOM 218 N THR A 15 -10.421 1.218 -5.198 1.00 0.00 N ATOM 219 CA THR A 15 -10.017 -0.082 -5.755 1.00 0.00 C ATOM 220 C THR A 15 -10.904 -1.210 -5.197 1.00 0.00 C ATOM 221 O THR A 15 -11.636 -1.869 -5.944 1.00 0.00 O ATOM 222 CB THR A 15 -8.505 -0.380 -5.457 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.675 0.565 -6.154 1.00 0.00 O ATOM 224 CG2 THR A 15 -8.084 -1.815 -5.833 1.00 0.00 C ATOM 0 H THR A 15 -9.763 1.597 -4.517 1.00 0.00 H new ATOM 0 HA THR A 15 -10.148 -0.037 -6.836 1.00 0.00 H new ATOM 0 HB THR A 15 -8.372 -0.282 -4.380 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.616 1.394 -5.635 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.028 -1.957 -5.602 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.679 -2.530 -5.264 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.247 -1.975 -6.899 1.00 0.00 H new ATOM 232 N CYS A 16 -10.852 -1.401 -3.871 1.00 0.00 N ATOM 233 CA CYS A 16 -11.464 -2.552 -3.187 1.00 0.00 C ATOM 234 C CYS A 16 -12.974 -2.373 -2.887 1.00 0.00 C ATOM 235 O CYS A 16 -13.589 -3.299 -2.338 1.00 0.00 O ATOM 236 CB CYS A 16 -10.682 -2.814 -1.891 1.00 0.00 C ATOM 237 SG CYS A 16 -8.905 -2.974 -2.138 1.00 0.00 S ATOM 0 H CYS A 16 -10.380 -0.756 -3.237 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.406 -3.407 -3.861 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.871 -1.999 -1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -11.059 -3.726 -1.427 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.671 -3.900 -3.019 1.00 0.00 H new ATOM 243 N ASP A 17 -13.549 -1.197 -3.256 1.00 0.00 N ATOM 244 CA ASP A 17 -14.970 -0.853 -3.001 1.00 0.00 C ATOM 245 C ASP A 17 -15.262 -0.896 -1.478 1.00 0.00 C ATOM 246 O ASP A 17 -16.038 -1.724 -0.983 1.00 0.00 O ATOM 247 CB ASP A 17 -15.934 -1.756 -3.833 1.00 0.00 C ATOM 248 CG ASP A 17 -17.387 -1.240 -3.875 1.00 0.00 C ATOM 249 OD1 ASP A 17 -17.705 -0.406 -4.754 1.00 0.00 O ATOM 250 OD2 ASP A 17 -18.218 -1.653 -3.028 1.00 0.00 O ATOM 0 H ASP A 17 -13.036 -0.460 -3.740 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.155 0.167 -3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.556 -1.833 -4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -15.927 -2.762 -3.414 1.00 0.00 H new ATOM 255 N ILE A 18 -14.553 -0.022 -0.747 1.00 0.00 N ATOM 256 CA ILE A 18 -14.643 0.121 0.723 1.00 0.00 C ATOM 257 C ILE A 18 -14.902 1.614 1.055 1.00 0.00 C ATOM 258 O ILE A 18 -14.323 2.478 0.384 1.00 0.00 O ATOM 259 CB ILE A 18 -13.300 -0.355 1.431 1.00 0.00 C ATOM 260 CG1 ILE A 18 -12.959 -1.842 1.077 1.00 0.00 C ATOM 261 CG2 ILE A 18 -13.375 -0.169 2.974 1.00 0.00 C ATOM 262 CD1 ILE A 18 -11.649 -2.360 1.668 1.00 0.00 C ATOM 0 H ILE A 18 -13.884 0.623 -1.167 1.00 0.00 H new ATOM 0 HA ILE A 18 -15.457 -0.504 1.092 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.498 0.276 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.773 -2.478 1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.916 -1.941 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -12.442 -0.504 3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -13.534 0.884 3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.202 -0.757 3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.500 -3.397 1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.820 -1.754 1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.691 -2.299 2.755 1.00 0.00 H new ATOM 274 N PRO A 19 -15.814 1.955 2.046 1.00 0.00 N ATOM 275 CA PRO A 19 -15.923 3.326 2.603 1.00 0.00 C ATOM 276 C PRO A 19 -14.551 3.862 3.078 1.00 0.00 C ATOM 277 O PRO A 19 -13.878 3.245 3.912 1.00 0.00 O ATOM 278 CB PRO A 19 -16.937 3.192 3.782 1.00 0.00 C ATOM 279 CG PRO A 19 -17.187 1.714 3.941 1.00 0.00 C ATOM 280 CD PRO A 19 -16.859 1.069 2.612 1.00 0.00 C ATOM 0 HA PRO A 19 -16.260 4.046 1.857 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.531 3.621 4.698 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.863 3.724 3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.566 1.300 4.735 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.224 1.525 4.217 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.495 0.050 2.740 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -17.734 1.016 1.965 1.00 0.00 H new ATOM 288 N ARG A 20 -14.171 5.011 2.513 1.00 0.00 N ATOM 289 CA ARG A 20 -12.862 5.671 2.700 1.00 0.00 C ATOM 290 C ARG A 20 -12.625 6.005 4.189 1.00 0.00 C ATOM 291 O ARG A 20 -11.524 5.813 4.716 1.00 0.00 O ATOM 292 CB ARG A 20 -12.856 6.961 1.814 1.00 0.00 C ATOM 293 CG ARG A 20 -11.481 7.491 1.341 1.00 0.00 C ATOM 294 CD ARG A 20 -10.622 8.141 2.432 1.00 0.00 C ATOM 295 NE ARG A 20 -9.568 8.967 1.829 1.00 0.00 N ATOM 296 CZ ARG A 20 -8.948 9.983 2.420 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.014 10.172 3.728 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.200 10.774 1.694 1.00 0.00 N ATOM 0 H ARG A 20 -14.785 5.533 1.888 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.050 5.009 2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.464 6.766 0.931 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.350 7.756 2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.921 6.664 0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.644 8.220 0.547 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.248 8.755 3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.175 7.370 3.059 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.288 8.741 0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.551 9.529 4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.528 10.961 4.154 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.101 10.605 0.693 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.716 11.559 2.129 1.00 0.00 H new ATOM 312 N GLU A 21 -13.697 6.483 4.847 1.00 0.00 N ATOM 313 CA GLU A 21 -13.658 6.963 6.243 1.00 0.00 C ATOM 314 C GLU A 21 -13.472 5.817 7.266 1.00 0.00 C ATOM 315 O GLU A 21 -12.888 6.035 8.336 1.00 0.00 O ATOM 316 CB GLU A 21 -14.943 7.775 6.548 1.00 0.00 C ATOM 317 CG GLU A 21 -16.255 6.986 6.405 1.00 0.00 C ATOM 318 CD GLU A 21 -17.485 7.846 6.720 1.00 0.00 C ATOM 319 OE1 GLU A 21 -17.894 7.904 7.902 1.00 0.00 O ATOM 320 OE2 GLU A 21 -18.023 8.493 5.797 1.00 0.00 O ATOM 0 H GLU A 21 -14.622 6.548 4.423 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.785 7.607 6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.878 8.163 7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.979 8.636 5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.335 6.598 5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.234 6.126 7.074 1.00 0.00 H new ATOM 327 N THR A 22 -13.961 4.600 6.931 1.00 0.00 N ATOM 328 CA THR A 22 -13.878 3.433 7.839 1.00 0.00 C ATOM 329 C THR A 22 -12.482 2.785 7.783 1.00 0.00 C ATOM 330 O THR A 22 -12.065 2.124 8.737 1.00 0.00 O ATOM 331 CB THR A 22 -14.971 2.362 7.514 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.795 1.864 6.178 1.00 0.00 O ATOM 333 CG2 THR A 22 -16.396 2.928 7.663 1.00 0.00 C ATOM 0 H THR A 22 -14.416 4.401 6.040 1.00 0.00 H new ATOM 0 HA THR A 22 -14.056 3.806 8.847 1.00 0.00 H new ATOM 0 HB THR A 22 -14.852 1.551 8.233 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.387 2.559 5.621 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.123 2.150 7.428 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.547 3.268 8.688 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.528 3.767 6.979 1.00 0.00 H new ATOM 341 N ILE A 23 -11.791 2.973 6.644 1.00 0.00 N ATOM 342 CA ILE A 23 -10.411 2.492 6.441 1.00 0.00 C ATOM 343 C ILE A 23 -9.462 3.045 7.536 1.00 0.00 C ATOM 344 O ILE A 23 -9.204 4.252 7.599 1.00 0.00 O ATOM 345 CB ILE A 23 -9.892 2.883 5.008 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.704 2.128 3.915 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.375 2.629 4.849 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.310 2.449 2.489 1.00 0.00 C ATOM 0 H ILE A 23 -12.174 3.464 5.836 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.419 1.405 6.519 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.047 3.955 4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.590 1.056 4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.761 2.359 4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.062 2.913 3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.828 3.223 5.581 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.164 1.572 5.009 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.931 1.875 1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.452 3.514 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.263 2.190 2.334 1.00 0.00 H new ATOM 360 N THR A 24 -8.990 2.144 8.413 1.00 0.00 N ATOM 361 CA THR A 24 -8.087 2.485 9.526 1.00 0.00 C ATOM 362 C THR A 24 -6.620 2.259 9.096 1.00 0.00 C ATOM 363 O THR A 24 -6.354 1.368 8.296 1.00 0.00 O ATOM 364 CB THR A 24 -8.418 1.620 10.792 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.221 0.227 10.508 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.863 1.831 11.258 1.00 0.00 C ATOM 0 H THR A 24 -9.225 1.152 8.370 1.00 0.00 H new ATOM 0 HA THR A 24 -8.229 3.535 9.782 1.00 0.00 H new ATOM 0 HB THR A 24 -7.744 1.939 11.587 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.429 -0.302 11.306 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.055 1.216 12.137 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.014 2.881 11.510 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.548 1.547 10.459 1.00 0.00 H new ATOM 374 N PRO A 25 -5.639 3.071 9.601 1.00 0.00 N ATOM 375 CA PRO A 25 -4.194 2.838 9.332 1.00 0.00 C ATOM 376 C PRO A 25 -3.697 1.513 9.953 1.00 0.00 C ATOM 377 O PRO A 25 -2.805 0.858 9.411 1.00 0.00 O ATOM 378 CB PRO A 25 -3.498 4.075 9.962 1.00 0.00 C ATOM 379 CG PRO A 25 -4.473 4.573 10.986 1.00 0.00 C ATOM 380 CD PRO A 25 -5.847 4.298 10.420 1.00 0.00 C ATOM 0 HA PRO A 25 -3.978 2.735 8.269 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.546 3.805 10.419 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.287 4.837 9.211 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.334 4.062 11.939 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.334 5.638 11.172 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.582 4.136 11.208 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.207 5.130 9.815 1.00 0.00 H new ATOM 388 N GLU A 26 -4.341 1.102 11.060 1.00 0.00 N ATOM 389 CA GLU A 26 -3.948 -0.092 11.825 1.00 0.00 C ATOM 390 C GLU A 26 -4.457 -1.391 11.159 1.00 0.00 C ATOM 391 O GLU A 26 -4.033 -2.480 11.553 1.00 0.00 O ATOM 392 CB GLU A 26 -4.462 0.006 13.287 1.00 0.00 C ATOM 393 CG GLU A 26 -5.996 0.068 13.428 1.00 0.00 C ATOM 394 CD GLU A 26 -6.459 0.124 14.890 1.00 0.00 C ATOM 395 OE1 GLU A 26 -6.534 1.233 15.461 1.00 0.00 O ATOM 396 OE2 GLU A 26 -6.716 -0.943 15.489 1.00 0.00 O ATOM 0 H GLU A 26 -5.149 1.589 11.448 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.859 -0.132 11.836 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.094 -0.855 13.846 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.032 0.894 13.750 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.369 0.945 12.900 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.436 -0.805 12.946 1.00 0.00 H new ATOM 403 N SER A 27 -5.353 -1.274 10.148 1.00 0.00 N ATOM 404 CA SER A 27 -5.901 -2.452 9.443 1.00 0.00 C ATOM 405 C SER A 27 -4.857 -3.055 8.500 1.00 0.00 C ATOM 406 O SER A 27 -4.085 -2.329 7.862 1.00 0.00 O ATOM 407 CB SER A 27 -7.182 -2.098 8.650 1.00 0.00 C ATOM 408 OG SER A 27 -6.941 -1.147 7.631 1.00 0.00 O ATOM 0 H SER A 27 -5.708 -0.381 9.807 1.00 0.00 H new ATOM 0 HA SER A 27 -6.163 -3.188 10.203 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.594 -3.005 8.207 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.934 -1.709 9.336 1.00 0.00 H new ATOM 0 HG SER A 27 -7.042 -0.243 7.996 1.00 0.00 H new ATOM 414 N HIS A 28 -4.822 -4.389 8.455 1.00 0.00 N ATOM 415 CA HIS A 28 -4.030 -5.163 7.500 1.00 0.00 C ATOM 416 C HIS A 28 -4.904 -5.430 6.264 1.00 0.00 C ATOM 417 O HIS A 28 -6.064 -5.837 6.409 1.00 0.00 O ATOM 418 CB HIS A 28 -3.580 -6.494 8.151 1.00 0.00 C ATOM 419 CG HIS A 28 -2.633 -7.316 7.305 1.00 0.00 C ATOM 420 ND1 HIS A 28 -3.053 -7.979 6.182 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.320 -7.569 7.487 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.996 -8.606 5.714 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.920 -8.388 6.468 1.00 0.00 N ATOM 0 H HIS A 28 -5.357 -4.973 9.098 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.136 -4.613 7.206 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.098 -6.274 9.104 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.463 -7.093 8.372 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.701 -7.194 8.288 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -2.000 -9.222 4.827 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.018 -8.759 6.315 1.00 0.00 H new ATOM 431 N ALA A 29 -4.355 -5.148 5.071 1.00 0.00 N ATOM 432 CA ALA A 29 -5.036 -5.357 3.777 1.00 0.00 C ATOM 433 C ALA A 29 -5.692 -6.747 3.671 1.00 0.00 C ATOM 434 O ALA A 29 -6.912 -6.852 3.562 1.00 0.00 O ATOM 435 CB ALA A 29 -4.041 -5.153 2.625 1.00 0.00 C ATOM 0 H ALA A 29 -3.415 -4.764 4.974 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.837 -4.621 3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.549 -5.309 1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.644 -4.139 2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.223 -5.867 2.720 1.00 0.00 H new ATOM 441 N ILE A 30 -4.878 -7.804 3.754 1.00 0.00 N ATOM 442 CA ILE A 30 -5.343 -9.184 3.535 1.00 0.00 C ATOM 443 C ILE A 30 -6.157 -9.700 4.741 1.00 0.00 C ATOM 444 O ILE A 30 -7.229 -10.294 4.562 1.00 0.00 O ATOM 445 CB ILE A 30 -4.138 -10.145 3.227 1.00 0.00 C ATOM 446 CG1 ILE A 30 -3.349 -9.637 1.976 1.00 0.00 C ATOM 447 CG2 ILE A 30 -4.616 -11.608 3.029 1.00 0.00 C ATOM 448 CD1 ILE A 30 -2.174 -10.505 1.556 1.00 0.00 C ATOM 0 H ILE A 30 -3.884 -7.732 3.973 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.001 -9.174 2.666 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.468 -10.137 4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.041 -9.559 1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.982 -8.631 2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.758 -12.246 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.111 -11.955 3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.315 -11.652 2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.693 -10.068 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.455 -10.564 2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.530 -11.506 1.313 1.00 0.00 H new ATOM 460 N ASP A 31 -5.652 -9.449 5.965 1.00 0.00 N ATOM 461 CA ASP A 31 -6.270 -9.966 7.209 1.00 0.00 C ATOM 462 C ASP A 31 -7.600 -9.247 7.514 1.00 0.00 C ATOM 463 O ASP A 31 -8.669 -9.868 7.462 1.00 0.00 O ATOM 464 CB ASP A 31 -5.283 -9.843 8.403 1.00 0.00 C ATOM 465 CG ASP A 31 -5.859 -10.357 9.741 1.00 0.00 C ATOM 466 OD1 ASP A 31 -5.846 -11.587 9.972 1.00 0.00 O ATOM 467 OD2 ASP A 31 -6.329 -9.543 10.571 1.00 0.00 O ATOM 0 H ASP A 31 -4.814 -8.889 6.122 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.494 -11.022 7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.375 -10.400 8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.996 -8.798 8.519 1.00 0.00 H new ATOM 472 N ASP A 32 -7.522 -7.933 7.804 1.00 0.00 N ATOM 473 CA ASP A 32 -8.687 -7.132 8.229 1.00 0.00 C ATOM 474 C ASP A 32 -9.617 -6.854 7.038 1.00 0.00 C ATOM 475 O ASP A 32 -10.759 -7.330 7.006 1.00 0.00 O ATOM 476 CB ASP A 32 -8.222 -5.801 8.895 1.00 0.00 C ATOM 477 CG ASP A 32 -9.384 -4.934 9.460 1.00 0.00 C ATOM 478 OD1 ASP A 32 -9.991 -4.137 8.701 1.00 0.00 O ATOM 479 OD2 ASP A 32 -9.674 -5.029 10.668 1.00 0.00 O ATOM 0 H ASP A 32 -6.654 -7.399 7.751 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.248 -7.704 8.968 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.530 -6.034 9.704 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.668 -5.214 8.162 1.00 0.00 H new ATOM 484 N LEU A 33 -9.090 -6.124 6.040 1.00 0.00 N ATOM 485 CA LEU A 33 -9.876 -5.628 4.891 1.00 0.00 C ATOM 486 C LEU A 33 -10.242 -6.752 3.894 1.00 0.00 C ATOM 487 O LEU A 33 -11.036 -6.522 2.975 1.00 0.00 O ATOM 488 CB LEU A 33 -9.104 -4.506 4.159 1.00 0.00 C ATOM 489 CG LEU A 33 -8.669 -3.278 5.016 1.00 0.00 C ATOM 490 CD1 LEU A 33 -7.849 -2.294 4.167 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.882 -2.569 5.663 1.00 0.00 C ATOM 0 H LEU A 33 -8.106 -5.859 6.005 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.809 -5.232 5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.210 -4.943 3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.725 -4.145 3.339 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.041 -3.647 5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.553 -1.443 4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.958 -2.795 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.453 -1.945 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.536 -1.719 6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.558 -2.219 4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.409 -3.269 6.312 1.00 0.00 H new ATOM 503 N GLY A 34 -9.627 -7.946 4.060 1.00 0.00 N ATOM 504 CA GLY A 34 -9.946 -9.123 3.234 1.00 0.00 C ATOM 505 C GLY A 34 -9.526 -8.984 1.772 1.00 0.00 C ATOM 506 O GLY A 34 -10.043 -9.696 0.905 1.00 0.00 O ATOM 0 H GLY A 34 -8.906 -8.115 4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.456 -9.998 3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.020 -9.305 3.278 1.00 0.00 H new ATOM 510 N ILE A 35 -8.586 -8.062 1.511 1.00 0.00 N ATOM 511 CA ILE A 35 -8.056 -7.794 0.164 1.00 0.00 C ATOM 512 C ILE A 35 -7.190 -8.974 -0.296 1.00 0.00 C ATOM 513 O ILE A 35 -6.322 -9.429 0.451 1.00 0.00 O ATOM 514 CB ILE A 35 -7.207 -6.464 0.141 1.00 0.00 C ATOM 515 CG1 ILE A 35 -8.071 -5.264 0.652 1.00 0.00 C ATOM 516 CG2 ILE A 35 -6.631 -6.168 -1.274 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.321 -3.957 0.812 1.00 0.00 C ATOM 0 H ILE A 35 -8.169 -7.477 2.235 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.898 -7.671 -0.517 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.358 -6.599 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.897 -5.109 -0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.509 -5.534 1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.053 -5.244 -1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.986 -6.990 -1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.450 -6.062 -1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.004 -3.187 1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.512 -4.087 1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.906 -3.655 -0.150 1.00 0.00 H new ATOM 529 N ASP A 36 -7.444 -9.473 -1.512 1.00 0.00 N ATOM 530 CA ASP A 36 -6.631 -10.537 -2.127 1.00 0.00 C ATOM 531 C ASP A 36 -5.266 -9.936 -2.506 1.00 0.00 C ATOM 532 O ASP A 36 -5.192 -8.748 -2.833 1.00 0.00 O ATOM 533 CB ASP A 36 -7.358 -11.094 -3.393 1.00 0.00 C ATOM 534 CG ASP A 36 -6.897 -12.510 -3.797 1.00 0.00 C ATOM 535 OD1 ASP A 36 -5.730 -12.678 -4.188 1.00 0.00 O ATOM 536 OD2 ASP A 36 -7.708 -13.461 -3.735 1.00 0.00 O ATOM 0 H ASP A 36 -8.215 -9.154 -2.098 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.489 -11.362 -1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.432 -11.110 -3.208 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.189 -10.414 -4.228 1.00 0.00 H new ATOM 541 N SER A 37 -4.192 -10.742 -2.482 1.00 0.00 N ATOM 542 CA SER A 37 -2.844 -10.280 -2.883 1.00 0.00 C ATOM 543 C SER A 37 -2.807 -9.966 -4.403 1.00 0.00 C ATOM 544 O SER A 37 -1.922 -9.243 -4.875 1.00 0.00 O ATOM 545 CB SER A 37 -1.777 -11.335 -2.497 1.00 0.00 C ATOM 546 OG SER A 37 -0.449 -10.884 -2.756 1.00 0.00 O ATOM 0 H SER A 37 -4.227 -11.719 -2.189 1.00 0.00 H new ATOM 0 HA SER A 37 -2.613 -9.359 -2.348 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.876 -11.578 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.961 -12.254 -3.053 1.00 0.00 H new ATOM 0 HG SER A 37 0.190 -11.580 -2.496 1.00 0.00 H new ATOM 552 N LEU A 38 -3.814 -10.487 -5.138 1.00 0.00 N ATOM 553 CA LEU A 38 -4.007 -10.229 -6.569 1.00 0.00 C ATOM 554 C LEU A 38 -4.779 -8.914 -6.773 1.00 0.00 C ATOM 555 O LEU A 38 -4.568 -8.207 -7.757 1.00 0.00 O ATOM 556 CB LEU A 38 -4.749 -11.421 -7.236 1.00 0.00 C ATOM 557 CG LEU A 38 -4.055 -12.818 -7.088 1.00 0.00 C ATOM 558 CD1 LEU A 38 -4.852 -13.921 -7.817 1.00 0.00 C ATOM 559 CD2 LEU A 38 -2.597 -12.757 -7.587 1.00 0.00 C ATOM 0 H LEU A 38 -4.521 -11.106 -4.742 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.032 -10.128 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.751 -11.486 -6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.867 -11.204 -8.298 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.039 -13.076 -6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.344 -14.878 -7.695 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.854 -13.986 -7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.921 -13.679 -8.878 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.133 -13.737 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.584 -12.467 -8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.042 -12.024 -7.001 1.00 0.00 H new ATOM 571 N ASP A 39 -5.671 -8.588 -5.818 1.00 0.00 N ATOM 572 CA ASP A 39 -6.452 -7.331 -5.839 1.00 0.00 C ATOM 573 C ASP A 39 -5.565 -6.159 -5.383 1.00 0.00 C ATOM 574 O ASP A 39 -5.724 -5.016 -5.833 1.00 0.00 O ATOM 575 CB ASP A 39 -7.709 -7.446 -4.934 1.00 0.00 C ATOM 576 CG ASP A 39 -8.719 -6.303 -5.167 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.485 -6.381 -6.153 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.772 -5.339 -4.370 1.00 0.00 O ATOM 0 H ASP A 39 -5.872 -9.183 -5.014 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.789 -7.146 -6.859 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.199 -8.402 -5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.400 -7.445 -3.889 1.00 0.00 H new ATOM 583 N PHE A 40 -4.598 -6.478 -4.507 1.00 0.00 N ATOM 584 CA PHE A 40 -3.620 -5.515 -3.980 1.00 0.00 C ATOM 585 C PHE A 40 -2.668 -5.034 -5.106 1.00 0.00 C ATOM 586 O PHE A 40 -2.052 -3.971 -4.987 1.00 0.00 O ATOM 587 CB PHE A 40 -2.844 -6.137 -2.788 1.00 0.00 C ATOM 588 CG PHE A 40 -2.153 -5.117 -1.882 1.00 0.00 C ATOM 589 CD1 PHE A 40 -2.818 -4.549 -0.801 1.00 0.00 C ATOM 590 CD2 PHE A 40 -0.837 -4.739 -2.105 1.00 0.00 C ATOM 591 CE1 PHE A 40 -2.192 -3.624 0.009 1.00 0.00 C ATOM 592 CE2 PHE A 40 -0.210 -3.817 -1.297 1.00 0.00 C ATOM 593 CZ PHE A 40 -0.886 -3.267 -0.234 1.00 0.00 C ATOM 0 H PHE A 40 -4.473 -7.422 -4.142 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.148 -4.637 -3.607 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.537 -6.727 -2.188 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.094 -6.825 -3.178 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.838 -4.836 -0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.293 -5.177 -2.929 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.728 -3.180 0.835 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.811 -3.527 -1.498 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.392 -2.555 0.410 1.00 0.00 H new ATOM 603 N LEU A 41 -2.555 -5.834 -6.195 1.00 0.00 N ATOM 604 CA LEU A 41 -1.783 -5.451 -7.403 1.00 0.00 C ATOM 605 C LEU A 41 -2.352 -4.153 -8.020 1.00 0.00 C ATOM 606 O LEU A 41 -1.594 -3.270 -8.446 1.00 0.00 O ATOM 607 CB LEU A 41 -1.802 -6.591 -8.462 1.00 0.00 C ATOM 608 CG LEU A 41 -1.260 -7.983 -7.987 1.00 0.00 C ATOM 609 CD1 LEU A 41 -1.382 -9.043 -9.097 1.00 0.00 C ATOM 610 CD2 LEU A 41 0.192 -7.898 -7.478 1.00 0.00 C ATOM 0 H LEU A 41 -2.992 -6.753 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.751 -5.278 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.828 -6.722 -8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.215 -6.270 -9.322 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.885 -8.291 -7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.997 -9.996 -8.734 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.429 -9.158 -9.377 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.806 -8.727 -9.967 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.524 -8.886 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.838 -7.538 -8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.242 -7.209 -6.635 1.00 0.00 H new ATOM 622 N ASP A 42 -3.700 -4.049 -8.034 1.00 0.00 N ATOM 623 CA ASP A 42 -4.424 -2.868 -8.556 1.00 0.00 C ATOM 624 C ASP A 42 -4.221 -1.652 -7.629 1.00 0.00 C ATOM 625 O ASP A 42 -4.120 -0.517 -8.106 1.00 0.00 O ATOM 626 CB ASP A 42 -5.938 -3.172 -8.716 1.00 0.00 C ATOM 627 CG ASP A 42 -6.698 -2.065 -9.484 1.00 0.00 C ATOM 628 OD1 ASP A 42 -7.115 -1.049 -8.879 1.00 0.00 O ATOM 629 OD2 ASP A 42 -6.851 -2.187 -10.720 1.00 0.00 O ATOM 0 H ASP A 42 -4.317 -4.782 -7.684 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.015 -2.631 -9.538 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.059 -4.120 -9.241 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.385 -3.295 -7.729 1.00 0.00 H new ATOM 634 N ILE A 43 -4.156 -1.909 -6.306 1.00 0.00 N ATOM 635 CA ILE A 43 -3.884 -0.864 -5.298 1.00 0.00 C ATOM 636 C ILE A 43 -2.489 -0.257 -5.548 1.00 0.00 C ATOM 637 O ILE A 43 -2.342 0.957 -5.651 1.00 0.00 O ATOM 638 CB ILE A 43 -3.958 -1.440 -3.830 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.371 -2.030 -3.538 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.573 -0.372 -2.775 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.563 -2.574 -2.136 1.00 0.00 C ATOM 0 H ILE A 43 -4.289 -2.839 -5.909 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.649 -0.094 -5.395 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.228 -2.246 -3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.116 -1.254 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.568 -2.830 -4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.636 -0.807 -1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.554 -0.030 -2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.258 0.473 -2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.576 -2.961 -2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.848 -3.376 -1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.403 -1.776 -1.411 1.00 0.00 H new ATOM 653 N ALA A 44 -1.504 -1.151 -5.725 1.00 0.00 N ATOM 654 CA ALA A 44 -0.096 -0.775 -5.954 1.00 0.00 C ATOM 655 C ALA A 44 0.078 -0.031 -7.292 1.00 0.00 C ATOM 656 O ALA A 44 0.938 0.842 -7.415 1.00 0.00 O ATOM 657 CB ALA A 44 0.792 -2.023 -5.915 1.00 0.00 C ATOM 0 H ALA A 44 -1.660 -2.159 -5.714 1.00 0.00 H new ATOM 0 HA ALA A 44 0.207 -0.096 -5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.830 -1.737 -6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.703 -2.503 -4.940 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.476 -2.719 -6.692 1.00 0.00 H new ATOM 663 N PHE A 45 -0.766 -0.393 -8.275 1.00 0.00 N ATOM 664 CA PHE A 45 -0.781 0.240 -9.608 1.00 0.00 C ATOM 665 C PHE A 45 -1.335 1.676 -9.526 1.00 0.00 C ATOM 666 O PHE A 45 -0.810 2.599 -10.162 1.00 0.00 O ATOM 667 CB PHE A 45 -1.619 -0.620 -10.586 1.00 0.00 C ATOM 668 CG PHE A 45 -1.503 -0.208 -12.057 1.00 0.00 C ATOM 669 CD1 PHE A 45 -0.449 -0.673 -12.844 1.00 0.00 C ATOM 670 CD2 PHE A 45 -2.440 0.641 -12.651 1.00 0.00 C ATOM 671 CE1 PHE A 45 -0.345 -0.308 -14.174 1.00 0.00 C ATOM 672 CE2 PHE A 45 -2.333 1.004 -13.979 1.00 0.00 C ATOM 673 CZ PHE A 45 -1.284 0.533 -14.739 1.00 0.00 C ATOM 0 H PHE A 45 -1.459 -1.134 -8.168 1.00 0.00 H new ATOM 0 HA PHE A 45 0.241 0.300 -9.981 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.312 -1.661 -10.489 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.666 -0.568 -10.289 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.294 -1.325 -12.410 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.262 1.020 -12.062 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.473 -0.682 -14.773 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.071 1.657 -14.422 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.196 0.821 -15.776 1.00 0.00 H new ATOM 683 N ALA A 46 -2.400 1.849 -8.730 1.00 0.00 N ATOM 684 CA ALA A 46 -3.060 3.158 -8.545 1.00 0.00 C ATOM 685 C ALA A 46 -2.225 4.091 -7.638 1.00 0.00 C ATOM 686 O ALA A 46 -2.304 5.310 -7.762 1.00 0.00 O ATOM 687 CB ALA A 46 -4.476 2.957 -7.993 1.00 0.00 C ATOM 0 H ALA A 46 -2.829 1.093 -8.197 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.135 3.647 -9.516 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.956 3.927 -7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.058 2.358 -8.693 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.423 2.443 -7.033 1.00 0.00 H new ATOM 693 N ILE A 47 -1.426 3.492 -6.734 1.00 0.00 N ATOM 694 CA ILE A 47 -0.434 4.214 -5.903 1.00 0.00 C ATOM 695 C ILE A 47 0.737 4.688 -6.783 1.00 0.00 C ATOM 696 O ILE A 47 1.209 5.827 -6.667 1.00 0.00 O ATOM 697 CB ILE A 47 0.100 3.292 -4.735 1.00 0.00 C ATOM 698 CG1 ILE A 47 -1.029 2.994 -3.691 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.342 3.899 -4.034 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.685 1.944 -2.645 1.00 0.00 C ATOM 0 H ILE A 47 -1.448 2.488 -6.556 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.921 5.080 -5.456 1.00 0.00 H new ATOM 0 HB ILE A 47 0.409 2.351 -5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.283 3.923 -3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.921 2.671 -4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.674 3.231 -3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.145 4.025 -4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.082 4.868 -3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.531 1.811 -1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.462 0.998 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.185 2.270 -2.075 1.00 0.00 H new ATOM 712 N ASP A 48 1.165 3.786 -7.674 1.00 0.00 N ATOM 713 CA ASP A 48 2.242 4.025 -8.648 1.00 0.00 C ATOM 714 C ASP A 48 1.923 5.260 -9.520 1.00 0.00 C ATOM 715 O ASP A 48 2.799 6.077 -9.812 1.00 0.00 O ATOM 716 CB ASP A 48 2.405 2.750 -9.513 1.00 0.00 C ATOM 717 CG ASP A 48 3.593 2.773 -10.485 1.00 0.00 C ATOM 718 OD1 ASP A 48 3.481 3.387 -11.569 1.00 0.00 O ATOM 719 OD2 ASP A 48 4.644 2.173 -10.171 1.00 0.00 O ATOM 0 H ASP A 48 0.766 2.850 -7.741 1.00 0.00 H new ATOM 0 HA ASP A 48 3.178 4.234 -8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.513 1.891 -8.851 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.490 2.598 -10.085 1.00 0.00 H new ATOM 724 N LYS A 49 0.638 5.380 -9.908 1.00 0.00 N ATOM 725 CA LYS A 49 0.121 6.509 -10.706 1.00 0.00 C ATOM 726 C LYS A 49 -0.062 7.783 -9.848 1.00 0.00 C ATOM 727 O LYS A 49 0.384 8.871 -10.238 1.00 0.00 O ATOM 728 CB LYS A 49 -1.234 6.120 -11.354 1.00 0.00 C ATOM 729 CG LYS A 49 -1.162 5.007 -12.419 1.00 0.00 C ATOM 730 CD LYS A 49 -2.564 4.584 -12.939 1.00 0.00 C ATOM 731 CE LYS A 49 -3.344 5.742 -13.596 1.00 0.00 C ATOM 732 NZ LYS A 49 -2.656 6.293 -14.791 1.00 0.00 N ATOM 0 H LYS A 49 -0.076 4.690 -9.674 1.00 0.00 H new ATOM 0 HA LYS A 49 0.855 6.729 -11.481 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.916 5.802 -10.566 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.668 7.009 -11.811 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.556 5.351 -13.258 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.658 4.138 -11.997 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.448 3.777 -13.662 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.148 4.187 -12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.335 5.390 -13.883 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.488 6.538 -12.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.223 7.067 -15.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.721 6.655 -14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.542 5.543 -15.502 1.00 0.00 H new ATOM 746 N ALA A 50 -0.723 7.621 -8.686 1.00 0.00 N ATOM 747 CA ALA A 50 -1.168 8.751 -7.828 1.00 0.00 C ATOM 748 C ALA A 50 0.017 9.559 -7.274 1.00 0.00 C ATOM 749 O ALA A 50 0.035 10.800 -7.345 1.00 0.00 O ATOM 750 CB ALA A 50 -2.033 8.233 -6.667 1.00 0.00 C ATOM 0 H ALA A 50 -0.967 6.705 -8.310 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.760 9.417 -8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.351 9.072 -6.048 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.910 7.723 -7.066 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.452 7.536 -6.063 1.00 0.00 H new ATOM 756 N PHE A 51 0.979 8.835 -6.695 1.00 0.00 N ATOM 757 CA PHE A 51 2.203 9.420 -6.127 1.00 0.00 C ATOM 758 C PHE A 51 3.269 9.650 -7.218 1.00 0.00 C ATOM 759 O PHE A 51 4.174 10.471 -7.035 1.00 0.00 O ATOM 760 CB PHE A 51 2.768 8.502 -5.018 1.00 0.00 C ATOM 761 CG PHE A 51 1.871 8.360 -3.783 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.885 7.381 -3.716 1.00 0.00 C ATOM 763 CD2 PHE A 51 2.040 9.192 -2.674 1.00 0.00 C ATOM 764 CE1 PHE A 51 0.105 7.231 -2.585 1.00 0.00 C ATOM 765 CE2 PHE A 51 1.255 9.046 -1.546 1.00 0.00 C ATOM 766 CZ PHE A 51 0.293 8.060 -1.502 1.00 0.00 C ATOM 0 H PHE A 51 0.933 7.820 -6.605 1.00 0.00 H new ATOM 0 HA PHE A 51 1.946 10.387 -5.695 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.942 7.512 -5.439 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.737 8.890 -4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.726 6.728 -4.561 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.797 9.962 -2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.653 6.462 -2.551 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.395 9.703 -0.701 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.314 7.938 -0.617 1.00 0.00 H new ATOM 776 N GLY A 52 3.159 8.906 -8.342 1.00 0.00 N ATOM 777 CA GLY A 52 4.146 8.986 -9.433 1.00 0.00 C ATOM 778 C GLY A 52 5.466 8.301 -9.069 1.00 0.00 C ATOM 779 O GLY A 52 6.549 8.745 -9.468 1.00 0.00 O ATOM 0 H GLY A 52 2.399 8.248 -8.513 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.733 8.523 -10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.336 10.032 -9.673 1.00 0.00 H new ATOM 783 N ILE A 53 5.360 7.219 -8.281 1.00 0.00 N ATOM 784 CA ILE A 53 6.514 6.436 -7.781 1.00 0.00 C ATOM 785 C ILE A 53 6.478 5.033 -8.368 1.00 0.00 C ATOM 786 O ILE A 53 5.429 4.577 -8.797 1.00 0.00 O ATOM 787 CB ILE A 53 6.498 6.321 -6.213 1.00 0.00 C ATOM 788 CG1 ILE A 53 5.154 5.681 -5.707 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.762 7.694 -5.563 1.00 0.00 C ATOM 790 CD1 ILE A 53 5.096 5.414 -4.216 1.00 0.00 C ATOM 0 H ILE A 53 4.461 6.854 -7.966 1.00 0.00 H new ATOM 0 HA ILE A 53 7.421 6.957 -8.087 1.00 0.00 H new ATOM 0 HB ILE A 53 7.305 5.654 -5.909 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.330 6.342 -5.975 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.994 4.742 -6.236 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.747 7.592 -4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.737 8.065 -5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.989 8.398 -5.872 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.132 4.973 -3.963 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.894 4.726 -3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.220 6.351 -3.673 1.00 0.00 H new ATOM 802 N LYS A 54 7.623 4.355 -8.381 1.00 0.00 N ATOM 803 CA LYS A 54 7.703 2.933 -8.729 1.00 0.00 C ATOM 804 C LYS A 54 7.566 2.117 -7.439 1.00 0.00 C ATOM 805 O LYS A 54 8.532 1.999 -6.674 1.00 0.00 O ATOM 806 CB LYS A 54 9.046 2.616 -9.442 1.00 0.00 C ATOM 807 CG LYS A 54 9.218 1.131 -9.844 1.00 0.00 C ATOM 808 CD LYS A 54 10.647 0.790 -10.329 1.00 0.00 C ATOM 809 CE LYS A 54 11.725 1.056 -9.254 1.00 0.00 C ATOM 810 NZ LYS A 54 13.075 0.616 -9.685 1.00 0.00 N ATOM 0 H LYS A 54 8.524 4.774 -8.151 1.00 0.00 H new ATOM 0 HA LYS A 54 6.901 2.673 -9.419 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.124 3.234 -10.337 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.868 2.900 -8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.971 0.500 -8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.507 0.891 -10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.685 -0.259 -10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.874 1.379 -11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.749 2.121 -9.024 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.453 0.537 -8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.762 0.816 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.061 -0.406 -9.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.349 1.129 -10.547 1.00 0.00 H new ATOM 824 N LEU A 55 6.356 1.608 -7.158 1.00 0.00 N ATOM 825 CA LEU A 55 6.117 0.729 -6.007 1.00 0.00 C ATOM 826 C LEU A 55 6.377 -0.724 -6.462 1.00 0.00 C ATOM 827 O LEU A 55 5.553 -1.280 -7.198 1.00 0.00 O ATOM 828 CB LEU A 55 4.667 0.935 -5.448 1.00 0.00 C ATOM 829 CG LEU A 55 4.338 0.254 -4.062 1.00 0.00 C ATOM 830 CD1 LEU A 55 3.154 0.940 -3.356 1.00 0.00 C ATOM 831 CD2 LEU A 55 4.050 -1.260 -4.191 1.00 0.00 C ATOM 0 H LEU A 55 5.524 1.793 -7.718 1.00 0.00 H new ATOM 0 HA LEU A 55 6.792 0.968 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.488 2.006 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.960 0.559 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 55 5.236 0.377 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.959 0.442 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.396 1.987 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.268 0.877 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.831 -1.674 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.194 -1.413 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.922 -1.762 -4.609 1.00 0.00 H new ATOM 843 N PRO A 56 7.523 -1.370 -6.060 1.00 0.00 N ATOM 844 CA PRO A 56 7.832 -2.742 -6.493 1.00 0.00 C ATOM 845 C PRO A 56 7.120 -3.781 -5.605 1.00 0.00 C ATOM 846 O PRO A 56 7.717 -4.374 -4.707 1.00 0.00 O ATOM 847 CB PRO A 56 9.379 -2.783 -6.377 1.00 0.00 C ATOM 848 CG PRO A 56 9.697 -1.875 -5.218 1.00 0.00 C ATOM 849 CD PRO A 56 8.588 -0.828 -5.164 1.00 0.00 C ATOM 0 HA PRO A 56 7.487 -2.988 -7.497 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.736 -3.797 -6.196 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.855 -2.436 -7.294 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.743 -2.439 -4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.670 -1.402 -5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.220 -0.691 -4.147 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.941 0.144 -5.509 1.00 0.00 H new ATOM 857 N LEU A 57 5.826 -4.021 -5.895 1.00 0.00 N ATOM 858 CA LEU A 57 5.007 -4.991 -5.149 1.00 0.00 C ATOM 859 C LEU A 57 5.371 -6.422 -5.560 1.00 0.00 C ATOM 860 O LEU A 57 5.265 -7.349 -4.764 1.00 0.00 O ATOM 861 CB LEU A 57 3.498 -4.747 -5.361 1.00 0.00 C ATOM 862 CG LEU A 57 2.553 -5.678 -4.534 1.00 0.00 C ATOM 863 CD1 LEU A 57 2.751 -5.482 -3.006 1.00 0.00 C ATOM 864 CD2 LEU A 57 1.092 -5.475 -4.939 1.00 0.00 C ATOM 0 H LEU A 57 5.324 -3.550 -6.648 1.00 0.00 H new ATOM 0 HA LEU A 57 5.221 -4.855 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.274 -3.711 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.271 -4.873 -6.420 1.00 0.00 H new ATOM 0 HG LEU A 57 2.822 -6.709 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.077 -6.146 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.782 -5.715 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.533 -4.448 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.456 -6.134 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.805 -4.439 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.972 -5.707 -5.997 1.00 0.00 H new ATOM 876 N GLU A 58 5.813 -6.576 -6.819 1.00 0.00 N ATOM 877 CA GLU A 58 6.344 -7.851 -7.348 1.00 0.00 C ATOM 878 C GLU A 58 7.550 -8.329 -6.513 1.00 0.00 C ATOM 879 O GLU A 58 7.795 -9.536 -6.380 1.00 0.00 O ATOM 880 CB GLU A 58 6.741 -7.667 -8.834 1.00 0.00 C ATOM 881 CG GLU A 58 7.801 -6.570 -9.082 1.00 0.00 C ATOM 882 CD GLU A 58 8.180 -6.378 -10.559 1.00 0.00 C ATOM 883 OE1 GLU A 58 8.802 -7.295 -11.144 1.00 0.00 O ATOM 884 OE2 GLU A 58 7.857 -5.322 -11.147 1.00 0.00 O ATOM 0 H GLU A 58 5.814 -5.820 -7.503 1.00 0.00 H new ATOM 0 HA GLU A 58 5.570 -8.616 -7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.121 -8.615 -9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.847 -7.427 -9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.427 -5.625 -8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.700 -6.816 -8.517 1.00 0.00 H new ATOM 891 N LYS A 59 8.282 -7.351 -5.943 1.00 0.00 N ATOM 892 CA LYS A 59 9.386 -7.610 -5.026 1.00 0.00 C ATOM 893 C LYS A 59 8.862 -7.812 -3.587 1.00 0.00 C ATOM 894 O LYS A 59 9.244 -8.766 -2.939 1.00 0.00 O ATOM 895 CB LYS A 59 10.425 -6.457 -5.057 1.00 0.00 C ATOM 896 CG LYS A 59 11.522 -6.602 -3.982 1.00 0.00 C ATOM 897 CD LYS A 59 12.581 -5.491 -4.012 1.00 0.00 C ATOM 898 CE LYS A 59 13.521 -5.574 -2.798 1.00 0.00 C ATOM 899 NZ LYS A 59 14.180 -6.906 -2.667 1.00 0.00 N ATOM 0 H LYS A 59 8.115 -6.359 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 59 9.881 -8.524 -5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.892 -6.423 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.909 -5.507 -4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.052 -6.615 -2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.017 -7.564 -4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.164 -5.567 -4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.089 -4.518 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.286 -4.802 -2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.955 -5.363 -1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.748 -6.928 -1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.454 -7.650 -2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.798 -7.070 -3.488 1.00 0.00 H new ATOM 913 N TRP A 60 7.984 -6.898 -3.108 1.00 0.00 N ATOM 914 CA TRP A 60 7.515 -6.873 -1.692 1.00 0.00 C ATOM 915 C TRP A 60 6.765 -8.171 -1.319 1.00 0.00 C ATOM 916 O TRP A 60 6.916 -8.690 -0.205 1.00 0.00 O ATOM 917 CB TRP A 60 6.631 -5.625 -1.413 1.00 0.00 C ATOM 918 CG TRP A 60 7.358 -4.294 -1.500 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.684 -4.076 -1.790 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.791 -2.996 -1.269 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.949 -2.735 -1.788 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.816 -2.053 -1.464 1.00 0.00 C ATOM 923 CE3 TRP A 60 5.516 -2.543 -0.923 1.00 0.00 C ATOM 924 CZ2 TRP A 60 7.612 -0.692 -1.322 1.00 0.00 C ATOM 925 CZ3 TRP A 60 5.312 -1.181 -0.784 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.359 -0.271 -0.985 1.00 0.00 C ATOM 0 H TRP A 60 7.580 -6.160 -3.684 1.00 0.00 H new ATOM 0 HA TRP A 60 8.400 -6.808 -1.060 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.804 -5.618 -2.123 1.00 0.00 H new ATOM 0 HB3 TRP A 60 6.196 -5.721 -0.418 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.410 -4.850 -1.990 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.853 -2.312 -1.996 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.706 -3.241 -0.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 8.417 0.012 -1.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.332 -0.814 -0.517 1.00 0.00 H new ATOM 0 HH2 TRP A 60 6.170 0.786 -0.871 1.00 0.00 H new ATOM 937 N THR A 61 5.960 -8.669 -2.267 1.00 0.00 N ATOM 938 CA THR A 61 5.325 -9.988 -2.190 1.00 0.00 C ATOM 939 C THR A 61 6.387 -11.108 -2.138 1.00 0.00 C ATOM 940 O THR A 61 6.297 -12.012 -1.301 1.00 0.00 O ATOM 941 CB THR A 61 4.355 -10.198 -3.406 1.00 0.00 C ATOM 942 OG1 THR A 61 3.370 -9.146 -3.415 1.00 0.00 O ATOM 943 CG2 THR A 61 3.638 -11.560 -3.360 1.00 0.00 C ATOM 0 H THR A 61 5.730 -8.159 -3.120 1.00 0.00 H new ATOM 0 HA THR A 61 4.742 -10.035 -1.270 1.00 0.00 H new ATOM 0 HB THR A 61 4.959 -10.174 -4.313 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.763 -8.333 -3.796 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.980 -11.654 -4.224 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.377 -12.361 -3.378 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.049 -11.631 -2.445 1.00 0.00 H new ATOM 951 N GLN A 62 7.429 -11.003 -2.987 1.00 0.00 N ATOM 952 CA GLN A 62 8.519 -11.995 -3.087 1.00 0.00 C ATOM 953 C GLN A 62 9.359 -12.044 -1.792 1.00 0.00 C ATOM 954 O GLN A 62 9.878 -13.098 -1.441 1.00 0.00 O ATOM 955 CB GLN A 62 9.409 -11.687 -4.329 1.00 0.00 C ATOM 956 CG GLN A 62 10.564 -12.679 -4.598 1.00 0.00 C ATOM 957 CD GLN A 62 10.098 -14.124 -4.801 1.00 0.00 C ATOM 958 OE1 GLN A 62 9.758 -14.526 -5.911 1.00 0.00 O ATOM 959 NE2 GLN A 62 10.107 -14.923 -3.738 1.00 0.00 N ATOM 0 H GLN A 62 7.539 -10.219 -3.630 1.00 0.00 H new ATOM 0 HA GLN A 62 8.075 -12.982 -3.216 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.769 -11.657 -5.211 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.833 -10.690 -4.209 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.111 -12.355 -5.483 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.262 -12.646 -3.762 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.395 -14.560 -2.829 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.826 -15.899 -3.831 1.00 0.00 H new ATOM 968 N GLU A 63 9.463 -10.902 -1.080 1.00 0.00 N ATOM 969 CA GLU A 63 10.144 -10.826 0.224 1.00 0.00 C ATOM 970 C GLU A 63 9.427 -11.728 1.242 1.00 0.00 C ATOM 971 O GLU A 63 10.060 -12.521 1.938 1.00 0.00 O ATOM 972 CB GLU A 63 10.192 -9.363 0.751 1.00 0.00 C ATOM 973 CG GLU A 63 10.813 -8.332 -0.213 1.00 0.00 C ATOM 974 CD GLU A 63 12.202 -8.725 -0.741 1.00 0.00 C ATOM 975 OE1 GLU A 63 13.204 -8.519 -0.028 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.304 -9.233 -1.881 1.00 0.00 O ATOM 0 H GLU A 63 9.078 -10.011 -1.394 1.00 0.00 H new ATOM 0 HA GLU A 63 11.169 -11.171 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.176 -9.047 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.756 -9.349 1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.141 -8.191 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.888 -7.372 0.298 1.00 0.00 H new ATOM 983 N VAL A 64 8.088 -11.616 1.275 1.00 0.00 N ATOM 984 CA VAL A 64 7.224 -12.446 2.138 1.00 0.00 C ATOM 985 C VAL A 64 7.348 -13.942 1.755 1.00 0.00 C ATOM 986 O VAL A 64 7.498 -14.816 2.620 1.00 0.00 O ATOM 987 CB VAL A 64 5.721 -11.978 2.057 1.00 0.00 C ATOM 988 CG1 VAL A 64 4.803 -12.830 2.967 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.598 -10.474 2.394 1.00 0.00 C ATOM 0 H VAL A 64 7.572 -10.947 0.704 1.00 0.00 H new ATOM 0 HA VAL A 64 7.560 -12.322 3.167 1.00 0.00 H new ATOM 0 HB VAL A 64 5.385 -12.128 1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.776 -12.475 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.853 -13.874 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.133 -12.741 4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.553 -10.172 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.968 -10.296 3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.186 -9.893 1.684 1.00 0.00 H new ATOM 999 N ASN A 65 7.313 -14.197 0.433 1.00 0.00 N ATOM 1000 CA ASN A 65 7.417 -15.548 -0.164 1.00 0.00 C ATOM 1001 C ASN A 65 8.798 -16.200 0.062 1.00 0.00 C ATOM 1002 O ASN A 65 8.890 -17.431 0.134 1.00 0.00 O ATOM 1003 CB ASN A 65 7.067 -15.503 -1.689 1.00 0.00 C ATOM 1004 CG ASN A 65 5.559 -15.607 -1.962 1.00 0.00 C ATOM 1005 OD1 ASN A 65 5.027 -16.701 -2.169 1.00 0.00 O ATOM 1006 ND2 ASN A 65 4.855 -14.484 -1.943 1.00 0.00 N ATOM 0 H ASN A 65 7.210 -13.460 -0.264 1.00 0.00 H new ATOM 0 HA ASN A 65 6.690 -16.176 0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.445 -14.574 -2.116 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.580 -16.319 -2.198 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.848 -14.511 -2.102 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.320 -13.593 -1.769 1.00 0.00 H new ATOM 1013 N ASP A 66 9.861 -15.388 0.184 1.00 0.00 N ATOM 1014 CA ASP A 66 11.245 -15.861 0.411 1.00 0.00 C ATOM 1015 C ASP A 66 11.538 -15.993 1.922 1.00 0.00 C ATOM 1016 O ASP A 66 12.458 -16.712 2.332 1.00 0.00 O ATOM 1017 CB ASP A 66 12.252 -14.863 -0.241 1.00 0.00 C ATOM 1018 CG ASP A 66 13.717 -15.360 -0.218 1.00 0.00 C ATOM 1019 OD1 ASP A 66 14.111 -16.112 -1.131 1.00 0.00 O ATOM 1020 OD2 ASP A 66 14.482 -14.996 0.706 1.00 0.00 O ATOM 0 H ASP A 66 9.787 -14.372 0.128 1.00 0.00 H new ATOM 0 HA ASP A 66 11.358 -16.844 -0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.954 -14.682 -1.274 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.193 -13.907 0.280 1.00 0.00 H new ATOM 1025 N GLY A 67 10.708 -15.319 2.740 1.00 0.00 N ATOM 1026 CA GLY A 67 10.907 -15.256 4.194 1.00 0.00 C ATOM 1027 C GLY A 67 11.774 -14.083 4.647 1.00 0.00 C ATOM 1028 O GLY A 67 12.156 -14.021 5.821 1.00 0.00 O ATOM 0 H GLY A 67 9.888 -14.808 2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.935 -15.187 4.682 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.366 -16.186 4.529 1.00 0.00 H new ATOM 1032 N LYS A 68 12.071 -13.148 3.719 1.00 0.00 N ATOM 1033 CA LYS A 68 12.776 -11.887 4.042 1.00 0.00 C ATOM 1034 C LYS A 68 11.872 -10.990 4.906 1.00 0.00 C ATOM 1035 O LYS A 68 12.350 -10.241 5.766 1.00 0.00 O ATOM 1036 CB LYS A 68 13.140 -11.090 2.759 1.00 0.00 C ATOM 1037 CG LYS A 68 14.156 -11.745 1.808 1.00 0.00 C ATOM 1038 CD LYS A 68 15.552 -11.963 2.454 1.00 0.00 C ATOM 1039 CE LYS A 68 16.696 -12.003 1.416 1.00 0.00 C ATOM 1040 NZ LYS A 68 16.420 -12.921 0.284 1.00 0.00 N ATOM 0 H LYS A 68 11.831 -13.244 2.732 1.00 0.00 H new ATOM 0 HA LYS A 68 13.689 -12.156 4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.222 -10.904 2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.532 -10.119 3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.764 -12.706 1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.267 -11.121 0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.745 -11.163 3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.545 -12.897 3.015 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.863 -10.998 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.617 -12.311 1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.294 -13.420 0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.698 -13.614 0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.074 -12.374 -0.530 1.00 0.00 H new ATOM 1054 N ALA A 69 10.560 -11.093 4.648 1.00 0.00 N ATOM 1055 CA ALA A 69 9.542 -10.218 5.231 1.00 0.00 C ATOM 1056 C ALA A 69 8.349 -11.030 5.707 1.00 0.00 C ATOM 1057 O ALA A 69 8.185 -12.195 5.343 1.00 0.00 O ATOM 1058 CB ALA A 69 9.075 -9.182 4.194 1.00 0.00 C ATOM 0 H ALA A 69 10.175 -11.798 4.019 1.00 0.00 H new ATOM 0 HA ALA A 69 9.984 -9.703 6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.318 -8.537 4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.924 -8.578 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.651 -9.696 3.331 1.00 0.00 H new ATOM 1064 N THR A 70 7.530 -10.380 6.531 1.00 0.00 N ATOM 1065 CA THR A 70 6.200 -10.853 6.909 1.00 0.00 C ATOM 1066 C THR A 70 5.168 -9.998 6.160 1.00 0.00 C ATOM 1067 O THR A 70 5.460 -8.855 5.753 1.00 0.00 O ATOM 1068 CB THR A 70 5.990 -10.787 8.468 1.00 0.00 C ATOM 1069 OG1 THR A 70 4.729 -11.375 8.833 1.00 0.00 O ATOM 1070 CG2 THR A 70 6.055 -9.347 9.021 1.00 0.00 C ATOM 0 H THR A 70 7.778 -9.490 6.964 1.00 0.00 H new ATOM 0 HA THR A 70 6.081 -11.901 6.632 1.00 0.00 H new ATOM 0 HB THR A 70 6.811 -11.351 8.911 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.615 -11.327 9.805 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.903 -9.365 10.100 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.031 -8.916 8.799 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.277 -8.743 8.555 1.00 0.00 H new ATOM 1078 N THR A 71 3.982 -10.583 5.952 1.00 0.00 N ATOM 1079 CA THR A 71 2.873 -9.948 5.233 1.00 0.00 C ATOM 1080 C THR A 71 2.412 -8.669 5.972 1.00 0.00 C ATOM 1081 O THR A 71 1.990 -7.689 5.351 1.00 0.00 O ATOM 1082 CB THR A 71 1.679 -10.951 5.084 1.00 0.00 C ATOM 1083 OG1 THR A 71 2.172 -12.257 4.748 1.00 0.00 O ATOM 1084 CG2 THR A 71 0.703 -10.498 3.999 1.00 0.00 C ATOM 0 H THR A 71 3.764 -11.523 6.283 1.00 0.00 H new ATOM 0 HA THR A 71 3.219 -9.667 4.238 1.00 0.00 H new ATOM 0 HB THR A 71 1.154 -10.982 6.039 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.419 -12.878 4.659 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.113 -11.216 3.921 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.301 -9.518 4.257 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.224 -10.436 3.044 1.00 0.00 H new ATOM 1092 N GLU A 72 2.534 -8.711 7.311 1.00 0.00 N ATOM 1093 CA GLU A 72 2.221 -7.598 8.221 1.00 0.00 C ATOM 1094 C GLU A 72 3.073 -6.343 7.911 1.00 0.00 C ATOM 1095 O GLU A 72 2.544 -5.226 7.868 1.00 0.00 O ATOM 1096 CB GLU A 72 2.394 -8.094 9.698 1.00 0.00 C ATOM 1097 CG GLU A 72 2.097 -7.055 10.821 1.00 0.00 C ATOM 1098 CD GLU A 72 3.335 -6.274 11.313 1.00 0.00 C ATOM 1099 OE1 GLU A 72 4.108 -6.830 12.123 1.00 0.00 O ATOM 1100 OE2 GLU A 72 3.555 -5.119 10.878 1.00 0.00 O ATOM 0 H GLU A 72 2.862 -9.543 7.802 1.00 0.00 H new ATOM 0 HA GLU A 72 1.186 -7.287 8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.741 -8.954 9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.418 -8.446 9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.356 -6.344 10.454 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.649 -7.573 11.669 1.00 0.00 H new ATOM 1107 N GLN A 73 4.377 -6.554 7.620 1.00 0.00 N ATOM 1108 CA GLN A 73 5.369 -5.462 7.475 1.00 0.00 C ATOM 1109 C GLN A 73 4.999 -4.471 6.352 1.00 0.00 C ATOM 1110 O GLN A 73 5.320 -3.284 6.433 1.00 0.00 O ATOM 1111 CB GLN A 73 6.788 -6.039 7.203 1.00 0.00 C ATOM 1112 CG GLN A 73 7.920 -4.981 7.189 1.00 0.00 C ATOM 1113 CD GLN A 73 9.291 -5.498 6.744 1.00 0.00 C ATOM 1114 OE1 GLN A 73 9.313 -6.415 5.794 1.00 0.00 O flip ATOM 1115 NE2 GLN A 73 10.328 -5.033 7.223 1.00 0.00 N flip ATOM 0 H GLN A 73 4.771 -7.484 7.479 1.00 0.00 H new ATOM 0 HA GLN A 73 5.365 -4.917 8.419 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.015 -6.785 7.964 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.779 -6.555 6.243 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.625 -4.166 6.528 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.015 -4.561 8.190 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.279 -4.325 7.956 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.235 -5.356 6.886 1.00 0.00 H new ATOM 1124 N TYR A 74 4.355 -4.981 5.297 1.00 0.00 N ATOM 1125 CA TYR A 74 3.967 -4.166 4.135 1.00 0.00 C ATOM 1126 C TYR A 74 2.454 -3.890 4.122 1.00 0.00 C ATOM 1127 O TYR A 74 2.034 -2.735 4.146 1.00 0.00 O ATOM 1128 CB TYR A 74 4.435 -4.861 2.829 1.00 0.00 C ATOM 1129 CG TYR A 74 5.970 -4.870 2.666 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.653 -3.701 2.320 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.734 -6.025 2.867 1.00 0.00 C ATOM 1132 CE1 TYR A 74 8.027 -3.681 2.187 1.00 0.00 C ATOM 1133 CE2 TYR A 74 8.117 -6.002 2.728 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.756 -4.830 2.387 1.00 0.00 C ATOM 1135 OH TYR A 74 10.130 -4.793 2.265 1.00 0.00 O ATOM 0 H TYR A 74 4.088 -5.963 5.222 1.00 0.00 H new ATOM 0 HA TYR A 74 4.460 -3.197 4.206 1.00 0.00 H new ATOM 0 HB2 TYR A 74 4.068 -5.887 2.819 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.988 -4.354 1.974 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.093 -2.793 2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.242 -6.948 3.134 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.530 -2.762 1.926 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.691 -6.903 2.887 1.00 0.00 H new ATOM 0 HH TYR A 74 10.498 -5.685 2.438 1.00 0.00 H new ATOM 1145 N PHE A 75 1.645 -4.961 4.099 1.00 0.00 N ATOM 1146 CA PHE A 75 0.198 -4.900 3.815 1.00 0.00 C ATOM 1147 C PHE A 75 -0.641 -4.177 4.905 1.00 0.00 C ATOM 1148 O PHE A 75 -1.761 -3.767 4.607 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.348 -6.328 3.525 1.00 0.00 C ATOM 1150 CG PHE A 75 0.183 -6.961 2.225 1.00 0.00 C ATOM 1151 CD1 PHE A 75 1.502 -7.418 2.128 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.640 -7.111 1.107 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.981 -7.988 0.960 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -0.159 -7.683 -0.062 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.147 -8.125 -0.133 1.00 0.00 C ATOM 0 H PHE A 75 1.980 -5.907 4.279 1.00 0.00 H new ATOM 0 HA PHE A 75 0.085 -4.280 2.926 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.093 -6.978 4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.436 -6.285 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.159 -7.325 2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.666 -6.777 1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.006 -8.325 0.904 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.808 -7.783 -0.919 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.516 -8.577 -1.042 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.132 -4.026 6.156 1.00 0.00 N ATOM 1166 CA VAL A 76 -0.779 -3.113 7.142 1.00 0.00 C ATOM 1167 C VAL A 76 -0.631 -1.666 6.635 1.00 0.00 C ATOM 1168 O VAL A 76 0.468 -1.250 6.326 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.188 -3.230 8.598 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.852 -2.220 9.568 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.330 -4.659 9.153 1.00 0.00 C ATOM 0 H VAL A 76 0.699 -4.507 6.501 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.826 -3.406 7.219 1.00 0.00 H new ATOM 0 HB VAL A 76 0.873 -2.990 8.524 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.418 -2.331 10.562 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.682 -1.205 9.209 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.924 -2.413 9.616 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.088 -4.702 10.159 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.384 -4.933 9.187 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.206 -5.355 8.507 1.00 0.00 H new ATOM 1181 N LEU A 77 -1.739 -0.915 6.593 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.845 0.313 5.775 1.00 0.00 C ATOM 1183 C LEU A 77 -0.918 1.449 6.252 1.00 0.00 C ATOM 1184 O LEU A 77 -0.440 2.235 5.436 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.297 0.814 5.720 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.385 -0.243 5.351 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -5.693 0.457 4.982 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -3.928 -1.219 4.235 1.00 0.00 C ATOM 0 H LEU A 77 -2.585 -1.134 7.119 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.516 0.031 4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.549 1.238 6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.350 1.626 4.995 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.551 -0.860 6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.445 -0.289 4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.041 1.048 5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.526 1.112 4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.727 -1.929 4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.695 -0.655 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.041 -1.759 4.565 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.714 1.553 7.576 1.00 0.00 N ATOM 1201 CA LYS A 78 0.235 2.525 8.169 1.00 0.00 C ATOM 1202 C LYS A 78 1.686 2.197 7.762 1.00 0.00 C ATOM 1203 O LYS A 78 2.491 3.100 7.497 1.00 0.00 O ATOM 1204 CB LYS A 78 0.078 2.568 9.716 1.00 0.00 C ATOM 1205 CG LYS A 78 0.353 1.230 10.439 1.00 0.00 C ATOM 1206 CD LYS A 78 -0.015 1.271 11.940 1.00 0.00 C ATOM 1207 CE LYS A 78 0.283 -0.052 12.663 1.00 0.00 C ATOM 1208 NZ LYS A 78 1.734 -0.378 12.672 1.00 0.00 N ATOM 0 H LYS A 78 -1.195 0.974 8.264 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.000 3.516 7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.755 3.324 10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.936 2.891 9.954 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.214 0.437 9.952 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.408 0.977 10.335 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.538 2.076 12.423 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.074 1.506 12.043 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.080 0.008 13.689 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.265 -0.860 12.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.890 -1.252 13.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.066 -0.512 11.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.262 0.402 13.113 1.00 0.00 H new ATOM 1222 N ASN A 79 1.989 0.891 7.677 1.00 0.00 N ATOM 1223 CA ASN A 79 3.318 0.391 7.293 1.00 0.00 C ATOM 1224 C ASN A 79 3.536 0.595 5.786 1.00 0.00 C ATOM 1225 O ASN A 79 4.608 1.019 5.360 1.00 0.00 O ATOM 1226 CB ASN A 79 3.465 -1.108 7.655 1.00 0.00 C ATOM 1227 CG ASN A 79 3.255 -1.430 9.135 1.00 0.00 C ATOM 1228 OD1 ASN A 79 3.380 -0.573 10.011 1.00 0.00 O ATOM 1229 ND2 ASN A 79 2.977 -2.686 9.416 1.00 0.00 N ATOM 0 H ASN A 79 1.316 0.150 7.874 1.00 0.00 H new ATOM 0 HA ASN A 79 4.073 0.952 7.844 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.749 -1.682 7.067 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.460 -1.443 7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.858 -2.977 10.386 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.881 -3.368 8.663 1.00 0.00 H new ATOM 1236 N LEU A 80 2.505 0.257 4.992 1.00 0.00 N ATOM 1237 CA LEU A 80 2.436 0.532 3.549 1.00 0.00 C ATOM 1238 C LEU A 80 2.694 2.021 3.266 1.00 0.00 C ATOM 1239 O LEU A 80 3.541 2.359 2.449 1.00 0.00 O ATOM 1240 CB LEU A 80 1.040 0.117 3.006 1.00 0.00 C ATOM 1241 CG LEU A 80 0.803 0.310 1.474 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.758 -0.575 0.631 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -0.674 0.060 1.101 1.00 0.00 C ATOM 0 H LEU A 80 1.679 -0.226 5.345 1.00 0.00 H new ATOM 0 HA LEU A 80 3.207 -0.049 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.879 -0.934 3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.282 0.687 3.543 1.00 0.00 H new ATOM 0 HG LEU A 80 1.033 1.349 1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.563 -0.413 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.791 -0.310 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.591 -1.624 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.807 0.202 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.949 -0.960 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.310 0.761 1.642 1.00 0.00 H new ATOM 1255 N ALA A 81 2.000 2.884 4.022 1.00 0.00 N ATOM 1256 CA ALA A 81 2.096 4.349 3.897 1.00 0.00 C ATOM 1257 C ALA A 81 3.488 4.858 4.313 1.00 0.00 C ATOM 1258 O ALA A 81 3.937 5.896 3.837 1.00 0.00 O ATOM 1259 CB ALA A 81 1.001 5.031 4.728 1.00 0.00 C ATOM 0 H ALA A 81 1.348 2.583 4.746 1.00 0.00 H new ATOM 0 HA ALA A 81 1.949 4.605 2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.086 6.113 4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.022 4.709 4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.116 4.757 5.777 1.00 0.00 H new ATOM 1265 N ALA A 82 4.160 4.110 5.206 1.00 0.00 N ATOM 1266 CA ALA A 82 5.540 4.415 5.624 1.00 0.00 C ATOM 1267 C ALA A 82 6.535 4.103 4.479 1.00 0.00 C ATOM 1268 O ALA A 82 7.443 4.898 4.191 1.00 0.00 O ATOM 1269 CB ALA A 82 5.884 3.617 6.891 1.00 0.00 C ATOM 0 H ALA A 82 3.766 3.283 5.655 1.00 0.00 H new ATOM 0 HA ALA A 82 5.620 5.478 5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.905 3.844 7.198 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.195 3.889 7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.796 2.550 6.684 1.00 0.00 H new ATOM 1275 N ARG A 83 6.334 2.931 3.837 1.00 0.00 N ATOM 1276 CA ARG A 83 7.141 2.471 2.684 1.00 0.00 C ATOM 1277 C ARG A 83 6.984 3.411 1.474 1.00 0.00 C ATOM 1278 O ARG A 83 7.949 3.695 0.762 1.00 0.00 O ATOM 1279 CB ARG A 83 6.726 1.032 2.267 1.00 0.00 C ATOM 1280 CG ARG A 83 6.892 -0.054 3.349 1.00 0.00 C ATOM 1281 CD ARG A 83 8.326 -0.138 3.905 1.00 0.00 C ATOM 1282 NE ARG A 83 9.336 -0.299 2.843 1.00 0.00 N ATOM 1283 CZ ARG A 83 10.405 -1.097 2.897 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.564 -1.957 3.886 1.00 0.00 N ATOM 1285 NH2 ARG A 83 11.307 -1.036 1.937 1.00 0.00 N ATOM 0 H ARG A 83 5.602 2.273 4.106 1.00 0.00 H new ATOM 0 HA ARG A 83 8.185 2.476 2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.682 1.051 1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.313 0.743 1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.202 0.149 4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.614 -1.021 2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.544 0.765 4.475 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.395 -0.977 4.597 1.00 0.00 H new ATOM 0 HE ARG A 83 9.207 0.248 1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.864 -2.020 4.625 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.387 -2.559 3.911 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.184 -0.383 1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.127 -1.641 1.969 1.00 0.00 H new ATOM 1299 N ILE A 84 5.748 3.876 1.268 1.00 0.00 N ATOM 1300 CA ILE A 84 5.393 4.799 0.183 1.00 0.00 C ATOM 1301 C ILE A 84 5.986 6.189 0.457 1.00 0.00 C ATOM 1302 O ILE A 84 6.507 6.825 -0.454 1.00 0.00 O ATOM 1303 CB ILE A 84 3.833 4.876 0.017 1.00 0.00 C ATOM 1304 CG1 ILE A 84 3.289 3.495 -0.453 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.384 6.013 -0.939 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.784 3.367 -0.403 1.00 0.00 C ATOM 0 H ILE A 84 4.955 3.620 1.857 1.00 0.00 H new ATOM 0 HA ILE A 84 5.813 4.425 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 84 3.408 5.120 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.623 3.315 -1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.729 2.715 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.297 6.017 -1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.724 6.972 -0.549 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.815 5.850 -1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.492 2.375 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.440 3.512 0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.333 4.122 -1.047 1.00 0.00 H new ATOM 1318 N ASP A 85 5.884 6.644 1.720 1.00 0.00 N ATOM 1319 CA ASP A 85 6.540 7.884 2.191 1.00 0.00 C ATOM 1320 C ASP A 85 8.059 7.863 1.902 1.00 0.00 C ATOM 1321 O ASP A 85 8.650 8.881 1.546 1.00 0.00 O ATOM 1322 CB ASP A 85 6.292 8.085 3.700 1.00 0.00 C ATOM 1323 CG ASP A 85 6.796 9.437 4.217 1.00 0.00 C ATOM 1324 OD1 ASP A 85 6.035 10.424 4.162 1.00 0.00 O ATOM 1325 OD2 ASP A 85 7.958 9.531 4.669 1.00 0.00 O ATOM 0 H ASP A 85 5.347 6.166 2.443 1.00 0.00 H new ATOM 0 HA ASP A 85 6.102 8.719 1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.224 8.001 3.901 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.784 7.285 4.253 1.00 0.00 H new ATOM 1330 N GLU A 86 8.657 6.676 2.058 1.00 0.00 N ATOM 1331 CA GLU A 86 10.082 6.447 1.764 1.00 0.00 C ATOM 1332 C GLU A 86 10.355 6.579 0.244 1.00 0.00 C ATOM 1333 O GLU A 86 11.322 7.235 -0.166 1.00 0.00 O ATOM 1334 CB GLU A 86 10.500 5.057 2.334 1.00 0.00 C ATOM 1335 CG GLU A 86 12.011 4.703 2.231 1.00 0.00 C ATOM 1336 CD GLU A 86 12.347 3.722 1.096 1.00 0.00 C ATOM 1337 OE1 GLU A 86 12.577 4.165 -0.047 1.00 0.00 O ATOM 1338 OE2 GLU A 86 12.361 2.492 1.344 1.00 0.00 O ATOM 0 H GLU A 86 8.169 5.845 2.392 1.00 0.00 H new ATOM 0 HA GLU A 86 10.694 7.207 2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.208 5.014 3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.931 4.287 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.580 5.621 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.338 4.273 3.178 1.00 0.00 H new ATOM 1345 N LEU A 87 9.475 5.979 -0.572 1.00 0.00 N ATOM 1346 CA LEU A 87 9.574 6.010 -2.049 1.00 0.00 C ATOM 1347 C LEU A 87 9.408 7.443 -2.624 1.00 0.00 C ATOM 1348 O LEU A 87 10.142 7.836 -3.542 1.00 0.00 O ATOM 1349 CB LEU A 87 8.530 5.052 -2.681 1.00 0.00 C ATOM 1350 CG LEU A 87 8.712 3.528 -2.373 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.579 2.692 -3.001 1.00 0.00 C ATOM 1352 CD2 LEU A 87 10.102 3.015 -2.833 1.00 0.00 C ATOM 0 H LEU A 87 8.669 5.455 -0.230 1.00 0.00 H new ATOM 0 HA LEU A 87 10.577 5.673 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.539 5.354 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.552 5.188 -3.762 1.00 0.00 H new ATOM 0 HG LEU A 87 8.658 3.407 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.733 1.638 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.620 3.016 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.581 2.830 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.192 1.953 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.207 3.164 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.884 3.567 -2.312 1.00 0.00 H new ATOM 1364 N VAL A 88 8.442 8.214 -2.087 1.00 0.00 N ATOM 1365 CA VAL A 88 8.172 9.599 -2.537 1.00 0.00 C ATOM 1366 C VAL A 88 9.283 10.554 -2.063 1.00 0.00 C ATOM 1367 O VAL A 88 9.553 11.576 -2.700 1.00 0.00 O ATOM 1368 CB VAL A 88 6.759 10.130 -2.067 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.619 9.198 -2.541 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.686 10.346 -0.542 1.00 0.00 C ATOM 0 H VAL A 88 7.829 7.900 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 88 8.160 9.574 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 88 6.625 11.104 -2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.661 9.592 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.623 9.143 -3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.768 8.201 -2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.695 10.711 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.876 9.402 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.436 11.078 -0.242 1.00 0.00 H new ATOM 1380 N ALA A 89 9.895 10.213 -0.920 1.00 0.00 N ATOM 1381 CA ALA A 89 11.062 10.943 -0.410 1.00 0.00 C ATOM 1382 C ALA A 89 12.275 10.738 -1.343 1.00 0.00 C ATOM 1383 O ALA A 89 13.033 11.677 -1.601 1.00 0.00 O ATOM 1384 CB ALA A 89 11.395 10.498 1.022 1.00 0.00 C ATOM 0 H ALA A 89 9.600 9.434 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 89 10.822 12.006 -0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.263 11.051 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.543 10.697 1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.616 9.431 1.029 1.00 0.00 H new ATOM 1390 N ALA A 90 12.440 9.494 -1.834 1.00 0.00 N ATOM 1391 CA ALA A 90 13.545 9.110 -2.743 1.00 0.00 C ATOM 1392 C ALA A 90 13.536 9.875 -4.093 1.00 0.00 C ATOM 1393 O ALA A 90 14.608 10.188 -4.627 1.00 0.00 O ATOM 1394 CB ALA A 90 13.526 7.598 -2.971 1.00 0.00 C ATOM 0 H ALA A 90 11.810 8.723 -1.612 1.00 0.00 H new ATOM 0 HA ALA A 90 14.474 9.397 -2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.341 7.321 -3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.649 7.085 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.575 7.309 -3.418 1.00 0.00 H new