USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 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 Single : A 12 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 15 CYS SG : rot 22:sc= 0.368 USER MOD Single : A 17 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.039) USER MOD Single : A 19 GLN : amide:sc=-0.00724 X(o=-0.0072,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0129 K(o=-0.013,f=-1.3) USER MOD Single : A 25 TYR OH : rot 174:sc= -0.501 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0359) USER MOD Single : A 36 HIS : no HD1:sc= -0.566 K(o=-0.57,f=-1.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.37) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 27:sc= 0.0623 USER MOD Single : A 59 ASN : amide:sc= 0.0668 K(o=0.067,f=-3.4!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc=-0.00209 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 27:sc= 0.393 USER MOD Single : A 69 ASN : amide:sc= -0.0423 X(o=-0.042,f=-0.042) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.782 15.018 11.423 1.00 0.00 N ATOM 67 CA LEU A 8 6.396 14.818 12.732 1.00 0.00 C ATOM 68 C LEU A 8 5.941 13.500 13.350 1.00 0.00 C ATOM 69 O LEU A 8 4.801 13.075 13.164 1.00 0.00 O ATOM 70 CB LEU A 8 6.046 15.979 13.664 1.00 0.00 C ATOM 71 CG LEU A 8 6.594 17.349 13.264 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.808 18.459 13.946 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.073 17.453 13.607 1.00 0.00 C ATOM 0 HA LEU A 8 7.477 14.782 12.598 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.960 16.050 13.732 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.413 15.741 14.662 1.00 0.00 H new ATOM 0 HG LEU A 8 6.482 17.462 12.186 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.213 19.427 13.649 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.761 18.398 13.651 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.887 18.349 15.028 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.446 18.435 13.315 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.208 17.318 14.680 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.626 16.681 13.072 1.00 0.00 H new ATOM 85 N ARG A 9 6.841 12.858 14.089 1.00 0.00 N ATOM 86 CA ARG A 9 6.532 11.589 14.737 1.00 0.00 C ATOM 87 C ARG A 9 6.840 11.651 16.230 1.00 0.00 C ATOM 88 O ARG A 9 7.311 12.671 16.735 1.00 0.00 O ATOM 89 CB ARG A 9 7.328 10.454 14.088 1.00 0.00 C ATOM 90 CG ARG A 9 6.741 9.975 12.770 1.00 0.00 C ATOM 91 CD ARG A 9 5.375 9.338 12.968 1.00 0.00 C ATOM 92 NE ARG A 9 5.390 8.325 14.020 1.00 0.00 N ATOM 93 CZ ARG A 9 4.293 7.772 14.523 1.00 0.00 C ATOM 94 NH1 ARG A 9 3.099 8.131 14.073 1.00 0.00 N ATOM 95 NH2 ARG A 9 4.388 6.856 15.479 1.00 0.00 N ATOM 0 H ARG A 9 7.789 13.196 14.254 1.00 0.00 H new ATOM 0 HA ARG A 9 5.467 11.396 14.611 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.351 10.789 13.920 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.378 9.614 14.781 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.655 10.816 12.082 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.417 9.254 12.310 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.648 10.110 13.219 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.048 8.884 12.033 1.00 0.00 H new ATOM 0 HE ARG A 9 6.293 8.026 14.388 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.021 8.834 13.338 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.258 7.704 14.462 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.305 6.576 15.828 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.544 6.432 15.865 1.00 0.00 H new ATOM 109 N ARG A 10 6.571 10.555 16.931 1.00 0.00 N ATOM 110 CA ARG A 10 6.817 10.485 18.366 1.00 0.00 C ATOM 111 C ARG A 10 7.321 9.101 18.765 1.00 0.00 C ATOM 112 O ARG A 10 6.638 8.098 18.560 1.00 0.00 O ATOM 113 CB ARG A 10 5.541 10.818 19.141 1.00 0.00 C ATOM 114 CG ARG A 10 5.359 12.304 19.406 1.00 0.00 C ATOM 115 CD ARG A 10 3.904 12.645 19.687 1.00 0.00 C ATOM 116 NE ARG A 10 3.079 12.556 18.485 1.00 0.00 N ATOM 117 CZ ARG A 10 1.751 12.529 18.506 1.00 0.00 C ATOM 118 NH1 ARG A 10 1.101 12.584 19.661 1.00 0.00 N ATOM 119 NH2 ARG A 10 1.070 12.447 17.371 1.00 0.00 N ATOM 0 H ARG A 10 6.182 9.702 16.528 1.00 0.00 H new ATOM 0 HA ARG A 10 7.585 11.217 18.613 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.680 10.449 18.583 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.555 10.287 20.093 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.974 12.601 20.255 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.708 12.874 18.545 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.513 11.967 20.446 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.840 13.653 20.096 1.00 0.00 H new ATOM 0 HE ARG A 10 3.548 12.512 17.580 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.621 12.647 20.536 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.081 12.563 19.674 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.566 12.405 16.481 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.050 12.426 17.388 1.00 0.00 H new ATOM 133 N ALA A 11 8.521 9.055 19.335 1.00 0.00 N ATOM 134 CA ALA A 11 9.115 7.795 19.764 1.00 0.00 C ATOM 135 C ALA A 11 10.083 8.011 20.922 1.00 0.00 C ATOM 136 O ALA A 11 10.629 9.102 21.094 1.00 0.00 O ATOM 137 CB ALA A 11 9.825 7.123 18.598 1.00 0.00 C ATOM 0 H ALA A 11 9.101 9.876 19.510 1.00 0.00 H new ATOM 0 HA ALA A 11 8.314 7.143 20.112 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.264 6.183 18.932 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.108 6.925 17.801 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.612 7.778 18.225 1.00 0.00 H new ATOM 143 N THR A 12 10.292 6.965 21.716 1.00 0.00 N ATOM 144 CA THR A 12 11.193 7.041 22.859 1.00 0.00 C ATOM 145 C THR A 12 12.575 6.505 22.506 1.00 0.00 C ATOM 146 O THR A 12 12.714 5.633 21.648 1.00 0.00 O ATOM 147 CB THR A 12 10.641 6.253 24.062 1.00 0.00 C ATOM 148 OG1 THR A 12 10.011 5.048 23.611 1.00 0.00 O ATOM 149 CG2 THR A 12 9.642 7.091 24.846 1.00 0.00 C ATOM 0 H THR A 12 9.849 6.055 21.588 1.00 0.00 H new ATOM 0 HA THR A 12 11.273 8.094 23.129 1.00 0.00 H new ATOM 0 HB THR A 12 11.475 6.003 24.718 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.664 4.552 24.382 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.266 6.513 25.690 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.132 7.993 25.213 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.811 7.368 24.197 1.00 0.00 H new ATOM 157 N VAL A 13 13.597 7.031 23.174 1.00 0.00 N ATOM 158 CA VAL A 13 14.970 6.604 22.932 1.00 0.00 C ATOM 159 C VAL A 13 15.316 5.371 23.759 1.00 0.00 C ATOM 160 O VAL A 13 14.819 5.199 24.872 1.00 0.00 O ATOM 161 CB VAL A 13 15.973 7.726 23.259 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.382 7.317 22.858 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.568 9.020 22.570 1.00 0.00 C ATOM 0 H VAL A 13 13.500 7.754 23.887 1.00 0.00 H new ATOM 0 HA VAL A 13 15.043 6.359 21.872 1.00 0.00 H new ATOM 0 HB VAL A 13 15.963 7.896 24.336 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.077 8.122 23.097 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.669 6.417 23.403 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.412 7.118 21.787 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.288 9.802 22.812 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.548 8.867 21.491 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.578 9.320 22.912 1.00 0.00 H new ATOM 173 N GLU A 14 16.171 4.515 23.207 1.00 0.00 N ATOM 174 CA GLU A 14 16.583 3.297 23.895 1.00 0.00 C ATOM 175 C GLU A 14 17.668 3.595 24.925 1.00 0.00 C ATOM 176 O GLU A 14 17.448 3.464 26.130 1.00 0.00 O ATOM 177 CB GLU A 14 17.090 2.263 22.888 1.00 0.00 C ATOM 178 CG GLU A 14 17.090 0.841 23.423 1.00 0.00 C ATOM 179 CD GLU A 14 17.010 -0.197 22.321 1.00 0.00 C ATOM 180 OE1 GLU A 14 17.738 -0.052 21.317 1.00 0.00 O ATOM 181 OE2 GLU A 14 16.221 -1.154 22.463 1.00 0.00 O ATOM 0 H GLU A 14 16.591 4.643 22.286 1.00 0.00 H new ATOM 0 HA GLU A 14 15.715 2.892 24.415 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.469 2.305 21.993 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.103 2.529 22.586 1.00 0.00 H new ATOM 0 HG2 GLU A 14 17.996 0.677 24.007 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.246 0.712 24.101 1.00 0.00 H new ATOM 188 N CYS A 15 18.840 3.994 24.443 1.00 0.00 N ATOM 189 CA CYS A 15 19.961 4.309 25.321 1.00 0.00 C ATOM 190 C CYS A 15 20.837 5.400 24.714 1.00 0.00 C ATOM 191 O CYS A 15 21.206 5.334 23.541 1.00 0.00 O ATOM 192 CB CYS A 15 20.796 3.055 25.586 1.00 0.00 C ATOM 193 SG CYS A 15 20.114 1.969 26.860 1.00 0.00 S ATOM 0 H CYS A 15 19.038 4.107 23.449 1.00 0.00 H new ATOM 0 HA CYS A 15 19.559 4.675 26.266 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.892 2.492 24.657 1.00 0.00 H new ATOM 0 HB3 CYS A 15 21.801 3.357 25.881 1.00 0.00 H new ATOM 0 HG CYS A 15 18.842 2.202 26.993 1.00 0.00 H new ATOM 199 N VAL A 16 21.166 6.404 25.520 1.00 0.00 N ATOM 200 CA VAL A 16 21.999 7.510 25.063 1.00 0.00 C ATOM 201 C VAL A 16 23.233 7.670 25.943 1.00 0.00 C ATOM 202 O VAL A 16 23.155 8.199 27.052 1.00 0.00 O ATOM 203 CB VAL A 16 21.215 8.836 25.052 1.00 0.00 C ATOM 204 CG1 VAL A 16 22.046 9.943 24.424 1.00 0.00 C ATOM 205 CG2 VAL A 16 19.894 8.667 24.317 1.00 0.00 C ATOM 0 H VAL A 16 20.868 6.474 26.493 1.00 0.00 H new ATOM 0 HA VAL A 16 22.310 7.272 24.046 1.00 0.00 H new ATOM 0 HB VAL A 16 20.998 9.118 26.082 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.475 10.872 24.425 1.00 0.00 H new ATOM 0 HG12 VAL A 16 22.963 10.080 24.997 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.297 9.673 23.398 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.353 9.613 24.319 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.086 8.361 23.289 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.295 7.906 24.816 1.00 0.00 H new ATOM 215 N LYS A 17 24.374 7.208 25.442 1.00 0.00 N ATOM 216 CA LYS A 17 25.628 7.300 26.181 1.00 0.00 C ATOM 217 C LYS A 17 26.683 8.047 25.372 1.00 0.00 C ATOM 218 O LYS A 17 27.381 8.915 25.896 1.00 0.00 O ATOM 219 CB LYS A 17 26.138 5.902 26.537 1.00 0.00 C ATOM 220 CG LYS A 17 25.279 5.184 27.564 1.00 0.00 C ATOM 221 CD LYS A 17 25.756 3.760 27.793 1.00 0.00 C ATOM 222 CE LYS A 17 25.298 3.228 29.142 1.00 0.00 C ATOM 223 NZ LYS A 17 26.095 3.799 30.263 1.00 0.00 N ATOM 0 H LYS A 17 24.456 6.766 24.527 1.00 0.00 H new ATOM 0 HA LYS A 17 25.439 7.856 27.099 1.00 0.00 H new ATOM 0 HB2 LYS A 17 26.185 5.300 25.630 1.00 0.00 H new ATOM 0 HB3 LYS A 17 27.156 5.982 26.919 1.00 0.00 H new ATOM 0 HG2 LYS A 17 25.302 5.732 28.506 1.00 0.00 H new ATOM 0 HG3 LYS A 17 24.242 5.172 27.228 1.00 0.00 H new ATOM 0 HD2 LYS A 17 25.377 3.116 26.999 1.00 0.00 H new ATOM 0 HD3 LYS A 17 26.844 3.727 27.738 1.00 0.00 H new ATOM 0 HE2 LYS A 17 24.244 3.466 29.287 1.00 0.00 H new ATOM 0 HE3 LYS A 17 25.384 2.141 29.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 25.884 3.280 31.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 27.109 3.714 30.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 25.850 4.802 30.387 1.00 0.00 H new ATOM 237 N ASP A 18 26.793 7.704 24.093 1.00 0.00 N ATOM 238 CA ASP A 18 27.761 8.344 23.211 1.00 0.00 C ATOM 239 C ASP A 18 27.126 9.512 22.463 1.00 0.00 C ATOM 240 O ASP A 18 25.915 9.718 22.530 1.00 0.00 O ATOM 241 CB ASP A 18 28.324 7.329 22.214 1.00 0.00 C ATOM 242 CG ASP A 18 28.598 5.982 22.852 1.00 0.00 C ATOM 243 OD1 ASP A 18 29.712 5.792 23.382 1.00 0.00 O ATOM 244 OD2 ASP A 18 27.698 5.116 22.821 1.00 0.00 O ATOM 0 H ASP A 18 26.224 6.986 23.644 1.00 0.00 H new ATOM 0 HA ASP A 18 28.575 8.729 23.825 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.619 7.202 21.392 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.247 7.719 21.785 1.00 0.00 H new ATOM 249 N GLN A 19 27.953 10.273 21.752 1.00 0.00 N ATOM 250 CA GLN A 19 27.471 11.421 20.993 1.00 0.00 C ATOM 251 C GLN A 19 26.312 11.025 20.084 1.00 0.00 C ATOM 252 O GLN A 19 25.432 11.836 19.795 1.00 0.00 O ATOM 253 CB GLN A 19 28.605 12.021 20.161 1.00 0.00 C ATOM 254 CG GLN A 19 29.729 12.609 20.999 1.00 0.00 C ATOM 255 CD GLN A 19 29.412 14.002 21.507 1.00 0.00 C ATOM 256 OE1 GLN A 19 28.814 14.166 22.571 1.00 0.00 O ATOM 257 NE2 GLN A 19 29.811 15.015 20.747 1.00 0.00 N ATOM 0 H GLN A 19 28.959 10.115 21.686 1.00 0.00 H new ATOM 0 HA GLN A 19 27.114 12.169 21.701 1.00 0.00 H new ATOM 0 HB2 GLN A 19 29.014 11.249 19.510 1.00 0.00 H new ATOM 0 HB3 GLN A 19 28.198 12.800 19.516 1.00 0.00 H new ATOM 0 HG2 GLN A 19 29.926 11.953 21.847 1.00 0.00 H new ATOM 0 HG3 GLN A 19 30.641 12.643 20.404 1.00 0.00 H new ATOM 0 HE21 GLN A 19 30.304 14.833 19.873 1.00 0.00 H new ATOM 0 HE22 GLN A 19 29.625 15.975 21.038 1.00 0.00 H new ATOM 266 N PHE A 20 26.318 9.774 19.636 1.00 0.00 N ATOM 267 CA PHE A 20 25.268 9.271 18.758 1.00 0.00 C ATOM 268 C PHE A 20 24.399 8.247 19.482 1.00 0.00 C ATOM 269 O PHE A 20 24.904 7.382 20.196 1.00 0.00 O ATOM 270 CB PHE A 20 25.880 8.643 17.504 1.00 0.00 C ATOM 271 CG PHE A 20 26.877 7.561 17.802 1.00 0.00 C ATOM 272 CD1 PHE A 20 26.466 6.247 17.965 1.00 0.00 C ATOM 273 CD2 PHE A 20 28.226 7.856 17.920 1.00 0.00 C ATOM 274 CE1 PHE A 20 27.382 5.248 18.238 1.00 0.00 C ATOM 275 CE2 PHE A 20 29.146 6.862 18.192 1.00 0.00 C ATOM 276 CZ PHE A 20 28.723 5.556 18.353 1.00 0.00 C ATOM 0 H PHE A 20 27.038 9.090 19.867 1.00 0.00 H new ATOM 0 HA PHE A 20 24.640 10.112 18.464 1.00 0.00 H new ATOM 0 HB2 PHE A 20 25.082 8.231 16.887 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.366 9.422 16.917 1.00 0.00 H new ATOM 0 HD1 PHE A 20 25.418 6.001 17.878 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.562 8.875 17.798 1.00 0.00 H new ATOM 0 HE1 PHE A 20 27.049 4.228 18.361 1.00 0.00 H new ATOM 0 HE2 PHE A 20 30.195 7.105 18.279 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.440 4.778 18.568 1.00 0.00 H new ATOM 286 N GLY A 21 23.087 8.354 19.292 1.00 0.00 N ATOM 287 CA GLY A 21 22.168 7.432 19.933 1.00 0.00 C ATOM 288 C GLY A 21 21.188 6.815 18.954 1.00 0.00 C ATOM 289 O GLY A 21 21.122 7.219 17.793 1.00 0.00 O ATOM 0 H GLY A 21 22.645 9.062 18.706 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.735 6.640 20.422 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.616 7.957 20.712 1.00 0.00 H new ATOM 293 N PHE A 22 20.427 5.831 19.422 1.00 0.00 N ATOM 294 CA PHE A 22 19.448 5.155 18.578 1.00 0.00 C ATOM 295 C PHE A 22 18.042 5.302 19.152 1.00 0.00 C ATOM 296 O PHE A 22 17.830 5.133 20.354 1.00 0.00 O ATOM 297 CB PHE A 22 19.802 3.673 18.438 1.00 0.00 C ATOM 298 CG PHE A 22 21.021 3.425 17.596 1.00 0.00 C ATOM 299 CD1 PHE A 22 22.287 3.687 18.094 1.00 0.00 C ATOM 300 CD2 PHE A 22 20.901 2.931 16.308 1.00 0.00 C ATOM 301 CE1 PHE A 22 23.412 3.460 17.323 1.00 0.00 C ATOM 302 CE2 PHE A 22 22.021 2.701 15.532 1.00 0.00 C ATOM 303 CZ PHE A 22 23.278 2.967 16.039 1.00 0.00 C ATOM 0 H PHE A 22 20.469 5.484 20.380 1.00 0.00 H new ATOM 0 HA PHE A 22 19.470 5.621 17.593 1.00 0.00 H new ATOM 0 HB2 PHE A 22 19.963 3.251 19.430 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.955 3.145 18.001 1.00 0.00 H new ATOM 0 HD1 PHE A 22 22.396 4.073 19.097 1.00 0.00 H new ATOM 0 HD2 PHE A 22 19.921 2.723 15.905 1.00 0.00 H new ATOM 0 HE1 PHE A 22 24.393 3.668 17.723 1.00 0.00 H new ATOM 0 HE2 PHE A 22 21.914 2.313 14.530 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.154 2.790 15.433 1.00 0.00 H new ATOM 313 N ILE A 23 17.085 5.617 18.285 1.00 0.00 N ATOM 314 CA ILE A 23 15.700 5.785 18.705 1.00 0.00 C ATOM 315 C ILE A 23 14.866 4.557 18.357 1.00 0.00 C ATOM 316 O ILE A 23 15.079 3.923 17.324 1.00 0.00 O ATOM 317 CB ILE A 23 15.062 7.027 18.055 1.00 0.00 C ATOM 318 CG1 ILE A 23 15.928 8.263 18.304 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.655 7.242 18.592 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.467 9.487 17.545 1.00 0.00 C ATOM 0 H ILE A 23 17.244 5.761 17.288 1.00 0.00 H new ATOM 0 HA ILE A 23 15.712 5.917 19.787 1.00 0.00 H new ATOM 0 HB ILE A 23 14.998 6.863 16.979 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.930 8.486 19.371 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.957 8.038 18.024 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.217 8.123 18.123 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.042 6.369 18.367 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.696 7.388 19.671 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.127 10.325 17.770 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.492 9.282 16.475 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.449 9.738 17.843 1.00 0.00 H new ATOM 332 N ASN A 24 13.915 4.228 19.225 1.00 0.00 N ATOM 333 CA ASN A 24 13.048 3.076 19.009 1.00 0.00 C ATOM 334 C ASN A 24 11.974 3.391 17.971 1.00 0.00 C ATOM 335 O ASN A 24 10.786 3.448 18.290 1.00 0.00 O ATOM 336 CB ASN A 24 12.393 2.650 20.324 1.00 0.00 C ATOM 337 CG ASN A 24 13.381 2.015 21.283 1.00 0.00 C ATOM 338 OD1 ASN A 24 14.271 1.270 20.871 1.00 0.00 O ATOM 339 ND2 ASN A 24 13.229 2.307 22.569 1.00 0.00 N ATOM 0 H ASN A 24 13.725 4.743 20.085 1.00 0.00 H new ATOM 0 HA ASN A 24 13.661 2.256 18.635 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.938 3.519 20.798 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.589 1.944 20.114 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.864 1.909 23.261 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.477 2.929 22.865 1.00 0.00 H new ATOM 346 N TYR A 25 12.400 3.594 16.730 1.00 0.00 N ATOM 347 CA TYR A 25 11.476 3.905 15.646 1.00 0.00 C ATOM 348 C TYR A 25 11.940 3.274 14.336 1.00 0.00 C ATOM 349 O TYR A 25 13.051 3.528 13.873 1.00 0.00 O ATOM 350 CB TYR A 25 11.345 5.419 15.477 1.00 0.00 C ATOM 351 CG TYR A 25 10.222 5.831 14.552 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.894 5.677 14.928 1.00 0.00 C ATOM 353 CD2 TYR A 25 10.491 6.375 13.302 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.865 6.051 14.085 1.00 0.00 C ATOM 355 CE2 TYR A 25 9.468 6.754 12.454 1.00 0.00 C ATOM 356 CZ TYR A 25 8.157 6.589 12.850 1.00 0.00 C ATOM 357 OH TYR A 25 7.135 6.964 12.008 1.00 0.00 O ATOM 0 H TYR A 25 13.380 3.549 16.449 1.00 0.00 H new ATOM 0 HA TYR A 25 10.502 3.489 15.904 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.184 5.873 16.455 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.285 5.816 15.093 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.662 5.258 15.896 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.516 6.504 12.988 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.838 5.922 14.392 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.694 7.177 11.486 1.00 0.00 H new ATOM 0 HH TYR A 25 7.508 7.412 11.220 1.00 0.00 H new ATOM 367 N GLU A 26 11.079 2.452 13.745 1.00 0.00 N ATOM 368 CA GLU A 26 11.400 1.785 12.489 1.00 0.00 C ATOM 369 C GLU A 26 10.857 2.572 11.300 1.00 0.00 C ATOM 370 O GLU A 26 9.662 2.860 11.225 1.00 0.00 O ATOM 371 CB GLU A 26 10.829 0.365 12.479 1.00 0.00 C ATOM 372 CG GLU A 26 11.077 -0.381 11.179 1.00 0.00 C ATOM 373 CD GLU A 26 10.939 -1.883 11.334 1.00 0.00 C ATOM 374 OE1 GLU A 26 9.937 -2.329 11.931 1.00 0.00 O ATOM 375 OE2 GLU A 26 11.833 -2.614 10.857 1.00 0.00 O ATOM 0 H GLU A 26 10.154 2.232 14.115 1.00 0.00 H new ATOM 0 HA GLU A 26 12.485 1.733 12.402 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.268 -0.200 13.302 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.755 0.413 12.662 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.373 -0.031 10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.078 -0.147 10.815 1.00 0.00 H new ATOM 382 N VAL A 27 11.743 2.918 10.372 1.00 0.00 N ATOM 383 CA VAL A 27 11.354 3.672 9.186 1.00 0.00 C ATOM 384 C VAL A 27 11.606 2.867 7.916 1.00 0.00 C ATOM 385 O VAL A 27 10.928 3.053 6.906 1.00 0.00 O ATOM 386 CB VAL A 27 12.117 5.007 9.094 1.00 0.00 C ATOM 387 CG1 VAL A 27 11.634 5.973 10.165 1.00 0.00 C ATOM 388 CG2 VAL A 27 13.615 4.773 9.211 1.00 0.00 C ATOM 0 H VAL A 27 12.736 2.688 10.418 1.00 0.00 H new ATOM 0 HA VAL A 27 10.287 3.877 9.277 1.00 0.00 H new ATOM 0 HB VAL A 27 11.917 5.454 8.120 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.184 6.910 10.084 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.570 6.164 10.029 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.802 5.537 11.150 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.139 5.727 9.144 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.836 4.304 10.170 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.945 4.120 8.403 1.00 0.00 H new ATOM 398 N GLY A 28 12.585 1.970 7.975 1.00 0.00 N ATOM 399 CA GLY A 28 12.909 1.148 6.823 1.00 0.00 C ATOM 400 C GLY A 28 13.557 -0.166 7.212 1.00 0.00 C ATOM 401 O GLY A 28 13.061 -0.875 8.088 1.00 0.00 O ATOM 0 H GLY A 28 13.160 1.797 8.800 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.000 0.947 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.580 1.699 6.164 1.00 0.00 H new ATOM 405 N ASP A 29 14.666 -0.493 6.559 1.00 0.00 N ATOM 406 CA ASP A 29 15.383 -1.731 6.840 1.00 0.00 C ATOM 407 C ASP A 29 15.823 -1.785 8.300 1.00 0.00 C ATOM 408 O ASP A 29 15.882 -2.857 8.902 1.00 0.00 O ATOM 409 CB ASP A 29 16.599 -1.862 5.922 1.00 0.00 C ATOM 410 CG ASP A 29 16.257 -2.510 4.596 1.00 0.00 C ATOM 411 OD1 ASP A 29 15.199 -2.171 4.025 1.00 0.00 O ATOM 412 OD2 ASP A 29 17.046 -3.358 4.128 1.00 0.00 O ATOM 0 H ASP A 29 15.089 0.083 5.831 1.00 0.00 H new ATOM 0 HA ASP A 29 14.706 -2.564 6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 29 17.022 -0.874 5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.367 -2.451 6.423 1.00 0.00 H new ATOM 417 N SER A 30 16.132 -0.621 8.862 1.00 0.00 N ATOM 418 CA SER A 30 16.572 -0.535 10.250 1.00 0.00 C ATOM 419 C SER A 30 15.377 -0.415 11.192 1.00 0.00 C ATOM 420 O SER A 30 14.355 0.176 10.845 1.00 0.00 O ATOM 421 CB SER A 30 17.506 0.661 10.438 1.00 0.00 C ATOM 422 OG SER A 30 18.481 0.713 9.411 1.00 0.00 O ATOM 0 H SER A 30 16.086 0.276 8.378 1.00 0.00 H new ATOM 0 HA SER A 30 17.113 -1.450 10.491 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.925 1.583 10.439 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.998 0.593 11.408 1.00 0.00 H new ATOM 0 HG SER A 30 19.065 1.487 9.553 1.00 0.00 H new ATOM 428 N LYS A 31 15.515 -0.981 12.386 1.00 0.00 N ATOM 429 CA LYS A 31 14.450 -0.937 13.381 1.00 0.00 C ATOM 430 C LYS A 31 14.500 0.364 14.176 1.00 0.00 C ATOM 431 O LYS A 31 13.465 0.910 14.558 1.00 0.00 O ATOM 432 CB LYS A 31 14.562 -2.132 14.331 1.00 0.00 C ATOM 433 CG LYS A 31 13.977 -3.415 13.766 1.00 0.00 C ATOM 434 CD LYS A 31 13.888 -4.501 14.825 1.00 0.00 C ATOM 435 CE LYS A 31 15.265 -5.021 15.208 1.00 0.00 C ATOM 436 NZ LYS A 31 15.181 -6.244 16.052 1.00 0.00 N ATOM 0 H LYS A 31 16.354 -1.476 12.688 1.00 0.00 H new ATOM 0 HA LYS A 31 13.496 -0.985 12.857 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.612 -2.297 14.572 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.054 -1.892 15.265 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.984 -3.216 13.363 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.594 -3.763 12.937 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.388 -4.108 15.710 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.278 -5.324 14.453 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.834 -5.242 14.305 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.809 -4.245 15.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.140 -6.567 16.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.660 -6.028 16.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.684 -6.993 15.529 1.00 0.00 H new ATOM 450 N LYS A 32 15.710 0.856 14.420 1.00 0.00 N ATOM 451 CA LYS A 32 15.896 2.095 15.167 1.00 0.00 C ATOM 452 C LYS A 32 16.366 3.218 14.249 1.00 0.00 C ATOM 453 O LYS A 32 16.734 2.980 13.097 1.00 0.00 O ATOM 454 CB LYS A 32 16.907 1.887 16.296 1.00 0.00 C ATOM 455 CG LYS A 32 16.491 0.823 17.297 1.00 0.00 C ATOM 456 CD LYS A 32 16.991 -0.553 16.890 1.00 0.00 C ATOM 457 CE LYS A 32 17.248 -1.433 18.103 1.00 0.00 C ATOM 458 NZ LYS A 32 17.085 -2.879 17.784 1.00 0.00 N ATOM 0 H LYS A 32 16.577 0.416 14.111 1.00 0.00 H new ATOM 0 HA LYS A 32 14.935 2.379 15.596 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.869 1.611 15.864 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.052 2.831 16.821 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.883 1.076 18.282 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.404 0.806 17.381 1.00 0.00 H new ATOM 0 HD2 LYS A 32 16.257 -1.031 16.241 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.909 -0.451 16.312 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.257 -1.254 18.474 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.561 -1.158 18.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.350 -3.449 18.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.093 -3.070 17.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 17.697 -3.129 16.981 1.00 0.00 H new ATOM 472 N LEU A 33 16.354 4.442 14.765 1.00 0.00 N ATOM 473 CA LEU A 33 16.781 5.603 13.991 1.00 0.00 C ATOM 474 C LEU A 33 18.184 6.042 14.399 1.00 0.00 C ATOM 475 O LEU A 33 18.699 5.626 15.437 1.00 0.00 O ATOM 476 CB LEU A 33 15.797 6.758 14.182 1.00 0.00 C ATOM 477 CG LEU A 33 15.684 7.742 13.018 1.00 0.00 C ATOM 478 CD1 LEU A 33 15.235 7.025 11.754 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.721 8.869 13.364 1.00 0.00 C ATOM 0 H LEU A 33 16.053 4.657 15.716 1.00 0.00 H new ATOM 0 HA LEU A 33 16.800 5.321 12.938 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.809 6.339 14.375 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.088 7.313 15.074 1.00 0.00 H new ATOM 0 HG LEU A 33 16.668 8.174 12.836 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.160 7.742 10.936 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.961 6.254 11.496 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.262 6.565 11.923 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.653 9.560 12.524 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.735 8.454 13.573 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.085 9.401 14.243 1.00 0.00 H new ATOM 491 N PHE A 34 18.797 6.886 13.575 1.00 0.00 N ATOM 492 CA PHE A 34 20.140 7.383 13.850 1.00 0.00 C ATOM 493 C PHE A 34 20.160 8.909 13.878 1.00 0.00 C ATOM 494 O PHE A 34 19.774 9.564 12.909 1.00 0.00 O ATOM 495 CB PHE A 34 21.123 6.868 12.797 1.00 0.00 C ATOM 496 CG PHE A 34 22.489 7.483 12.901 1.00 0.00 C ATOM 497 CD1 PHE A 34 23.282 7.260 14.015 1.00 0.00 C ATOM 498 CD2 PHE A 34 22.981 8.286 11.883 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.540 7.824 14.113 1.00 0.00 C ATOM 500 CE2 PHE A 34 24.238 8.852 11.976 1.00 0.00 C ATOM 501 CZ PHE A 34 25.018 8.622 13.092 1.00 0.00 C ATOM 0 H PHE A 34 18.385 7.240 12.712 1.00 0.00 H new ATOM 0 HA PHE A 34 20.443 7.015 14.830 1.00 0.00 H new ATOM 0 HB2 PHE A 34 21.212 5.786 12.893 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.718 7.068 11.805 1.00 0.00 H new ATOM 0 HD1 PHE A 34 22.913 6.638 14.817 1.00 0.00 H new ATOM 0 HD2 PHE A 34 22.375 8.471 11.008 1.00 0.00 H new ATOM 0 HE1 PHE A 34 25.148 7.641 14.986 1.00 0.00 H new ATOM 0 HE2 PHE A 34 24.611 9.474 11.176 1.00 0.00 H new ATOM 0 HZ PHE A 34 26.000 9.065 13.166 1.00 0.00 H new ATOM 511 N PHE A 35 20.613 9.469 14.995 1.00 0.00 N ATOM 512 CA PHE A 35 20.683 10.917 15.150 1.00 0.00 C ATOM 513 C PHE A 35 21.956 11.324 15.886 1.00 0.00 C ATOM 514 O PHE A 35 22.477 10.573 16.710 1.00 0.00 O ATOM 515 CB PHE A 35 19.456 11.430 15.908 1.00 0.00 C ATOM 516 CG PHE A 35 19.475 11.099 17.373 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.254 9.801 17.806 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.714 12.085 18.316 1.00 0.00 C ATOM 519 CE1 PHE A 35 19.270 9.495 19.154 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.732 11.784 19.665 1.00 0.00 C ATOM 521 CZ PHE A 35 19.511 10.487 20.084 1.00 0.00 C ATOM 0 H PHE A 35 20.937 8.942 15.806 1.00 0.00 H new ATOM 0 HA PHE A 35 20.700 11.364 14.156 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.391 12.512 15.789 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.558 11.005 15.459 1.00 0.00 H new ATOM 0 HD1 PHE A 35 19.067 9.021 17.083 1.00 0.00 H new ATOM 0 HD2 PHE A 35 19.888 13.101 17.994 1.00 0.00 H new ATOM 0 HE1 PHE A 35 19.094 8.480 19.480 1.00 0.00 H new ATOM 0 HE2 PHE A 35 19.919 12.562 20.390 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.527 10.249 21.137 1.00 0.00 H new ATOM 531 N HIS A 36 22.452 12.519 15.581 1.00 0.00 N ATOM 532 CA HIS A 36 23.664 13.028 16.213 1.00 0.00 C ATOM 533 C HIS A 36 23.342 14.185 17.153 1.00 0.00 C ATOM 534 O HIS A 36 22.292 14.818 17.040 1.00 0.00 O ATOM 535 CB HIS A 36 24.666 13.482 15.151 1.00 0.00 C ATOM 536 CG HIS A 36 26.063 13.631 15.671 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.717 14.843 15.734 1.00 0.00 N ATOM 538 CD2 HIS A 36 26.931 12.711 16.154 1.00 0.00 C ATOM 539 CE1 HIS A 36 27.927 14.662 16.233 1.00 0.00 C ATOM 540 NE2 HIS A 36 28.082 13.377 16.496 1.00 0.00 N ATOM 0 H HIS A 36 22.033 13.153 14.900 1.00 0.00 H new ATOM 0 HA HIS A 36 24.106 12.221 16.797 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.667 12.762 14.332 1.00 0.00 H new ATOM 0 HB3 HIS A 36 24.337 14.435 14.737 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.751 11.651 16.252 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.664 15.434 16.398 1.00 0.00 H new ATOM 0 HE2 HIS A 36 28.920 12.949 16.889 1.00 0.00 H new ATOM 548 N VAL A 37 24.253 14.457 18.083 1.00 0.00 N ATOM 549 CA VAL A 37 24.066 15.539 19.043 1.00 0.00 C ATOM 550 C VAL A 37 23.809 16.864 18.335 1.00 0.00 C ATOM 551 O VAL A 37 23.179 17.765 18.888 1.00 0.00 O ATOM 552 CB VAL A 37 25.292 15.690 19.963 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.339 14.560 20.981 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.572 15.733 19.142 1.00 0.00 C ATOM 0 H VAL A 37 25.127 13.943 18.192 1.00 0.00 H new ATOM 0 HA VAL A 37 23.197 15.280 19.647 1.00 0.00 H new ATOM 0 HB VAL A 37 25.204 16.631 20.505 1.00 0.00 H new ATOM 0 HG11 VAL A 37 26.212 14.684 21.622 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.435 14.581 21.590 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.403 13.604 20.461 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.428 15.840 19.808 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.669 14.809 18.571 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.537 16.580 18.457 1.00 0.00 H new ATOM 564 N LYS A 38 24.301 16.977 17.106 1.00 0.00 N ATOM 565 CA LYS A 38 24.124 18.191 16.318 1.00 0.00 C ATOM 566 C LYS A 38 22.649 18.430 16.010 1.00 0.00 C ATOM 567 O LYS A 38 22.213 19.571 15.868 1.00 0.00 O ATOM 568 CB LYS A 38 24.920 18.099 15.015 1.00 0.00 C ATOM 569 CG LYS A 38 24.306 17.158 13.992 1.00 0.00 C ATOM 570 CD LYS A 38 25.364 16.554 13.085 1.00 0.00 C ATOM 571 CE LYS A 38 25.615 17.426 11.864 1.00 0.00 C ATOM 572 NZ LYS A 38 26.521 16.763 10.885 1.00 0.00 N ATOM 0 H LYS A 38 24.826 16.241 16.633 1.00 0.00 H new ATOM 0 HA LYS A 38 24.495 19.032 16.904 1.00 0.00 H new ATOM 0 HB2 LYS A 38 25.002 19.094 14.578 1.00 0.00 H new ATOM 0 HB3 LYS A 38 25.933 17.766 15.241 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.768 16.361 14.506 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.576 17.699 13.391 1.00 0.00 H new ATOM 0 HD2 LYS A 38 26.293 16.429 13.641 1.00 0.00 H new ATOM 0 HD3 LYS A 38 25.047 15.561 12.766 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.665 17.657 11.381 1.00 0.00 H new ATOM 0 HE3 LYS A 38 26.051 18.374 12.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 26.667 17.389 10.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 27.436 16.565 11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 26.093 15.871 10.565 1.00 0.00 H new ATOM 586 N GLU A 39 21.887 17.345 15.910 1.00 0.00 N ATOM 587 CA GLU A 39 20.461 17.438 15.620 1.00 0.00 C ATOM 588 C GLU A 39 19.733 18.215 16.713 1.00 0.00 C ATOM 589 O GLU A 39 19.215 19.306 16.474 1.00 0.00 O ATOM 590 CB GLU A 39 19.854 16.041 15.481 1.00 0.00 C ATOM 591 CG GLU A 39 20.356 15.277 14.267 1.00 0.00 C ATOM 592 CD GLU A 39 19.440 14.132 13.878 1.00 0.00 C ATOM 593 OE1 GLU A 39 18.301 14.085 14.389 1.00 0.00 O ATOM 594 OE2 GLU A 39 19.861 13.284 13.064 1.00 0.00 O ATOM 0 H GLU A 39 22.233 16.392 16.025 1.00 0.00 H new ATOM 0 HA GLU A 39 20.342 17.973 14.678 1.00 0.00 H new ATOM 0 HB2 GLU A 39 20.078 15.466 16.380 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.769 16.130 15.421 1.00 0.00 H new ATOM 0 HG2 GLU A 39 20.452 15.963 13.425 1.00 0.00 H new ATOM 0 HG3 GLU A 39 21.352 14.886 14.475 1.00 0.00 H new ATOM 601 N VAL A 40 19.697 17.644 17.913 1.00 0.00 N ATOM 602 CA VAL A 40 19.034 18.282 19.043 1.00 0.00 C ATOM 603 C VAL A 40 19.522 19.714 19.231 1.00 0.00 C ATOM 604 O VAL A 40 20.710 19.998 19.086 1.00 0.00 O ATOM 605 CB VAL A 40 19.267 17.497 20.347 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.756 17.327 20.609 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.589 18.193 21.517 1.00 0.00 C ATOM 0 H VAL A 40 20.119 16.741 18.127 1.00 0.00 H new ATOM 0 HA VAL A 40 17.967 18.292 18.819 1.00 0.00 H new ATOM 0 HB VAL A 40 18.825 16.507 20.237 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.901 16.770 21.535 1.00 0.00 H new ATOM 0 HG12 VAL A 40 21.211 16.782 19.782 1.00 0.00 H new ATOM 0 HG13 VAL A 40 21.224 18.307 20.698 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.764 17.624 22.430 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.999 19.197 21.630 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.517 18.258 21.330 1.00 0.00 H new ATOM 617 N GLN A 41 18.596 20.611 19.553 1.00 0.00 N ATOM 618 CA GLN A 41 18.933 22.015 19.760 1.00 0.00 C ATOM 619 C GLN A 41 18.267 22.554 21.022 1.00 0.00 C ATOM 620 O GLN A 41 17.625 21.810 21.764 1.00 0.00 O ATOM 621 CB GLN A 41 18.507 22.848 18.550 1.00 0.00 C ATOM 622 CG GLN A 41 18.950 22.259 17.220 1.00 0.00 C ATOM 623 CD GLN A 41 18.982 23.288 16.108 1.00 0.00 C ATOM 624 OE1 GLN A 41 19.514 24.385 16.276 1.00 0.00 O ATOM 625 NE2 GLN A 41 18.410 22.939 14.961 1.00 0.00 N ATOM 0 H GLN A 41 17.608 20.391 19.676 1.00 0.00 H new ATOM 0 HA GLN A 41 20.014 22.089 19.881 1.00 0.00 H new ATOM 0 HB2 GLN A 41 17.421 22.946 18.551 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.918 23.853 18.648 1.00 0.00 H new ATOM 0 HG2 GLN A 41 19.942 21.821 17.333 1.00 0.00 H new ATOM 0 HG3 GLN A 41 18.274 21.450 16.942 1.00 0.00 H new ATOM 0 HE21 GLN A 41 17.980 22.019 14.865 1.00 0.00 H new ATOM 0 HE22 GLN A 41 18.401 23.591 14.177 1.00 0.00 H new ATOM 634 N ASP A 42 18.425 23.851 21.260 1.00 0.00 N ATOM 635 CA ASP A 42 17.839 24.491 22.433 1.00 0.00 C ATOM 636 C ASP A 42 18.429 23.915 23.717 1.00 0.00 C ATOM 637 O ASP A 42 17.788 23.930 24.767 1.00 0.00 O ATOM 638 CB ASP A 42 16.320 24.314 22.430 1.00 0.00 C ATOM 639 CG ASP A 42 15.711 24.558 21.064 1.00 0.00 C ATOM 640 OD1 ASP A 42 15.401 25.727 20.753 1.00 0.00 O ATOM 641 OD2 ASP A 42 15.543 23.579 20.306 1.00 0.00 O ATOM 0 H ASP A 42 18.954 24.481 20.656 1.00 0.00 H new ATOM 0 HA ASP A 42 18.073 25.555 22.392 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.074 23.304 22.759 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.876 25.001 23.150 1.00 0.00 H new ATOM 646 N GLY A 43 19.654 23.407 23.624 1.00 0.00 N ATOM 647 CA GLY A 43 20.309 22.833 24.785 1.00 0.00 C ATOM 648 C GLY A 43 19.452 21.793 25.478 1.00 0.00 C ATOM 649 O GLY A 43 18.988 22.007 26.599 1.00 0.00 O ATOM 0 H GLY A 43 20.204 23.383 22.766 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.251 22.378 24.479 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.553 23.627 25.491 1.00 0.00 H new ATOM 653 N ILE A 44 19.240 20.663 24.811 1.00 0.00 N ATOM 654 CA ILE A 44 18.433 19.586 25.370 1.00 0.00 C ATOM 655 C ILE A 44 19.183 18.259 25.330 1.00 0.00 C ATOM 656 O ILE A 44 19.953 17.998 24.407 1.00 0.00 O ATOM 657 CB ILE A 44 17.099 19.432 24.616 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.410 20.790 24.473 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.194 18.445 25.337 1.00 0.00 C ATOM 660 CD1 ILE A 44 16.007 21.406 25.794 1.00 0.00 C ATOM 0 H ILE A 44 19.616 20.470 23.883 1.00 0.00 H new ATOM 0 HA ILE A 44 18.226 19.852 26.407 1.00 0.00 H new ATOM 0 HB ILE A 44 17.305 19.044 23.619 1.00 0.00 H new ATOM 0 HG12 ILE A 44 17.079 21.474 23.951 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.523 20.674 23.850 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.255 18.347 24.792 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.685 17.473 25.391 1.00 0.00 H new ATOM 0 HG23 ILE A 44 15.992 18.806 26.345 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.525 22.367 25.615 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.313 20.742 26.309 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.893 21.554 26.412 1.00 0.00 H new ATOM 672 N GLU A 45 18.951 17.423 26.337 1.00 0.00 N ATOM 673 CA GLU A 45 19.604 16.122 26.416 1.00 0.00 C ATOM 674 C GLU A 45 18.579 14.993 26.350 1.00 0.00 C ATOM 675 O GLU A 45 17.603 14.982 27.101 1.00 0.00 O ATOM 676 CB GLU A 45 20.418 16.012 27.707 1.00 0.00 C ATOM 677 CG GLU A 45 21.629 15.103 27.588 1.00 0.00 C ATOM 678 CD GLU A 45 22.133 14.622 28.935 1.00 0.00 C ATOM 679 OE1 GLU A 45 21.298 14.201 29.763 1.00 0.00 O ATOM 680 OE2 GLU A 45 23.360 14.666 29.161 1.00 0.00 O ATOM 0 H GLU A 45 18.316 17.624 27.109 1.00 0.00 H new ATOM 0 HA GLU A 45 20.276 16.030 25.563 1.00 0.00 H new ATOM 0 HB2 GLU A 45 20.749 17.007 28.003 1.00 0.00 H new ATOM 0 HB3 GLU A 45 19.772 15.641 28.503 1.00 0.00 H new ATOM 0 HG2 GLU A 45 21.373 14.241 26.972 1.00 0.00 H new ATOM 0 HG3 GLU A 45 22.429 15.636 27.074 1.00 0.00 H new ATOM 687 N LEU A 46 18.808 14.046 25.447 1.00 0.00 N ATOM 688 CA LEU A 46 17.905 12.913 25.282 1.00 0.00 C ATOM 689 C LEU A 46 18.460 11.669 25.970 1.00 0.00 C ATOM 690 O LEU A 46 19.561 11.217 25.659 1.00 0.00 O ATOM 691 CB LEU A 46 17.677 12.629 23.796 1.00 0.00 C ATOM 692 CG LEU A 46 17.566 13.854 22.888 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.449 13.431 21.432 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.377 14.712 23.294 1.00 0.00 C ATOM 0 H LEU A 46 19.611 14.040 24.818 1.00 0.00 H new ATOM 0 HA LEU A 46 16.953 13.169 25.747 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.497 12.007 23.435 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.764 12.043 23.695 1.00 0.00 H new ATOM 0 HG LEU A 46 18.473 14.449 23.000 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.371 14.316 20.801 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.332 12.859 21.147 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.560 12.814 21.303 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.313 15.580 22.637 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.461 14.127 23.212 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.504 15.045 24.324 1.00 0.00 H new ATOM 706 N GLN A 47 17.689 11.122 26.904 1.00 0.00 N ATOM 707 CA GLN A 47 18.104 9.930 27.634 1.00 0.00 C ATOM 708 C GLN A 47 17.189 8.752 27.316 1.00 0.00 C ATOM 709 O GLN A 47 16.270 8.867 26.507 1.00 0.00 O ATOM 710 CB GLN A 47 18.101 10.202 29.139 1.00 0.00 C ATOM 711 CG GLN A 47 19.056 11.307 29.560 1.00 0.00 C ATOM 712 CD GLN A 47 18.717 11.886 30.919 1.00 0.00 C ATOM 713 OE1 GLN A 47 19.167 11.384 31.950 1.00 0.00 O ATOM 714 NE2 GLN A 47 17.919 12.947 30.929 1.00 0.00 N ATOM 0 H GLN A 47 16.774 11.485 27.173 1.00 0.00 H new ATOM 0 HA GLN A 47 19.116 9.675 27.320 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.091 10.469 29.449 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.365 9.285 29.666 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.073 10.915 29.580 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.036 12.103 28.815 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.569 13.330 30.051 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.656 13.379 31.815 1.00 0.00 H new ATOM 723 N ALA A 48 17.449 7.618 27.959 1.00 0.00 N ATOM 724 CA ALA A 48 16.649 6.418 27.746 1.00 0.00 C ATOM 725 C ALA A 48 15.222 6.614 28.247 1.00 0.00 C ATOM 726 O ALA A 48 15.001 6.902 29.423 1.00 0.00 O ATOM 727 CB ALA A 48 17.293 5.224 28.435 1.00 0.00 C ATOM 0 H ALA A 48 18.207 7.505 28.632 1.00 0.00 H new ATOM 0 HA ALA A 48 16.607 6.225 26.674 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.685 4.335 28.267 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.291 5.063 28.027 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.366 5.417 29.505 1.00 0.00 H new ATOM 733 N GLY A 49 14.256 6.457 27.347 1.00 0.00 N ATOM 734 CA GLY A 49 12.863 6.622 27.717 1.00 0.00 C ATOM 735 C GLY A 49 12.372 8.041 27.511 1.00 0.00 C ATOM 736 O GLY A 49 11.325 8.425 28.033 1.00 0.00 O ATOM 0 H GLY A 49 14.414 6.218 26.368 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.251 5.940 27.127 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.733 6.344 28.763 1.00 0.00 H new ATOM 740 N ASP A 50 13.130 8.823 26.750 1.00 0.00 N ATOM 741 CA ASP A 50 12.767 10.208 26.477 1.00 0.00 C ATOM 742 C ASP A 50 12.074 10.332 25.123 1.00 0.00 C ATOM 743 O ASP A 50 12.692 10.127 24.079 1.00 0.00 O ATOM 744 CB ASP A 50 14.009 11.100 26.512 1.00 0.00 C ATOM 745 CG ASP A 50 14.464 11.403 27.925 1.00 0.00 C ATOM 746 OD1 ASP A 50 14.091 10.645 28.844 1.00 0.00 O ATOM 747 OD2 ASP A 50 15.194 12.399 28.113 1.00 0.00 O ATOM 0 H ASP A 50 14.000 8.521 26.311 1.00 0.00 H new ATOM 0 HA ASP A 50 12.073 10.535 27.251 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.819 10.612 25.969 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.796 12.035 25.994 1.00 0.00 H new ATOM 752 N GLU A 51 10.788 10.667 25.150 1.00 0.00 N ATOM 753 CA GLU A 51 10.012 10.815 23.924 1.00 0.00 C ATOM 754 C GLU A 51 10.280 12.168 23.271 1.00 0.00 C ATOM 755 O GLU A 51 9.999 13.216 23.851 1.00 0.00 O ATOM 756 CB GLU A 51 8.518 10.666 24.219 1.00 0.00 C ATOM 757 CG GLU A 51 7.723 10.096 23.056 1.00 0.00 C ATOM 758 CD GLU A 51 6.332 9.649 23.465 1.00 0.00 C ATOM 759 OE1 GLU A 51 5.493 10.524 23.766 1.00 0.00 O ATOM 760 OE2 GLU A 51 6.083 8.426 23.483 1.00 0.00 O ATOM 0 H GLU A 51 10.262 10.841 26.006 1.00 0.00 H new ATOM 0 HA GLU A 51 10.319 10.030 23.233 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.390 10.020 25.087 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.109 11.641 24.485 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.643 10.849 22.272 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.263 9.249 22.632 1.00 0.00 H new ATOM 767 N VAL A 52 10.827 12.135 22.060 1.00 0.00 N ATOM 768 CA VAL A 52 11.134 13.357 21.326 1.00 0.00 C ATOM 769 C VAL A 52 10.433 13.376 19.972 1.00 0.00 C ATOM 770 O VAL A 52 10.239 12.333 19.349 1.00 0.00 O ATOM 771 CB VAL A 52 12.650 13.517 21.109 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.371 13.633 22.444 1.00 0.00 C ATOM 773 CG2 VAL A 52 13.197 12.352 20.298 1.00 0.00 C ATOM 0 H VAL A 52 11.067 11.275 21.566 1.00 0.00 H new ATOM 0 HA VAL A 52 10.772 14.188 21.931 1.00 0.00 H new ATOM 0 HB VAL A 52 12.825 14.435 20.548 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.441 13.745 22.271 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.998 14.503 22.985 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.191 12.734 23.034 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.270 12.481 20.154 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.012 11.419 20.831 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.702 12.320 19.328 1.00 0.00 H new ATOM 783 N GLU A 53 10.057 14.569 19.523 1.00 0.00 N ATOM 784 CA GLU A 53 9.377 14.723 18.242 1.00 0.00 C ATOM 785 C GLU A 53 10.358 15.149 17.153 1.00 0.00 C ATOM 786 O GLU A 53 10.956 16.223 17.227 1.00 0.00 O ATOM 787 CB GLU A 53 8.249 15.750 18.358 1.00 0.00 C ATOM 788 CG GLU A 53 7.277 15.721 17.191 1.00 0.00 C ATOM 789 CD GLU A 53 6.491 17.010 17.053 1.00 0.00 C ATOM 790 OE1 GLU A 53 7.124 18.082 16.954 1.00 0.00 O ATOM 791 OE2 GLU A 53 5.244 16.948 17.046 1.00 0.00 O ATOM 0 H GLU A 53 10.211 15.442 20.027 1.00 0.00 H new ATOM 0 HA GLU A 53 8.952 13.758 17.967 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.699 15.571 19.282 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.683 16.747 18.434 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.828 15.536 16.269 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.584 14.890 17.321 1.00 0.00 H new ATOM 798 N PHE A 54 10.518 14.300 16.144 1.00 0.00 N ATOM 799 CA PHE A 54 11.427 14.587 15.040 1.00 0.00 C ATOM 800 C PHE A 54 10.711 14.460 13.699 1.00 0.00 C ATOM 801 O PHE A 54 9.647 13.848 13.606 1.00 0.00 O ATOM 802 CB PHE A 54 12.629 13.641 15.082 1.00 0.00 C ATOM 803 CG PHE A 54 12.247 12.188 15.111 1.00 0.00 C ATOM 804 CD1 PHE A 54 11.822 11.547 13.959 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.313 11.465 16.291 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.469 10.210 13.984 1.00 0.00 C ATOM 807 CE2 PHE A 54 11.962 10.128 16.322 1.00 0.00 C ATOM 808 CZ PHE A 54 11.541 9.500 15.166 1.00 0.00 C ATOM 0 H PHE A 54 10.030 13.407 16.068 1.00 0.00 H new ATOM 0 HA PHE A 54 11.778 15.613 15.148 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.258 13.826 14.211 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.230 13.868 15.963 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.766 12.097 13.031 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.642 11.951 17.197 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.137 9.722 13.080 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.017 9.576 17.248 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.269 8.455 15.187 1.00 0.00 H new ATOM 818 N SER A 55 11.303 15.043 12.661 1.00 0.00 N ATOM 819 CA SER A 55 10.721 14.999 11.325 1.00 0.00 C ATOM 820 C SER A 55 11.486 14.029 10.430 1.00 0.00 C ATOM 821 O SER A 55 12.712 14.092 10.332 1.00 0.00 O ATOM 822 CB SER A 55 10.721 16.395 10.700 1.00 0.00 C ATOM 823 OG SER A 55 12.008 16.984 10.765 1.00 0.00 O ATOM 0 H SER A 55 12.185 15.551 12.720 1.00 0.00 H new ATOM 0 HA SER A 55 9.693 14.649 11.415 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.399 16.331 9.661 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.001 17.029 11.218 1.00 0.00 H new ATOM 0 HG SER A 55 12.689 16.280 10.783 1.00 0.00 H new ATOM 829 N VAL A 56 10.754 13.131 9.779 1.00 0.00 N ATOM 830 CA VAL A 56 11.362 12.147 8.891 1.00 0.00 C ATOM 831 C VAL A 56 11.741 12.774 7.554 1.00 0.00 C ATOM 832 O VAL A 56 10.873 13.167 6.773 1.00 0.00 O ATOM 833 CB VAL A 56 10.416 10.958 8.639 1.00 0.00 C ATOM 834 CG1 VAL A 56 11.113 9.887 7.813 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.917 10.386 9.957 1.00 0.00 C ATOM 0 H VAL A 56 9.739 13.064 9.850 1.00 0.00 H new ATOM 0 HA VAL A 56 12.262 11.786 9.388 1.00 0.00 H new ATOM 0 HB VAL A 56 9.554 11.315 8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.429 9.055 7.645 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.416 10.307 6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.994 9.531 8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.250 9.547 9.760 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.765 10.044 10.550 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.378 11.157 10.507 1.00 0.00 H new ATOM 845 N ILE A 57 13.041 12.864 7.296 1.00 0.00 N ATOM 846 CA ILE A 57 13.534 13.441 6.052 1.00 0.00 C ATOM 847 C ILE A 57 14.295 12.407 5.229 1.00 0.00 C ATOM 848 O ILE A 57 15.237 11.781 5.716 1.00 0.00 O ATOM 849 CB ILE A 57 14.455 14.647 6.317 1.00 0.00 C ATOM 850 CG1 ILE A 57 13.791 15.618 7.295 1.00 0.00 C ATOM 851 CG2 ILE A 57 14.796 15.351 5.012 1.00 0.00 C ATOM 852 CD1 ILE A 57 12.472 16.168 6.799 1.00 0.00 C ATOM 0 H ILE A 57 13.772 12.545 7.932 1.00 0.00 H new ATOM 0 HA ILE A 57 12.661 13.776 5.492 1.00 0.00 H new ATOM 0 HB ILE A 57 15.381 14.286 6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.629 15.110 8.245 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.471 16.447 7.489 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.447 16.201 5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.306 14.655 4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.880 15.702 4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.059 16.849 7.543 1.00 0.00 H new ATOM 0 HD12 ILE A 57 12.630 16.705 5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 57 11.775 15.347 6.632 1.00 0.00 H new ATOM 864 N LEU A 58 13.880 12.233 3.979 1.00 0.00 N ATOM 865 CA LEU A 58 14.523 11.275 3.086 1.00 0.00 C ATOM 866 C LEU A 58 15.532 11.970 2.178 1.00 0.00 C ATOM 867 O LEU A 58 15.233 13.000 1.576 1.00 0.00 O ATOM 868 CB LEU A 58 13.473 10.551 2.241 1.00 0.00 C ATOM 869 CG LEU A 58 14.008 9.719 1.075 1.00 0.00 C ATOM 870 CD1 LEU A 58 14.855 8.564 1.587 1.00 0.00 C ATOM 871 CD2 LEU A 58 12.860 9.203 0.219 1.00 0.00 C ATOM 0 H LEU A 58 13.102 12.742 3.561 1.00 0.00 H new ATOM 0 HA LEU A 58 15.054 10.546 3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.898 9.896 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.780 11.293 1.844 1.00 0.00 H new ATOM 0 HG LEU A 58 14.639 10.358 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.227 7.983 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.697 8.955 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.249 7.924 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.258 8.613 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.204 8.580 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.294 10.046 -0.178 1.00 0.00 H new ATOM 883 N ASN A 59 16.728 11.397 2.083 1.00 0.00 N ATOM 884 CA ASN A 59 17.781 11.961 1.246 1.00 0.00 C ATOM 885 C ASN A 59 17.771 11.327 -0.142 1.00 0.00 C ATOM 886 O ASN A 59 17.803 10.104 -0.276 1.00 0.00 O ATOM 887 CB ASN A 59 19.148 11.755 1.903 1.00 0.00 C ATOM 888 CG ASN A 59 20.132 12.851 1.543 1.00 0.00 C ATOM 889 OD1 ASN A 59 20.101 13.392 0.438 1.00 0.00 O ATOM 890 ND2 ASN A 59 21.014 13.184 2.479 1.00 0.00 N ATOM 0 H ASN A 59 16.992 10.543 2.575 1.00 0.00 H new ATOM 0 HA ASN A 59 17.593 13.029 1.139 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.026 11.720 2.986 1.00 0.00 H new ATOM 0 HB3 ASN A 59 19.554 10.791 1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 59 21.702 13.915 2.295 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.004 12.709 3.382 1.00 0.00 H new ATOM 897 N GLN A 60 17.726 12.168 -1.170 1.00 0.00 N ATOM 898 CA GLN A 60 17.712 11.690 -2.547 1.00 0.00 C ATOM 899 C GLN A 60 19.131 11.467 -3.061 1.00 0.00 C ATOM 900 O GLN A 60 19.356 10.652 -3.956 1.00 0.00 O ATOM 901 CB GLN A 60 16.982 12.688 -3.448 1.00 0.00 C ATOM 902 CG GLN A 60 15.473 12.506 -3.460 1.00 0.00 C ATOM 903 CD GLN A 60 14.732 13.793 -3.768 1.00 0.00 C ATOM 904 OE1 GLN A 60 14.368 14.053 -4.915 1.00 0.00 O ATOM 905 NE2 GLN A 60 14.505 14.606 -2.744 1.00 0.00 N ATOM 0 H GLN A 60 17.699 13.183 -1.075 1.00 0.00 H new ATOM 0 HA GLN A 60 17.183 10.737 -2.569 1.00 0.00 H new ATOM 0 HB2 GLN A 60 17.215 13.700 -3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 60 17.360 12.590 -4.466 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.208 11.752 -4.201 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.149 12.128 -2.491 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.824 14.351 -1.810 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.011 15.486 -2.891 1.00 0.00 H new ATOM 914 N ARG A 61 20.083 12.196 -2.490 1.00 0.00 N ATOM 915 CA ARG A 61 21.480 12.078 -2.891 1.00 0.00 C ATOM 916 C ARG A 61 22.061 10.738 -2.451 1.00 0.00 C ATOM 917 O ARG A 61 22.665 10.019 -3.248 1.00 0.00 O ATOM 918 CB ARG A 61 22.302 13.222 -2.295 1.00 0.00 C ATOM 919 CG ARG A 61 23.744 13.251 -2.775 1.00 0.00 C ATOM 920 CD ARG A 61 24.391 14.602 -2.514 1.00 0.00 C ATOM 921 NE ARG A 61 24.925 14.701 -1.159 1.00 0.00 N ATOM 922 CZ ARG A 61 26.017 14.063 -0.750 1.00 0.00 C ATOM 923 NH1 ARG A 61 26.687 13.286 -1.589 1.00 0.00 N ATOM 924 NH2 ARG A 61 26.440 14.204 0.499 1.00 0.00 N ATOM 0 H ARG A 61 19.913 12.875 -1.748 1.00 0.00 H new ATOM 0 HA ARG A 61 21.525 12.135 -3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 61 21.825 14.170 -2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.291 13.138 -1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.313 12.470 -2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.778 13.030 -3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 61 25.194 14.764 -3.233 1.00 0.00 H new ATOM 0 HD3 ARG A 61 23.657 15.392 -2.673 1.00 0.00 H new ATOM 0 HE ARG A 61 24.433 15.292 -0.489 1.00 0.00 H new ATOM 0 HH11 ARG A 61 26.365 13.177 -2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 61 27.525 12.797 -1.273 1.00 0.00 H new ATOM 0 HH21 ARG A 61 25.927 14.802 1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 61 27.278 13.714 0.812 1.00 0.00 H new ATOM 938 N THR A 62 21.873 10.406 -1.177 1.00 0.00 N ATOM 939 CA THR A 62 22.380 9.153 -0.631 1.00 0.00 C ATOM 940 C THR A 62 21.329 8.052 -0.718 1.00 0.00 C ATOM 941 O THR A 62 21.589 6.974 -1.251 1.00 0.00 O ATOM 942 CB THR A 62 22.817 9.316 0.837 1.00 0.00 C ATOM 943 OG1 THR A 62 21.720 9.793 1.624 1.00 0.00 O ATOM 944 CG2 THR A 62 23.986 10.283 0.949 1.00 0.00 C ATOM 0 H THR A 62 21.373 10.988 -0.504 1.00 0.00 H new ATOM 0 HA THR A 62 23.246 8.873 -1.231 1.00 0.00 H new ATOM 0 HB THR A 62 23.135 8.342 1.209 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.005 9.892 2.556 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.277 10.382 1.995 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.829 9.903 0.372 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.690 11.258 0.561 1.00 0.00 H new ATOM 952 N GLY A 63 20.141 8.330 -0.189 1.00 0.00 N ATOM 953 CA GLY A 63 19.069 7.352 -0.218 1.00 0.00 C ATOM 954 C GLY A 63 18.796 6.752 1.147 1.00 0.00 C ATOM 955 O GLY A 63 18.326 5.619 1.252 1.00 0.00 O ATOM 0 H GLY A 63 19.902 9.215 0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.161 7.824 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.326 6.556 -0.917 1.00 0.00 H new ATOM 959 N LYS A 64 19.092 7.512 2.196 1.00 0.00 N ATOM 960 CA LYS A 64 18.875 7.050 3.562 1.00 0.00 C ATOM 961 C LYS A 64 17.935 7.988 4.311 1.00 0.00 C ATOM 962 O LYS A 64 17.540 9.032 3.791 1.00 0.00 O ATOM 963 CB LYS A 64 20.209 6.946 4.304 1.00 0.00 C ATOM 964 CG LYS A 64 21.251 6.119 3.571 1.00 0.00 C ATOM 965 CD LYS A 64 22.366 5.674 4.503 1.00 0.00 C ATOM 966 CE LYS A 64 23.540 5.093 3.729 1.00 0.00 C ATOM 967 NZ LYS A 64 23.254 3.717 3.238 1.00 0.00 N ATOM 0 H LYS A 64 19.483 8.451 2.126 1.00 0.00 H new ATOM 0 HA LYS A 64 18.414 6.064 3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.603 7.949 4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.035 6.508 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.776 5.244 3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 64 21.671 6.704 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.705 6.522 5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 64 21.983 4.928 5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 64 23.773 5.739 2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 64 24.423 5.074 4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 24.078 3.356 2.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 23.057 3.094 4.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 22.427 3.738 2.608 1.00 0.00 H new ATOM 981 N CYS A 65 17.583 7.611 5.535 1.00 0.00 N ATOM 982 CA CYS A 65 16.690 8.420 6.357 1.00 0.00 C ATOM 983 C CYS A 65 17.325 8.729 7.709 1.00 0.00 C ATOM 984 O CYS A 65 18.172 7.979 8.194 1.00 0.00 O ATOM 985 CB CYS A 65 15.357 7.699 6.560 1.00 0.00 C ATOM 986 SG CYS A 65 14.625 7.058 5.036 1.00 0.00 S ATOM 0 H CYS A 65 17.902 6.751 5.980 1.00 0.00 H new ATOM 0 HA CYS A 65 16.511 9.361 5.837 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.505 6.872 7.255 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.652 8.386 7.028 1.00 0.00 H new ATOM 0 HG CYS A 65 13.502 6.463 5.311 1.00 0.00 H new ATOM 992 N SER A 66 16.912 9.840 8.311 1.00 0.00 N ATOM 993 CA SER A 66 17.445 10.252 9.604 1.00 0.00 C ATOM 994 C SER A 66 16.504 11.238 10.290 1.00 0.00 C ATOM 995 O SER A 66 15.443 11.569 9.763 1.00 0.00 O ATOM 996 CB SER A 66 18.827 10.883 9.432 1.00 0.00 C ATOM 997 OG SER A 66 18.765 12.030 8.602 1.00 0.00 O ATOM 0 H SER A 66 16.210 10.471 7.924 1.00 0.00 H new ATOM 0 HA SER A 66 17.535 9.365 10.232 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.229 11.158 10.407 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.512 10.154 8.999 1.00 0.00 H new ATOM 0 HG SER A 66 19.661 12.416 8.509 1.00 0.00 H new ATOM 1003 N ALA A 67 16.903 11.703 11.470 1.00 0.00 N ATOM 1004 CA ALA A 67 16.098 12.653 12.228 1.00 0.00 C ATOM 1005 C ALA A 67 16.596 14.080 12.025 1.00 0.00 C ATOM 1006 O ALA A 67 17.740 14.296 11.624 1.00 0.00 O ATOM 1007 CB ALA A 67 16.109 12.293 13.706 1.00 0.00 C ATOM 0 H ALA A 67 17.778 11.437 11.921 1.00 0.00 H new ATOM 0 HA ALA A 67 15.074 12.598 11.860 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.504 13.011 14.260 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.698 11.292 13.840 1.00 0.00 H new ATOM 0 HB3 ALA A 67 17.133 12.318 14.079 1.00 0.00 H new ATOM 1013 N CYS A 68 15.731 15.049 12.304 1.00 0.00 N ATOM 1014 CA CYS A 68 16.084 16.456 12.150 1.00 0.00 C ATOM 1015 C CYS A 68 15.294 17.323 13.124 1.00 0.00 C ATOM 1016 O CYS A 68 14.111 17.086 13.364 1.00 0.00 O ATOM 1017 CB CYS A 68 15.825 16.914 10.714 1.00 0.00 C ATOM 1018 SG CYS A 68 17.181 16.564 9.571 1.00 0.00 S ATOM 0 H CYS A 68 14.781 14.886 12.638 1.00 0.00 H new ATOM 0 HA CYS A 68 17.145 16.566 12.372 1.00 0.00 H new ATOM 0 HB2 CYS A 68 14.921 16.429 10.347 1.00 0.00 H new ATOM 0 HB3 CYS A 68 15.633 17.987 10.715 1.00 0.00 H new ATOM 0 HG CYS A 68 17.849 15.532 9.993 1.00 0.00 H new ATOM 1024 N ASN A 69 15.958 18.329 13.685 1.00 0.00 N ATOM 1025 CA ASN A 69 15.318 19.232 14.635 1.00 0.00 C ATOM 1026 C ASN A 69 14.675 18.451 15.778 1.00 0.00 C ATOM 1027 O ASN A 69 13.491 18.622 16.071 1.00 0.00 O ATOM 1028 CB ASN A 69 14.264 20.086 13.929 1.00 0.00 C ATOM 1029 CG ASN A 69 14.678 20.468 12.521 1.00 0.00 C ATOM 1030 OD1 ASN A 69 13.990 20.148 11.552 1.00 0.00 O ATOM 1031 ND2 ASN A 69 15.807 21.156 12.402 1.00 0.00 N ATOM 0 H ASN A 69 16.938 18.539 13.498 1.00 0.00 H new ATOM 0 HA ASN A 69 16.085 19.885 15.051 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.322 19.539 13.892 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.084 20.991 14.510 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.136 21.441 11.479 1.00 0.00 H new ATOM 0 HD22 ASN A 69 16.346 21.400 13.233 1.00 0.00 H new ATOM 1038 N VAL A 70 15.463 17.595 16.419 1.00 0.00 N ATOM 1039 CA VAL A 70 14.971 16.789 17.531 1.00 0.00 C ATOM 1040 C VAL A 70 14.582 17.666 18.716 1.00 0.00 C ATOM 1041 O VAL A 70 15.420 18.367 19.283 1.00 0.00 O ATOM 1042 CB VAL A 70 16.024 15.763 17.989 1.00 0.00 C ATOM 1043 CG1 VAL A 70 15.501 14.948 19.162 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.422 14.856 16.835 1.00 0.00 C ATOM 0 H VAL A 70 16.445 17.441 16.188 1.00 0.00 H new ATOM 0 HA VAL A 70 14.090 16.258 17.172 1.00 0.00 H new ATOM 0 HB VAL A 70 16.911 16.303 18.319 1.00 0.00 H new ATOM 0 HG11 VAL A 70 16.259 14.228 19.472 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.271 15.614 19.994 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.598 14.417 18.862 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.167 14.137 17.177 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.544 14.323 16.472 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.841 15.457 16.028 1.00 0.00 H new ATOM 1054 N TRP A 71 13.307 17.621 19.084 1.00 0.00 N ATOM 1055 CA TRP A 71 12.807 18.411 20.203 1.00 0.00 C ATOM 1056 C TRP A 71 12.185 17.515 21.268 1.00 0.00 C ATOM 1057 O TRP A 71 11.271 16.740 20.985 1.00 0.00 O ATOM 1058 CB TRP A 71 11.777 19.431 19.713 1.00 0.00 C ATOM 1059 CG TRP A 71 12.389 20.723 19.262 1.00 0.00 C ATOM 1060 CD1 TRP A 71 13.475 20.875 18.447 1.00 0.00 C ATOM 1061 CD2 TRP A 71 11.953 22.043 19.603 1.00 0.00 C ATOM 1062 NE1 TRP A 71 13.739 22.211 18.261 1.00 0.00 N ATOM 1063 CE2 TRP A 71 12.819 22.948 18.958 1.00 0.00 C ATOM 1064 CE3 TRP A 71 10.913 22.549 20.388 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 12.676 24.328 19.077 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 10.773 23.919 20.505 1.00 0.00 C ATOM 1067 CH2 TRP A 71 11.650 24.796 19.852 1.00 0.00 C ATOM 0 H TRP A 71 12.601 17.046 18.624 1.00 0.00 H new ATOM 0 HA TRP A 71 13.650 18.940 20.647 1.00 0.00 H new ATOM 0 HB2 TRP A 71 11.211 18.998 18.888 1.00 0.00 H new ATOM 0 HB3 TRP A 71 11.067 19.634 20.515 1.00 0.00 H new ATOM 0 HD1 TRP A 71 14.042 20.065 18.013 1.00 0.00 H new ATOM 0 HE1 TRP A 71 14.497 22.592 17.695 1.00 0.00 H new ATOM 0 HE3 TRP A 71 10.231 21.881 20.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 13.351 25.005 18.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.974 24.321 21.110 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.513 25.862 19.963 1.00 0.00 H new ATOM 1078 N ARG A 72 12.686 17.625 22.494 1.00 0.00 N ATOM 1079 CA ARG A 72 12.179 16.824 23.602 1.00 0.00 C ATOM 1080 C ARG A 72 10.754 17.232 23.962 1.00 0.00 C ATOM 1081 O ARG A 72 10.533 18.277 24.575 1.00 0.00 O ATOM 1082 CB ARG A 72 13.088 16.971 24.823 1.00 0.00 C ATOM 1083 CG ARG A 72 13.088 15.753 25.733 1.00 0.00 C ATOM 1084 CD ARG A 72 13.363 16.137 27.178 1.00 0.00 C ATOM 1085 NE ARG A 72 12.190 16.722 27.822 1.00 0.00 N ATOM 1086 CZ ARG A 72 12.167 17.115 29.090 1.00 0.00 C ATOM 1087 NH1 ARG A 72 13.248 16.986 29.847 1.00 0.00 N ATOM 1088 NH2 ARG A 72 11.061 17.638 29.604 1.00 0.00 N ATOM 0 H ARG A 72 13.443 18.261 22.745 1.00 0.00 H new ATOM 0 HA ARG A 72 12.170 15.780 23.288 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.107 17.162 24.486 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.773 17.843 25.397 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.124 15.248 25.667 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.843 15.044 25.394 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.679 15.254 27.734 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.188 16.848 27.213 1.00 0.00 H new ATOM 0 HE ARG A 72 11.342 16.835 27.267 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.100 16.584 29.455 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.228 17.289 30.821 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.227 17.738 29.025 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.044 17.940 30.578 1.00 0.00 H new ATOM 1102 N VAL A 73 9.790 16.402 23.576 1.00 0.00 N ATOM 1103 CA VAL A 73 8.386 16.676 23.859 1.00 0.00 C ATOM 1104 C VAL A 73 7.959 16.048 25.180 1.00 0.00 C ATOM 1105 O VAL A 73 7.059 16.549 25.855 1.00 0.00 O ATOM 1106 CB VAL A 73 7.475 16.150 22.734 1.00 0.00 C ATOM 1107 CG1 VAL A 73 7.615 14.642 22.594 1.00 0.00 C ATOM 1108 CG2 VAL A 73 6.027 16.538 22.998 1.00 0.00 C ATOM 0 H VAL A 73 9.956 15.534 23.066 1.00 0.00 H new ATOM 0 HA VAL A 73 8.281 17.759 23.925 1.00 0.00 H new ATOM 0 HB VAL A 73 7.785 16.607 21.794 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.964 14.289 21.794 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.649 14.393 22.356 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.332 14.162 23.531 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.396 16.159 22.194 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.703 16.110 23.946 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.944 17.624 23.043 1.00 0.00 H new ATOM 1118 N SER A 74 8.611 14.949 25.545 1.00 0.00 N ATOM 1119 CA SER A 74 8.296 14.250 26.785 1.00 0.00 C ATOM 1120 C SER A 74 8.335 15.206 27.973 1.00 0.00 C ATOM 1121 O SER A 74 8.866 16.312 27.877 1.00 0.00 O ATOM 1122 CB SER A 74 9.279 13.099 27.010 1.00 0.00 C ATOM 1123 OG SER A 74 8.935 12.353 28.165 1.00 0.00 O ATOM 0 H SER A 74 9.361 14.523 25.000 1.00 0.00 H new ATOM 0 HA SER A 74 7.287 13.846 26.699 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.283 12.444 26.138 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.289 13.495 27.116 1.00 0.00 H new ATOM 0 HG SER A 74 9.577 11.623 28.286 1.00 0.00 H new