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 Set 1.1: A 62 THR OG1 : rot -150:sc= -0.626 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0433 USER MOD Single : A 15 CYS SG : rot 21:sc= 0.218 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.44) USER MOD Single : A 24 ASN : amide:sc= -0.063 K(o=-0.063,f=-1.6!) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.734 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+ -149:sc= -0.43 (180deg=-1.61!) USER MOD Single : A 36 HIS : no HD1:sc= -1.03 K(o=-1,f=-1.7) USER MOD Single : A 38 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00327) USER MOD Single : A 41 GLN : amide:sc= -0.833 K(o=-0.83,f=-4.3!) USER MOD Single : A 47 GLN : amide:sc= -0.0189 K(o=-0.019,f=-0.89) USER MOD Single : A 55 SER OG : rot 21:sc= 0.343 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.214 14.843 11.524 1.00 0.00 N ATOM 67 CA LEU A 8 6.062 14.628 12.691 1.00 0.00 C ATOM 68 C LEU A 8 5.824 13.247 13.292 1.00 0.00 C ATOM 69 O LEU A 8 4.761 12.653 13.105 1.00 0.00 O ATOM 70 CB LEU A 8 5.798 15.707 13.743 1.00 0.00 C ATOM 71 CG LEU A 8 6.194 17.133 13.357 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.683 18.127 14.388 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.705 17.245 13.209 1.00 0.00 C ATOM 0 HA LEU A 8 7.102 14.689 12.369 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.735 15.699 13.983 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.333 15.437 14.654 1.00 0.00 H new ATOM 0 HG LEU A 8 5.736 17.369 12.397 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.974 19.136 14.096 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.596 18.065 14.445 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.111 17.893 15.363 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.969 18.266 12.934 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.183 16.989 14.154 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.046 16.561 12.432 1.00 0.00 H new ATOM 85 N ARG A 9 6.818 12.742 14.014 1.00 0.00 N ATOM 86 CA ARG A 9 6.715 11.430 14.644 1.00 0.00 C ATOM 87 C ARG A 9 7.247 11.470 16.073 1.00 0.00 C ATOM 88 O ARG A 9 8.273 12.094 16.347 1.00 0.00 O ATOM 89 CB ARG A 9 7.486 10.389 13.830 1.00 0.00 C ATOM 90 CG ARG A 9 6.916 10.159 12.440 1.00 0.00 C ATOM 91 CD ARG A 9 5.525 9.549 12.502 1.00 0.00 C ATOM 92 NE ARG A 9 4.975 9.304 11.171 1.00 0.00 N ATOM 93 CZ ARG A 9 3.802 8.717 10.957 1.00 0.00 C ATOM 94 NH1 ARG A 9 3.060 8.319 11.981 1.00 0.00 N ATOM 95 NH2 ARG A 9 3.370 8.529 9.717 1.00 0.00 N ATOM 0 H ARG A 9 7.704 13.220 14.178 1.00 0.00 H new ATOM 0 HA ARG A 9 5.662 11.151 14.675 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.525 10.707 13.740 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.488 9.444 14.373 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.876 11.106 11.901 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.579 9.500 11.878 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.565 8.611 13.056 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.861 10.216 13.052 1.00 0.00 H new ATOM 0 HE ARG A 9 5.521 9.600 10.362 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.389 8.463 12.936 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.160 7.869 11.814 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.938 8.835 8.927 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.470 8.078 9.553 1.00 0.00 H new ATOM 109 N ARG A 10 6.543 10.801 16.980 1.00 0.00 N ATOM 110 CA ARG A 10 6.944 10.761 18.381 1.00 0.00 C ATOM 111 C ARG A 10 7.356 9.350 18.789 1.00 0.00 C ATOM 112 O ARG A 10 6.581 8.404 18.657 1.00 0.00 O ATOM 113 CB ARG A 10 5.801 11.248 19.274 1.00 0.00 C ATOM 114 CG ARG A 10 5.785 12.755 19.474 1.00 0.00 C ATOM 115 CD ARG A 10 4.374 13.270 19.713 1.00 0.00 C ATOM 116 NE ARG A 10 4.199 13.778 21.071 1.00 0.00 N ATOM 117 CZ ARG A 10 3.963 13.001 22.122 1.00 0.00 C ATOM 118 NH1 ARG A 10 3.876 11.686 21.972 1.00 0.00 N ATOM 119 NH2 ARG A 10 3.815 13.538 23.326 1.00 0.00 N ATOM 0 H ARG A 10 5.692 10.279 16.770 1.00 0.00 H new ATOM 0 HA ARG A 10 7.802 11.422 18.506 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.852 10.938 18.837 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.878 10.762 20.246 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.418 13.017 20.322 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.208 13.244 18.597 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.151 14.062 18.998 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.660 12.467 19.532 1.00 0.00 H new ATOM 0 HE ARG A 10 4.261 14.785 21.221 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.990 11.269 21.048 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.695 11.091 22.781 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.882 14.549 23.445 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.634 12.940 24.132 1.00 0.00 H new ATOM 133 N ALA A 11 8.582 9.217 19.284 1.00 0.00 N ATOM 134 CA ALA A 11 9.097 7.922 19.712 1.00 0.00 C ATOM 135 C ALA A 11 10.112 8.080 20.840 1.00 0.00 C ATOM 136 O ALA A 11 10.813 9.089 20.921 1.00 0.00 O ATOM 137 CB ALA A 11 9.723 7.188 18.536 1.00 0.00 C ATOM 0 H ALA A 11 9.237 9.990 19.399 1.00 0.00 H new ATOM 0 HA ALA A 11 8.261 7.334 20.090 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.103 6.223 18.870 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.971 7.034 17.762 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.543 7.781 18.132 1.00 0.00 H new ATOM 143 N THR A 12 10.184 7.077 21.709 1.00 0.00 N ATOM 144 CA THR A 12 11.112 7.106 22.833 1.00 0.00 C ATOM 145 C THR A 12 12.503 6.649 22.410 1.00 0.00 C ATOM 146 O THR A 12 12.650 5.846 21.489 1.00 0.00 O ATOM 147 CB THR A 12 10.621 6.215 23.990 1.00 0.00 C ATOM 148 OG1 THR A 12 10.068 5.000 23.471 1.00 0.00 O ATOM 149 CG2 THR A 12 9.574 6.938 24.824 1.00 0.00 C ATOM 0 H THR A 12 9.611 6.235 21.656 1.00 0.00 H new ATOM 0 HA THR A 12 11.161 8.140 23.175 1.00 0.00 H new ATOM 0 HB THR A 12 11.474 5.983 24.628 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.760 4.438 24.212 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.243 6.289 25.635 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.006 7.848 25.241 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.722 7.196 24.195 1.00 0.00 H new ATOM 157 N VAL A 13 13.522 7.166 23.089 1.00 0.00 N ATOM 158 CA VAL A 13 14.903 6.809 22.784 1.00 0.00 C ATOM 159 C VAL A 13 15.342 5.584 23.577 1.00 0.00 C ATOM 160 O VAL A 13 14.971 5.419 24.739 1.00 0.00 O ATOM 161 CB VAL A 13 15.864 7.974 23.088 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.300 7.575 22.786 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.468 9.211 22.295 1.00 0.00 C ATOM 0 H VAL A 13 13.418 7.833 23.854 1.00 0.00 H new ATOM 0 HA VAL A 13 14.943 6.582 21.719 1.00 0.00 H new ATOM 0 HB VAL A 13 15.794 8.212 24.149 1.00 0.00 H new ATOM 0 HG11 VAL A 13 17.964 8.411 23.007 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.577 6.719 23.401 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.390 7.309 21.733 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.157 10.025 22.522 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.508 8.988 21.229 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.455 9.508 22.566 1.00 0.00 H new ATOM 173 N GLU A 14 16.134 4.726 22.941 1.00 0.00 N ATOM 174 CA GLU A 14 16.623 3.515 23.588 1.00 0.00 C ATOM 175 C GLU A 14 17.670 3.848 24.647 1.00 0.00 C ATOM 176 O GLU A 14 17.411 3.741 25.846 1.00 0.00 O ATOM 177 CB GLU A 14 17.218 2.560 22.550 1.00 0.00 C ATOM 178 CG GLU A 14 17.719 1.253 23.142 1.00 0.00 C ATOM 179 CD GLU A 14 18.142 0.257 22.080 1.00 0.00 C ATOM 180 OE1 GLU A 14 17.273 -0.500 21.599 1.00 0.00 O ATOM 181 OE2 GLU A 14 19.340 0.233 21.731 1.00 0.00 O ATOM 0 H GLU A 14 16.450 4.848 21.979 1.00 0.00 H new ATOM 0 HA GLU A 14 15.779 3.029 24.077 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.463 2.341 21.795 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.043 3.058 22.041 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.563 1.457 23.801 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.934 0.812 23.757 1.00 0.00 H new ATOM 188 N CYS A 15 18.852 4.251 24.195 1.00 0.00 N ATOM 189 CA CYS A 15 19.940 4.599 25.103 1.00 0.00 C ATOM 190 C CYS A 15 20.792 5.724 24.525 1.00 0.00 C ATOM 191 O CYS A 15 21.076 5.749 23.327 1.00 0.00 O ATOM 192 CB CYS A 15 20.812 3.373 25.381 1.00 0.00 C ATOM 193 SG CYS A 15 20.145 2.265 26.644 1.00 0.00 S ATOM 0 H CYS A 15 19.082 4.345 23.206 1.00 0.00 H new ATOM 0 HA CYS A 15 19.502 4.944 26.040 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.941 2.814 24.454 1.00 0.00 H new ATOM 0 HB3 CYS A 15 21.802 3.707 25.692 1.00 0.00 H new ATOM 0 HG CYS A 15 18.866 2.463 26.763 1.00 0.00 H new ATOM 199 N VAL A 16 21.197 6.654 25.383 1.00 0.00 N ATOM 200 CA VAL A 16 22.017 7.782 24.958 1.00 0.00 C ATOM 201 C VAL A 16 23.267 7.909 25.820 1.00 0.00 C ATOM 202 O VAL A 16 23.354 8.784 26.682 1.00 0.00 O ATOM 203 CB VAL A 16 21.228 9.104 25.019 1.00 0.00 C ATOM 204 CG1 VAL A 16 22.075 10.256 24.501 1.00 0.00 C ATOM 205 CG2 VAL A 16 19.932 8.987 24.231 1.00 0.00 C ATOM 0 H VAL A 16 20.971 6.649 26.378 1.00 0.00 H new ATOM 0 HA VAL A 16 22.310 7.589 23.926 1.00 0.00 H new ATOM 0 HB VAL A 16 20.976 9.310 26.059 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.501 11.181 24.552 1.00 0.00 H new ATOM 0 HG12 VAL A 16 22.972 10.352 25.112 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.360 10.062 23.467 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.387 9.930 24.285 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.159 8.758 23.190 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.320 8.190 24.653 1.00 0.00 H new ATOM 215 N LYS A 17 24.235 7.031 25.583 1.00 0.00 N ATOM 216 CA LYS A 17 25.483 7.044 26.336 1.00 0.00 C ATOM 217 C LYS A 17 26.574 7.784 25.568 1.00 0.00 C ATOM 218 O LYS A 17 27.318 8.580 26.141 1.00 0.00 O ATOM 219 CB LYS A 17 25.937 5.613 26.636 1.00 0.00 C ATOM 220 CG LYS A 17 27.197 5.540 27.481 1.00 0.00 C ATOM 221 CD LYS A 17 27.826 4.157 27.426 1.00 0.00 C ATOM 222 CE LYS A 17 29.325 4.217 27.672 1.00 0.00 C ATOM 223 NZ LYS A 17 29.902 2.865 27.911 1.00 0.00 N ATOM 0 H LYS A 17 24.179 6.300 24.874 1.00 0.00 H new ATOM 0 HA LYS A 17 25.306 7.567 27.276 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.133 5.086 27.150 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.110 5.091 25.695 1.00 0.00 H new ATOM 0 HG2 LYS A 17 27.915 6.281 27.130 1.00 0.00 H new ATOM 0 HG3 LYS A 17 26.958 5.791 28.514 1.00 0.00 H new ATOM 0 HD2 LYS A 17 27.359 3.514 28.172 1.00 0.00 H new ATOM 0 HD3 LYS A 17 27.634 3.707 26.452 1.00 0.00 H new ATOM 0 HE2 LYS A 17 29.816 4.675 26.813 1.00 0.00 H new ATOM 0 HE3 LYS A 17 29.527 4.855 28.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 30.926 2.948 28.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 29.452 2.438 28.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 29.732 2.263 27.080 1.00 0.00 H new ATOM 237 N ASP A 18 26.662 7.517 24.270 1.00 0.00 N ATOM 238 CA ASP A 18 27.660 8.159 23.423 1.00 0.00 C ATOM 239 C ASP A 18 27.055 9.338 22.667 1.00 0.00 C ATOM 240 O ASP A 18 25.843 9.552 22.702 1.00 0.00 O ATOM 241 CB ASP A 18 28.247 7.151 22.434 1.00 0.00 C ATOM 242 CG ASP A 18 28.546 5.813 23.081 1.00 0.00 C ATOM 243 OD1 ASP A 18 27.614 4.990 23.199 1.00 0.00 O ATOM 244 OD2 ASP A 18 29.711 5.588 23.470 1.00 0.00 O ATOM 0 H ASP A 18 26.054 6.860 23.781 1.00 0.00 H new ATOM 0 HA ASP A 18 28.458 8.533 24.065 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.548 7.005 21.610 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.163 7.557 22.006 1.00 0.00 H new ATOM 249 N GLN A 19 27.906 10.099 21.988 1.00 0.00 N ATOM 250 CA GLN A 19 27.454 11.257 21.225 1.00 0.00 C ATOM 251 C GLN A 19 26.317 10.878 20.282 1.00 0.00 C ATOM 252 O GLN A 19 25.452 11.698 19.975 1.00 0.00 O ATOM 253 CB GLN A 19 28.615 11.855 20.430 1.00 0.00 C ATOM 254 CG GLN A 19 29.467 12.825 21.233 1.00 0.00 C ATOM 255 CD GLN A 19 29.953 12.231 22.540 1.00 0.00 C ATOM 256 OE1 GLN A 19 29.284 12.334 23.568 1.00 0.00 O ATOM 257 NE2 GLN A 19 31.123 11.604 22.507 1.00 0.00 N ATOM 0 H GLN A 19 28.912 9.935 21.950 1.00 0.00 H new ATOM 0 HA GLN A 19 27.084 12.002 21.929 1.00 0.00 H new ATOM 0 HB2 GLN A 19 29.248 11.047 20.063 1.00 0.00 H new ATOM 0 HB3 GLN A 19 28.218 12.371 19.556 1.00 0.00 H new ATOM 0 HG2 GLN A 19 30.326 13.129 20.635 1.00 0.00 H new ATOM 0 HG3 GLN A 19 28.888 13.725 21.440 1.00 0.00 H new ATOM 0 HE21 GLN A 19 31.644 11.542 21.632 1.00 0.00 H new ATOM 0 HE22 GLN A 19 31.501 11.184 23.356 1.00 0.00 H new ATOM 266 N PHE A 20 26.327 9.630 19.824 1.00 0.00 N ATOM 267 CA PHE A 20 25.297 9.143 18.914 1.00 0.00 C ATOM 268 C PHE A 20 24.476 8.033 19.565 1.00 0.00 C ATOM 269 O PHE A 20 25.026 7.099 20.147 1.00 0.00 O ATOM 270 CB PHE A 20 25.932 8.630 17.619 1.00 0.00 C ATOM 271 CG PHE A 20 26.951 7.549 17.839 1.00 0.00 C ATOM 272 CD1 PHE A 20 28.282 7.868 18.059 1.00 0.00 C ATOM 273 CD2 PHE A 20 26.579 6.215 17.826 1.00 0.00 C ATOM 274 CE1 PHE A 20 29.222 6.875 18.260 1.00 0.00 C ATOM 275 CE2 PHE A 20 27.515 5.217 18.027 1.00 0.00 C ATOM 276 CZ PHE A 20 28.838 5.548 18.246 1.00 0.00 C ATOM 0 H PHE A 20 27.036 8.939 20.068 1.00 0.00 H new ATOM 0 HA PHE A 20 24.631 9.974 18.681 1.00 0.00 H new ATOM 0 HB2 PHE A 20 25.147 8.251 16.964 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.405 9.464 17.100 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.588 8.904 18.073 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.546 5.951 17.657 1.00 0.00 H new ATOM 0 HE1 PHE A 20 30.256 7.136 18.428 1.00 0.00 H new ATOM 0 HE2 PHE A 20 27.212 4.180 18.013 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.571 4.771 18.406 1.00 0.00 H new ATOM 286 N GLY A 21 23.155 8.144 19.462 1.00 0.00 N ATOM 287 CA GLY A 21 22.279 7.145 20.046 1.00 0.00 C ATOM 288 C GLY A 21 21.255 6.624 19.058 1.00 0.00 C ATOM 289 O GLY A 21 21.198 7.076 17.914 1.00 0.00 O ATOM 0 H GLY A 21 22.676 8.908 18.985 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.878 6.313 20.417 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.764 7.575 20.905 1.00 0.00 H new ATOM 293 N PHE A 22 20.443 5.669 19.499 1.00 0.00 N ATOM 294 CA PHE A 22 19.416 5.084 18.644 1.00 0.00 C ATOM 295 C PHE A 22 18.027 5.294 19.240 1.00 0.00 C ATOM 296 O PHE A 22 17.845 5.220 20.455 1.00 0.00 O ATOM 297 CB PHE A 22 19.678 3.589 18.447 1.00 0.00 C ATOM 298 CG PHE A 22 20.820 3.299 17.514 1.00 0.00 C ATOM 299 CD1 PHE A 22 20.628 3.297 16.142 1.00 0.00 C ATOM 300 CD2 PHE A 22 22.084 3.026 18.010 1.00 0.00 C ATOM 301 CE1 PHE A 22 21.676 3.030 15.282 1.00 0.00 C ATOM 302 CE2 PHE A 22 23.136 2.759 17.155 1.00 0.00 C ATOM 303 CZ PHE A 22 22.932 2.760 15.789 1.00 0.00 C ATOM 0 H PHE A 22 20.476 5.284 20.443 1.00 0.00 H new ATOM 0 HA PHE A 22 19.456 5.584 17.676 1.00 0.00 H new ATOM 0 HB2 PHE A 22 19.886 3.134 19.415 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.774 3.118 18.060 1.00 0.00 H new ATOM 0 HD1 PHE A 22 19.648 3.507 15.740 1.00 0.00 H new ATOM 0 HD2 PHE A 22 22.249 3.022 19.077 1.00 0.00 H new ATOM 0 HE1 PHE A 22 21.513 3.032 14.214 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.117 2.550 17.555 1.00 0.00 H new ATOM 0 HZ PHE A 22 23.753 2.550 15.119 1.00 0.00 H new ATOM 313 N ILE A 23 17.053 5.555 18.376 1.00 0.00 N ATOM 314 CA ILE A 23 15.681 5.776 18.816 1.00 0.00 C ATOM 315 C ILE A 23 14.792 4.589 18.459 1.00 0.00 C ATOM 316 O ILE A 23 14.980 3.948 17.426 1.00 0.00 O ATOM 317 CB ILE A 23 15.088 7.053 18.193 1.00 0.00 C ATOM 318 CG1 ILE A 23 16.044 8.232 18.385 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.729 7.360 18.805 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.551 9.518 17.761 1.00 0.00 C ATOM 0 H ILE A 23 17.188 5.619 17.367 1.00 0.00 H new ATOM 0 HA ILE A 23 15.712 5.892 19.899 1.00 0.00 H new ATOM 0 HB ILE A 23 14.954 6.889 17.124 1.00 0.00 H new ATOM 0 HG12 ILE A 23 16.201 8.392 19.452 1.00 0.00 H new ATOM 0 HG13 ILE A 23 17.013 7.977 17.955 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.323 8.266 18.354 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.050 6.527 18.621 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.839 7.507 19.879 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.279 10.310 17.937 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.421 9.376 16.688 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.597 9.797 18.208 1.00 0.00 H new ATOM 332 N ASN A 24 13.821 4.304 19.320 1.00 0.00 N ATOM 333 CA ASN A 24 12.901 3.195 19.095 1.00 0.00 C ATOM 334 C ASN A 24 11.868 3.552 18.031 1.00 0.00 C ATOM 335 O ASN A 24 10.708 3.824 18.343 1.00 0.00 O ATOM 336 CB ASN A 24 12.196 2.817 20.400 1.00 0.00 C ATOM 337 CG ASN A 24 13.092 2.024 21.332 1.00 0.00 C ATOM 338 OD1 ASN A 24 14.088 1.440 20.906 1.00 0.00 O ATOM 339 ND2 ASN A 24 12.739 2.001 22.612 1.00 0.00 N ATOM 0 H ASN A 24 13.651 4.825 20.180 1.00 0.00 H new ATOM 0 HA ASN A 24 13.480 2.342 18.742 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.862 3.723 20.905 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.305 2.232 20.172 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.302 1.484 23.287 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.905 2.500 22.920 1.00 0.00 H new ATOM 346 N TYR A 25 12.297 3.550 16.774 1.00 0.00 N ATOM 347 CA TYR A 25 11.410 3.875 15.663 1.00 0.00 C ATOM 348 C TYR A 25 11.890 3.220 14.372 1.00 0.00 C ATOM 349 O TYR A 25 13.005 3.469 13.914 1.00 0.00 O ATOM 350 CB TYR A 25 11.326 5.391 15.478 1.00 0.00 C ATOM 351 CG TYR A 25 10.180 5.831 14.595 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.862 5.681 15.008 1.00 0.00 C ATOM 353 CD2 TYR A 25 10.415 6.398 13.349 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.812 6.080 14.204 1.00 0.00 C ATOM 355 CE2 TYR A 25 9.371 6.802 12.539 1.00 0.00 C ATOM 356 CZ TYR A 25 8.072 6.641 12.971 1.00 0.00 C ATOM 357 OH TYR A 25 7.028 7.041 12.168 1.00 0.00 O ATOM 0 H TYR A 25 13.253 3.327 16.499 1.00 0.00 H new ATOM 0 HA TYR A 25 10.418 3.488 15.898 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.222 5.863 16.455 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.262 5.749 15.049 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.655 5.245 15.974 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.432 6.525 13.007 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.793 5.953 14.539 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.572 7.241 11.573 1.00 0.00 H new ATOM 0 HH TYR A 25 7.382 7.416 11.335 1.00 0.00 H new ATOM 367 N GLU A 26 11.039 2.380 13.791 1.00 0.00 N ATOM 368 CA GLU A 26 11.377 1.687 12.553 1.00 0.00 C ATOM 369 C GLU A 26 10.838 2.444 11.342 1.00 0.00 C ATOM 370 O GLU A 26 9.631 2.645 11.208 1.00 0.00 O ATOM 371 CB GLU A 26 10.815 0.264 12.569 1.00 0.00 C ATOM 372 CG GLU A 26 11.294 -0.592 11.409 1.00 0.00 C ATOM 373 CD GLU A 26 11.202 -2.077 11.703 1.00 0.00 C ATOM 374 OE1 GLU A 26 10.559 -2.445 12.708 1.00 0.00 O ATOM 375 OE2 GLU A 26 11.774 -2.871 10.927 1.00 0.00 O ATOM 0 H GLU A 26 10.112 2.163 14.157 1.00 0.00 H new ATOM 0 HA GLU A 26 12.463 1.640 12.478 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.096 -0.218 13.505 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.726 0.312 12.549 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.700 -0.363 10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.327 -0.335 11.175 1.00 0.00 H new ATOM 382 N VAL A 27 11.743 2.863 10.463 1.00 0.00 N ATOM 383 CA VAL A 27 11.361 3.597 9.263 1.00 0.00 C ATOM 384 C VAL A 27 11.690 2.803 8.004 1.00 0.00 C ATOM 385 O VAL A 27 11.029 2.947 6.976 1.00 0.00 O ATOM 386 CB VAL A 27 12.066 4.965 9.193 1.00 0.00 C ATOM 387 CG1 VAL A 27 11.611 5.860 10.335 1.00 0.00 C ATOM 388 CG2 VAL A 27 13.577 4.786 9.215 1.00 0.00 C ATOM 0 H VAL A 27 12.746 2.706 10.560 1.00 0.00 H new ATOM 0 HA VAL A 27 10.284 3.754 9.318 1.00 0.00 H new ATOM 0 HB VAL A 27 11.793 5.448 8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.120 6.822 10.269 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.534 6.014 10.270 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.853 5.387 11.287 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.060 5.762 9.165 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.870 4.283 10.136 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.885 4.185 8.359 1.00 0.00 H new ATOM 398 N GLY A 28 12.716 1.963 8.092 1.00 0.00 N ATOM 399 CA GLY A 28 13.115 1.157 6.953 1.00 0.00 C ATOM 400 C GLY A 28 13.820 -0.120 7.365 1.00 0.00 C ATOM 401 O GLY A 28 13.317 -0.874 8.198 1.00 0.00 O ATOM 0 H GLY A 28 13.278 1.826 8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.234 0.907 6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.774 1.742 6.311 1.00 0.00 H new ATOM 405 N ASP A 29 14.987 -0.365 6.779 1.00 0.00 N ATOM 406 CA ASP A 29 15.762 -1.561 7.089 1.00 0.00 C ATOM 407 C ASP A 29 16.257 -1.529 8.532 1.00 0.00 C ATOM 408 O ASP A 29 16.483 -2.572 9.145 1.00 0.00 O ATOM 409 CB ASP A 29 16.949 -1.688 6.133 1.00 0.00 C ATOM 410 CG ASP A 29 17.541 -3.083 6.127 1.00 0.00 C ATOM 411 OD1 ASP A 29 16.768 -4.056 6.252 1.00 0.00 O ATOM 412 OD2 ASP A 29 18.778 -3.203 5.997 1.00 0.00 O ATOM 0 H ASP A 29 15.417 0.249 6.087 1.00 0.00 H new ATOM 0 HA ASP A 29 15.112 -2.427 6.966 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.629 -1.428 5.124 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.719 -0.971 6.417 1.00 0.00 H new ATOM 417 N SER A 30 16.424 -0.324 9.068 1.00 0.00 N ATOM 418 CA SER A 30 16.896 -0.155 10.438 1.00 0.00 C ATOM 419 C SER A 30 15.725 -0.107 11.414 1.00 0.00 C ATOM 420 O SER A 30 14.792 0.678 11.246 1.00 0.00 O ATOM 421 CB SER A 30 17.729 1.123 10.559 1.00 0.00 C ATOM 422 OG SER A 30 19.069 0.898 10.157 1.00 0.00 O ATOM 0 H SER A 30 16.240 0.550 8.575 1.00 0.00 H new ATOM 0 HA SER A 30 17.521 -1.012 10.689 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.288 1.908 9.944 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.710 1.477 11.590 1.00 0.00 H new ATOM 0 HG SER A 30 19.580 1.730 10.242 1.00 0.00 H new ATOM 428 N LYS A 31 15.781 -0.953 12.437 1.00 0.00 N ATOM 429 CA LYS A 31 14.728 -1.009 13.444 1.00 0.00 C ATOM 430 C LYS A 31 14.668 0.290 14.241 1.00 0.00 C ATOM 431 O LYS A 31 13.594 0.729 14.654 1.00 0.00 O ATOM 432 CB LYS A 31 14.958 -2.190 14.389 1.00 0.00 C ATOM 433 CG LYS A 31 14.016 -2.209 15.580 1.00 0.00 C ATOM 434 CD LYS A 31 14.208 -3.458 16.423 1.00 0.00 C ATOM 435 CE LYS A 31 13.468 -4.649 15.833 1.00 0.00 C ATOM 436 NZ LYS A 31 12.047 -4.694 16.277 1.00 0.00 N ATOM 0 H LYS A 31 16.546 -1.610 12.591 1.00 0.00 H new ATOM 0 HA LYS A 31 13.776 -1.144 12.930 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.843 -3.119 13.831 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.986 -2.161 14.750 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.187 -1.325 16.194 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.985 -2.160 15.230 1.00 0.00 H new ATOM 0 HD2 LYS A 31 15.271 -3.689 16.496 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.852 -3.273 17.436 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.507 -4.598 14.745 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.970 -5.571 16.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.577 -5.520 15.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.009 -4.768 17.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.561 -3.826 15.974 1.00 0.00 H new ATOM 450 N LYS A 32 15.828 0.902 14.454 1.00 0.00 N ATOM 451 CA LYS A 32 15.909 2.153 15.200 1.00 0.00 C ATOM 452 C LYS A 32 16.374 3.293 14.300 1.00 0.00 C ATOM 453 O LYS A 32 16.763 3.073 13.152 1.00 0.00 O ATOM 454 CB LYS A 32 16.863 2.002 16.386 1.00 0.00 C ATOM 455 CG LYS A 32 16.283 1.197 17.536 1.00 0.00 C ATOM 456 CD LYS A 32 16.561 -0.288 17.373 1.00 0.00 C ATOM 457 CE LYS A 32 17.927 -0.663 17.928 1.00 0.00 C ATOM 458 NZ LYS A 32 19.005 -0.481 16.916 1.00 0.00 N ATOM 0 H LYS A 32 16.726 0.552 14.120 1.00 0.00 H new ATOM 0 HA LYS A 32 14.913 2.391 15.572 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.780 1.522 16.045 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.137 2.993 16.749 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.708 1.547 18.477 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.207 1.363 17.591 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.789 -0.862 17.885 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.510 -0.555 16.318 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.144 -0.051 18.804 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.912 -1.701 18.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.759 -1.178 17.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.612 -0.616 15.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.398 0.479 16.996 1.00 0.00 H new ATOM 472 N LEU A 33 16.334 4.511 14.829 1.00 0.00 N ATOM 473 CA LEU A 33 16.754 5.687 14.074 1.00 0.00 C ATOM 474 C LEU A 33 18.160 6.119 14.477 1.00 0.00 C ATOM 475 O LEU A 33 18.688 5.679 15.498 1.00 0.00 O ATOM 476 CB LEU A 33 15.771 6.838 14.297 1.00 0.00 C ATOM 477 CG LEU A 33 15.629 7.832 13.144 1.00 0.00 C ATOM 478 CD1 LEU A 33 15.156 7.125 11.884 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.671 8.953 13.521 1.00 0.00 C ATOM 0 H LEU A 33 16.015 4.710 15.777 1.00 0.00 H new ATOM 0 HA LEU A 33 16.764 5.425 13.016 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.789 6.415 14.508 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.080 7.386 15.187 1.00 0.00 H new ATOM 0 HG LEU A 33 16.607 8.269 12.944 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.061 7.849 11.075 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.879 6.359 11.603 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.188 6.659 12.070 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.582 9.651 12.689 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.691 8.533 13.749 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.053 9.479 14.396 1.00 0.00 H new ATOM 491 N PHE A 34 18.761 6.986 13.669 1.00 0.00 N ATOM 492 CA PHE A 34 20.106 7.479 13.941 1.00 0.00 C ATOM 493 C PHE A 34 20.124 9.004 14.004 1.00 0.00 C ATOM 494 O PHE A 34 19.565 9.679 13.139 1.00 0.00 O ATOM 495 CB PHE A 34 21.079 6.991 12.866 1.00 0.00 C ATOM 496 CG PHE A 34 22.445 7.607 12.969 1.00 0.00 C ATOM 497 CD1 PHE A 34 23.258 7.343 14.059 1.00 0.00 C ATOM 498 CD2 PHE A 34 22.915 8.450 11.975 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.515 7.910 14.156 1.00 0.00 C ATOM 500 CE2 PHE A 34 24.172 9.019 12.066 1.00 0.00 C ATOM 501 CZ PHE A 34 24.973 8.748 13.158 1.00 0.00 C ATOM 0 H PHE A 34 18.338 7.362 12.820 1.00 0.00 H new ATOM 0 HA PHE A 34 20.420 7.089 14.909 1.00 0.00 H new ATOM 0 HB2 PHE A 34 21.172 5.907 12.936 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.663 7.212 11.883 1.00 0.00 H new ATOM 0 HD1 PHE A 34 22.906 6.687 14.842 1.00 0.00 H new ATOM 0 HD2 PHE A 34 22.292 8.665 11.119 1.00 0.00 H new ATOM 0 HE1 PHE A 34 25.139 7.698 15.012 1.00 0.00 H new ATOM 0 HE2 PHE A 34 24.527 9.674 11.284 1.00 0.00 H new ATOM 0 HZ PHE A 34 25.955 9.190 13.231 1.00 0.00 H new ATOM 511 N PHE A 35 20.768 9.540 15.035 1.00 0.00 N ATOM 512 CA PHE A 35 20.858 10.985 15.213 1.00 0.00 C ATOM 513 C PHE A 35 22.113 11.359 15.995 1.00 0.00 C ATOM 514 O PHE A 35 22.643 10.556 16.763 1.00 0.00 O ATOM 515 CB PHE A 35 19.617 11.509 15.938 1.00 0.00 C ATOM 516 CG PHE A 35 19.583 11.159 17.399 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.269 9.874 17.810 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.866 12.116 18.360 1.00 0.00 C ATOM 519 CE1 PHE A 35 19.238 9.548 19.153 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.836 11.796 19.704 1.00 0.00 C ATOM 521 CZ PHE A 35 19.521 10.512 20.101 1.00 0.00 C ATOM 0 H PHE A 35 21.235 8.996 15.760 1.00 0.00 H new ATOM 0 HA PHE A 35 20.915 11.445 14.226 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.574 12.593 15.831 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.727 11.106 15.455 1.00 0.00 H new ATOM 0 HD1 PHE A 35 19.046 9.118 17.072 1.00 0.00 H new ATOM 0 HD2 PHE A 35 20.113 13.122 18.056 1.00 0.00 H new ATOM 0 HE1 PHE A 35 18.993 8.542 19.460 1.00 0.00 H new ATOM 0 HE2 PHE A 35 20.059 12.551 20.444 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.496 10.261 21.151 1.00 0.00 H new ATOM 531 N HIS A 36 22.585 12.585 15.793 1.00 0.00 N ATOM 532 CA HIS A 36 23.779 13.068 16.478 1.00 0.00 C ATOM 533 C HIS A 36 23.427 14.175 17.468 1.00 0.00 C ATOM 534 O HIS A 36 22.355 14.774 17.389 1.00 0.00 O ATOM 535 CB HIS A 36 24.803 13.580 15.465 1.00 0.00 C ATOM 536 CG HIS A 36 26.194 13.674 16.014 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.867 14.868 16.157 1.00 0.00 N ATOM 538 CD2 HIS A 36 27.037 12.712 16.456 1.00 0.00 C ATOM 539 CE1 HIS A 36 28.066 14.637 16.663 1.00 0.00 C ATOM 540 NE2 HIS A 36 28.194 13.336 16.854 1.00 0.00 N ATOM 0 H HIS A 36 22.159 13.262 15.160 1.00 0.00 H new ATOM 0 HA HIS A 36 24.213 12.235 17.031 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.807 12.918 14.599 1.00 0.00 H new ATOM 0 HB3 HIS A 36 24.493 14.564 15.113 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.837 11.651 16.490 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.814 15.385 16.883 1.00 0.00 H new ATOM 0 HE2 HIS A 36 29.018 12.871 17.235 1.00 0.00 H new ATOM 548 N VAL A 37 24.338 14.440 18.400 1.00 0.00 N ATOM 549 CA VAL A 37 24.124 15.475 19.404 1.00 0.00 C ATOM 550 C VAL A 37 23.863 16.828 18.753 1.00 0.00 C ATOM 551 O VAL A 37 23.231 17.704 19.344 1.00 0.00 O ATOM 552 CB VAL A 37 25.333 15.597 20.350 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.375 14.424 21.317 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.625 15.689 19.553 1.00 0.00 C ATOM 0 H VAL A 37 25.230 13.952 18.480 1.00 0.00 H new ATOM 0 HA VAL A 37 23.248 15.179 19.982 1.00 0.00 H new ATOM 0 HB VAL A 37 25.226 16.512 20.932 1.00 0.00 H new ATOM 0 HG11 VAL A 37 26.236 14.528 21.977 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.461 14.410 21.911 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.458 13.493 20.756 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.469 15.775 20.237 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.741 14.793 18.944 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.592 16.566 18.906 1.00 0.00 H new ATOM 564 N LYS A 38 24.354 16.994 17.529 1.00 0.00 N ATOM 565 CA LYS A 38 24.174 18.240 16.794 1.00 0.00 C ATOM 566 C LYS A 38 22.713 18.434 16.403 1.00 0.00 C ATOM 567 O LYS A 38 22.224 19.562 16.335 1.00 0.00 O ATOM 568 CB LYS A 38 25.054 18.249 15.542 1.00 0.00 C ATOM 569 CG LYS A 38 24.541 17.349 14.431 1.00 0.00 C ATOM 570 CD LYS A 38 25.674 16.852 13.549 1.00 0.00 C ATOM 571 CE LYS A 38 25.177 16.482 12.160 1.00 0.00 C ATOM 572 NZ LYS A 38 24.227 15.335 12.198 1.00 0.00 N ATOM 0 H LYS A 38 24.880 16.280 17.025 1.00 0.00 H new ATOM 0 HA LYS A 38 24.470 19.063 17.444 1.00 0.00 H new ATOM 0 HB2 LYS A 38 25.127 19.270 15.167 1.00 0.00 H new ATOM 0 HB3 LYS A 38 26.062 17.937 15.815 1.00 0.00 H new ATOM 0 HG2 LYS A 38 24.016 16.498 14.864 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.818 17.894 13.824 1.00 0.00 H new ATOM 0 HD2 LYS A 38 26.440 17.624 13.469 1.00 0.00 H new ATOM 0 HD3 LYS A 38 26.143 15.984 14.012 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.687 17.344 11.708 1.00 0.00 H new ATOM 0 HE3 LYS A 38 26.027 16.229 11.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 23.938 15.092 11.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.691 14.514 12.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 23.388 15.597 12.754 1.00 0.00 H new ATOM 586 N GLU A 39 22.021 17.328 16.148 1.00 0.00 N ATOM 587 CA GLU A 39 20.615 17.379 15.765 1.00 0.00 C ATOM 588 C GLU A 39 19.790 18.117 16.815 1.00 0.00 C ATOM 589 O GLU A 39 19.216 19.171 16.542 1.00 0.00 O ATOM 590 CB GLU A 39 20.065 15.964 15.571 1.00 0.00 C ATOM 591 CG GLU A 39 20.563 15.286 14.305 1.00 0.00 C ATOM 592 CD GLU A 39 19.684 14.125 13.881 1.00 0.00 C ATOM 593 OE1 GLU A 39 18.548 14.025 14.390 1.00 0.00 O ATOM 594 OE2 GLU A 39 20.132 13.317 13.041 1.00 0.00 O ATOM 0 H GLU A 39 22.411 16.387 16.200 1.00 0.00 H new ATOM 0 HA GLU A 39 20.542 17.923 14.823 1.00 0.00 H new ATOM 0 HB2 GLU A 39 20.341 15.355 16.432 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.976 16.007 15.546 1.00 0.00 H new ATOM 0 HG2 GLU A 39 20.606 16.018 13.498 1.00 0.00 H new ATOM 0 HG3 GLU A 39 21.580 14.928 14.465 1.00 0.00 H new ATOM 601 N VAL A 40 19.737 17.556 18.019 1.00 0.00 N ATOM 602 CA VAL A 40 18.983 18.160 19.111 1.00 0.00 C ATOM 603 C VAL A 40 19.368 19.623 19.301 1.00 0.00 C ATOM 604 O VAL A 40 20.549 19.967 19.310 1.00 0.00 O ATOM 605 CB VAL A 40 19.211 17.405 20.434 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.695 17.335 20.761 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.438 18.068 21.565 1.00 0.00 C ATOM 0 H VAL A 40 20.207 16.684 18.263 1.00 0.00 H new ATOM 0 HA VAL A 40 17.929 18.097 18.841 1.00 0.00 H new ATOM 0 HB VAL A 40 18.841 16.386 20.319 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.836 16.798 21.699 1.00 0.00 H new ATOM 0 HG12 VAL A 40 21.220 16.812 19.961 1.00 0.00 H new ATOM 0 HG13 VAL A 40 21.094 18.345 20.857 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.610 17.522 22.492 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.776 19.098 21.682 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.373 18.060 21.332 1.00 0.00 H new ATOM 617 N GLN A 41 18.362 20.478 19.451 1.00 0.00 N ATOM 618 CA GLN A 41 18.596 21.905 19.641 1.00 0.00 C ATOM 619 C GLN A 41 18.147 22.351 21.028 1.00 0.00 C ATOM 620 O GLN A 41 17.758 21.530 21.859 1.00 0.00 O ATOM 621 CB GLN A 41 17.857 22.711 18.570 1.00 0.00 C ATOM 622 CG GLN A 41 18.017 22.148 17.167 1.00 0.00 C ATOM 623 CD GLN A 41 19.443 22.239 16.661 1.00 0.00 C ATOM 624 OE1 GLN A 41 20.388 21.872 17.361 1.00 0.00 O ATOM 625 NE2 GLN A 41 19.608 22.731 15.438 1.00 0.00 N ATOM 0 H GLN A 41 17.378 20.208 19.445 1.00 0.00 H new ATOM 0 HA GLN A 41 19.667 22.087 19.550 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.797 22.745 18.820 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.221 23.738 18.584 1.00 0.00 H new ATOM 0 HG2 GLN A 41 17.699 21.106 17.159 1.00 0.00 H new ATOM 0 HG3 GLN A 41 17.359 22.687 16.486 1.00 0.00 H new ATOM 0 HE21 GLN A 41 18.797 23.023 14.892 1.00 0.00 H new ATOM 0 HE22 GLN A 41 20.545 22.816 15.045 1.00 0.00 H new ATOM 634 N ASP A 42 18.205 23.655 21.273 1.00 0.00 N ATOM 635 CA ASP A 42 17.804 24.211 22.560 1.00 0.00 C ATOM 636 C ASP A 42 18.630 23.609 23.693 1.00 0.00 C ATOM 637 O ASP A 42 18.184 23.552 24.838 1.00 0.00 O ATOM 638 CB ASP A 42 16.316 23.958 22.808 1.00 0.00 C ATOM 639 CG ASP A 42 15.436 25.017 22.173 1.00 0.00 C ATOM 640 OD1 ASP A 42 15.974 25.880 21.449 1.00 0.00 O ATOM 641 OD2 ASP A 42 14.208 24.981 22.400 1.00 0.00 O ATOM 0 H ASP A 42 18.526 24.348 20.597 1.00 0.00 H new ATOM 0 HA ASP A 42 17.983 25.286 22.535 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.046 22.979 22.412 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.129 23.930 23.881 1.00 0.00 H new ATOM 646 N GLY A 43 19.837 23.159 23.363 1.00 0.00 N ATOM 647 CA GLY A 43 20.706 22.566 24.363 1.00 0.00 C ATOM 648 C GLY A 43 20.022 21.462 25.145 1.00 0.00 C ATOM 649 O GLY A 43 20.350 21.219 26.306 1.00 0.00 O ATOM 0 H GLY A 43 20.228 23.194 22.422 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.595 22.165 23.876 1.00 0.00 H new ATOM 0 HA3 GLY A 43 21.043 23.340 25.052 1.00 0.00 H new ATOM 653 N ILE A 44 19.066 20.793 24.507 1.00 0.00 N ATOM 654 CA ILE A 44 18.334 19.709 25.151 1.00 0.00 C ATOM 655 C ILE A 44 19.110 18.399 25.072 1.00 0.00 C ATOM 656 O ILE A 44 19.832 18.151 24.107 1.00 0.00 O ATOM 657 CB ILE A 44 16.947 19.511 24.512 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.186 20.838 24.470 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.155 18.464 25.281 1.00 0.00 C ATOM 660 CD1 ILE A 44 15.872 21.398 25.840 1.00 0.00 C ATOM 0 H ILE A 44 18.781 20.983 23.546 1.00 0.00 H new ATOM 0 HA ILE A 44 18.207 19.990 26.196 1.00 0.00 H new ATOM 0 HB ILE A 44 17.081 19.159 23.489 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.775 21.568 23.914 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.254 20.696 23.922 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.177 18.335 24.818 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.693 17.516 25.264 1.00 0.00 H new ATOM 0 HG23 ILE A 44 16.027 18.790 26.313 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.332 22.339 25.733 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.257 20.687 26.391 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.801 21.572 26.383 1.00 0.00 H new ATOM 672 N GLU A 45 18.953 17.563 26.094 1.00 0.00 N ATOM 673 CA GLU A 45 19.639 16.277 26.139 1.00 0.00 C ATOM 674 C GLU A 45 18.636 15.126 26.161 1.00 0.00 C ATOM 675 O GLU A 45 17.727 15.096 26.992 1.00 0.00 O ATOM 676 CB GLU A 45 20.546 16.200 27.369 1.00 0.00 C ATOM 677 CG GLU A 45 21.254 14.865 27.521 1.00 0.00 C ATOM 678 CD GLU A 45 22.182 14.561 26.360 1.00 0.00 C ATOM 679 OE1 GLU A 45 23.282 15.149 26.311 1.00 0.00 O ATOM 680 OE2 GLU A 45 21.807 13.735 25.502 1.00 0.00 O ATOM 0 H GLU A 45 18.358 17.753 26.900 1.00 0.00 H new ATOM 0 HA GLU A 45 20.249 16.188 25.240 1.00 0.00 H new ATOM 0 HB2 GLU A 45 21.292 16.993 27.310 1.00 0.00 H new ATOM 0 HB3 GLU A 45 19.950 16.389 28.262 1.00 0.00 H new ATOM 0 HG2 GLU A 45 21.827 14.865 28.448 1.00 0.00 H new ATOM 0 HG3 GLU A 45 20.511 14.072 27.605 1.00 0.00 H new ATOM 687 N LEU A 46 18.808 14.182 25.243 1.00 0.00 N ATOM 688 CA LEU A 46 17.919 13.029 25.155 1.00 0.00 C ATOM 689 C LEU A 46 18.515 11.825 25.878 1.00 0.00 C ATOM 690 O LEU A 46 19.685 11.493 25.689 1.00 0.00 O ATOM 691 CB LEU A 46 17.651 12.677 23.691 1.00 0.00 C ATOM 692 CG LEU A 46 17.494 13.860 22.734 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.482 13.382 21.291 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.224 14.637 23.051 1.00 0.00 C ATOM 0 H LEU A 46 19.555 14.192 24.549 1.00 0.00 H new ATOM 0 HA LEU A 46 16.977 13.290 25.638 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.469 12.052 23.333 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.744 12.074 23.643 1.00 0.00 H new ATOM 0 HG LEU A 46 18.347 14.526 22.867 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.370 14.238 20.625 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.419 12.870 21.069 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.649 12.695 21.142 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.128 15.475 22.361 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.360 13.980 22.947 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.273 15.013 24.073 1.00 0.00 H new ATOM 706 N GLN A 47 17.702 11.175 26.704 1.00 0.00 N ATOM 707 CA GLN A 47 18.149 10.007 27.454 1.00 0.00 C ATOM 708 C GLN A 47 17.279 8.794 27.142 1.00 0.00 C ATOM 709 O GLN A 47 16.394 8.856 26.289 1.00 0.00 O ATOM 710 CB GLN A 47 18.121 10.298 28.955 1.00 0.00 C ATOM 711 CG GLN A 47 18.901 11.542 29.349 1.00 0.00 C ATOM 712 CD GLN A 47 19.086 11.664 30.849 1.00 0.00 C ATOM 713 OE1 GLN A 47 19.216 10.662 31.554 1.00 0.00 O ATOM 714 NE2 GLN A 47 19.099 12.895 31.346 1.00 0.00 N ATOM 0 H GLN A 47 16.730 11.437 26.871 1.00 0.00 H new ATOM 0 HA GLN A 47 19.173 9.783 27.154 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.085 10.412 29.275 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.527 9.440 29.491 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.878 11.521 28.867 1.00 0.00 H new ATOM 0 HG3 GLN A 47 18.381 12.425 28.978 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.988 13.697 30.725 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.220 13.039 32.348 1.00 0.00 H new ATOM 723 N ALA A 48 17.537 7.692 27.838 1.00 0.00 N ATOM 724 CA ALA A 48 16.777 6.465 27.636 1.00 0.00 C ATOM 725 C ALA A 48 15.357 6.605 28.176 1.00 0.00 C ATOM 726 O ALA A 48 15.156 6.904 29.352 1.00 0.00 O ATOM 727 CB ALA A 48 17.483 5.292 28.300 1.00 0.00 C ATOM 0 H ALA A 48 18.267 7.624 28.547 1.00 0.00 H new ATOM 0 HA ALA A 48 16.714 6.277 26.564 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.904 4.382 28.141 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.475 5.171 27.866 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.576 5.481 29.369 1.00 0.00 H new ATOM 733 N GLY A 49 14.375 6.386 27.307 1.00 0.00 N ATOM 734 CA GLY A 49 12.986 6.493 27.715 1.00 0.00 C ATOM 735 C GLY A 49 12.443 7.900 27.561 1.00 0.00 C ATOM 736 O GLY A 49 11.397 8.233 28.119 1.00 0.00 O ATOM 0 H GLY A 49 14.516 6.136 26.328 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.382 5.807 27.121 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.891 6.182 28.755 1.00 0.00 H new ATOM 740 N ASP A 50 13.156 8.728 26.806 1.00 0.00 N ATOM 741 CA ASP A 50 12.740 10.107 26.581 1.00 0.00 C ATOM 742 C ASP A 50 12.068 10.258 25.220 1.00 0.00 C ATOM 743 O ASP A 50 12.707 10.094 24.181 1.00 0.00 O ATOM 744 CB ASP A 50 13.943 11.047 26.677 1.00 0.00 C ATOM 745 CG ASP A 50 14.329 11.349 28.111 1.00 0.00 C ATOM 746 OD1 ASP A 50 14.196 10.447 28.964 1.00 0.00 O ATOM 747 OD2 ASP A 50 14.765 12.488 28.381 1.00 0.00 O ATOM 0 H ASP A 50 14.025 8.468 26.339 1.00 0.00 H new ATOM 0 HA ASP A 50 12.018 10.373 27.353 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.793 10.599 26.162 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.714 11.980 26.162 1.00 0.00 H new ATOM 752 N GLU A 51 10.776 10.570 25.234 1.00 0.00 N ATOM 753 CA GLU A 51 10.018 10.740 24.000 1.00 0.00 C ATOM 754 C GLU A 51 10.374 12.059 23.321 1.00 0.00 C ATOM 755 O GLU A 51 10.281 13.127 23.926 1.00 0.00 O ATOM 756 CB GLU A 51 8.516 10.690 24.287 1.00 0.00 C ATOM 757 CG GLU A 51 7.693 10.153 23.128 1.00 0.00 C ATOM 758 CD GLU A 51 6.221 10.024 23.469 1.00 0.00 C ATOM 759 OE1 GLU A 51 5.728 10.832 24.284 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.562 9.115 22.922 1.00 0.00 O ATOM 0 H GLU A 51 10.233 10.710 26.086 1.00 0.00 H new ATOM 0 HA GLU A 51 10.279 9.923 23.327 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.343 10.067 25.164 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.168 11.693 24.535 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.807 10.815 22.269 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.081 9.178 22.833 1.00 0.00 H new ATOM 767 N VAL A 52 10.782 11.977 22.059 1.00 0.00 N ATOM 768 CA VAL A 52 11.152 13.163 21.296 1.00 0.00 C ATOM 769 C VAL A 52 10.393 13.225 19.975 1.00 0.00 C ATOM 770 O VAL A 52 10.001 12.197 19.425 1.00 0.00 O ATOM 771 CB VAL A 52 12.665 13.198 21.009 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.455 13.207 22.308 1.00 0.00 C ATOM 773 CG2 VAL A 52 13.068 12.017 20.138 1.00 0.00 C ATOM 0 H VAL A 52 10.865 11.101 21.543 1.00 0.00 H new ATOM 0 HA VAL A 52 10.886 14.027 21.906 1.00 0.00 H new ATOM 0 HB VAL A 52 12.894 14.116 20.467 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.522 13.232 22.085 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.186 14.087 22.892 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.225 12.308 22.880 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.140 12.057 19.945 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.826 11.087 20.652 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.527 12.061 19.193 1.00 0.00 H new ATOM 783 N GLU A 53 10.191 14.439 19.471 1.00 0.00 N ATOM 784 CA GLU A 53 9.479 14.635 18.214 1.00 0.00 C ATOM 785 C GLU A 53 10.430 15.106 17.118 1.00 0.00 C ATOM 786 O GLU A 53 11.023 16.181 17.215 1.00 0.00 O ATOM 787 CB GLU A 53 8.348 15.650 18.395 1.00 0.00 C ATOM 788 CG GLU A 53 7.507 15.854 17.146 1.00 0.00 C ATOM 789 CD GLU A 53 6.153 16.464 17.448 1.00 0.00 C ATOM 790 OE1 GLU A 53 6.116 17.542 18.079 1.00 0.00 O ATOM 791 OE2 GLU A 53 5.130 15.866 17.055 1.00 0.00 O ATOM 0 H GLU A 53 10.510 15.301 19.914 1.00 0.00 H new ATOM 0 HA GLU A 53 9.053 13.678 17.914 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.702 15.320 19.208 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.775 16.607 18.696 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.045 16.499 16.452 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.366 14.895 16.647 1.00 0.00 H new ATOM 798 N PHE A 54 10.570 14.295 16.075 1.00 0.00 N ATOM 799 CA PHE A 54 11.450 14.627 14.960 1.00 0.00 C ATOM 800 C PHE A 54 10.706 14.525 13.631 1.00 0.00 C ATOM 801 O PHE A 54 9.631 13.930 13.553 1.00 0.00 O ATOM 802 CB PHE A 54 12.667 13.700 14.949 1.00 0.00 C ATOM 803 CG PHE A 54 12.312 12.244 15.044 1.00 0.00 C ATOM 804 CD1 PHE A 54 11.837 11.560 13.937 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.454 11.559 16.240 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.509 10.220 14.021 1.00 0.00 C ATOM 807 CE2 PHE A 54 12.128 10.219 16.331 1.00 0.00 C ATOM 808 CZ PHE A 54 11.656 9.548 15.219 1.00 0.00 C ATOM 0 H PHE A 54 10.085 13.403 15.978 1.00 0.00 H new ATOM 0 HA PHE A 54 11.787 15.655 15.090 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.234 13.869 14.033 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.321 13.962 15.781 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.722 12.080 12.997 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.824 12.078 17.112 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.138 9.699 13.151 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.242 9.697 17.270 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.403 8.500 15.286 1.00 0.00 H new ATOM 818 N SER A 55 11.287 15.109 12.588 1.00 0.00 N ATOM 819 CA SER A 55 10.679 15.088 11.263 1.00 0.00 C ATOM 820 C SER A 55 11.400 14.101 10.350 1.00 0.00 C ATOM 821 O SER A 55 12.622 14.149 10.207 1.00 0.00 O ATOM 822 CB SER A 55 10.706 16.487 10.644 1.00 0.00 C ATOM 823 OG SER A 55 12.024 16.857 10.278 1.00 0.00 O ATOM 0 H SER A 55 12.178 15.603 12.635 1.00 0.00 H new ATOM 0 HA SER A 55 9.643 14.766 11.371 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.061 16.512 9.766 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.306 17.210 11.354 1.00 0.00 H new ATOM 0 HG SER A 55 12.573 16.052 10.176 1.00 0.00 H new ATOM 829 N VAL A 56 10.634 13.206 9.734 1.00 0.00 N ATOM 830 CA VAL A 56 11.197 12.208 8.834 1.00 0.00 C ATOM 831 C VAL A 56 11.681 12.848 7.537 1.00 0.00 C ATOM 832 O VAL A 56 10.882 13.347 6.744 1.00 0.00 O ATOM 833 CB VAL A 56 10.170 11.110 8.500 1.00 0.00 C ATOM 834 CG1 VAL A 56 10.779 10.076 7.564 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.660 10.453 9.773 1.00 0.00 C ATOM 0 H VAL A 56 9.621 13.152 9.842 1.00 0.00 H new ATOM 0 HA VAL A 56 12.044 11.757 9.351 1.00 0.00 H new ATOM 0 HB VAL A 56 9.323 11.571 7.992 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.039 9.308 7.339 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.091 10.561 6.639 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.644 9.617 8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.935 9.680 9.518 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.495 10.004 10.311 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.183 11.203 10.404 1.00 0.00 H new ATOM 845 N ILE A 57 12.993 12.829 7.328 1.00 0.00 N ATOM 846 CA ILE A 57 13.583 13.406 6.126 1.00 0.00 C ATOM 847 C ILE A 57 14.211 12.327 5.250 1.00 0.00 C ATOM 848 O ILE A 57 15.046 11.547 5.709 1.00 0.00 O ATOM 849 CB ILE A 57 14.653 14.457 6.474 1.00 0.00 C ATOM 850 CG1 ILE A 57 14.096 15.473 7.472 1.00 0.00 C ATOM 851 CG2 ILE A 57 15.138 15.156 5.212 1.00 0.00 C ATOM 852 CD1 ILE A 57 12.890 16.228 6.957 1.00 0.00 C ATOM 0 H ILE A 57 13.668 12.421 7.975 1.00 0.00 H new ATOM 0 HA ILE A 57 12.775 13.890 5.578 1.00 0.00 H new ATOM 0 HB ILE A 57 15.501 13.952 6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.825 14.955 8.392 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.879 16.187 7.727 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.894 15.896 5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.569 14.421 4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.298 15.652 4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.549 16.931 7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.161 16.774 6.054 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.090 15.524 6.729 1.00 0.00 H new ATOM 864 N LEU A 58 13.805 12.290 3.986 1.00 0.00 N ATOM 865 CA LEU A 58 14.329 11.308 3.043 1.00 0.00 C ATOM 866 C LEU A 58 15.360 11.941 2.114 1.00 0.00 C ATOM 867 O LEU A 58 15.122 13.001 1.537 1.00 0.00 O ATOM 868 CB LEU A 58 13.190 10.702 2.221 1.00 0.00 C ATOM 869 CG LEU A 58 13.607 9.807 1.053 1.00 0.00 C ATOM 870 CD1 LEU A 58 14.377 8.596 1.556 1.00 0.00 C ATOM 871 CD2 LEU A 58 12.388 9.373 0.253 1.00 0.00 C ATOM 0 H LEU A 58 13.115 12.928 3.590 1.00 0.00 H new ATOM 0 HA LEU A 58 14.817 10.518 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.556 10.120 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.579 11.515 1.829 1.00 0.00 H new ATOM 0 HG LEU A 58 14.262 10.380 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.665 7.971 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.271 8.927 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.747 8.021 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.703 8.737 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.708 8.818 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.878 10.253 -0.140 1.00 0.00 H new ATOM 883 N ASN A 59 16.506 11.283 1.973 1.00 0.00 N ATOM 884 CA ASN A 59 17.573 11.781 1.112 1.00 0.00 C ATOM 885 C ASN A 59 17.527 11.108 -0.256 1.00 0.00 C ATOM 886 O ASN A 59 17.652 9.888 -0.363 1.00 0.00 O ATOM 887 CB ASN A 59 18.936 11.542 1.765 1.00 0.00 C ATOM 888 CG ASN A 59 19.321 12.653 2.722 1.00 0.00 C ATOM 889 OD1 ASN A 59 18.537 13.042 3.588 1.00 0.00 O ATOM 890 ND2 ASN A 59 20.535 13.171 2.569 1.00 0.00 N ATOM 0 H ASN A 59 16.720 10.404 2.444 1.00 0.00 H new ATOM 0 HA ASN A 59 17.426 12.852 0.975 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.917 10.594 2.302 1.00 0.00 H new ATOM 0 HB3 ASN A 59 19.697 11.454 0.990 1.00 0.00 H new ATOM 0 HD21 ASN A 59 20.850 13.922 3.183 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.152 12.818 1.838 1.00 0.00 H new ATOM 897 N GLN A 60 17.347 11.911 -1.299 1.00 0.00 N ATOM 898 CA GLN A 60 17.284 11.393 -2.661 1.00 0.00 C ATOM 899 C GLN A 60 18.684 11.139 -3.211 1.00 0.00 C ATOM 900 O GLN A 60 18.872 10.299 -4.091 1.00 0.00 O ATOM 901 CB GLN A 60 16.536 12.372 -3.567 1.00 0.00 C ATOM 902 CG GLN A 60 15.032 12.151 -3.592 1.00 0.00 C ATOM 903 CD GLN A 60 14.288 13.282 -4.274 1.00 0.00 C ATOM 904 OE1 GLN A 60 14.861 14.027 -5.069 1.00 0.00 O ATOM 905 NE2 GLN A 60 13.003 13.415 -3.967 1.00 0.00 N ATOM 0 H GLN A 60 17.242 12.923 -1.227 1.00 0.00 H new ATOM 0 HA GLN A 60 16.745 10.446 -2.639 1.00 0.00 H new ATOM 0 HB2 GLN A 60 16.740 13.390 -3.234 1.00 0.00 H new ATOM 0 HB3 GLN A 60 16.925 12.284 -4.582 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.814 11.215 -4.107 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.667 12.045 -2.570 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.568 12.775 -3.302 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.450 14.157 -4.396 1.00 0.00 H new ATOM 914 N ARG A 61 19.662 11.872 -2.688 1.00 0.00 N ATOM 915 CA ARG A 61 21.044 11.727 -3.129 1.00 0.00 C ATOM 916 C ARG A 61 21.639 10.414 -2.629 1.00 0.00 C ATOM 917 O ARG A 61 22.252 9.666 -3.392 1.00 0.00 O ATOM 918 CB ARG A 61 21.886 12.903 -2.631 1.00 0.00 C ATOM 919 CG ARG A 61 23.277 12.958 -3.242 1.00 0.00 C ATOM 920 CD ARG A 61 23.257 13.612 -4.615 1.00 0.00 C ATOM 921 NE ARG A 61 24.544 14.214 -4.953 1.00 0.00 N ATOM 922 CZ ARG A 61 24.874 14.601 -6.180 1.00 0.00 C ATOM 923 NH1 ARG A 61 24.017 14.451 -7.180 1.00 0.00 N ATOM 924 NH2 ARG A 61 26.065 15.141 -6.409 1.00 0.00 N ATOM 0 H ARG A 61 19.523 12.572 -1.959 1.00 0.00 H new ATOM 0 HA ARG A 61 21.053 11.718 -4.219 1.00 0.00 H new ATOM 0 HB2 ARG A 61 21.363 13.833 -2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 61 21.977 12.840 -1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 61 23.943 13.514 -2.583 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.680 11.948 -3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 61 22.996 12.868 -5.367 1.00 0.00 H new ATOM 0 HD3 ARG A 61 22.481 14.377 -4.641 1.00 0.00 H new ATOM 0 HE ARG A 61 25.226 14.344 -4.206 1.00 0.00 H new ATOM 0 HH11 ARG A 61 23.101 14.037 -7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 61 24.274 14.749 -8.121 1.00 0.00 H new ATOM 0 HH21 ARG A 61 26.727 15.259 -5.642 1.00 0.00 H new ATOM 0 HH22 ARG A 61 26.318 15.438 -7.352 1.00 0.00 H new ATOM 938 N THR A 62 21.455 10.139 -1.341 1.00 0.00 N ATOM 939 CA THR A 62 21.975 8.918 -0.739 1.00 0.00 C ATOM 940 C THR A 62 20.944 7.797 -0.792 1.00 0.00 C ATOM 941 O THR A 62 21.209 6.722 -1.328 1.00 0.00 O ATOM 942 CB THR A 62 22.391 9.148 0.727 1.00 0.00 C ATOM 943 OG1 THR A 62 21.385 9.904 1.409 1.00 0.00 O ATOM 944 CG2 THR A 62 23.723 9.880 0.802 1.00 0.00 C ATOM 0 H THR A 62 20.950 10.746 -0.695 1.00 0.00 H new ATOM 0 HA THR A 62 22.852 8.629 -1.318 1.00 0.00 H new ATOM 0 HB THR A 62 22.501 8.176 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 62 21.802 10.440 2.115 1.00 0.00 H new ATOM 0 HG21 THR A 62 23.997 10.031 1.846 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.492 9.287 0.308 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.635 10.847 0.306 1.00 0.00 H new ATOM 952 N GLY A 63 19.766 8.055 -0.232 1.00 0.00 N ATOM 953 CA GLY A 63 18.712 7.057 -0.228 1.00 0.00 C ATOM 954 C GLY A 63 18.454 6.492 1.155 1.00 0.00 C ATOM 955 O GLY A 63 17.992 5.360 1.295 1.00 0.00 O ATOM 0 H GLY A 63 19.523 8.937 0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.794 7.501 -0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.981 6.246 -0.904 1.00 0.00 H new ATOM 959 N LYS A 64 18.756 7.281 2.180 1.00 0.00 N ATOM 960 CA LYS A 64 18.555 6.854 3.560 1.00 0.00 C ATOM 961 C LYS A 64 17.696 7.859 4.321 1.00 0.00 C ATOM 962 O LYS A 64 17.353 8.919 3.797 1.00 0.00 O ATOM 963 CB LYS A 64 19.903 6.683 4.264 1.00 0.00 C ATOM 964 CG LYS A 64 20.704 7.970 4.365 1.00 0.00 C ATOM 965 CD LYS A 64 21.877 7.823 5.320 1.00 0.00 C ATOM 966 CE LYS A 64 22.354 9.174 5.829 1.00 0.00 C ATOM 967 NZ LYS A 64 23.131 9.914 4.797 1.00 0.00 N ATOM 0 H LYS A 64 19.141 8.220 2.081 1.00 0.00 H new ATOM 0 HA LYS A 64 18.035 5.896 3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 64 19.733 6.291 5.267 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.492 5.939 3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 64 21.071 8.250 3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.056 8.777 4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 64 21.585 7.198 6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.697 7.313 4.815 1.00 0.00 H new ATOM 0 HE2 LYS A 64 21.494 9.771 6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.972 9.030 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 23.438 10.829 5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 23.965 9.356 4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 22.533 10.074 3.961 1.00 0.00 H new ATOM 981 N CYS A 65 17.355 7.520 5.559 1.00 0.00 N ATOM 982 CA CYS A 65 16.537 8.394 6.393 1.00 0.00 C ATOM 983 C CYS A 65 17.269 8.759 7.680 1.00 0.00 C ATOM 984 O CYS A 65 18.202 8.070 8.092 1.00 0.00 O ATOM 985 CB CYS A 65 15.206 7.718 6.724 1.00 0.00 C ATOM 986 SG CYS A 65 14.355 7.021 5.288 1.00 0.00 S ATOM 0 H CYS A 65 17.632 6.647 6.008 1.00 0.00 H new ATOM 0 HA CYS A 65 16.343 9.310 5.835 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.385 6.923 7.448 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.551 8.445 7.204 1.00 0.00 H new ATOM 0 HG CYS A 65 13.241 6.469 5.669 1.00 0.00 H new ATOM 992 N SER A 66 16.840 9.848 8.310 1.00 0.00 N ATOM 993 CA SER A 66 17.458 10.309 9.548 1.00 0.00 C ATOM 994 C SER A 66 16.567 11.326 10.255 1.00 0.00 C ATOM 995 O SER A 66 15.506 11.694 9.751 1.00 0.00 O ATOM 996 CB SER A 66 18.828 10.928 9.259 1.00 0.00 C ATOM 997 OG SER A 66 18.807 11.674 8.055 1.00 0.00 O ATOM 0 H SER A 66 16.067 10.428 7.983 1.00 0.00 H new ATOM 0 HA SER A 66 17.587 9.448 10.203 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.120 11.575 10.086 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.579 10.141 9.190 1.00 0.00 H new ATOM 0 HG SER A 66 19.693 12.060 7.894 1.00 0.00 H new ATOM 1003 N ALA A 67 17.007 11.776 11.425 1.00 0.00 N ATOM 1004 CA ALA A 67 16.251 12.751 12.201 1.00 0.00 C ATOM 1005 C ALA A 67 16.852 14.146 12.064 1.00 0.00 C ATOM 1006 O ALA A 67 17.977 14.303 11.589 1.00 0.00 O ATOM 1007 CB ALA A 67 16.203 12.337 13.665 1.00 0.00 C ATOM 0 H ALA A 67 17.883 11.481 11.856 1.00 0.00 H new ATOM 0 HA ALA A 67 15.234 12.781 11.809 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.635 13.074 14.233 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.722 11.363 13.752 1.00 0.00 H new ATOM 0 HB3 ALA A 67 17.217 12.277 14.060 1.00 0.00 H new ATOM 1013 N CYS A 68 16.095 15.154 12.481 1.00 0.00 N ATOM 1014 CA CYS A 68 16.552 16.537 12.402 1.00 0.00 C ATOM 1015 C CYS A 68 15.743 17.431 13.336 1.00 0.00 C ATOM 1016 O CYS A 68 14.547 17.220 13.532 1.00 0.00 O ATOM 1017 CB CYS A 68 16.445 17.051 10.966 1.00 0.00 C ATOM 1018 SG CYS A 68 17.686 18.293 10.532 1.00 0.00 S ATOM 0 H CYS A 68 15.162 15.040 12.877 1.00 0.00 H new ATOM 0 HA CYS A 68 17.596 16.566 12.714 1.00 0.00 H new ATOM 0 HB2 CYS A 68 16.536 16.207 10.282 1.00 0.00 H new ATOM 0 HB3 CYS A 68 15.453 17.477 10.817 1.00 0.00 H new ATOM 0 HG CYS A 68 17.515 18.664 9.298 1.00 0.00 H new ATOM 1024 N ASN A 69 16.405 18.430 13.912 1.00 0.00 N ATOM 1025 CA ASN A 69 15.748 19.355 14.828 1.00 0.00 C ATOM 1026 C ASN A 69 15.006 18.599 15.925 1.00 0.00 C ATOM 1027 O ASN A 69 13.902 18.977 16.318 1.00 0.00 O ATOM 1028 CB ASN A 69 14.774 20.255 14.065 1.00 0.00 C ATOM 1029 CG ASN A 69 15.377 20.810 12.789 1.00 0.00 C ATOM 1030 OD1 ASN A 69 14.810 20.664 11.706 1.00 0.00 O ATOM 1031 ND2 ASN A 69 16.534 21.450 12.912 1.00 0.00 N ATOM 0 H ASN A 69 17.396 18.619 13.760 1.00 0.00 H new ATOM 0 HA ASN A 69 16.516 19.973 15.293 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.875 19.689 13.822 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.467 21.080 14.707 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.989 21.844 12.089 1.00 0.00 H new ATOM 0 HD22 ASN A 69 16.968 21.547 13.830 1.00 0.00 H new ATOM 1038 N VAL A 70 15.619 17.527 16.417 1.00 0.00 N ATOM 1039 CA VAL A 70 15.019 16.718 17.471 1.00 0.00 C ATOM 1040 C VAL A 70 14.663 17.571 18.683 1.00 0.00 C ATOM 1041 O VAL A 70 15.513 18.270 19.234 1.00 0.00 O ATOM 1042 CB VAL A 70 15.961 15.583 17.914 1.00 0.00 C ATOM 1043 CG1 VAL A 70 15.267 14.673 18.915 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.446 14.793 16.708 1.00 0.00 C ATOM 0 H VAL A 70 16.532 17.199 16.102 1.00 0.00 H new ATOM 0 HA VAL A 70 14.109 16.283 17.057 1.00 0.00 H new ATOM 0 HB VAL A 70 16.829 16.024 18.403 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.948 13.877 19.216 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.975 15.252 19.791 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.380 14.237 18.456 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.111 13.995 17.039 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.591 14.361 16.188 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.985 15.456 16.031 1.00 0.00 H new ATOM 1054 N TRP A 71 13.401 17.508 19.094 1.00 0.00 N ATOM 1055 CA TRP A 71 12.932 18.274 20.243 1.00 0.00 C ATOM 1056 C TRP A 71 12.289 17.361 21.281 1.00 0.00 C ATOM 1057 O TRP A 71 11.369 16.605 20.970 1.00 0.00 O ATOM 1058 CB TRP A 71 11.933 19.342 19.795 1.00 0.00 C ATOM 1059 CG TRP A 71 12.577 20.650 19.447 1.00 0.00 C ATOM 1060 CD1 TRP A 71 13.730 20.832 18.738 1.00 0.00 C ATOM 1061 CD2 TRP A 71 12.105 21.957 19.793 1.00 0.00 C ATOM 1062 NE1 TRP A 71 14.003 22.174 18.623 1.00 0.00 N ATOM 1063 CE2 TRP A 71 13.021 22.885 19.261 1.00 0.00 C ATOM 1064 CE3 TRP A 71 10.997 22.433 20.498 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 12.862 24.259 19.415 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 10.840 23.798 20.650 1.00 0.00 C ATOM 1067 CH2 TRP A 71 11.768 24.698 20.110 1.00 0.00 C ATOM 0 H TRP A 71 12.685 16.934 18.649 1.00 0.00 H new ATOM 0 HA TRP A 71 13.793 18.761 20.700 1.00 0.00 H new ATOM 0 HB2 TRP A 71 11.383 18.974 18.929 1.00 0.00 H new ATOM 0 HB3 TRP A 71 11.205 19.504 20.590 1.00 0.00 H new ATOM 0 HD1 TRP A 71 14.337 20.039 18.328 1.00 0.00 H new ATOM 0 HE1 TRP A 71 14.807 22.576 18.141 1.00 0.00 H new ATOM 0 HE3 TRP A 71 10.276 21.747 20.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 13.577 24.954 19.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.988 24.177 21.194 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.617 25.759 20.245 1.00 0.00 H new ATOM 1078 N ARG A 72 12.779 17.437 22.514 1.00 0.00 N ATOM 1079 CA ARG A 72 12.252 16.616 23.597 1.00 0.00 C ATOM 1080 C ARG A 72 10.789 16.952 23.872 1.00 0.00 C ATOM 1081 O ARG A 72 10.416 18.122 23.963 1.00 0.00 O ATOM 1082 CB ARG A 72 13.080 16.818 24.868 1.00 0.00 C ATOM 1083 CG ARG A 72 13.067 15.617 25.800 1.00 0.00 C ATOM 1084 CD ARG A 72 13.459 16.008 27.216 1.00 0.00 C ATOM 1085 NE ARG A 72 12.362 16.659 27.927 1.00 0.00 N ATOM 1086 CZ ARG A 72 12.461 17.118 29.170 1.00 0.00 C ATOM 1087 NH1 ARG A 72 13.602 16.998 29.835 1.00 0.00 N ATOM 1088 NH2 ARG A 72 11.418 17.699 29.749 1.00 0.00 N ATOM 0 H ARG A 72 13.540 18.059 22.788 1.00 0.00 H new ATOM 0 HA ARG A 72 12.316 15.572 23.292 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.110 17.040 24.589 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.701 17.688 25.404 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.073 15.171 25.806 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.755 14.858 25.427 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.770 15.119 27.765 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.318 16.678 27.182 1.00 0.00 H new ATOM 0 HE ARG A 72 11.471 16.767 27.443 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.406 16.553 29.392 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.676 17.351 30.789 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.539 17.794 29.240 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.495 18.051 30.703 1.00 0.00 H new ATOM 1102 N VAL A 73 9.964 15.918 24.001 1.00 0.00 N ATOM 1103 CA VAL A 73 8.542 16.103 24.265 1.00 0.00 C ATOM 1104 C VAL A 73 8.203 15.762 25.712 1.00 0.00 C ATOM 1105 O VAL A 73 7.521 16.524 26.397 1.00 0.00 O ATOM 1106 CB VAL A 73 7.679 15.236 23.329 1.00 0.00 C ATOM 1107 CG1 VAL A 73 6.207 15.583 23.487 1.00 0.00 C ATOM 1108 CG2 VAL A 73 8.124 15.407 21.885 1.00 0.00 C ATOM 0 H VAL A 73 10.256 14.943 23.927 1.00 0.00 H new ATOM 0 HA VAL A 73 8.320 17.154 24.081 1.00 0.00 H new ATOM 0 HB VAL A 73 7.812 14.190 23.605 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.613 14.961 22.818 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.900 15.404 24.517 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.052 16.633 23.239 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.504 14.787 21.237 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.021 16.452 21.594 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.166 15.104 21.787 1.00 0.00 H new ATOM 1118 N SER A 74 8.684 14.611 26.171 1.00 0.00 N ATOM 1119 CA SER A 74 8.429 14.166 27.536 1.00 0.00 C ATOM 1120 C SER A 74 9.732 13.793 28.238 1.00 0.00 C ATOM 1121 O SER A 74 10.685 13.342 27.603 1.00 0.00 O ATOM 1122 CB SER A 74 7.476 12.970 27.536 1.00 0.00 C ATOM 1123 OG SER A 74 8.175 11.761 27.297 1.00 0.00 O ATOM 0 H SER A 74 9.252 13.970 25.618 1.00 0.00 H new ATOM 0 HA SER A 74 7.966 14.990 28.080 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.960 12.912 28.494 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.712 13.110 26.771 1.00 0.00 H new ATOM 0 HG SER A 74 7.544 11.011 27.304 1.00 0.00 H new