USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=13 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 19 GLN :FLIP amide:sc= 0.922 F(o=-0.1,f=1.1) USER MOD Set 1.2: A 36 HIS : no HE2:sc= 0.21 K(o=1.1,f=-2) USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= 0.0219 USER MOD Set 2.2: A 24 ASN : amide:sc= -0.316 K(o=-0.29,f=-2.8!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -30:sc= -0.994 USER MOD Single : A 30 SER OG : rot -104:sc= 1.18 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -157:sc= -0.0762 (180deg=-0.383) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -2.82 K(o=-2.8,f=-7.4!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.4!) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 62 THR OG1 : rot -170:sc= -0.108 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 24:sc= -0.287 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= -0.0934 X(o=-0.093,f=-0.093) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 4.591 14.958 11.693 1.00 0.00 N ATOM 67 CA LEU A 8 5.580 14.734 12.741 1.00 0.00 C ATOM 68 C LEU A 8 5.382 13.370 13.394 1.00 0.00 C ATOM 69 O LEU A 8 4.304 12.782 13.311 1.00 0.00 O ATOM 70 CB LEU A 8 5.491 15.836 13.798 1.00 0.00 C ATOM 71 CG LEU A 8 5.844 17.247 13.328 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.518 18.267 14.408 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.314 17.329 12.941 1.00 0.00 C ATOM 0 HA LEU A 8 6.569 14.757 12.284 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.476 15.850 14.195 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.152 15.574 14.624 1.00 0.00 H new ATOM 0 HG LEU A 8 5.244 17.476 12.447 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.776 19.266 14.055 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.453 18.227 14.637 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.091 18.041 15.307 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.547 18.341 12.609 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.932 17.079 13.803 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.517 16.626 12.133 1.00 0.00 H new ATOM 85 N ARG A 9 6.429 12.874 14.045 1.00 0.00 N ATOM 86 CA ARG A 9 6.370 11.579 14.714 1.00 0.00 C ATOM 87 C ARG A 9 7.017 11.650 16.093 1.00 0.00 C ATOM 88 O ARG A 9 7.934 12.439 16.320 1.00 0.00 O ATOM 89 CB ARG A 9 7.065 10.512 13.866 1.00 0.00 C ATOM 90 CG ARG A 9 6.587 10.473 12.424 1.00 0.00 C ATOM 91 CD ARG A 9 5.136 10.026 12.329 1.00 0.00 C ATOM 92 NE ARG A 9 4.487 10.529 11.122 1.00 0.00 N ATOM 93 CZ ARG A 9 4.750 10.074 9.902 1.00 0.00 C ATOM 94 NH1 ARG A 9 5.645 9.111 9.729 1.00 0.00 N ATOM 95 NH2 ARG A 9 4.118 10.581 8.852 1.00 0.00 N ATOM 0 H ARG A 9 7.328 13.349 14.124 1.00 0.00 H new ATOM 0 HA ARG A 9 5.321 11.309 14.838 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.140 10.693 13.879 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.901 9.535 14.321 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.694 11.461 11.977 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.216 9.794 11.849 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.091 8.937 12.338 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.591 10.375 13.206 1.00 0.00 H new ATOM 0 HE ARG A 9 3.794 11.270 11.221 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.133 8.718 10.534 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.845 8.763 8.791 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.429 11.322 8.980 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.321 10.230 7.916 1.00 0.00 H new ATOM 109 N ARG A 10 6.533 10.820 17.012 1.00 0.00 N ATOM 110 CA ARG A 10 7.063 10.789 18.369 1.00 0.00 C ATOM 111 C ARG A 10 7.516 9.381 18.745 1.00 0.00 C ATOM 112 O ARG A 10 6.893 8.394 18.355 1.00 0.00 O ATOM 113 CB ARG A 10 6.008 11.279 19.363 1.00 0.00 C ATOM 114 CG ARG A 10 5.817 12.787 19.354 1.00 0.00 C ATOM 115 CD ARG A 10 4.515 13.188 20.031 1.00 0.00 C ATOM 116 NE ARG A 10 3.354 12.918 19.187 1.00 0.00 N ATOM 117 CZ ARG A 10 2.101 13.128 19.572 1.00 0.00 C ATOM 118 NH1 ARG A 10 1.847 13.609 20.782 1.00 0.00 N ATOM 119 NH2 ARG A 10 1.097 12.858 18.747 1.00 0.00 N ATOM 0 H ARG A 10 5.774 10.160 16.841 1.00 0.00 H new ATOM 0 HA ARG A 10 7.927 11.453 18.409 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.056 10.799 19.135 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.292 10.963 20.367 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.655 13.264 19.863 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.820 13.149 18.326 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.413 12.646 20.971 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.546 14.250 20.276 1.00 0.00 H new ATOM 0 HE ARG A 10 3.515 12.548 18.250 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.615 13.818 21.419 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.883 13.769 21.075 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.288 12.489 17.816 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.135 13.020 19.044 1.00 0.00 H new ATOM 133 N ALA A 11 8.603 9.298 19.504 1.00 0.00 N ATOM 134 CA ALA A 11 9.138 8.012 19.933 1.00 0.00 C ATOM 135 C ALA A 11 10.153 8.187 21.058 1.00 0.00 C ATOM 136 O ALA A 11 10.804 9.227 21.165 1.00 0.00 O ATOM 137 CB ALA A 11 9.772 7.284 18.757 1.00 0.00 C ATOM 0 H ALA A 11 9.131 10.106 19.835 1.00 0.00 H new ATOM 0 HA ALA A 11 8.311 7.412 20.314 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.167 6.325 19.093 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.021 7.117 17.985 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.583 7.888 18.350 1.00 0.00 H new ATOM 143 N THR A 12 10.283 7.163 21.896 1.00 0.00 N ATOM 144 CA THR A 12 11.217 7.205 23.014 1.00 0.00 C ATOM 145 C THR A 12 12.569 6.621 22.623 1.00 0.00 C ATOM 146 O THR A 12 12.646 5.688 21.824 1.00 0.00 O ATOM 147 CB THR A 12 10.671 6.435 24.231 1.00 0.00 C ATOM 148 OG1 THR A 12 10.056 5.214 23.803 1.00 0.00 O ATOM 149 CG2 THR A 12 9.661 7.277 24.996 1.00 0.00 C ATOM 0 H THR A 12 9.753 6.295 21.821 1.00 0.00 H new ATOM 0 HA THR A 12 11.341 8.254 23.283 1.00 0.00 H new ATOM 0 HB THR A 12 11.506 6.208 24.894 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.713 4.730 24.583 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.290 6.712 25.851 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.140 8.191 25.346 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.829 7.532 24.340 1.00 0.00 H new ATOM 157 N VAL A 13 13.635 7.176 23.191 1.00 0.00 N ATOM 158 CA VAL A 13 14.986 6.709 22.903 1.00 0.00 C ATOM 159 C VAL A 13 15.322 5.463 23.715 1.00 0.00 C ATOM 160 O VAL A 13 14.827 5.285 24.828 1.00 0.00 O ATOM 161 CB VAL A 13 16.032 7.799 23.199 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.410 7.360 22.727 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.630 9.114 22.548 1.00 0.00 C ATOM 0 H VAL A 13 13.589 7.950 23.854 1.00 0.00 H new ATOM 0 HA VAL A 13 15.017 6.466 21.841 1.00 0.00 H new ATOM 0 HB VAL A 13 16.076 7.952 24.277 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.136 8.143 22.945 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.697 6.445 23.245 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.385 7.177 21.653 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.381 9.873 22.768 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.556 8.978 21.469 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.665 9.434 22.940 1.00 0.00 H new ATOM 173 N GLU A 14 16.166 4.605 23.151 1.00 0.00 N ATOM 174 CA GLU A 14 16.568 3.376 23.824 1.00 0.00 C ATOM 175 C GLU A 14 17.703 3.641 24.810 1.00 0.00 C ATOM 176 O GLU A 14 17.604 3.307 25.991 1.00 0.00 O ATOM 177 CB GLU A 14 17.002 2.326 22.800 1.00 0.00 C ATOM 178 CG GLU A 14 17.148 0.930 23.383 1.00 0.00 C ATOM 179 CD GLU A 14 15.811 0.256 23.625 1.00 0.00 C ATOM 180 OE1 GLU A 14 15.187 0.535 24.670 1.00 0.00 O ATOM 181 OE2 GLU A 14 15.389 -0.550 22.769 1.00 0.00 O ATOM 0 H GLU A 14 16.584 4.738 22.230 1.00 0.00 H new ATOM 0 HA GLU A 14 15.709 2.999 24.379 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.273 2.298 21.990 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.953 2.629 22.362 1.00 0.00 H new ATOM 0 HG2 GLU A 14 17.742 0.317 22.705 1.00 0.00 H new ATOM 0 HG3 GLU A 14 17.697 0.988 24.323 1.00 0.00 H new ATOM 188 N CYS A 15 18.779 4.241 24.315 1.00 0.00 N ATOM 189 CA CYS A 15 19.934 4.550 25.150 1.00 0.00 C ATOM 190 C CYS A 15 20.793 5.636 24.511 1.00 0.00 C ATOM 191 O CYS A 15 21.029 5.625 23.303 1.00 0.00 O ATOM 192 CB CYS A 15 20.772 3.292 25.384 1.00 0.00 C ATOM 193 SG CYS A 15 21.241 2.426 23.867 1.00 0.00 S ATOM 0 H CYS A 15 18.876 4.523 23.340 1.00 0.00 H new ATOM 0 HA CYS A 15 19.569 4.918 26.109 1.00 0.00 H new ATOM 0 HB2 CYS A 15 21.676 3.566 25.928 1.00 0.00 H new ATOM 0 HB3 CYS A 15 20.212 2.608 26.022 1.00 0.00 H new ATOM 0 HG CYS A 15 21.949 1.378 24.167 1.00 0.00 H new ATOM 199 N VAL A 16 21.257 6.575 25.330 1.00 0.00 N ATOM 200 CA VAL A 16 22.089 7.669 24.844 1.00 0.00 C ATOM 201 C VAL A 16 23.299 7.882 25.747 1.00 0.00 C ATOM 202 O VAL A 16 23.182 8.435 26.841 1.00 0.00 O ATOM 203 CB VAL A 16 21.292 8.984 24.755 1.00 0.00 C ATOM 204 CG1 VAL A 16 22.140 10.082 24.132 1.00 0.00 C ATOM 205 CG2 VAL A 16 20.009 8.776 23.964 1.00 0.00 C ATOM 0 H VAL A 16 21.071 6.600 26.333 1.00 0.00 H new ATOM 0 HA VAL A 16 22.428 7.390 23.846 1.00 0.00 H new ATOM 0 HB VAL A 16 21.024 9.295 25.765 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.560 11.003 24.078 1.00 0.00 H new ATOM 0 HG12 VAL A 16 23.027 10.248 24.743 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.442 9.783 23.128 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.458 9.715 23.911 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.253 8.441 22.956 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.395 8.023 24.458 1.00 0.00 H new ATOM 215 N LYS A 17 24.462 7.439 25.282 1.00 0.00 N ATOM 216 CA LYS A 17 25.696 7.582 26.046 1.00 0.00 C ATOM 217 C LYS A 17 26.800 8.191 25.187 1.00 0.00 C ATOM 218 O LYS A 17 27.557 9.045 25.648 1.00 0.00 O ATOM 219 CB LYS A 17 26.146 6.222 26.585 1.00 0.00 C ATOM 220 CG LYS A 17 26.172 5.128 25.532 1.00 0.00 C ATOM 221 CD LYS A 17 26.387 3.759 26.155 1.00 0.00 C ATOM 222 CE LYS A 17 27.866 3.420 26.258 1.00 0.00 C ATOM 223 NZ LYS A 17 28.116 2.316 27.226 1.00 0.00 N ATOM 0 H LYS A 17 24.576 6.978 24.379 1.00 0.00 H new ATOM 0 HA LYS A 17 25.501 8.252 26.884 1.00 0.00 H new ATOM 0 HB2 LYS A 17 27.142 6.323 27.016 1.00 0.00 H new ATOM 0 HB3 LYS A 17 25.478 5.922 27.392 1.00 0.00 H new ATOM 0 HG2 LYS A 17 25.234 5.133 24.978 1.00 0.00 H new ATOM 0 HG3 LYS A 17 26.967 5.331 24.815 1.00 0.00 H new ATOM 0 HD2 LYS A 17 25.937 3.735 27.148 1.00 0.00 H new ATOM 0 HD3 LYS A 17 25.880 3.002 25.557 1.00 0.00 H new ATOM 0 HE2 LYS A 17 28.242 3.134 25.276 1.00 0.00 H new ATOM 0 HE3 LYS A 17 28.421 4.306 26.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 29.136 2.115 27.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 27.780 2.598 28.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 27.607 1.463 26.918 1.00 0.00 H new ATOM 237 N ASP A 18 26.885 7.746 23.938 1.00 0.00 N ATOM 238 CA ASP A 18 27.895 8.250 23.015 1.00 0.00 C ATOM 239 C ASP A 18 27.346 9.409 22.189 1.00 0.00 C ATOM 240 O ASP A 18 26.154 9.712 22.243 1.00 0.00 O ATOM 241 CB ASP A 18 28.374 7.130 22.089 1.00 0.00 C ATOM 242 CG ASP A 18 28.720 5.863 22.846 1.00 0.00 C ATOM 243 OD1 ASP A 18 29.682 5.891 23.642 1.00 0.00 O ATOM 244 OD2 ASP A 18 28.029 4.843 22.642 1.00 0.00 O ATOM 0 H ASP A 18 26.267 7.038 23.542 1.00 0.00 H new ATOM 0 HA ASP A 18 28.739 8.613 23.601 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.598 6.911 21.356 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.249 7.470 21.535 1.00 0.00 H new ATOM 249 N GLN A 19 28.224 10.054 21.427 1.00 0.00 N ATOM 250 CA GLN A 19 27.827 11.181 20.591 1.00 0.00 C ATOM 251 C GLN A 19 26.634 10.815 19.714 1.00 0.00 C ATOM 252 O GLN A 19 25.817 11.670 19.371 1.00 0.00 O ATOM 253 CB GLN A 19 28.998 11.633 19.717 1.00 0.00 C ATOM 254 CG GLN A 19 28.969 13.115 19.380 1.00 0.00 C ATOM 255 CD GLN A 19 30.252 13.590 18.727 1.00 0.00 C ATOM 256 OE1 GLN A 19 31.222 13.984 19.544 1.00 0.00 O flip ATOM 257 NE2 GLN A 19 30.371 13.603 17.501 1.00 0.00 N flip ATOM 0 H GLN A 19 29.214 9.816 21.371 1.00 0.00 H new ATOM 0 HA GLN A 19 27.535 12.001 21.246 1.00 0.00 H new ATOM 0 HB2 GLN A 19 29.932 11.404 20.229 1.00 0.00 H new ATOM 0 HB3 GLN A 19 28.992 11.058 18.791 1.00 0.00 H new ATOM 0 HG2 GLN A 19 28.130 13.316 18.713 1.00 0.00 H new ATOM 0 HG3 GLN A 19 28.796 13.688 20.291 1.00 0.00 H new ATOM 0 HE21 GLN A 19 29.600 13.291 16.910 1.00 0.00 H new ATOM 0 HE22 GLN A 19 31.241 13.925 17.076 1.00 0.00 H new ATOM 266 N PHE A 20 26.540 9.539 19.354 1.00 0.00 N ATOM 267 CA PHE A 20 25.448 9.060 18.515 1.00 0.00 C ATOM 268 C PHE A 20 24.610 8.021 19.254 1.00 0.00 C ATOM 269 O PHE A 20 25.138 7.199 20.002 1.00 0.00 O ATOM 270 CB PHE A 20 25.997 8.460 17.219 1.00 0.00 C ATOM 271 CG PHE A 20 27.108 7.474 17.438 1.00 0.00 C ATOM 272 CD1 PHE A 20 26.829 6.152 17.745 1.00 0.00 C ATOM 273 CD2 PHE A 20 28.433 7.869 17.339 1.00 0.00 C ATOM 274 CE1 PHE A 20 27.849 5.242 17.947 1.00 0.00 C ATOM 275 CE2 PHE A 20 29.457 6.963 17.539 1.00 0.00 C ATOM 276 CZ PHE A 20 29.165 5.648 17.845 1.00 0.00 C ATOM 0 H PHE A 20 27.207 8.818 19.630 1.00 0.00 H new ATOM 0 HA PHE A 20 24.810 9.910 18.272 1.00 0.00 H new ATOM 0 HB2 PHE A 20 25.185 7.967 16.684 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.358 9.266 16.579 1.00 0.00 H new ATOM 0 HD1 PHE A 20 25.802 5.829 17.827 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.668 8.896 17.103 1.00 0.00 H new ATOM 0 HE1 PHE A 20 27.617 4.214 18.184 1.00 0.00 H new ATOM 0 HE2 PHE A 20 30.485 7.283 17.456 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.964 4.939 18.004 1.00 0.00 H new ATOM 286 N GLY A 21 23.299 8.064 19.039 1.00 0.00 N ATOM 287 CA GLY A 21 22.408 7.123 19.691 1.00 0.00 C ATOM 288 C GLY A 21 21.390 6.530 18.737 1.00 0.00 C ATOM 289 O GLY A 21 21.468 6.740 17.526 1.00 0.00 O ATOM 0 H GLY A 21 22.838 8.735 18.424 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.996 6.320 20.135 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.887 7.626 20.506 1.00 0.00 H new ATOM 293 N PHE A 22 20.433 5.786 19.282 1.00 0.00 N ATOM 294 CA PHE A 22 19.397 5.159 18.470 1.00 0.00 C ATOM 295 C PHE A 22 18.023 5.340 19.108 1.00 0.00 C ATOM 296 O PHE A 22 17.847 5.110 20.305 1.00 0.00 O ATOM 297 CB PHE A 22 19.695 3.669 18.288 1.00 0.00 C ATOM 298 CG PHE A 22 20.826 3.396 17.338 1.00 0.00 C ATOM 299 CD1 PHE A 22 20.585 3.225 15.984 1.00 0.00 C ATOM 300 CD2 PHE A 22 22.129 3.310 17.799 1.00 0.00 C ATOM 301 CE1 PHE A 22 21.624 2.974 15.107 1.00 0.00 C ATOM 302 CE2 PHE A 22 23.172 3.059 16.927 1.00 0.00 C ATOM 303 CZ PHE A 22 22.919 2.890 15.580 1.00 0.00 C ATOM 0 H PHE A 22 20.354 5.603 20.282 1.00 0.00 H new ATOM 0 HA PHE A 22 19.392 5.644 17.494 1.00 0.00 H new ATOM 0 HB2 PHE A 22 19.933 3.233 19.258 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.797 3.169 17.925 1.00 0.00 H new ATOM 0 HD1 PHE A 22 19.574 3.289 15.610 1.00 0.00 H new ATOM 0 HD2 PHE A 22 22.333 3.440 18.852 1.00 0.00 H new ATOM 0 HE1 PHE A 22 21.423 2.844 14.054 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.184 2.995 17.299 1.00 0.00 H new ATOM 0 HZ PHE A 22 23.732 2.692 14.898 1.00 0.00 H new ATOM 313 N ILE A 23 17.052 5.754 18.300 1.00 0.00 N ATOM 314 CA ILE A 23 15.694 5.965 18.785 1.00 0.00 C ATOM 315 C ILE A 23 14.790 4.794 18.415 1.00 0.00 C ATOM 316 O ILE A 23 14.980 4.152 17.383 1.00 0.00 O ATOM 317 CB ILE A 23 15.090 7.264 18.218 1.00 0.00 C ATOM 318 CG1 ILE A 23 16.056 8.433 18.423 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.750 7.556 18.876 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.580 9.726 17.799 1.00 0.00 C ATOM 0 H ILE A 23 17.181 5.950 17.307 1.00 0.00 H new ATOM 0 HA ILE A 23 15.755 6.045 19.870 1.00 0.00 H new ATOM 0 HB ILE A 23 14.927 7.135 17.148 1.00 0.00 H new ATOM 0 HG12 ILE A 23 16.205 8.588 19.492 1.00 0.00 H new ATOM 0 HG13 ILE A 23 17.026 8.171 18.001 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.336 8.477 18.465 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.063 6.732 18.684 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.890 7.669 19.951 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.314 10.511 17.984 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.458 9.588 16.725 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.624 10.012 18.239 1.00 0.00 H new ATOM 332 N ASN A 24 13.805 4.523 19.265 1.00 0.00 N ATOM 333 CA ASN A 24 12.869 3.430 19.028 1.00 0.00 C ATOM 334 C ASN A 24 11.815 3.829 18.000 1.00 0.00 C ATOM 335 O ASN A 24 10.699 4.209 18.355 1.00 0.00 O ATOM 336 CB ASN A 24 12.191 3.017 20.336 1.00 0.00 C ATOM 337 CG ASN A 24 13.184 2.526 21.372 1.00 0.00 C ATOM 338 OD1 ASN A 24 14.133 1.812 21.048 1.00 0.00 O ATOM 339 ND2 ASN A 24 12.969 2.908 22.625 1.00 0.00 N ATOM 0 H ASN A 24 13.634 5.045 20.124 1.00 0.00 H new ATOM 0 HA ASN A 24 13.432 2.583 18.635 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.639 3.866 20.740 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.464 2.231 20.133 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.604 2.609 23.365 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.169 3.500 22.847 1.00 0.00 H new ATOM 346 N TYR A 25 12.177 3.741 16.725 1.00 0.00 N ATOM 347 CA TYR A 25 11.264 4.094 15.645 1.00 0.00 C ATOM 348 C TYR A 25 11.622 3.350 14.362 1.00 0.00 C ATOM 349 O TYR A 25 12.748 3.440 13.874 1.00 0.00 O ATOM 350 CB TYR A 25 11.293 5.603 15.397 1.00 0.00 C ATOM 351 CG TYR A 25 10.122 6.107 14.584 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.834 6.096 15.105 1.00 0.00 C ATOM 353 CD2 TYR A 25 10.304 6.595 13.296 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.761 6.554 14.365 1.00 0.00 C ATOM 355 CE2 TYR A 25 9.237 7.056 12.550 1.00 0.00 C ATOM 356 CZ TYR A 25 7.967 7.034 13.089 1.00 0.00 C ATOM 357 OH TYR A 25 6.901 7.493 12.350 1.00 0.00 O ATOM 0 H TYR A 25 13.097 3.428 16.414 1.00 0.00 H new ATOM 0 HA TYR A 25 10.258 3.800 15.945 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.307 6.120 16.357 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.219 5.860 14.883 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.669 5.723 16.105 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.297 6.614 12.871 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.766 6.536 14.784 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.396 7.432 11.550 1.00 0.00 H new ATOM 0 HH TYR A 25 6.090 7.009 12.611 1.00 0.00 H new ATOM 367 N GLU A 26 10.655 2.615 13.822 1.00 0.00 N ATOM 368 CA GLU A 26 10.868 1.854 12.597 1.00 0.00 C ATOM 369 C GLU A 26 10.302 2.597 11.390 1.00 0.00 C ATOM 370 O GLU A 26 9.127 2.963 11.367 1.00 0.00 O ATOM 371 CB GLU A 26 10.220 0.472 12.708 1.00 0.00 C ATOM 372 CG GLU A 26 10.273 -0.331 11.420 1.00 0.00 C ATOM 373 CD GLU A 26 10.207 -1.826 11.661 1.00 0.00 C ATOM 374 OE1 GLU A 26 10.210 -2.238 12.840 1.00 0.00 O ATOM 375 OE2 GLU A 26 10.153 -2.585 10.671 1.00 0.00 O ATOM 0 H GLU A 26 9.717 2.531 14.214 1.00 0.00 H new ATOM 0 HA GLU A 26 11.942 1.733 12.458 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.718 -0.091 13.498 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.179 0.591 13.009 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.445 -0.034 10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.193 -0.093 10.886 1.00 0.00 H new ATOM 382 N VAL A 27 11.148 2.817 10.388 1.00 0.00 N ATOM 383 CA VAL A 27 10.734 3.516 9.177 1.00 0.00 C ATOM 384 C VAL A 27 11.010 2.675 7.936 1.00 0.00 C ATOM 385 O VAL A 27 11.472 3.187 6.917 1.00 0.00 O ATOM 386 CB VAL A 27 11.453 4.871 9.037 1.00 0.00 C ATOM 387 CG1 VAL A 27 11.064 5.802 10.175 1.00 0.00 C ATOM 388 CG2 VAL A 27 12.960 4.671 8.993 1.00 0.00 C ATOM 0 H VAL A 27 12.124 2.521 10.391 1.00 0.00 H new ATOM 0 HA VAL A 27 9.661 3.690 9.263 1.00 0.00 H new ATOM 0 HB VAL A 27 11.143 5.333 8.100 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.582 6.754 10.059 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.987 5.970 10.156 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.344 5.350 11.127 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.453 5.638 8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.290 4.188 9.913 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.219 4.043 8.141 1.00 0.00 H new ATOM 398 N GLY A 28 10.723 1.380 8.029 1.00 0.00 N ATOM 399 CA GLY A 28 10.947 0.488 6.906 1.00 0.00 C ATOM 400 C GLY A 28 11.681 -0.776 7.307 1.00 0.00 C ATOM 401 O GLY A 28 11.087 -1.692 7.876 1.00 0.00 O ATOM 0 H GLY A 28 10.340 0.933 8.862 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.988 0.222 6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.521 1.010 6.140 1.00 0.00 H new ATOM 405 N ASP A 29 12.974 -0.827 7.008 1.00 0.00 N ATOM 406 CA ASP A 29 13.790 -1.990 7.340 1.00 0.00 C ATOM 407 C ASP A 29 14.421 -1.833 8.720 1.00 0.00 C ATOM 408 O ASP A 29 14.495 -2.790 9.492 1.00 0.00 O ATOM 409 CB ASP A 29 14.880 -2.193 6.287 1.00 0.00 C ATOM 410 CG ASP A 29 14.326 -2.706 4.972 1.00 0.00 C ATOM 411 OD1 ASP A 29 13.813 -3.845 4.948 1.00 0.00 O ATOM 412 OD2 ASP A 29 14.405 -1.969 3.967 1.00 0.00 O ATOM 0 H ASP A 29 13.480 -0.077 6.537 1.00 0.00 H new ATOM 0 HA ASP A 29 13.142 -2.866 7.353 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.397 -1.249 6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.620 -2.898 6.666 1.00 0.00 H new ATOM 417 N SER A 30 14.877 -0.622 9.023 1.00 0.00 N ATOM 418 CA SER A 30 15.507 -0.341 10.308 1.00 0.00 C ATOM 419 C SER A 30 14.460 -0.218 11.411 1.00 0.00 C ATOM 420 O SER A 30 13.450 0.468 11.251 1.00 0.00 O ATOM 421 CB SER A 30 16.331 0.945 10.226 1.00 0.00 C ATOM 422 OG SER A 30 17.252 1.029 11.299 1.00 0.00 O ATOM 0 H SER A 30 14.822 0.181 8.396 1.00 0.00 H new ATOM 0 HA SER A 30 16.169 -1.173 10.550 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.868 0.977 9.278 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.666 1.809 10.245 1.00 0.00 H new ATOM 0 HG SER A 30 16.925 1.673 11.961 1.00 0.00 H new ATOM 428 N LYS A 31 14.708 -0.888 12.531 1.00 0.00 N ATOM 429 CA LYS A 31 13.789 -0.854 13.663 1.00 0.00 C ATOM 430 C LYS A 31 13.974 0.423 14.475 1.00 0.00 C ATOM 431 O LYS A 31 13.030 0.924 15.088 1.00 0.00 O ATOM 432 CB LYS A 31 14.006 -2.076 14.558 1.00 0.00 C ATOM 433 CG LYS A 31 13.253 -3.312 14.094 1.00 0.00 C ATOM 434 CD LYS A 31 13.439 -4.472 15.057 1.00 0.00 C ATOM 435 CE LYS A 31 14.828 -5.081 14.935 1.00 0.00 C ATOM 436 NZ LYS A 31 14.895 -6.096 13.848 1.00 0.00 N ATOM 0 H LYS A 31 15.538 -1.462 12.679 1.00 0.00 H new ATOM 0 HA LYS A 31 12.771 -0.872 13.274 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.071 -2.303 14.596 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.695 -1.832 15.574 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.192 -3.080 14.003 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.602 -3.601 13.103 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.280 -4.127 16.079 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.687 -5.236 14.858 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.555 -4.292 14.740 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.106 -5.544 15.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.857 -6.487 13.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.220 -6.862 14.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.655 -5.649 12.940 1.00 0.00 H new ATOM 450 N LYS A 32 15.195 0.948 14.475 1.00 0.00 N ATOM 451 CA LYS A 32 15.503 2.169 15.210 1.00 0.00 C ATOM 452 C LYS A 32 16.078 3.233 14.280 1.00 0.00 C ATOM 453 O LYS A 32 16.626 2.917 13.223 1.00 0.00 O ATOM 454 CB LYS A 32 16.494 1.874 16.338 1.00 0.00 C ATOM 455 CG LYS A 32 15.860 1.202 17.544 1.00 0.00 C ATOM 456 CD LYS A 32 16.910 0.724 18.532 1.00 0.00 C ATOM 457 CE LYS A 32 17.392 -0.680 18.198 1.00 0.00 C ATOM 458 NZ LYS A 32 16.326 -1.698 18.412 1.00 0.00 N ATOM 0 H LYS A 32 15.988 0.547 13.974 1.00 0.00 H new ATOM 0 HA LYS A 32 14.576 2.548 15.639 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.290 1.236 15.954 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.959 2.807 16.655 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.185 1.901 18.038 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.257 0.356 17.215 1.00 0.00 H new ATOM 0 HD2 LYS A 32 17.756 1.411 18.526 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.495 0.737 19.540 1.00 0.00 H new ATOM 0 HE2 LYS A 32 17.723 -0.713 17.160 1.00 0.00 H new ATOM 0 HE3 LYS A 32 18.256 -0.924 18.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.761 -2.631 18.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.765 -1.442 19.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.706 -1.732 17.578 1.00 0.00 H new ATOM 472 N LEU A 33 15.951 4.493 14.680 1.00 0.00 N ATOM 473 CA LEU A 33 16.460 5.604 13.883 1.00 0.00 C ATOM 474 C LEU A 33 17.798 6.096 14.426 1.00 0.00 C ATOM 475 O LEU A 33 18.177 5.777 15.553 1.00 0.00 O ATOM 476 CB LEU A 33 15.449 6.752 13.869 1.00 0.00 C ATOM 477 CG LEU A 33 15.636 7.798 12.769 1.00 0.00 C ATOM 478 CD1 LEU A 33 15.604 7.142 11.398 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.568 8.877 12.872 1.00 0.00 C ATOM 0 H LEU A 33 15.500 4.771 15.552 1.00 0.00 H new ATOM 0 HA LEU A 33 16.611 5.249 12.864 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.449 6.328 13.773 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.490 7.257 14.834 1.00 0.00 H new ATOM 0 HG LEU A 33 16.611 8.267 12.902 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.739 7.902 10.628 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.406 6.407 11.327 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.644 6.646 11.254 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.717 9.613 12.082 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.582 8.424 12.766 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.639 9.368 13.843 1.00 0.00 H new ATOM 491 N PHE A 34 18.508 6.876 13.617 1.00 0.00 N ATOM 492 CA PHE A 34 19.803 7.413 14.017 1.00 0.00 C ATOM 493 C PHE A 34 19.745 8.932 14.147 1.00 0.00 C ATOM 494 O PHE A 34 19.074 9.608 13.367 1.00 0.00 O ATOM 495 CB PHE A 34 20.878 7.018 13.002 1.00 0.00 C ATOM 496 CG PHE A 34 22.203 7.683 13.242 1.00 0.00 C ATOM 497 CD1 PHE A 34 22.481 8.923 12.690 1.00 0.00 C ATOM 498 CD2 PHE A 34 23.171 7.068 14.020 1.00 0.00 C ATOM 499 CE1 PHE A 34 23.699 9.538 12.909 1.00 0.00 C ATOM 500 CE2 PHE A 34 24.390 7.678 14.244 1.00 0.00 C ATOM 501 CZ PHE A 34 24.656 8.914 13.687 1.00 0.00 C ATOM 0 H PHE A 34 18.208 7.150 12.681 1.00 0.00 H new ATOM 0 HA PHE A 34 20.058 6.992 14.989 1.00 0.00 H new ATOM 0 HB2 PHE A 34 21.013 5.937 13.030 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.530 7.270 12.000 1.00 0.00 H new ATOM 0 HD1 PHE A 34 21.737 9.415 12.081 1.00 0.00 H new ATOM 0 HD2 PHE A 34 22.970 6.101 14.456 1.00 0.00 H new ATOM 0 HE1 PHE A 34 23.903 10.505 12.473 1.00 0.00 H new ATOM 0 HE2 PHE A 34 25.135 7.189 14.854 1.00 0.00 H new ATOM 0 HZ PHE A 34 25.609 9.391 13.859 1.00 0.00 H new ATOM 511 N PHE A 35 20.452 9.463 15.139 1.00 0.00 N ATOM 512 CA PHE A 35 20.480 10.902 15.374 1.00 0.00 C ATOM 513 C PHE A 35 21.813 11.327 15.985 1.00 0.00 C ATOM 514 O PHE A 35 22.487 10.535 16.644 1.00 0.00 O ATOM 515 CB PHE A 35 19.330 11.312 16.295 1.00 0.00 C ATOM 516 CG PHE A 35 19.534 10.907 17.727 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.494 9.572 18.095 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.766 11.861 18.705 1.00 0.00 C ATOM 519 CE1 PHE A 35 19.682 9.195 19.411 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.955 11.490 20.023 1.00 0.00 C ATOM 521 CZ PHE A 35 19.912 10.155 20.377 1.00 0.00 C ATOM 0 H PHE A 35 21.013 8.918 15.793 1.00 0.00 H new ATOM 0 HA PHE A 35 20.364 11.405 14.414 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.204 12.394 16.246 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.405 10.867 15.928 1.00 0.00 H new ATOM 0 HD1 PHE A 35 19.314 8.817 17.344 1.00 0.00 H new ATOM 0 HD2 PHE A 35 19.800 12.906 18.434 1.00 0.00 H new ATOM 0 HE1 PHE A 35 19.649 8.151 19.684 1.00 0.00 H new ATOM 0 HE2 PHE A 35 20.136 12.243 20.776 1.00 0.00 H new ATOM 0 HZ PHE A 35 20.058 9.863 21.406 1.00 0.00 H new ATOM 531 N HIS A 36 22.186 12.583 15.759 1.00 0.00 N ATOM 532 CA HIS A 36 23.437 13.115 16.287 1.00 0.00 C ATOM 533 C HIS A 36 23.171 14.176 17.350 1.00 0.00 C ATOM 534 O HIS A 36 22.055 14.679 17.474 1.00 0.00 O ATOM 535 CB HIS A 36 24.280 13.708 15.158 1.00 0.00 C ATOM 536 CG HIS A 36 25.745 13.755 15.465 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.437 14.933 15.655 1.00 0.00 N ATOM 538 CD2 HIS A 36 26.651 12.760 15.618 1.00 0.00 C ATOM 539 CE1 HIS A 36 27.704 14.661 15.909 1.00 0.00 C ATOM 540 NE2 HIS A 36 27.860 13.349 15.892 1.00 0.00 N ATOM 0 H HIS A 36 21.640 13.251 15.214 1.00 0.00 H new ATOM 0 HA HIS A 36 23.986 12.294 16.748 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.126 13.120 14.253 1.00 0.00 H new ATOM 0 HB3 HIS A 36 23.929 14.718 14.946 1.00 0.00 H new ATOM 0 HD1 HIS A 36 26.033 15.868 15.607 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.458 11.700 15.539 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.481 15.387 16.098 1.00 0.00 H new ATOM 548 N VAL A 37 24.205 14.511 18.117 1.00 0.00 N ATOM 549 CA VAL A 37 24.083 15.513 19.169 1.00 0.00 C ATOM 550 C VAL A 37 23.875 16.904 18.582 1.00 0.00 C ATOM 551 O VAL A 37 23.341 17.796 19.243 1.00 0.00 O ATOM 552 CB VAL A 37 25.328 15.530 20.075 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.473 14.206 20.809 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.575 15.835 19.259 1.00 0.00 C ATOM 0 H VAL A 37 25.136 14.103 18.029 1.00 0.00 H new ATOM 0 HA VAL A 37 23.213 15.241 19.766 1.00 0.00 H new ATOM 0 HB VAL A 37 25.205 16.318 20.818 1.00 0.00 H new ATOM 0 HG11 VAL A 37 26.358 14.237 21.444 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.590 14.033 21.425 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.574 13.398 20.085 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.446 15.843 19.915 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.705 15.070 18.493 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.469 16.810 18.784 1.00 0.00 H new ATOM 564 N LYS A 38 24.300 17.084 17.336 1.00 0.00 N ATOM 565 CA LYS A 38 24.161 18.367 16.657 1.00 0.00 C ATOM 566 C LYS A 38 22.720 18.592 16.210 1.00 0.00 C ATOM 567 O LYS A 38 22.281 19.730 16.051 1.00 0.00 O ATOM 568 CB LYS A 38 25.097 18.433 15.449 1.00 0.00 C ATOM 569 CG LYS A 38 24.631 17.592 14.273 1.00 0.00 C ATOM 570 CD LYS A 38 25.789 17.214 13.364 1.00 0.00 C ATOM 571 CE LYS A 38 25.445 16.017 12.491 1.00 0.00 C ATOM 572 NZ LYS A 38 26.662 15.268 12.072 1.00 0.00 N ATOM 0 H LYS A 38 24.744 16.357 16.775 1.00 0.00 H new ATOM 0 HA LYS A 38 24.432 19.154 17.361 1.00 0.00 H new ATOM 0 HB2 LYS A 38 25.191 19.471 15.129 1.00 0.00 H new ATOM 0 HB3 LYS A 38 26.091 18.102 15.751 1.00 0.00 H new ATOM 0 HG2 LYS A 38 24.146 16.688 14.641 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.885 18.145 13.702 1.00 0.00 H new ATOM 0 HD2 LYS A 38 26.049 18.063 12.732 1.00 0.00 H new ATOM 0 HD3 LYS A 38 26.667 16.985 13.968 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.778 15.350 13.036 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.905 16.356 11.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 26.385 14.460 11.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 27.288 15.897 11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 27.164 14.923 12.915 1.00 0.00 H new ATOM 586 N GLU A 39 21.989 17.499 16.012 1.00 0.00 N ATOM 587 CA GLU A 39 20.597 17.579 15.584 1.00 0.00 C ATOM 588 C GLU A 39 19.741 18.267 16.643 1.00 0.00 C ATOM 589 O GLU A 39 19.173 19.332 16.402 1.00 0.00 O ATOM 590 CB GLU A 39 20.048 16.180 15.298 1.00 0.00 C ATOM 591 CG GLU A 39 20.851 15.410 14.263 1.00 0.00 C ATOM 592 CD GLU A 39 21.021 16.178 12.967 1.00 0.00 C ATOM 593 OE1 GLU A 39 20.037 16.798 12.511 1.00 0.00 O ATOM 594 OE2 GLU A 39 22.138 16.159 12.408 1.00 0.00 O ATOM 0 H GLU A 39 22.337 16.549 16.141 1.00 0.00 H new ATOM 0 HA GLU A 39 20.558 18.171 14.670 1.00 0.00 H new ATOM 0 HB2 GLU A 39 20.028 15.610 16.227 1.00 0.00 H new ATOM 0 HB3 GLU A 39 19.017 16.267 14.955 1.00 0.00 H new ATOM 0 HG2 GLU A 39 21.833 15.174 14.673 1.00 0.00 H new ATOM 0 HG3 GLU A 39 20.356 14.461 14.056 1.00 0.00 H new ATOM 601 N VAL A 40 19.652 17.649 17.817 1.00 0.00 N ATOM 602 CA VAL A 40 18.866 18.201 18.914 1.00 0.00 C ATOM 603 C VAL A 40 19.242 19.654 19.182 1.00 0.00 C ATOM 604 O VAL A 40 20.401 19.965 19.453 1.00 0.00 O ATOM 605 CB VAL A 40 19.056 17.386 20.206 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.531 17.296 20.569 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.255 17.998 21.345 1.00 0.00 C ATOM 0 H VAL A 40 20.115 16.766 18.032 1.00 0.00 H new ATOM 0 HA VAL A 40 17.820 18.149 18.612 1.00 0.00 H new ATOM 0 HB VAL A 40 18.686 16.375 20.034 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.646 16.716 21.485 1.00 0.00 H new ATOM 0 HG12 VAL A 40 21.076 16.808 19.760 1.00 0.00 H new ATOM 0 HG13 VAL A 40 20.930 18.299 20.722 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.401 17.409 22.250 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.592 19.020 21.519 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.197 18.004 21.083 1.00 0.00 H new ATOM 617 N GLN A 41 18.253 20.539 19.106 1.00 0.00 N ATOM 618 CA GLN A 41 18.481 21.960 19.341 1.00 0.00 C ATOM 619 C GLN A 41 18.126 22.338 20.775 1.00 0.00 C ATOM 620 O GLN A 41 17.791 21.478 21.590 1.00 0.00 O ATOM 621 CB GLN A 41 17.658 22.798 18.361 1.00 0.00 C ATOM 622 CG GLN A 41 17.695 22.276 16.934 1.00 0.00 C ATOM 623 CD GLN A 41 16.566 21.308 16.638 1.00 0.00 C ATOM 624 OE1 GLN A 41 16.693 20.103 16.857 1.00 0.00 O ATOM 625 NE2 GLN A 41 15.453 21.832 16.137 1.00 0.00 N ATOM 0 H GLN A 41 17.287 20.297 18.884 1.00 0.00 H new ATOM 0 HA GLN A 41 19.540 22.164 19.183 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.623 22.828 18.701 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.027 23.823 18.374 1.00 0.00 H new ATOM 0 HG2 GLN A 41 17.639 23.116 16.242 1.00 0.00 H new ATOM 0 HG3 GLN A 41 18.650 21.780 16.757 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.392 22.837 15.972 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.660 21.230 15.918 1.00 0.00 H new ATOM 634 N ASP A 42 18.201 23.630 21.077 1.00 0.00 N ATOM 635 CA ASP A 42 17.886 24.122 22.413 1.00 0.00 C ATOM 636 C ASP A 42 18.797 23.482 23.456 1.00 0.00 C ATOM 637 O ASP A 42 18.468 23.443 24.641 1.00 0.00 O ATOM 638 CB ASP A 42 16.422 23.840 22.753 1.00 0.00 C ATOM 639 CG ASP A 42 15.489 24.917 22.236 1.00 0.00 C ATOM 640 OD1 ASP A 42 15.875 25.630 21.286 1.00 0.00 O ATOM 641 OD2 ASP A 42 14.373 25.048 22.781 1.00 0.00 O ATOM 0 H ASP A 42 18.477 24.355 20.415 1.00 0.00 H new ATOM 0 HA ASP A 42 18.051 25.199 22.425 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.132 22.879 22.329 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.313 23.757 23.834 1.00 0.00 H new ATOM 646 N GLY A 43 19.943 22.979 23.006 1.00 0.00 N ATOM 647 CA GLY A 43 20.882 22.346 23.913 1.00 0.00 C ATOM 648 C GLY A 43 20.231 21.279 24.770 1.00 0.00 C ATOM 649 O GLY A 43 20.677 21.012 25.886 1.00 0.00 O ATOM 0 H GLY A 43 20.237 22.999 22.030 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.694 21.900 23.338 1.00 0.00 H new ATOM 0 HA3 GLY A 43 21.327 23.104 24.558 1.00 0.00 H new ATOM 653 N ILE A 44 19.172 20.668 24.248 1.00 0.00 N ATOM 654 CA ILE A 44 18.459 19.624 24.973 1.00 0.00 C ATOM 655 C ILE A 44 19.200 18.294 24.893 1.00 0.00 C ATOM 656 O ILE A 44 19.853 17.996 23.894 1.00 0.00 O ATOM 657 CB ILE A 44 17.030 19.436 24.429 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.297 20.778 24.385 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.265 18.436 25.282 1.00 0.00 C ATOM 660 CD1 ILE A 44 16.077 21.391 25.750 1.00 0.00 C ATOM 0 H ILE A 44 18.789 20.878 23.326 1.00 0.00 H new ATOM 0 HA ILE A 44 18.404 19.944 26.013 1.00 0.00 H new ATOM 0 HB ILE A 44 17.093 19.044 23.414 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.867 21.474 23.771 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.332 20.640 23.898 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.257 18.314 24.884 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.780 17.475 25.266 1.00 0.00 H new ATOM 0 HG23 ILE A 44 16.209 18.801 26.308 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.552 22.340 25.642 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.480 20.714 26.361 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.040 21.561 26.232 1.00 0.00 H new ATOM 672 N GLU A 45 19.093 17.498 25.952 1.00 0.00 N ATOM 673 CA GLU A 45 19.753 16.198 26.001 1.00 0.00 C ATOM 674 C GLU A 45 18.727 15.068 26.037 1.00 0.00 C ATOM 675 O GLU A 45 17.829 15.056 26.879 1.00 0.00 O ATOM 676 CB GLU A 45 20.667 16.111 27.225 1.00 0.00 C ATOM 677 CG GLU A 45 21.364 14.769 27.370 1.00 0.00 C ATOM 678 CD GLU A 45 22.432 14.550 26.316 1.00 0.00 C ATOM 679 OE1 GLU A 45 22.070 14.297 25.147 1.00 0.00 O ATOM 680 OE2 GLU A 45 23.630 14.631 26.660 1.00 0.00 O ATOM 0 H GLU A 45 18.556 17.730 26.787 1.00 0.00 H new ATOM 0 HA GLU A 45 20.355 16.090 25.099 1.00 0.00 H new ATOM 0 HB2 GLU A 45 21.420 16.897 27.162 1.00 0.00 H new ATOM 0 HB3 GLU A 45 20.078 16.304 28.122 1.00 0.00 H new ATOM 0 HG2 GLU A 45 21.816 14.704 28.360 1.00 0.00 H new ATOM 0 HG3 GLU A 45 20.625 13.971 27.304 1.00 0.00 H new ATOM 687 N LEU A 46 18.868 14.121 25.117 1.00 0.00 N ATOM 688 CA LEU A 46 17.955 12.985 25.042 1.00 0.00 C ATOM 689 C LEU A 46 18.574 11.745 25.678 1.00 0.00 C ATOM 690 O LEU A 46 19.668 11.325 25.304 1.00 0.00 O ATOM 691 CB LEU A 46 17.588 12.696 23.585 1.00 0.00 C ATOM 692 CG LEU A 46 17.385 13.918 22.689 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.083 13.489 21.261 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.267 14.797 23.231 1.00 0.00 C ATOM 0 H LEU A 46 19.605 14.117 24.412 1.00 0.00 H new ATOM 0 HA LEU A 46 17.051 13.240 25.595 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.373 12.077 23.149 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.672 12.105 23.572 1.00 0.00 H new ATOM 0 HG LEU A 46 18.307 14.499 22.685 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.942 14.372 20.638 1.00 0.00 H new ATOM 0 HD12 LEU A 46 17.915 12.901 20.874 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.175 12.886 21.247 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.137 15.662 22.581 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.339 14.226 23.266 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.523 15.134 24.235 1.00 0.00 H new ATOM 706 N GLN A 47 17.865 11.164 26.640 1.00 0.00 N ATOM 707 CA GLN A 47 18.345 9.970 27.327 1.00 0.00 C ATOM 708 C GLN A 47 17.411 8.789 27.083 1.00 0.00 C ATOM 709 O GLN A 47 16.444 8.896 26.331 1.00 0.00 O ATOM 710 CB GLN A 47 18.470 10.236 28.828 1.00 0.00 C ATOM 711 CG GLN A 47 19.327 11.446 29.163 1.00 0.00 C ATOM 712 CD GLN A 47 19.143 11.913 30.594 1.00 0.00 C ATOM 713 OE1 GLN A 47 19.313 11.142 31.538 1.00 0.00 O ATOM 714 NE2 GLN A 47 18.794 13.183 30.761 1.00 0.00 N ATOM 0 H GLN A 47 16.957 11.500 26.961 1.00 0.00 H new ATOM 0 HA GLN A 47 19.328 9.721 26.926 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.474 10.380 29.247 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.895 9.356 29.310 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.376 11.201 28.997 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.079 12.262 28.484 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.664 13.787 29.949 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.656 13.555 31.701 1.00 0.00 H new ATOM 723 N ALA A 48 17.709 7.664 27.725 1.00 0.00 N ATOM 724 CA ALA A 48 16.895 6.463 27.579 1.00 0.00 C ATOM 725 C ALA A 48 15.508 6.664 28.179 1.00 0.00 C ATOM 726 O ALA A 48 15.373 7.009 29.353 1.00 0.00 O ATOM 727 CB ALA A 48 17.587 5.275 28.229 1.00 0.00 C ATOM 0 H ALA A 48 18.508 7.559 28.351 1.00 0.00 H new ATOM 0 HA ALA A 48 16.775 6.262 26.514 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.968 4.385 28.113 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.553 5.110 27.751 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.737 5.477 29.290 1.00 0.00 H new ATOM 733 N GLY A 49 14.479 6.446 27.366 1.00 0.00 N ATOM 734 CA GLY A 49 13.115 6.609 27.836 1.00 0.00 C ATOM 735 C GLY A 49 12.613 8.030 27.676 1.00 0.00 C ATOM 736 O GLY A 49 11.606 8.411 28.273 1.00 0.00 O ATOM 0 H GLY A 49 14.565 6.160 26.391 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.461 5.932 27.286 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.059 6.323 28.886 1.00 0.00 H new ATOM 740 N ASP A 50 13.316 8.817 26.869 1.00 0.00 N ATOM 741 CA ASP A 50 12.936 10.205 26.633 1.00 0.00 C ATOM 742 C ASP A 50 12.262 10.360 25.274 1.00 0.00 C ATOM 743 O ASP A 50 12.898 10.195 24.233 1.00 0.00 O ATOM 744 CB ASP A 50 14.164 11.113 26.714 1.00 0.00 C ATOM 745 CG ASP A 50 14.633 11.328 28.140 1.00 0.00 C ATOM 746 OD1 ASP A 50 14.931 10.327 28.824 1.00 0.00 O ATOM 747 OD2 ASP A 50 14.703 12.498 28.571 1.00 0.00 O ATOM 0 H ASP A 50 14.152 8.518 26.367 1.00 0.00 H new ATOM 0 HA ASP A 50 12.226 10.498 27.406 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.974 10.676 26.130 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.930 12.077 26.263 1.00 0.00 H new ATOM 752 N GLU A 51 10.971 10.677 25.292 1.00 0.00 N ATOM 753 CA GLU A 51 10.211 10.852 24.060 1.00 0.00 C ATOM 754 C GLU A 51 10.600 12.151 23.360 1.00 0.00 C ATOM 755 O GLU A 51 10.685 13.207 23.988 1.00 0.00 O ATOM 756 CB GLU A 51 8.710 10.850 24.356 1.00 0.00 C ATOM 757 CG GLU A 51 7.864 10.328 23.207 1.00 0.00 C ATOM 758 CD GLU A 51 6.435 10.033 23.621 1.00 0.00 C ATOM 759 OE1 GLU A 51 5.892 10.785 24.457 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.860 9.050 23.109 1.00 0.00 O ATOM 0 H GLU A 51 10.430 10.818 26.145 1.00 0.00 H new ATOM 0 HA GLU A 51 10.445 10.018 23.398 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.523 10.240 25.240 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.394 11.865 24.597 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.861 11.062 22.401 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.318 9.420 22.810 1.00 0.00 H new ATOM 767 N VAL A 52 10.837 12.066 22.055 1.00 0.00 N ATOM 768 CA VAL A 52 11.217 13.234 21.269 1.00 0.00 C ATOM 769 C VAL A 52 10.500 13.248 19.924 1.00 0.00 C ATOM 770 O VAL A 52 10.169 12.197 19.375 1.00 0.00 O ATOM 771 CB VAL A 52 12.738 13.277 21.027 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.480 13.506 22.335 1.00 0.00 C ATOM 773 CG2 VAL A 52 13.207 11.995 20.356 1.00 0.00 C ATOM 0 H VAL A 52 10.773 11.200 21.520 1.00 0.00 H new ATOM 0 HA VAL A 52 10.923 14.112 21.844 1.00 0.00 H new ATOM 0 HB VAL A 52 12.959 14.111 20.360 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.553 13.533 22.145 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.164 14.454 22.771 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.255 12.695 23.028 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.284 12.043 20.193 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.974 11.143 20.995 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.700 11.879 19.398 1.00 0.00 H new ATOM 783 N GLU A 53 10.263 14.446 19.398 1.00 0.00 N ATOM 784 CA GLU A 53 9.584 14.596 18.116 1.00 0.00 C ATOM 785 C GLU A 53 10.573 14.971 17.017 1.00 0.00 C ATOM 786 O GLU A 53 11.418 15.847 17.199 1.00 0.00 O ATOM 787 CB GLU A 53 8.488 15.660 18.216 1.00 0.00 C ATOM 788 CG GLU A 53 7.878 16.032 16.876 1.00 0.00 C ATOM 789 CD GLU A 53 8.604 17.181 16.203 1.00 0.00 C ATOM 790 OE1 GLU A 53 8.495 18.322 16.696 1.00 0.00 O ATOM 791 OE2 GLU A 53 9.282 16.937 15.183 1.00 0.00 O ATOM 0 H GLU A 53 10.531 15.326 19.839 1.00 0.00 H new ATOM 0 HA GLU A 53 9.129 13.639 17.860 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.700 15.297 18.876 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.904 16.556 18.678 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.895 15.162 16.219 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.832 16.303 17.020 1.00 0.00 H new ATOM 798 N PHE A 54 10.462 14.300 15.875 1.00 0.00 N ATOM 799 CA PHE A 54 11.347 14.560 14.746 1.00 0.00 C ATOM 800 C PHE A 54 10.615 14.359 13.423 1.00 0.00 C ATOM 801 O PHE A 54 9.543 13.755 13.380 1.00 0.00 O ATOM 802 CB PHE A 54 12.571 13.645 14.809 1.00 0.00 C ATOM 803 CG PHE A 54 12.225 12.189 14.942 1.00 0.00 C ATOM 804 CD1 PHE A 54 12.031 11.404 13.817 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.094 11.606 16.192 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.712 10.064 13.936 1.00 0.00 C ATOM 807 CE2 PHE A 54 11.776 10.267 16.317 1.00 0.00 C ATOM 808 CZ PHE A 54 11.584 9.495 15.188 1.00 0.00 C ATOM 0 H PHE A 54 9.768 13.572 15.707 1.00 0.00 H new ATOM 0 HA PHE A 54 11.675 15.598 14.805 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.168 13.788 13.908 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.193 13.941 15.654 1.00 0.00 H new ATOM 0 HD1 PHE A 54 12.130 11.844 12.836 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.242 12.205 17.079 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.563 9.463 13.051 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.678 9.824 17.297 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.334 8.449 15.284 1.00 0.00 H new ATOM 818 N SER A 55 11.201 14.870 12.345 1.00 0.00 N ATOM 819 CA SER A 55 10.603 14.751 11.020 1.00 0.00 C ATOM 820 C SER A 55 11.406 13.793 10.146 1.00 0.00 C ATOM 821 O SER A 55 12.633 13.868 10.088 1.00 0.00 O ATOM 822 CB SER A 55 10.519 16.124 10.350 1.00 0.00 C ATOM 823 OG SER A 55 9.457 16.170 9.413 1.00 0.00 O ATOM 0 H SER A 55 12.090 15.371 12.363 1.00 0.00 H new ATOM 0 HA SER A 55 9.596 14.350 11.137 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.373 16.894 11.108 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.461 16.345 9.848 1.00 0.00 H new ATOM 0 HG SER A 55 9.423 17.058 9.000 1.00 0.00 H new ATOM 829 N VAL A 56 10.703 12.892 9.466 1.00 0.00 N ATOM 830 CA VAL A 56 11.349 11.919 8.593 1.00 0.00 C ATOM 831 C VAL A 56 11.821 12.571 7.298 1.00 0.00 C ATOM 832 O VAL A 56 11.013 12.917 6.436 1.00 0.00 O ATOM 833 CB VAL A 56 10.400 10.754 8.253 1.00 0.00 C ATOM 834 CG1 VAL A 56 11.113 9.718 7.397 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.855 10.123 9.525 1.00 0.00 C ATOM 0 H VAL A 56 9.687 12.816 9.503 1.00 0.00 H new ATOM 0 HA VAL A 56 12.211 11.530 9.135 1.00 0.00 H new ATOM 0 HB VAL A 56 9.560 11.147 7.681 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.428 8.902 7.167 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.450 10.182 6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.973 9.327 7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.186 9.302 9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.681 9.743 10.125 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.306 10.872 10.096 1.00 0.00 H new ATOM 845 N ILE A 57 13.133 12.734 7.168 1.00 0.00 N ATOM 846 CA ILE A 57 13.712 13.343 5.978 1.00 0.00 C ATOM 847 C ILE A 57 14.540 12.332 5.191 1.00 0.00 C ATOM 848 O ILE A 57 15.443 11.694 5.735 1.00 0.00 O ATOM 849 CB ILE A 57 14.601 14.548 6.337 1.00 0.00 C ATOM 850 CG1 ILE A 57 13.838 15.521 7.238 1.00 0.00 C ATOM 851 CG2 ILE A 57 15.079 15.249 5.074 1.00 0.00 C ATOM 852 CD1 ILE A 57 12.629 16.139 6.572 1.00 0.00 C ATOM 0 H ILE A 57 13.815 12.453 7.872 1.00 0.00 H new ATOM 0 HA ILE A 57 12.880 13.686 5.363 1.00 0.00 H new ATOM 0 HB ILE A 57 15.474 14.188 6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.518 14.996 8.138 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.514 16.315 7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.706 16.098 5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.655 14.551 4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.218 15.600 4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.137 16.818 7.269 1.00 0.00 H new ATOM 0 HD12 ILE A 57 12.944 16.693 5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 57 11.933 15.353 6.279 1.00 0.00 H new ATOM 864 N LEU A 58 14.227 12.191 3.907 1.00 0.00 N ATOM 865 CA LEU A 58 14.943 11.259 3.043 1.00 0.00 C ATOM 866 C LEU A 58 15.952 11.994 2.167 1.00 0.00 C ATOM 867 O LEU A 58 15.626 13.000 1.538 1.00 0.00 O ATOM 868 CB LEU A 58 13.957 10.485 2.167 1.00 0.00 C ATOM 869 CG LEU A 58 14.570 9.658 1.036 1.00 0.00 C ATOM 870 CD1 LEU A 58 15.445 8.549 1.600 1.00 0.00 C ATOM 871 CD2 LEU A 58 13.479 9.078 0.148 1.00 0.00 C ATOM 0 H LEU A 58 13.482 12.710 3.442 1.00 0.00 H new ATOM 0 HA LEU A 58 15.484 10.557 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.380 9.817 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.254 11.195 1.731 1.00 0.00 H new ATOM 0 HG LEU A 58 15.195 10.314 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.873 7.971 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.248 8.986 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.842 7.895 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.933 8.493 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.828 8.437 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.893 9.889 -0.284 1.00 0.00 H new ATOM 883 N ASN A 59 17.178 11.482 2.129 1.00 0.00 N ATOM 884 CA ASN A 59 18.235 12.089 1.327 1.00 0.00 C ATOM 885 C ASN A 59 18.320 11.433 -0.048 1.00 0.00 C ATOM 886 O ASN A 59 18.444 10.214 -0.157 1.00 0.00 O ATOM 887 CB ASN A 59 19.581 11.970 2.045 1.00 0.00 C ATOM 888 CG ASN A 59 19.855 13.149 2.958 1.00 0.00 C ATOM 889 OD1 ASN A 59 19.139 14.150 2.931 1.00 0.00 O ATOM 890 ND2 ASN A 59 20.898 13.036 3.773 1.00 0.00 N ATOM 0 H ASN A 59 17.464 10.649 2.644 1.00 0.00 H new ATOM 0 HA ASN A 59 17.994 13.144 1.193 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.598 11.050 2.629 1.00 0.00 H new ATOM 0 HB3 ASN A 59 20.378 11.893 1.306 1.00 0.00 H new ATOM 0 HD21 ASN A 59 21.132 13.797 4.410 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.464 12.188 3.762 1.00 0.00 H new ATOM 897 N GLN A 60 18.252 12.252 -1.093 1.00 0.00 N ATOM 898 CA GLN A 60 18.321 11.751 -2.460 1.00 0.00 C ATOM 899 C GLN A 60 19.764 11.463 -2.862 1.00 0.00 C ATOM 900 O GLN A 60 20.024 10.601 -3.702 1.00 0.00 O ATOM 901 CB GLN A 60 17.701 12.761 -3.428 1.00 0.00 C ATOM 902 CG GLN A 60 16.183 12.809 -3.367 1.00 0.00 C ATOM 903 CD GLN A 60 15.530 11.825 -4.317 1.00 0.00 C ATOM 904 OE1 GLN A 60 16.077 10.758 -4.598 1.00 0.00 O ATOM 905 NE2 GLN A 60 14.352 12.180 -4.819 1.00 0.00 N ATOM 0 H GLN A 60 18.149 13.264 -1.019 1.00 0.00 H new ATOM 0 HA GLN A 60 17.757 10.820 -2.508 1.00 0.00 H new ATOM 0 HB2 GLN A 60 18.097 13.753 -3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 60 18.008 12.513 -4.444 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.857 12.596 -2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.845 13.817 -3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.935 13.074 -4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.865 11.559 -5.465 1.00 0.00 H new ATOM 914 N ARG A 61 20.698 12.190 -2.258 1.00 0.00 N ATOM 915 CA ARG A 61 22.114 12.014 -2.555 1.00 0.00 C ATOM 916 C ARG A 61 22.620 10.679 -2.016 1.00 0.00 C ATOM 917 O ARG A 61 23.280 9.920 -2.726 1.00 0.00 O ATOM 918 CB ARG A 61 22.929 13.160 -1.954 1.00 0.00 C ATOM 919 CG ARG A 61 24.335 13.270 -2.521 1.00 0.00 C ATOM 920 CD ARG A 61 24.854 14.698 -2.451 1.00 0.00 C ATOM 921 NE ARG A 61 25.011 15.156 -1.073 1.00 0.00 N ATOM 922 CZ ARG A 61 26.017 14.791 -0.287 1.00 0.00 C ATOM 923 NH1 ARG A 61 26.952 13.967 -0.740 1.00 0.00 N ATOM 924 NH2 ARG A 61 26.090 15.250 0.956 1.00 0.00 N ATOM 0 H ARG A 61 20.499 12.907 -1.560 1.00 0.00 H new ATOM 0 HA ARG A 61 22.236 12.019 -3.638 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.402 14.099 -2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.991 13.023 -0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 61 25.004 12.611 -1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 61 24.338 12.931 -3.557 1.00 0.00 H new ATOM 0 HD2 ARG A 61 25.813 14.761 -2.965 1.00 0.00 H new ATOM 0 HD3 ARG A 61 24.166 15.360 -2.977 1.00 0.00 H new ATOM 0 HE ARG A 61 24.309 15.791 -0.693 1.00 0.00 H new ATOM 0 HH11 ARG A 61 26.900 13.612 -1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 61 27.724 13.688 -0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 61 25.373 15.884 1.309 1.00 0.00 H new ATOM 0 HH22 ARG A 61 26.863 14.969 1.559 1.00 0.00 H new ATOM 938 N THR A 62 22.307 10.398 -0.755 1.00 0.00 N ATOM 939 CA THR A 62 22.730 9.157 -0.120 1.00 0.00 C ATOM 940 C THR A 62 21.669 8.073 -0.268 1.00 0.00 C ATOM 941 O THR A 62 21.928 7.009 -0.828 1.00 0.00 O ATOM 942 CB THR A 62 23.029 9.365 1.377 1.00 0.00 C ATOM 943 OG1 THR A 62 21.935 10.041 2.006 1.00 0.00 O ATOM 944 CG2 THR A 62 24.306 10.170 1.567 1.00 0.00 C ATOM 0 H THR A 62 21.761 11.014 -0.153 1.00 0.00 H new ATOM 0 HA THR A 62 23.642 8.840 -0.625 1.00 0.00 H new ATOM 0 HB THR A 62 23.163 8.386 1.837 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.194 10.309 2.912 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.497 10.304 2.632 1.00 0.00 H new ATOM 0 HG22 THR A 62 25.142 9.638 1.113 1.00 0.00 H new ATOM 0 HG23 THR A 62 24.195 11.145 1.093 1.00 0.00 H new ATOM 952 N GLY A 63 20.470 8.352 0.236 1.00 0.00 N ATOM 953 CA GLY A 63 19.387 7.390 0.149 1.00 0.00 C ATOM 954 C GLY A 63 19.057 6.765 1.490 1.00 0.00 C ATOM 955 O GLY A 63 18.574 5.634 1.554 1.00 0.00 O ATOM 0 H GLY A 63 20.230 9.227 0.703 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.499 7.882 -0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.658 6.605 -0.557 1.00 0.00 H new ATOM 959 N LYS A 64 19.319 7.501 2.565 1.00 0.00 N ATOM 960 CA LYS A 64 19.048 7.013 3.911 1.00 0.00 C ATOM 961 C LYS A 64 18.155 7.987 4.673 1.00 0.00 C ATOM 962 O LYS A 64 17.796 9.047 4.159 1.00 0.00 O ATOM 963 CB LYS A 64 20.358 6.802 4.674 1.00 0.00 C ATOM 964 CG LYS A 64 21.156 8.079 4.875 1.00 0.00 C ATOM 965 CD LYS A 64 22.607 7.782 5.213 1.00 0.00 C ATOM 966 CE LYS A 64 22.784 7.479 6.694 1.00 0.00 C ATOM 967 NZ LYS A 64 24.202 7.175 7.032 1.00 0.00 N ATOM 0 H LYS A 64 19.719 8.439 2.529 1.00 0.00 H new ATOM 0 HA LYS A 64 18.527 6.059 3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.136 6.365 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.972 6.081 4.134 1.00 0.00 H new ATOM 0 HG2 LYS A 64 21.109 8.685 3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.708 8.667 5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.953 6.933 4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 64 23.228 8.635 4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 64 22.445 8.332 7.282 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.155 6.632 6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 24.281 6.974 8.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 24.518 6.346 6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 24.799 7.993 6.793 1.00 0.00 H new ATOM 981 N CYS A 65 17.801 7.622 5.901 1.00 0.00 N ATOM 982 CA CYS A 65 16.950 8.464 6.734 1.00 0.00 C ATOM 983 C CYS A 65 17.714 8.971 7.953 1.00 0.00 C ATOM 984 O CYS A 65 18.732 8.399 8.342 1.00 0.00 O ATOM 985 CB CYS A 65 15.710 7.689 7.180 1.00 0.00 C ATOM 986 SG CYS A 65 16.076 6.160 8.073 1.00 0.00 S ATOM 0 H CYS A 65 18.090 6.749 6.341 1.00 0.00 H new ATOM 0 HA CYS A 65 16.638 9.323 6.140 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.102 8.332 7.817 1.00 0.00 H new ATOM 0 HB3 CYS A 65 15.109 7.450 6.303 1.00 0.00 H new ATOM 0 HG CYS A 65 17.255 6.245 8.613 1.00 0.00 H new ATOM 992 N SER A 66 17.217 10.049 8.550 1.00 0.00 N ATOM 993 CA SER A 66 17.855 10.637 9.722 1.00 0.00 C ATOM 994 C SER A 66 16.877 11.524 10.486 1.00 0.00 C ATOM 995 O SER A 66 15.874 11.979 9.936 1.00 0.00 O ATOM 996 CB SER A 66 19.081 11.452 9.306 1.00 0.00 C ATOM 997 OG SER A 66 18.719 12.510 8.435 1.00 0.00 O ATOM 0 H SER A 66 16.374 10.533 8.241 1.00 0.00 H new ATOM 0 HA SER A 66 18.171 9.826 10.378 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.570 11.857 10.192 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.803 10.802 8.813 1.00 0.00 H new ATOM 0 HG SER A 66 19.520 13.017 8.185 1.00 0.00 H new ATOM 1003 N ALA A 67 17.176 11.764 11.758 1.00 0.00 N ATOM 1004 CA ALA A 67 16.325 12.598 12.599 1.00 0.00 C ATOM 1005 C ALA A 67 16.779 14.053 12.568 1.00 0.00 C ATOM 1006 O ALA A 67 17.888 14.377 12.995 1.00 0.00 O ATOM 1007 CB ALA A 67 16.321 12.075 14.028 1.00 0.00 C ATOM 0 H ALA A 67 18.001 11.393 12.229 1.00 0.00 H new ATOM 0 HA ALA A 67 15.310 12.553 12.204 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.682 12.707 14.645 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.942 11.053 14.040 1.00 0.00 H new ATOM 0 HB3 ALA A 67 17.337 12.090 14.424 1.00 0.00 H new ATOM 1013 N CYS A 68 15.917 14.926 12.059 1.00 0.00 N ATOM 1014 CA CYS A 68 16.230 16.348 11.971 1.00 0.00 C ATOM 1015 C CYS A 68 15.290 17.167 12.849 1.00 0.00 C ATOM 1016 O CYS A 68 14.117 16.829 13.005 1.00 0.00 O ATOM 1017 CB CYS A 68 16.136 16.823 10.520 1.00 0.00 C ATOM 1018 SG CYS A 68 17.230 18.207 10.125 1.00 0.00 S ATOM 0 H CYS A 68 14.996 14.674 11.701 1.00 0.00 H new ATOM 0 HA CYS A 68 17.250 16.493 12.328 1.00 0.00 H new ATOM 0 HB2 CYS A 68 16.371 15.988 9.860 1.00 0.00 H new ATOM 0 HB3 CYS A 68 15.107 17.116 10.311 1.00 0.00 H new ATOM 0 HG CYS A 68 17.081 18.535 8.876 1.00 0.00 H new ATOM 1024 N ASN A 69 15.814 18.246 13.422 1.00 0.00 N ATOM 1025 CA ASN A 69 15.022 19.113 14.287 1.00 0.00 C ATOM 1026 C ASN A 69 14.388 18.316 15.423 1.00 0.00 C ATOM 1027 O ASN A 69 13.168 18.318 15.592 1.00 0.00 O ATOM 1028 CB ASN A 69 13.934 19.820 13.476 1.00 0.00 C ATOM 1029 CG ASN A 69 14.399 20.185 12.080 1.00 0.00 C ATOM 1030 OD1 ASN A 69 13.920 19.630 11.090 1.00 0.00 O ATOM 1031 ND2 ASN A 69 15.337 21.121 11.993 1.00 0.00 N ATOM 0 H ASN A 69 16.783 18.541 13.303 1.00 0.00 H new ATOM 0 HA ASN A 69 15.688 19.860 14.719 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.059 19.174 13.407 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.623 20.724 14.000 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.689 21.407 11.079 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.705 21.554 12.840 1.00 0.00 H new ATOM 1038 N VAL A 70 15.224 17.634 16.199 1.00 0.00 N ATOM 1039 CA VAL A 70 14.747 16.834 17.320 1.00 0.00 C ATOM 1040 C VAL A 70 14.369 17.716 18.505 1.00 0.00 C ATOM 1041 O VAL A 70 15.056 18.692 18.808 1.00 0.00 O ATOM 1042 CB VAL A 70 15.807 15.813 17.773 1.00 0.00 C ATOM 1043 CG1 VAL A 70 15.238 14.888 18.838 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.321 15.016 16.583 1.00 0.00 C ATOM 0 H VAL A 70 16.236 17.620 16.072 1.00 0.00 H new ATOM 0 HA VAL A 70 13.863 16.299 16.972 1.00 0.00 H new ATOM 0 HB VAL A 70 16.646 16.356 18.208 1.00 0.00 H new ATOM 0 HG11 VAL A 70 16.002 14.174 19.145 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.923 15.476 19.700 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.381 14.350 18.433 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.069 14.299 16.921 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.492 14.483 16.117 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.770 15.694 15.857 1.00 0.00 H new ATOM 1054 N TRP A 71 13.274 17.368 19.170 1.00 0.00 N ATOM 1055 CA TRP A 71 12.805 18.129 20.322 1.00 0.00 C ATOM 1056 C TRP A 71 12.258 17.201 21.401 1.00 0.00 C ATOM 1057 O TRP A 71 11.482 16.289 21.113 1.00 0.00 O ATOM 1058 CB TRP A 71 11.727 19.127 19.896 1.00 0.00 C ATOM 1059 CG TRP A 71 12.280 20.454 19.473 1.00 0.00 C ATOM 1060 CD1 TRP A 71 13.027 20.714 18.360 1.00 0.00 C ATOM 1061 CD2 TRP A 71 12.132 21.702 20.160 1.00 0.00 C ATOM 1062 NE1 TRP A 71 13.352 22.048 18.313 1.00 0.00 N ATOM 1063 CE2 TRP A 71 12.814 22.676 19.405 1.00 0.00 C ATOM 1064 CE3 TRP A 71 11.488 22.091 21.338 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 12.870 24.012 19.792 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 11.545 23.418 21.720 1.00 0.00 C ATOM 1067 CH2 TRP A 71 12.231 24.366 20.949 1.00 0.00 C ATOM 0 H TRP A 71 12.694 16.564 18.931 1.00 0.00 H new ATOM 0 HA TRP A 71 13.653 18.676 20.735 1.00 0.00 H new ATOM 0 HB2 TRP A 71 11.153 18.702 19.073 1.00 0.00 H new ATOM 0 HB3 TRP A 71 11.034 19.277 20.724 1.00 0.00 H new ATOM 0 HD1 TRP A 71 13.319 19.979 17.625 1.00 0.00 H new ATOM 0 HE1 TRP A 71 13.904 22.498 17.583 1.00 0.00 H new ATOM 0 HE3 TRP A 71 10.956 21.368 21.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 13.399 24.744 19.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 11.052 23.730 22.629 1.00 0.00 H new ATOM 0 HH2 TRP A 71 12.256 25.396 21.274 1.00 0.00 H new ATOM 1078 N ARG A 72 12.666 17.438 22.643 1.00 0.00 N ATOM 1079 CA ARG A 72 12.217 16.622 23.765 1.00 0.00 C ATOM 1080 C ARG A 72 10.749 16.894 24.081 1.00 0.00 C ATOM 1081 O ARG A 72 10.378 18.009 24.445 1.00 0.00 O ATOM 1082 CB ARG A 72 13.075 16.899 25.000 1.00 0.00 C ATOM 1083 CG ARG A 72 13.210 15.703 25.929 1.00 0.00 C ATOM 1084 CD ARG A 72 13.501 16.137 27.357 1.00 0.00 C ATOM 1085 NE ARG A 72 12.340 16.759 27.988 1.00 0.00 N ATOM 1086 CZ ARG A 72 12.318 17.156 29.255 1.00 0.00 C ATOM 1087 NH1 ARG A 72 13.387 16.997 30.023 1.00 0.00 N ATOM 1088 NH2 ARG A 72 11.223 17.714 29.757 1.00 0.00 N ATOM 0 H ARG A 72 13.307 18.189 22.898 1.00 0.00 H new ATOM 0 HA ARG A 72 12.323 15.574 23.485 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.068 17.213 24.679 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.641 17.731 25.554 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.291 15.117 25.906 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.011 15.054 25.574 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.811 15.272 27.943 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.335 16.839 27.360 1.00 0.00 H new ATOM 0 HE ARG A 72 11.501 16.896 27.425 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.230 16.568 29.641 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.366 17.303 30.996 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.398 17.838 29.169 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.206 18.019 30.730 1.00 0.00 H new ATOM 1102 N VAL A 73 9.919 15.866 23.938 1.00 0.00 N ATOM 1103 CA VAL A 73 8.492 15.993 24.209 1.00 0.00 C ATOM 1104 C VAL A 73 8.151 15.496 25.609 1.00 0.00 C ATOM 1105 O VAL A 73 7.162 15.919 26.206 1.00 0.00 O ATOM 1106 CB VAL A 73 7.653 15.210 23.181 1.00 0.00 C ATOM 1107 CG1 VAL A 73 6.172 15.495 23.371 1.00 0.00 C ATOM 1108 CG2 VAL A 73 8.093 15.551 21.765 1.00 0.00 C ATOM 0 H VAL A 73 10.210 14.936 23.636 1.00 0.00 H new ATOM 0 HA VAL A 73 8.250 17.053 24.134 1.00 0.00 H new ATOM 0 HB VAL A 73 7.816 14.144 23.341 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.596 14.933 22.636 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.870 15.196 24.375 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.987 16.561 23.239 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.490 14.989 21.051 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.961 16.619 21.590 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.143 15.290 21.638 1.00 0.00 H new ATOM 1118 N SER A 74 8.979 14.595 26.129 1.00 0.00 N ATOM 1119 CA SER A 74 8.765 14.037 27.459 1.00 0.00 C ATOM 1120 C SER A 74 10.069 13.496 28.038 1.00 0.00 C ATOM 1121 O SER A 74 10.855 12.861 27.338 1.00 0.00 O ATOM 1122 CB SER A 74 7.717 12.924 27.406 1.00 0.00 C ATOM 1123 OG SER A 74 7.475 12.389 28.695 1.00 0.00 O ATOM 0 H SER A 74 9.804 14.236 25.649 1.00 0.00 H new ATOM 0 HA SER A 74 8.404 14.836 28.107 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.788 13.315 26.991 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.056 12.132 26.738 1.00 0.00 H new ATOM 0 HG SER A 74 6.800 11.681 28.634 1.00 0.00 H new