USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 712 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 35 CYS SG : rot -166:sc= 0.2 USER MOD Set 1.2: A 85 CYS SG : rot 113:sc= 0.443 USER MOD Set 2.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 93 SER OG : rot 160:sc= -0.0135 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0.0437 USER MOD Single : A 47 THR OG1 : rot -8:sc= 0.956 USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= -0.112 (180deg=-0.507) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0285 USER MOD Single : A 62 GLN : amide:sc= -0.523 K(o=-0.52,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.303 K(o=-0.3,f=-3.3!) USER MOD Single : A 80 SER OG : rot -60:sc= 1.09 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N TRP A 13 11.225 -14.110 -4.248 1.00 0.00 N ATOM 131 CA TRP A 13 11.315 -12.747 -4.760 1.00 0.00 C ATOM 132 C TRP A 13 11.106 -11.731 -3.643 1.00 0.00 C ATOM 133 O TRP A 13 11.871 -10.774 -3.510 1.00 0.00 O ATOM 134 CB TRP A 13 10.282 -12.526 -5.866 1.00 0.00 C ATOM 135 CG TRP A 13 10.712 -13.067 -7.196 1.00 0.00 C ATOM 136 CD1 TRP A 13 10.186 -14.144 -7.852 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.757 -12.558 -8.032 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.842 -14.335 -9.044 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.810 -13.375 -9.178 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.653 -11.491 -7.924 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.723 -13.157 -10.206 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.559 -11.276 -8.945 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.588 -12.105 -10.074 1.00 0.00 C ATOM 0 HA TRP A 13 12.314 -12.606 -5.172 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.343 -12.998 -5.576 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.086 -11.458 -5.962 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.374 -14.755 -7.487 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.641 -15.072 -9.720 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.638 -10.846 -7.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.748 -13.795 -11.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.257 -10.455 -8.871 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.307 -11.910 -10.856 1.00 0.00 H new ATOM 154 N ILE A 14 10.068 -11.944 -2.841 1.00 0.00 N ATOM 155 CA ILE A 14 9.761 -11.047 -1.734 1.00 0.00 C ATOM 156 C ILE A 14 10.738 -11.242 -0.581 1.00 0.00 C ATOM 157 O ILE A 14 10.550 -12.116 0.266 1.00 0.00 O ATOM 158 CB ILE A 14 8.326 -11.260 -1.218 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.320 -11.095 -2.360 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.018 -10.287 -0.090 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.045 -11.885 -2.161 1.00 0.00 C ATOM 0 H ILE A 14 9.425 -12.730 -2.937 1.00 0.00 H new ATOM 0 HA ILE A 14 9.853 -10.031 -2.117 1.00 0.00 H new ATOM 0 HB ILE A 14 8.243 -12.275 -0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.071 -10.039 -2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.788 -11.406 -3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.000 -10.450 0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.717 -10.448 0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.116 -9.264 -0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.379 -11.720 -3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.282 -12.946 -2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.554 -11.558 -1.244 1.00 0.00 H new ATOM 173 N VAL A 15 11.783 -10.421 -0.552 1.00 0.00 N ATOM 174 CA VAL A 15 12.790 -10.501 0.500 1.00 0.00 C ATOM 175 C VAL A 15 12.257 -9.941 1.815 1.00 0.00 C ATOM 176 O VAL A 15 12.678 -10.357 2.894 1.00 0.00 O ATOM 177 CB VAL A 15 14.070 -9.738 0.111 1.00 0.00 C ATOM 178 CG1 VAL A 15 13.796 -8.244 0.027 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.185 -10.028 1.104 1.00 0.00 C ATOM 0 H VAL A 15 11.954 -9.693 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 15 13.030 -11.556 0.629 1.00 0.00 H new ATOM 0 HB VAL A 15 14.392 -10.080 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.712 -7.721 -0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.030 -8.056 -0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.450 -7.883 0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.082 -9.481 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.875 -9.714 2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.398 -11.097 1.110 1.00 0.00 H new ATOM 189 N TYR A 16 11.328 -8.997 1.716 1.00 0.00 N ATOM 190 CA TYR A 16 10.738 -8.379 2.897 1.00 0.00 C ATOM 191 C TYR A 16 9.451 -7.642 2.540 1.00 0.00 C ATOM 192 O TYR A 16 9.314 -7.063 1.462 1.00 0.00 O ATOM 193 CB TYR A 16 11.731 -7.410 3.541 1.00 0.00 C ATOM 194 CG TYR A 16 11.085 -6.409 4.472 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.253 -5.410 3.980 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.305 -6.462 5.843 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.661 -4.493 4.826 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.715 -5.550 6.696 1.00 0.00 C ATOM 199 CZ TYR A 16 9.894 -4.568 6.184 1.00 0.00 C ATOM 200 OH TYR A 16 9.306 -3.657 7.031 1.00 0.00 O ATOM 0 H TYR A 16 10.967 -8.643 0.830 1.00 0.00 H new ATOM 0 HA TYR A 16 10.498 -9.169 3.608 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.475 -7.981 4.096 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.262 -6.872 2.756 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.066 -5.350 2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.948 -7.229 6.248 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.019 -3.721 4.427 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.896 -5.606 7.759 1.00 0.00 H new ATOM 0 HH TYR A 16 9.572 -3.850 7.954 1.00 0.00 H new ATOM 210 N PRO A 17 8.482 -7.662 3.468 1.00 0.00 N ATOM 211 CA PRO A 17 8.633 -8.348 4.755 1.00 0.00 C ATOM 212 C PRO A 17 8.656 -9.865 4.604 1.00 0.00 C ATOM 213 O PRO A 17 8.362 -10.397 3.533 1.00 0.00 O ATOM 214 CB PRO A 17 7.395 -7.907 5.540 1.00 0.00 C ATOM 215 CG PRO A 17 6.387 -7.567 4.497 1.00 0.00 C ATOM 216 CD PRO A 17 7.165 -7.018 3.333 1.00 0.00 C ATOM 0 HA PRO A 17 9.575 -8.097 5.242 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.036 -8.702 6.193 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.614 -7.048 6.174 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.816 -8.448 4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.672 -6.833 4.870 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.693 -7.265 2.382 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.242 -5.932 3.378 1.00 0.00 H new ATOM 224 N SER A 18 9.006 -10.558 5.683 1.00 0.00 N ATOM 225 CA SER A 18 9.070 -12.015 5.669 1.00 0.00 C ATOM 226 C SER A 18 7.873 -12.618 6.397 1.00 0.00 C ATOM 227 O SER A 18 8.024 -13.278 7.425 1.00 0.00 O ATOM 228 CB SER A 18 10.370 -12.495 6.317 1.00 0.00 C ATOM 229 OG SER A 18 10.549 -13.888 6.129 1.00 0.00 O ATOM 0 H SER A 18 9.250 -10.134 6.578 1.00 0.00 H new ATOM 0 HA SER A 18 9.046 -12.346 4.631 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.215 -11.955 5.888 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.354 -12.268 7.383 1.00 0.00 H new ATOM 0 HG SER A 18 11.387 -14.170 6.551 1.00 0.00 H new ATOM 235 N GLY A 19 6.681 -12.386 5.856 1.00 0.00 N ATOM 236 CA GLY A 19 5.474 -12.912 6.466 1.00 0.00 C ATOM 237 C GLY A 19 4.311 -11.944 6.381 1.00 0.00 C ATOM 238 O GLY A 19 4.258 -11.102 5.484 1.00 0.00 O ATOM 0 H GLY A 19 6.530 -11.843 5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.201 -13.847 5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.672 -13.146 7.512 1.00 0.00 H new ATOM 242 N LYS A 20 3.374 -12.063 7.315 1.00 0.00 N ATOM 243 CA LYS A 20 2.205 -11.192 7.343 1.00 0.00 C ATOM 244 C LYS A 20 2.496 -9.914 8.123 1.00 0.00 C ATOM 245 O LYS A 20 3.234 -9.932 9.109 1.00 0.00 O ATOM 246 CB LYS A 20 1.013 -11.923 7.967 1.00 0.00 C ATOM 247 CG LYS A 20 0.242 -12.782 6.980 1.00 0.00 C ATOM 248 CD LYS A 20 -1.190 -13.005 7.435 1.00 0.00 C ATOM 249 CE LYS A 20 -1.741 -14.324 6.917 1.00 0.00 C ATOM 250 NZ LYS A 20 -2.159 -14.228 5.490 1.00 0.00 N ATOM 0 H LYS A 20 3.401 -12.755 8.064 1.00 0.00 H new ATOM 0 HA LYS A 20 1.961 -10.922 6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.370 -12.552 8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.336 -11.189 8.404 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.243 -12.303 6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.742 -13.744 6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.232 -12.995 8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.816 -12.185 7.084 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.983 -15.101 7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.593 -14.626 7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.529 -15.147 5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.900 -13.505 5.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.340 -13.965 4.905 1.00 0.00 H new ATOM 264 N VAL A 21 1.912 -8.807 7.676 1.00 0.00 N ATOM 265 CA VAL A 21 2.107 -7.521 8.334 1.00 0.00 C ATOM 266 C VAL A 21 0.779 -6.802 8.541 1.00 0.00 C ATOM 267 O VAL A 21 -0.050 -6.733 7.633 1.00 0.00 O ATOM 268 CB VAL A 21 3.049 -6.612 7.522 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.147 -5.236 8.162 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.424 -7.249 7.394 1.00 0.00 C ATOM 0 H VAL A 21 1.300 -8.775 6.861 1.00 0.00 H new ATOM 0 HA VAL A 21 2.560 -7.728 9.304 1.00 0.00 H new ATOM 0 HB VAL A 21 2.635 -6.491 6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.817 -4.608 7.574 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.158 -4.779 8.196 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.537 -5.333 9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.077 -6.593 6.817 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.848 -7.402 8.386 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.334 -8.209 6.886 1.00 0.00 H new ATOM 280 N TYR A 22 0.582 -6.268 9.741 1.00 0.00 N ATOM 281 CA TYR A 22 -0.647 -5.555 10.069 1.00 0.00 C ATOM 282 C TYR A 22 -0.413 -4.048 10.090 1.00 0.00 C ATOM 283 O TYR A 22 0.547 -3.565 10.690 1.00 0.00 O ATOM 284 CB TYR A 22 -1.184 -6.019 11.424 1.00 0.00 C ATOM 285 CG TYR A 22 -1.946 -7.323 11.359 1.00 0.00 C ATOM 286 CD1 TYR A 22 -1.415 -8.429 10.707 1.00 0.00 C ATOM 287 CD2 TYR A 22 -3.197 -7.449 11.950 1.00 0.00 C ATOM 288 CE1 TYR A 22 -2.108 -9.623 10.645 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.897 -8.639 11.894 1.00 0.00 C ATOM 290 CZ TYR A 22 -3.348 -9.723 11.240 1.00 0.00 C ATOM 291 OH TYR A 22 -4.041 -10.910 11.181 1.00 0.00 O ATOM 0 H TYR A 22 1.258 -6.315 10.503 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.384 -5.779 9.298 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.350 -6.129 12.117 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.837 -5.246 11.831 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.444 -8.354 10.241 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.630 -6.602 12.462 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.681 -10.473 10.133 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.868 -8.720 12.359 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.896 -10.813 11.650 1.00 0.00 H new ATOM 301 N VAL A 23 -1.301 -3.309 9.432 1.00 0.00 N ATOM 302 CA VAL A 23 -1.194 -1.855 9.376 1.00 0.00 C ATOM 303 C VAL A 23 -2.546 -1.195 9.624 1.00 0.00 C ATOM 304 O VAL A 23 -3.540 -1.532 8.980 1.00 0.00 O ATOM 305 CB VAL A 23 -0.647 -1.385 8.016 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.507 0.130 7.991 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.685 -2.057 7.716 1.00 0.00 C ATOM 0 H VAL A 23 -2.102 -3.693 8.931 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.499 -1.558 10.161 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.356 -1.673 7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.119 0.444 7.022 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.482 0.588 8.157 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.180 0.445 8.776 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.057 -1.713 6.751 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.405 -1.802 8.494 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.549 -3.138 7.688 1.00 0.00 H new ATOM 317 N ALA A 24 -2.575 -0.253 10.560 1.00 0.00 N ATOM 318 CA ALA A 24 -3.805 0.457 10.891 1.00 0.00 C ATOM 319 C ALA A 24 -3.765 1.892 10.379 1.00 0.00 C ATOM 320 O ALA A 24 -2.870 2.662 10.728 1.00 0.00 O ATOM 321 CB ALA A 24 -4.037 0.438 12.395 1.00 0.00 C ATOM 0 H ALA A 24 -1.761 0.037 11.103 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.633 -0.054 10.400 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.959 0.972 12.628 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.119 -0.594 12.738 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.200 0.922 12.898 1.00 0.00 H new ATOM 327 N ALA A 25 -4.740 2.246 9.547 1.00 0.00 N ATOM 328 CA ALA A 25 -4.816 3.590 8.987 1.00 0.00 C ATOM 329 C ALA A 25 -6.140 4.258 9.342 1.00 0.00 C ATOM 330 O ALA A 25 -7.037 3.625 9.900 1.00 0.00 O ATOM 331 CB ALA A 25 -4.634 3.544 7.478 1.00 0.00 C ATOM 0 H ALA A 25 -5.488 1.621 9.246 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.011 4.184 9.421 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.693 4.554 7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.660 3.115 7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.418 2.930 7.036 1.00 0.00 H new ATOM 337 N VAL A 26 -6.257 5.541 9.015 1.00 0.00 N ATOM 338 CA VAL A 26 -7.472 6.295 9.299 1.00 0.00 C ATOM 339 C VAL A 26 -7.987 6.999 8.048 1.00 0.00 C ATOM 340 O VAL A 26 -7.219 7.304 7.136 1.00 0.00 O ATOM 341 CB VAL A 26 -7.238 7.341 10.404 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.535 7.640 11.140 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.165 6.864 11.371 1.00 0.00 C ATOM 0 H VAL A 26 -5.525 6.080 8.553 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.217 5.577 9.641 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.891 8.264 9.939 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.350 8.381 11.917 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.271 8.028 10.436 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.915 6.725 11.595 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.013 7.616 12.145 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.480 5.928 11.831 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.232 6.706 10.830 1.00 0.00 H new ATOM 353 N ARG A 27 -9.291 7.253 8.014 1.00 0.00 N ATOM 354 CA ARG A 27 -9.909 7.921 6.875 1.00 0.00 C ATOM 355 C ARG A 27 -9.068 9.111 6.420 1.00 0.00 C ATOM 356 O ARG A 27 -8.851 10.057 7.179 1.00 0.00 O ATOM 357 CB ARG A 27 -11.321 8.388 7.234 1.00 0.00 C ATOM 358 CG ARG A 27 -12.075 9.002 6.066 1.00 0.00 C ATOM 359 CD ARG A 27 -13.572 8.762 6.182 1.00 0.00 C ATOM 360 NE ARG A 27 -14.348 9.839 5.574 1.00 0.00 N ATOM 361 CZ ARG A 27 -15.658 9.985 5.738 1.00 0.00 C ATOM 362 NH1 ARG A 27 -16.335 9.126 6.488 1.00 0.00 N ATOM 363 NH2 ARG A 27 -16.294 10.991 5.152 1.00 0.00 N ATOM 0 H ARG A 27 -9.940 7.006 8.762 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.968 7.205 6.055 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.889 7.540 7.616 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.259 9.119 8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.879 10.074 6.028 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.709 8.577 5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.826 7.817 5.702 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.844 8.669 7.233 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.857 10.517 4.991 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -15.850 8.351 6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -17.341 9.240 6.613 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.777 11.654 4.574 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.300 11.102 5.279 1.00 0.00 H new ATOM 377 N LEU A 28 -8.598 9.057 5.179 1.00 0.00 N ATOM 378 CA LEU A 28 -7.780 10.130 4.624 1.00 0.00 C ATOM 379 C LEU A 28 -6.444 10.230 5.353 1.00 0.00 C ATOM 380 O LEU A 28 -5.939 11.326 5.594 1.00 0.00 O ATOM 381 CB LEU A 28 -8.525 11.463 4.713 1.00 0.00 C ATOM 382 CG LEU A 28 -9.973 11.458 4.223 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.654 12.776 4.557 1.00 0.00 C ATOM 384 CD2 LEU A 28 -10.028 11.191 2.726 1.00 0.00 C ATOM 0 H LEU A 28 -8.769 8.282 4.538 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.584 9.900 3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.515 11.793 5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.971 12.205 4.138 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.507 10.657 4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.684 12.754 4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.647 12.926 5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.120 13.594 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.066 11.191 2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.478 11.969 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.579 10.221 2.513 1.00 0.00 H new ATOM 396 N GLU A 29 -5.877 9.079 5.699 1.00 0.00 N ATOM 397 CA GLU A 29 -4.598 9.038 6.399 1.00 0.00 C ATOM 398 C GLU A 29 -3.459 8.723 5.434 1.00 0.00 C ATOM 399 O GLU A 29 -3.678 8.158 4.362 1.00 0.00 O ATOM 400 CB GLU A 29 -4.637 7.994 7.517 1.00 0.00 C ATOM 401 CG GLU A 29 -3.329 7.871 8.280 1.00 0.00 C ATOM 402 CD GLU A 29 -3.009 9.111 9.092 1.00 0.00 C ATOM 403 OE1 GLU A 29 -3.925 9.640 9.755 1.00 0.00 O ATOM 404 OE2 GLU A 29 -1.841 9.552 9.065 1.00 0.00 O ATOM 0 H GLU A 29 -6.282 8.163 5.506 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.420 10.021 6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.433 8.252 8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.891 7.024 7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.380 7.009 8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.518 7.683 7.576 1.00 0.00 H new ATOM 411 N ARG A 30 -2.243 9.094 5.821 1.00 0.00 N ATOM 412 CA ARG A 30 -1.070 8.854 4.990 1.00 0.00 C ATOM 413 C ARG A 30 -0.303 7.627 5.475 1.00 0.00 C ATOM 414 O ARG A 30 0.375 7.671 6.502 1.00 0.00 O ATOM 415 CB ARG A 30 -0.153 10.078 4.999 1.00 0.00 C ATOM 416 CG ARG A 30 1.068 9.931 4.105 1.00 0.00 C ATOM 417 CD ARG A 30 2.238 9.317 4.857 1.00 0.00 C ATOM 418 NE ARG A 30 3.523 9.720 4.292 1.00 0.00 N ATOM 419 CZ ARG A 30 4.053 10.927 4.459 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.412 11.843 5.170 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.227 11.218 3.914 1.00 0.00 N ATOM 0 H ARG A 30 -2.045 9.562 6.705 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.409 8.670 3.970 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.723 10.951 4.681 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.176 10.268 6.021 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.819 9.308 3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.356 10.908 3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.193 9.616 5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.155 8.230 4.831 1.00 0.00 H new ATOM 0 HE ARG A 30 4.042 9.038 3.739 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.509 11.622 5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.821 12.769 5.297 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.723 10.515 3.366 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.633 12.145 4.043 1.00 0.00 H new ATOM 435 N VAL A 31 -0.415 6.532 4.730 1.00 0.00 N ATOM 436 CA VAL A 31 0.268 5.293 5.083 1.00 0.00 C ATOM 437 C VAL A 31 1.464 5.045 4.170 1.00 0.00 C ATOM 438 O VAL A 31 1.559 5.618 3.084 1.00 0.00 O ATOM 439 CB VAL A 31 -0.684 4.085 5.003 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.857 4.265 5.955 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.171 3.884 3.576 1.00 0.00 C ATOM 0 H VAL A 31 -0.973 6.478 3.878 1.00 0.00 H new ATOM 0 HA VAL A 31 0.616 5.405 6.110 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.136 3.192 5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.519 3.402 5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.486 4.356 6.976 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.408 5.167 5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.843 3.026 3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.702 4.776 3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.317 3.706 2.922 1.00 0.00 H new ATOM 451 N VAL A 32 2.375 4.188 4.618 1.00 0.00 N ATOM 452 CA VAL A 32 3.565 3.862 3.841 1.00 0.00 C ATOM 453 C VAL A 32 3.919 2.385 3.971 1.00 0.00 C ATOM 454 O VAL A 32 4.412 1.943 5.011 1.00 0.00 O ATOM 455 CB VAL A 32 4.773 4.709 4.282 1.00 0.00 C ATOM 456 CG1 VAL A 32 6.011 4.332 3.483 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.465 6.192 4.134 1.00 0.00 C ATOM 0 H VAL A 32 2.312 3.707 5.515 1.00 0.00 H new ATOM 0 HA VAL A 32 3.334 4.087 2.800 1.00 0.00 H new ATOM 0 HB VAL A 32 4.973 4.505 5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.854 4.941 3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.241 3.279 3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.827 4.505 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.329 6.776 4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.238 6.414 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.607 6.449 4.755 1.00 0.00 H new ATOM 467 N LEU A 33 3.667 1.626 2.911 1.00 0.00 N ATOM 468 CA LEU A 33 3.960 0.196 2.906 1.00 0.00 C ATOM 469 C LEU A 33 5.429 -0.057 2.581 1.00 0.00 C ATOM 470 O LEU A 33 5.999 0.580 1.695 1.00 0.00 O ATOM 471 CB LEU A 33 3.070 -0.523 1.892 1.00 0.00 C ATOM 472 CG LEU A 33 1.745 -1.067 2.428 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.070 -0.041 3.324 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.827 -1.462 1.281 1.00 0.00 C ATOM 0 H LEU A 33 3.260 1.976 2.043 1.00 0.00 H new ATOM 0 HA LEU A 33 3.755 -0.196 3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.853 0.166 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.635 -1.353 1.467 1.00 0.00 H new ATOM 0 HG LEU A 33 1.954 -1.957 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.129 -0.446 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.722 0.192 4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.874 0.867 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.111 -1.847 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.625 -0.590 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.308 -2.233 0.679 1.00 0.00 H new ATOM 486 N THR A 34 6.036 -0.994 3.303 1.00 0.00 N ATOM 487 CA THR A 34 7.438 -1.333 3.091 1.00 0.00 C ATOM 488 C THR A 34 7.580 -2.714 2.463 1.00 0.00 C ATOM 489 O THR A 34 7.271 -3.727 3.091 1.00 0.00 O ATOM 490 CB THR A 34 8.230 -1.298 4.412 1.00 0.00 C ATOM 491 OG1 THR A 34 7.979 -0.068 5.101 1.00 0.00 O ATOM 492 CG2 THR A 34 9.722 -1.444 4.152 1.00 0.00 C ATOM 0 H THR A 34 5.579 -1.531 4.039 1.00 0.00 H new ATOM 0 HA THR A 34 7.846 -0.584 2.412 1.00 0.00 H new ATOM 0 HB THR A 34 7.901 -2.134 5.030 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.485 -0.054 5.940 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.261 -1.416 5.099 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.913 -2.394 3.653 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.062 -0.626 3.517 1.00 0.00 H new ATOM 500 N CYS A 35 8.050 -2.749 1.221 1.00 0.00 N ATOM 501 CA CYS A 35 8.234 -4.007 0.507 1.00 0.00 C ATOM 502 C CYS A 35 9.534 -3.996 -0.291 1.00 0.00 C ATOM 503 O CYS A 35 9.626 -3.350 -1.334 1.00 0.00 O ATOM 504 CB CYS A 35 7.050 -4.266 -0.426 1.00 0.00 C ATOM 505 SG CYS A 35 6.695 -6.017 -0.701 1.00 0.00 S ATOM 0 H CYS A 35 8.311 -1.920 0.687 1.00 0.00 H new ATOM 0 HA CYS A 35 8.289 -4.809 1.243 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.163 -3.787 -0.011 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.248 -3.791 -1.387 1.00 0.00 H new ATOM 0 HG CYS A 35 5.889 -6.143 -1.714 1.00 0.00 H new ATOM 511 N GLU A 36 10.535 -4.713 0.209 1.00 0.00 N ATOM 512 CA GLU A 36 11.831 -4.782 -0.457 1.00 0.00 C ATOM 513 C GLU A 36 11.923 -6.024 -1.339 1.00 0.00 C ATOM 514 O GLU A 36 11.122 -6.951 -1.212 1.00 0.00 O ATOM 515 CB GLU A 36 12.960 -4.791 0.575 1.00 0.00 C ATOM 516 CG GLU A 36 14.343 -4.640 -0.034 1.00 0.00 C ATOM 517 CD GLU A 36 15.321 -3.953 0.899 1.00 0.00 C ATOM 518 OE1 GLU A 36 15.312 -2.705 0.953 1.00 0.00 O ATOM 519 OE2 GLU A 36 16.094 -4.663 1.575 1.00 0.00 O ATOM 0 H GLU A 36 10.474 -5.254 1.072 1.00 0.00 H new ATOM 0 HA GLU A 36 11.934 -3.900 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.796 -3.983 1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.920 -5.724 1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.729 -5.625 -0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.268 -4.069 -0.959 1.00 0.00 H new ATOM 526 N LEU A 37 12.906 -6.035 -2.233 1.00 0.00 N ATOM 527 CA LEU A 37 13.104 -7.162 -3.138 1.00 0.00 C ATOM 528 C LEU A 37 14.580 -7.538 -3.224 1.00 0.00 C ATOM 529 O LEU A 37 15.455 -6.731 -2.911 1.00 0.00 O ATOM 530 CB LEU A 37 12.570 -6.823 -4.531 1.00 0.00 C ATOM 531 CG LEU A 37 11.161 -6.233 -4.585 1.00 0.00 C ATOM 532 CD1 LEU A 37 10.841 -5.741 -5.988 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.135 -7.261 -4.131 1.00 0.00 C ATOM 0 H LEU A 37 13.578 -5.277 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 37 12.553 -8.015 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.256 -6.117 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.586 -7.730 -5.135 1.00 0.00 H new ATOM 0 HG LEU A 37 11.118 -5.382 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.834 -5.324 -6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.557 -4.972 -6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.902 -6.574 -6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.138 -6.824 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.179 -8.132 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.352 -7.564 -3.107 1.00 0.00 H new ATOM 545 N CYS A 38 14.847 -8.767 -3.652 1.00 0.00 N ATOM 546 CA CYS A 38 16.218 -9.250 -3.781 1.00 0.00 C ATOM 547 C CYS A 38 16.801 -8.876 -5.140 1.00 0.00 C ATOM 548 O CYS A 38 17.873 -9.348 -5.517 1.00 0.00 O ATOM 549 CB CYS A 38 16.266 -10.767 -3.591 1.00 0.00 C ATOM 550 SG CYS A 38 15.297 -11.693 -4.805 1.00 0.00 S ATOM 0 H CYS A 38 14.133 -9.447 -3.915 1.00 0.00 H new ATOM 0 HA CYS A 38 16.819 -8.775 -3.006 1.00 0.00 H new ATOM 0 HB2 CYS A 38 17.304 -11.096 -3.643 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.904 -11.009 -2.592 1.00 0.00 H new ATOM 0 HG CYS A 38 15.402 -12.966 -4.564 1.00 0.00 H new ATOM 556 N ARG A 39 16.086 -8.027 -5.871 1.00 0.00 N ATOM 557 CA ARG A 39 16.531 -7.592 -7.189 1.00 0.00 C ATOM 558 C ARG A 39 16.101 -6.154 -7.461 1.00 0.00 C ATOM 559 O ARG A 39 14.966 -5.758 -7.193 1.00 0.00 O ATOM 560 CB ARG A 39 15.970 -8.517 -8.271 1.00 0.00 C ATOM 561 CG ARG A 39 16.785 -9.784 -8.472 1.00 0.00 C ATOM 562 CD ARG A 39 18.196 -9.469 -8.942 1.00 0.00 C ATOM 563 NE ARG A 39 18.906 -10.667 -9.384 1.00 0.00 N ATOM 564 CZ ARG A 39 19.554 -11.483 -8.561 1.00 0.00 C ATOM 565 NH1 ARG A 39 19.583 -11.233 -7.260 1.00 0.00 N ATOM 566 NH2 ARG A 39 20.176 -12.554 -9.040 1.00 0.00 N ATOM 0 H ARG A 39 15.196 -7.627 -5.573 1.00 0.00 H new ATOM 0 HA ARG A 39 17.620 -7.637 -7.210 1.00 0.00 H new ATOM 0 HB2 ARG A 39 14.948 -8.790 -8.009 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.923 -7.972 -9.214 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.828 -10.343 -7.537 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.291 -10.424 -9.203 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.154 -8.750 -9.760 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.751 -8.997 -8.131 1.00 0.00 H new ATOM 0 HE ARG A 39 18.904 -10.889 -10.380 1.00 0.00 H new ATOM 0 HH11 ARG A 39 19.107 -10.412 -6.888 1.00 0.00 H new ATOM 0 HH12 ARG A 39 20.082 -11.862 -6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.156 -12.750 -10.041 1.00 0.00 H new ATOM 0 HH22 ARG A 39 20.674 -13.180 -8.407 1.00 0.00 H new ATOM 580 N PRO A 40 17.028 -5.351 -8.006 1.00 0.00 N ATOM 581 CA PRO A 40 16.768 -3.945 -8.326 1.00 0.00 C ATOM 582 C PRO A 40 15.801 -3.785 -9.495 1.00 0.00 C ATOM 583 O PRO A 40 14.828 -3.037 -9.410 1.00 0.00 O ATOM 584 CB PRO A 40 18.151 -3.404 -8.698 1.00 0.00 C ATOM 585 CG PRO A 40 18.911 -4.598 -9.163 1.00 0.00 C ATOM 586 CD PRO A 40 18.401 -5.756 -8.352 1.00 0.00 C ATOM 0 HA PRO A 40 16.298 -3.418 -7.495 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.083 -2.648 -9.480 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.636 -2.934 -7.842 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.755 -4.769 -10.228 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.982 -4.460 -9.016 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.414 -6.684 -8.924 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.008 -5.921 -7.462 1.00 0.00 H new ATOM 594 N TRP A 41 16.076 -4.493 -10.584 1.00 0.00 N ATOM 595 CA TRP A 41 15.230 -4.430 -11.770 1.00 0.00 C ATOM 596 C TRP A 41 14.012 -5.335 -11.619 1.00 0.00 C ATOM 597 O TRP A 41 13.340 -5.655 -12.599 1.00 0.00 O ATOM 598 CB TRP A 41 16.027 -4.830 -13.013 1.00 0.00 C ATOM 599 CG TRP A 41 17.133 -5.799 -12.723 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.454 -5.504 -12.540 1.00 0.00 C ATOM 601 CD2 TRP A 41 17.014 -7.218 -12.583 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.164 -6.655 -12.296 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.303 -7.720 -12.316 1.00 0.00 C ATOM 604 CE3 TRP A 41 15.944 -8.114 -12.655 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.548 -9.077 -12.123 1.00 0.00 C ATOM 606 CZ3 TRP A 41 16.189 -9.461 -12.464 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.482 -9.932 -12.200 1.00 0.00 C ATOM 0 H TRP A 41 16.878 -5.117 -10.671 1.00 0.00 H new ATOM 0 HA TRP A 41 14.884 -3.403 -11.884 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.349 -5.271 -13.744 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.449 -3.934 -13.469 1.00 0.00 H new ATOM 0 HD1 TRP A 41 18.878 -4.512 -12.581 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.169 -6.708 -12.127 1.00 0.00 H new ATOM 0 HE3 TRP A 41 14.944 -7.760 -12.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.544 -9.442 -11.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.370 -10.162 -12.519 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.641 -10.990 -12.054 1.00 0.00 H new ATOM 618 N ALA A 42 13.734 -5.745 -10.386 1.00 0.00 N ATOM 619 CA ALA A 42 12.596 -6.612 -10.108 1.00 0.00 C ATOM 620 C ALA A 42 11.302 -5.809 -10.023 1.00 0.00 C ATOM 621 O ALA A 42 11.097 -5.044 -9.081 1.00 0.00 O ATOM 622 CB ALA A 42 12.825 -7.386 -8.818 1.00 0.00 C ATOM 0 H ALA A 42 14.281 -5.491 -9.564 1.00 0.00 H new ATOM 0 HA ALA A 42 12.500 -7.320 -10.931 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.967 -8.030 -8.623 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.722 -7.997 -8.915 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.950 -6.687 -7.991 1.00 0.00 H new ATOM 628 N GLU A 43 10.434 -5.988 -11.013 1.00 0.00 N ATOM 629 CA GLU A 43 9.161 -5.278 -11.049 1.00 0.00 C ATOM 630 C GLU A 43 8.112 -5.997 -10.205 1.00 0.00 C ATOM 631 O GLU A 43 7.977 -7.219 -10.271 1.00 0.00 O ATOM 632 CB GLU A 43 8.667 -5.144 -12.491 1.00 0.00 C ATOM 633 CG GLU A 43 7.276 -4.543 -12.605 1.00 0.00 C ATOM 634 CD GLU A 43 6.995 -3.979 -13.984 1.00 0.00 C ATOM 635 OE1 GLU A 43 7.778 -3.124 -14.447 1.00 0.00 O ATOM 636 OE2 GLU A 43 5.992 -4.395 -14.601 1.00 0.00 O ATOM 0 H GLU A 43 10.589 -6.618 -11.800 1.00 0.00 H new ATOM 0 HA GLU A 43 9.318 -4.283 -10.632 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.368 -4.524 -13.050 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.668 -6.128 -12.959 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.534 -5.307 -12.371 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.164 -3.752 -11.863 1.00 0.00 H new ATOM 643 N VAL A 44 7.373 -5.229 -9.411 1.00 0.00 N ATOM 644 CA VAL A 44 6.336 -5.792 -8.554 1.00 0.00 C ATOM 645 C VAL A 44 4.958 -5.269 -8.943 1.00 0.00 C ATOM 646 O VAL A 44 4.839 -4.296 -9.689 1.00 0.00 O ATOM 647 CB VAL A 44 6.596 -5.467 -7.071 1.00 0.00 C ATOM 648 CG1 VAL A 44 7.992 -5.913 -6.664 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.406 -3.980 -6.810 1.00 0.00 C ATOM 0 H VAL A 44 7.473 -4.216 -9.343 1.00 0.00 H new ATOM 0 HA VAL A 44 6.364 -6.873 -8.692 1.00 0.00 H new ATOM 0 HB VAL A 44 5.874 -6.014 -6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.158 -5.675 -5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.088 -6.989 -6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.732 -5.395 -7.274 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.594 -3.768 -5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.103 -3.411 -7.424 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.385 -3.694 -7.061 1.00 0.00 H new ATOM 659 N ARG A 45 3.918 -5.920 -8.433 1.00 0.00 N ATOM 660 CA ARG A 45 2.547 -5.521 -8.727 1.00 0.00 C ATOM 661 C ARG A 45 1.638 -5.774 -7.528 1.00 0.00 C ATOM 662 O ARG A 45 1.584 -6.885 -7.000 1.00 0.00 O ATOM 663 CB ARG A 45 2.023 -6.282 -9.947 1.00 0.00 C ATOM 664 CG ARG A 45 0.566 -5.991 -10.266 1.00 0.00 C ATOM 665 CD ARG A 45 0.096 -6.769 -11.485 1.00 0.00 C ATOM 666 NE ARG A 45 0.698 -6.269 -12.718 1.00 0.00 N ATOM 667 CZ ARG A 45 0.825 -6.998 -13.822 1.00 0.00 C ATOM 668 NH1 ARG A 45 0.395 -8.252 -13.845 1.00 0.00 N ATOM 669 NH2 ARG A 45 1.383 -6.472 -14.905 1.00 0.00 N ATOM 0 H ARG A 45 3.999 -6.727 -7.814 1.00 0.00 H new ATOM 0 HA ARG A 45 2.544 -4.453 -8.944 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.634 -6.028 -10.813 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.142 -7.352 -9.776 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.054 -6.249 -9.407 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.437 -4.923 -10.443 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.346 -7.823 -11.361 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.990 -6.705 -11.560 1.00 0.00 H new ATOM 0 HE ARG A 45 1.040 -5.308 -12.733 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.034 -8.659 -13.014 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.494 -8.809 -14.693 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.715 -5.508 -14.891 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.480 -7.032 -15.752 1.00 0.00 H new ATOM 683 N TRP A 46 0.926 -4.736 -7.103 1.00 0.00 N ATOM 684 CA TRP A 46 0.019 -4.845 -5.966 1.00 0.00 C ATOM 685 C TRP A 46 -1.381 -5.240 -6.422 1.00 0.00 C ATOM 686 O TRP A 46 -1.913 -4.682 -7.383 1.00 0.00 O ATOM 687 CB TRP A 46 -0.034 -3.522 -5.201 1.00 0.00 C ATOM 688 CG TRP A 46 1.296 -3.097 -4.657 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.330 -2.545 -5.358 1.00 0.00 C ATOM 690 CD2 TRP A 46 1.735 -3.190 -3.297 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.386 -2.290 -4.516 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.045 -2.676 -3.246 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.148 -3.655 -2.117 1.00 0.00 C ATOM 694 CZ2 TRP A 46 3.776 -2.617 -2.062 1.00 0.00 C ATOM 695 CZ3 TRP A 46 1.874 -3.596 -0.944 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.177 -3.080 -0.923 1.00 0.00 C ATOM 0 H TRP A 46 0.959 -3.810 -7.529 1.00 0.00 H new ATOM 0 HA TRP A 46 0.398 -5.624 -5.304 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.414 -2.743 -5.862 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.742 -3.615 -4.378 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.319 -2.339 -6.418 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.278 -1.880 -4.792 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.144 -4.053 -2.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.780 -2.220 -2.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 1.430 -3.954 -0.027 1.00 0.00 H new ATOM 0 HH2 TRP A 46 3.719 -3.047 0.011 1.00 0.00 H new ATOM 707 N THR A 47 -1.975 -6.205 -5.727 1.00 0.00 N ATOM 708 CA THR A 47 -3.314 -6.675 -6.062 1.00 0.00 C ATOM 709 C THR A 47 -4.253 -6.553 -4.868 1.00 0.00 C ATOM 710 O THR A 47 -3.915 -6.956 -3.754 1.00 0.00 O ATOM 711 CB THR A 47 -3.293 -8.140 -6.537 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.639 -8.961 -5.562 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.579 -8.265 -7.874 1.00 0.00 C ATOM 0 H THR A 47 -1.550 -6.676 -4.929 1.00 0.00 H new ATOM 0 HA THR A 47 -3.677 -6.044 -6.873 1.00 0.00 H new ATOM 0 HB THR A 47 -4.323 -8.474 -6.661 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.240 -8.393 -4.870 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.577 -9.308 -8.189 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.096 -7.662 -8.620 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.552 -7.915 -7.772 1.00 0.00 H new ATOM 721 N LYS A 48 -5.436 -5.996 -5.106 1.00 0.00 N ATOM 722 CA LYS A 48 -6.427 -5.822 -4.051 1.00 0.00 C ATOM 723 C LYS A 48 -7.655 -6.689 -4.310 1.00 0.00 C ATOM 724 O LYS A 48 -8.462 -6.392 -5.190 1.00 0.00 O ATOM 725 CB LYS A 48 -6.840 -4.352 -3.947 1.00 0.00 C ATOM 726 CG LYS A 48 -7.272 -3.938 -2.551 1.00 0.00 C ATOM 727 CD LYS A 48 -7.276 -2.427 -2.394 1.00 0.00 C ATOM 728 CE LYS A 48 -8.287 -1.978 -1.351 1.00 0.00 C ATOM 729 NZ LYS A 48 -9.686 -2.253 -1.780 1.00 0.00 N ATOM 0 H LYS A 48 -5.732 -5.657 -6.021 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.976 -6.133 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.005 -3.726 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.658 -4.163 -4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.269 -4.329 -2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.600 -4.379 -1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.281 -2.087 -2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.508 -1.961 -3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.089 -2.490 -0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.167 -0.911 -1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.332 -1.595 -1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.765 -2.126 -2.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.939 -3.231 -1.532 1.00 0.00 H new ATOM 743 N ASP A 49 -7.790 -7.761 -3.536 1.00 0.00 N ATOM 744 CA ASP A 49 -8.922 -8.670 -3.680 1.00 0.00 C ATOM 745 C ASP A 49 -8.861 -9.405 -5.016 1.00 0.00 C ATOM 746 O ASP A 49 -9.862 -9.511 -5.723 1.00 0.00 O ATOM 747 CB ASP A 49 -10.239 -7.901 -3.567 1.00 0.00 C ATOM 748 CG ASP A 49 -10.311 -7.059 -2.308 1.00 0.00 C ATOM 749 OD1 ASP A 49 -9.989 -7.585 -1.222 1.00 0.00 O ATOM 750 OD2 ASP A 49 -10.688 -5.873 -2.409 1.00 0.00 O ATOM 0 H ASP A 49 -7.130 -8.022 -2.803 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.870 -9.406 -2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.356 -7.257 -4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.070 -8.606 -3.577 1.00 0.00 H new ATOM 755 N GLY A 50 -7.679 -9.911 -5.354 1.00 0.00 N ATOM 756 CA GLY A 50 -7.510 -10.628 -6.604 1.00 0.00 C ATOM 757 C GLY A 50 -7.241 -9.701 -7.773 1.00 0.00 C ATOM 758 O GLY A 50 -6.549 -10.072 -8.720 1.00 0.00 O ATOM 0 H GLY A 50 -6.836 -9.837 -4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.684 -11.333 -6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.407 -11.213 -6.807 1.00 0.00 H new ATOM 762 N GLU A 51 -7.791 -8.493 -7.707 1.00 0.00 N ATOM 763 CA GLU A 51 -7.608 -7.512 -8.770 1.00 0.00 C ATOM 764 C GLU A 51 -6.304 -6.743 -8.583 1.00 0.00 C ATOM 765 O GLU A 51 -5.730 -6.732 -7.495 1.00 0.00 O ATOM 766 CB GLU A 51 -8.787 -6.537 -8.803 1.00 0.00 C ATOM 767 CG GLU A 51 -9.994 -7.067 -9.559 1.00 0.00 C ATOM 768 CD GLU A 51 -9.865 -6.896 -11.060 1.00 0.00 C ATOM 769 OE1 GLU A 51 -8.984 -7.547 -11.658 1.00 0.00 O ATOM 770 OE2 GLU A 51 -10.646 -6.109 -11.636 1.00 0.00 O ATOM 0 H GLU A 51 -8.367 -8.170 -6.929 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.561 -8.047 -9.718 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.083 -6.303 -7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.463 -5.603 -9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.127 -8.124 -9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.889 -6.550 -9.214 1.00 0.00 H new ATOM 777 N GLU A 52 -5.842 -6.103 -9.652 1.00 0.00 N ATOM 778 CA GLU A 52 -4.604 -5.333 -9.606 1.00 0.00 C ATOM 779 C GLU A 52 -4.890 -3.860 -9.326 1.00 0.00 C ATOM 780 O GLU A 52 -5.805 -3.273 -9.903 1.00 0.00 O ATOM 781 CB GLU A 52 -3.840 -5.474 -10.924 1.00 0.00 C ATOM 782 CG GLU A 52 -2.712 -4.468 -11.084 1.00 0.00 C ATOM 783 CD GLU A 52 -3.159 -3.194 -11.772 1.00 0.00 C ATOM 784 OE1 GLU A 52 -4.380 -2.932 -11.803 1.00 0.00 O ATOM 785 OE2 GLU A 52 -2.288 -2.457 -12.280 1.00 0.00 O ATOM 0 H GLU A 52 -6.306 -6.102 -10.560 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.991 -5.727 -8.795 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.429 -6.481 -10.990 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.538 -5.359 -11.753 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.307 -4.223 -10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.904 -4.922 -11.658 1.00 0.00 H new ATOM 792 N VAL A 53 -4.101 -3.270 -8.434 1.00 0.00 N ATOM 793 CA VAL A 53 -4.267 -1.866 -8.076 1.00 0.00 C ATOM 794 C VAL A 53 -3.928 -0.956 -9.251 1.00 0.00 C ATOM 795 O VAL A 53 -2.976 -1.206 -9.990 1.00 0.00 O ATOM 796 CB VAL A 53 -3.384 -1.485 -6.874 1.00 0.00 C ATOM 797 CG1 VAL A 53 -3.581 -2.470 -5.732 1.00 0.00 C ATOM 798 CG2 VAL A 53 -1.921 -1.420 -7.287 1.00 0.00 C ATOM 0 H VAL A 53 -3.340 -3.742 -7.946 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.314 -1.730 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.683 -0.497 -6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.949 -2.184 -4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.625 -2.461 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.311 -3.472 -6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.311 -1.149 -6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.606 -2.393 -7.663 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.797 -0.671 -8.069 1.00 0.00 H new ATOM 808 N VAL A 54 -4.714 0.103 -9.418 1.00 0.00 N ATOM 809 CA VAL A 54 -4.496 1.053 -10.503 1.00 0.00 C ATOM 810 C VAL A 54 -4.182 2.443 -9.961 1.00 0.00 C ATOM 811 O VAL A 54 -4.885 2.953 -9.088 1.00 0.00 O ATOM 812 CB VAL A 54 -5.724 1.140 -11.428 1.00 0.00 C ATOM 813 CG1 VAL A 54 -6.977 1.454 -10.624 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.502 2.183 -12.512 1.00 0.00 C ATOM 0 H VAL A 54 -5.507 0.325 -8.816 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.644 0.689 -11.077 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.863 0.172 -11.910 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.835 1.512 -11.294 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.144 0.667 -9.888 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.852 2.408 -10.113 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.380 2.231 -13.156 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.337 3.157 -12.051 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.630 1.910 -13.107 1.00 0.00 H new ATOM 824 N GLU A 55 -3.123 3.052 -10.485 1.00 0.00 N ATOM 825 CA GLU A 55 -2.717 4.384 -10.053 1.00 0.00 C ATOM 826 C GLU A 55 -3.916 5.325 -9.991 1.00 0.00 C ATOM 827 O GLU A 55 -4.848 5.213 -10.786 1.00 0.00 O ATOM 828 CB GLU A 55 -1.658 4.951 -11.001 1.00 0.00 C ATOM 829 CG GLU A 55 -0.238 4.554 -10.635 1.00 0.00 C ATOM 830 CD GLU A 55 0.667 4.442 -11.847 1.00 0.00 C ATOM 831 OE1 GLU A 55 1.277 5.463 -12.227 1.00 0.00 O ATOM 832 OE2 GLU A 55 0.765 3.334 -12.414 1.00 0.00 O ATOM 0 H GLU A 55 -2.531 2.644 -11.209 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.291 4.300 -9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.871 4.612 -12.015 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.732 6.038 -11.006 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.175 5.290 -9.945 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.256 3.599 -10.110 1.00 0.00 H new ATOM 839 N SER A 56 -3.884 6.253 -9.039 1.00 0.00 N ATOM 840 CA SER A 56 -4.970 7.211 -8.869 1.00 0.00 C ATOM 841 C SER A 56 -4.570 8.318 -7.898 1.00 0.00 C ATOM 842 O SER A 56 -3.563 8.230 -7.196 1.00 0.00 O ATOM 843 CB SER A 56 -6.228 6.504 -8.362 1.00 0.00 C ATOM 844 OG SER A 56 -5.906 5.271 -7.741 1.00 0.00 O ATOM 0 H SER A 56 -3.118 6.361 -8.374 1.00 0.00 H new ATOM 0 HA SER A 56 -5.180 7.660 -9.840 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.749 7.147 -7.652 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.910 6.328 -9.194 1.00 0.00 H new ATOM 0 HG SER A 56 -6.727 4.840 -7.425 1.00 0.00 H new ATOM 850 N PRO A 57 -5.378 9.388 -7.857 1.00 0.00 N ATOM 851 CA PRO A 57 -5.130 10.534 -6.977 1.00 0.00 C ATOM 852 C PRO A 57 -5.345 10.193 -5.507 1.00 0.00 C ATOM 853 O PRO A 57 -5.252 11.060 -4.638 1.00 0.00 O ATOM 854 CB PRO A 57 -6.159 11.568 -7.442 1.00 0.00 C ATOM 855 CG PRO A 57 -7.256 10.763 -8.049 1.00 0.00 C ATOM 856 CD PRO A 57 -6.596 9.561 -8.666 1.00 0.00 C ATOM 0 HA PRO A 57 -4.099 10.881 -7.040 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.523 12.168 -6.608 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.727 12.259 -8.166 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.984 10.464 -7.295 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.794 11.341 -8.800 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.238 8.681 -8.619 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.360 9.727 -9.717 1.00 0.00 H new ATOM 864 N ALA A 58 -5.634 8.924 -5.234 1.00 0.00 N ATOM 865 CA ALA A 58 -5.859 8.468 -3.868 1.00 0.00 C ATOM 866 C ALA A 58 -4.879 7.364 -3.489 1.00 0.00 C ATOM 867 O ALA A 58 -4.814 6.948 -2.332 1.00 0.00 O ATOM 868 CB ALA A 58 -7.292 7.984 -3.704 1.00 0.00 C ATOM 0 H ALA A 58 -5.718 8.194 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.692 9.311 -3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.447 7.646 -2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.979 8.801 -3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.478 7.158 -4.390 1.00 0.00 H new ATOM 874 N LEU A 59 -4.118 6.892 -4.470 1.00 0.00 N ATOM 875 CA LEU A 59 -3.140 5.834 -4.240 1.00 0.00 C ATOM 876 C LEU A 59 -1.858 6.098 -5.023 1.00 0.00 C ATOM 877 O LEU A 59 -1.828 5.970 -6.248 1.00 0.00 O ATOM 878 CB LEU A 59 -3.724 4.477 -4.636 1.00 0.00 C ATOM 879 CG LEU A 59 -2.768 3.287 -4.558 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.522 2.021 -4.183 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.037 3.102 -5.881 1.00 0.00 C ATOM 0 H LEU A 59 -4.159 7.225 -5.433 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.898 5.821 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.581 4.272 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.100 4.549 -5.657 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.029 3.489 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.825 1.184 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.999 2.156 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.283 1.814 -4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.361 2.250 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.762 2.922 -6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.465 4.001 -6.109 1.00 0.00 H new ATOM 893 N LEU A 60 -0.799 6.464 -4.309 1.00 0.00 N ATOM 894 CA LEU A 60 0.488 6.743 -4.936 1.00 0.00 C ATOM 895 C LEU A 60 1.441 5.563 -4.773 1.00 0.00 C ATOM 896 O LEU A 60 1.678 5.093 -3.659 1.00 0.00 O ATOM 897 CB LEU A 60 1.109 8.003 -4.332 1.00 0.00 C ATOM 898 CG LEU A 60 0.247 9.265 -4.377 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.924 10.401 -3.626 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.035 9.668 -5.817 1.00 0.00 C ATOM 0 H LEU A 60 -0.806 6.574 -3.295 1.00 0.00 H new ATOM 0 HA LEU A 60 0.318 6.904 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.361 7.797 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.045 8.208 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.703 9.050 -3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.296 11.291 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.073 10.112 -2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.889 10.616 -4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.650 10.568 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.906 9.864 -6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.564 8.861 -6.324 1.00 0.00 H new ATOM 912 N LEU A 61 1.986 5.091 -5.888 1.00 0.00 N ATOM 913 CA LEU A 61 2.916 3.967 -5.869 1.00 0.00 C ATOM 914 C LEU A 61 4.360 4.456 -5.848 1.00 0.00 C ATOM 915 O LEU A 61 4.853 5.006 -6.833 1.00 0.00 O ATOM 916 CB LEU A 61 2.686 3.068 -7.085 1.00 0.00 C ATOM 917 CG LEU A 61 1.298 2.437 -7.201 1.00 0.00 C ATOM 918 CD1 LEU A 61 1.229 1.518 -8.411 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.950 1.676 -5.930 1.00 0.00 C ATOM 0 H LEU A 61 1.800 5.469 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 61 2.734 3.392 -4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.873 3.654 -7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.426 2.268 -7.065 1.00 0.00 H new ATOM 0 HG LEU A 61 0.567 3.235 -7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.234 1.078 -8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.433 2.091 -9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.970 0.725 -8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.041 1.234 -6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.684 0.887 -5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.957 2.361 -5.082 1.00 0.00 H new ATOM 931 N GLN A 62 5.034 4.249 -4.721 1.00 0.00 N ATOM 932 CA GLN A 62 6.423 4.667 -4.574 1.00 0.00 C ATOM 933 C GLN A 62 7.375 3.530 -4.929 1.00 0.00 C ATOM 934 O GLN A 62 7.096 2.363 -4.650 1.00 0.00 O ATOM 935 CB GLN A 62 6.686 5.141 -3.144 1.00 0.00 C ATOM 936 CG GLN A 62 5.954 6.424 -2.784 1.00 0.00 C ATOM 937 CD GLN A 62 5.957 7.435 -3.914 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.987 7.674 -4.546 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.802 8.035 -4.175 1.00 0.00 N ATOM 0 H GLN A 62 4.641 3.795 -3.897 1.00 0.00 H new ATOM 0 HA GLN A 62 6.602 5.493 -5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.388 4.356 -2.449 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.757 5.294 -3.012 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.924 6.187 -2.516 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.418 6.868 -1.903 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.973 7.807 -3.626 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.743 8.724 -4.924 1.00 0.00 H new ATOM 948 N LYS A 63 8.499 3.876 -5.546 1.00 0.00 N ATOM 949 CA LYS A 63 9.494 2.885 -5.938 1.00 0.00 C ATOM 950 C LYS A 63 10.902 3.363 -5.598 1.00 0.00 C ATOM 951 O LYS A 63 11.351 4.398 -6.090 1.00 0.00 O ATOM 952 CB LYS A 63 9.391 2.595 -7.437 1.00 0.00 C ATOM 953 CG LYS A 63 7.980 2.273 -7.899 1.00 0.00 C ATOM 954 CD LYS A 63 7.856 2.352 -9.411 1.00 0.00 C ATOM 955 CE LYS A 63 6.424 2.116 -9.866 1.00 0.00 C ATOM 956 NZ LYS A 63 6.207 2.567 -11.269 1.00 0.00 N ATOM 0 H LYS A 63 8.744 4.837 -5.786 1.00 0.00 H new ATOM 0 HA LYS A 63 9.296 1.969 -5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.758 3.459 -7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.045 1.758 -7.682 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.705 1.273 -7.562 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.278 2.968 -7.439 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.191 3.331 -9.754 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.511 1.612 -9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.187 1.055 -9.785 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.740 2.647 -9.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.219 2.389 -11.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.409 3.585 -11.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.841 2.042 -11.904 1.00 0.00 H new ATOM 970 N GLU A 64 11.593 2.602 -4.755 1.00 0.00 N ATOM 971 CA GLU A 64 12.951 2.950 -4.351 1.00 0.00 C ATOM 972 C GLU A 64 13.978 2.196 -5.191 1.00 0.00 C ATOM 973 O GLU A 64 13.625 1.485 -6.133 1.00 0.00 O ATOM 974 CB GLU A 64 13.161 2.638 -2.868 1.00 0.00 C ATOM 975 CG GLU A 64 14.105 3.603 -2.171 1.00 0.00 C ATOM 976 CD GLU A 64 13.777 3.780 -0.701 1.00 0.00 C ATOM 977 OE1 GLU A 64 12.577 3.871 -0.367 1.00 0.00 O ATOM 978 OE2 GLU A 64 14.721 3.829 0.115 1.00 0.00 O ATOM 0 H GLU A 64 11.236 1.742 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 64 13.089 4.019 -4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.196 2.657 -2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.553 1.625 -2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.128 3.240 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.061 4.572 -2.669 1.00 0.00 H new ATOM 985 N ASP A 65 15.250 2.357 -4.844 1.00 0.00 N ATOM 986 CA ASP A 65 16.329 1.692 -5.564 1.00 0.00 C ATOM 987 C ASP A 65 16.042 0.201 -5.719 1.00 0.00 C ATOM 988 O ASP A 65 15.796 -0.284 -6.824 1.00 0.00 O ATOM 989 CB ASP A 65 17.659 1.894 -4.835 1.00 0.00 C ATOM 990 CG ASP A 65 18.838 1.953 -5.786 1.00 0.00 C ATOM 991 OD1 ASP A 65 18.830 1.205 -6.787 1.00 0.00 O ATOM 992 OD2 ASP A 65 19.769 2.745 -5.530 1.00 0.00 O ATOM 0 H ASP A 65 15.559 2.943 -4.068 1.00 0.00 H new ATOM 0 HA ASP A 65 16.396 2.136 -6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.616 2.817 -4.256 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.808 1.080 -4.126 1.00 0.00 H new ATOM 997 N THR A 66 16.077 -0.522 -4.604 1.00 0.00 N ATOM 998 CA THR A 66 15.822 -1.957 -4.615 1.00 0.00 C ATOM 999 C THR A 66 14.606 -2.307 -3.765 1.00 0.00 C ATOM 1000 O THR A 66 14.257 -3.478 -3.615 1.00 0.00 O ATOM 1001 CB THR A 66 17.040 -2.747 -4.099 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.618 -2.076 -2.974 1.00 0.00 O ATOM 1003 CG2 THR A 66 18.085 -2.907 -5.193 1.00 0.00 C ATOM 0 H THR A 66 16.280 -0.137 -3.681 1.00 0.00 H new ATOM 0 HA THR A 66 15.629 -2.236 -5.651 1.00 0.00 H new ATOM 0 HB THR A 66 16.701 -3.737 -3.796 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.390 -2.585 -2.651 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.935 -3.468 -4.805 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.650 -3.444 -6.036 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.419 -1.924 -5.523 1.00 0.00 H new ATOM 1011 N VAL A 67 13.963 -1.284 -3.211 1.00 0.00 N ATOM 1012 CA VAL A 67 12.784 -1.483 -2.378 1.00 0.00 C ATOM 1013 C VAL A 67 11.610 -0.649 -2.878 1.00 0.00 C ATOM 1014 O VAL A 67 11.786 0.483 -3.327 1.00 0.00 O ATOM 1015 CB VAL A 67 13.068 -1.121 -0.908 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.811 0.203 -0.818 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.772 -1.069 -0.112 1.00 0.00 C ATOM 0 H VAL A 67 14.239 -0.309 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 67 12.527 -2.540 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 67 13.702 -1.896 -0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 67 14.003 0.442 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.758 0.126 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.205 0.991 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.992 -0.812 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.112 -0.315 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.283 -2.043 -0.149 1.00 0.00 H new ATOM 1027 N ARG A 68 10.411 -1.217 -2.796 1.00 0.00 N ATOM 1028 CA ARG A 68 9.207 -0.526 -3.242 1.00 0.00 C ATOM 1029 C ARG A 68 8.325 -0.149 -2.054 1.00 0.00 C ATOM 1030 O ARG A 68 8.399 -0.769 -0.993 1.00 0.00 O ATOM 1031 CB ARG A 68 8.420 -1.404 -4.216 1.00 0.00 C ATOM 1032 CG ARG A 68 9.236 -1.871 -5.410 1.00 0.00 C ATOM 1033 CD ARG A 68 9.178 -0.867 -6.551 1.00 0.00 C ATOM 1034 NE ARG A 68 9.854 -1.360 -7.748 1.00 0.00 N ATOM 1035 CZ ARG A 68 11.174 -1.436 -7.869 1.00 0.00 C ATOM 1036 NH1 ARG A 68 11.957 -1.054 -6.869 1.00 0.00 N ATOM 1037 NH2 ARG A 68 11.714 -1.896 -8.990 1.00 0.00 N ATOM 0 H ARG A 68 10.248 -2.153 -2.425 1.00 0.00 H new ATOM 0 HA ARG A 68 9.511 0.388 -3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.042 -2.276 -3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.553 -0.848 -4.574 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.273 -2.021 -5.108 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.862 -2.836 -5.753 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.137 -0.646 -6.787 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.638 0.069 -6.234 1.00 0.00 H new ATOM 0 HE ARG A 68 9.280 -1.663 -8.535 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.545 -0.701 -6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.971 -1.113 -6.964 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.115 -2.192 -9.761 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.728 -1.954 -9.081 1.00 0.00 H new ATOM 1051 N ARG A 69 7.493 0.870 -2.241 1.00 0.00 N ATOM 1052 CA ARG A 69 6.599 1.330 -1.185 1.00 0.00 C ATOM 1053 C ARG A 69 5.313 1.903 -1.773 1.00 0.00 C ATOM 1054 O ARG A 69 5.319 2.482 -2.860 1.00 0.00 O ATOM 1055 CB ARG A 69 7.294 2.386 -0.324 1.00 0.00 C ATOM 1056 CG ARG A 69 8.426 1.831 0.525 1.00 0.00 C ATOM 1057 CD ARG A 69 8.733 2.739 1.706 1.00 0.00 C ATOM 1058 NE ARG A 69 9.410 3.965 1.291 1.00 0.00 N ATOM 1059 CZ ARG A 69 10.160 4.702 2.104 1.00 0.00 C ATOM 1060 NH1 ARG A 69 10.328 4.337 3.368 1.00 0.00 N ATOM 1061 NH2 ARG A 69 10.744 5.804 1.653 1.00 0.00 N ATOM 0 H ARG A 69 7.419 1.393 -3.114 1.00 0.00 H new ATOM 0 HA ARG A 69 6.343 0.474 -0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.687 3.169 -0.972 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.557 2.853 0.329 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.158 0.839 0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.320 1.715 -0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.805 2.993 2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.357 2.204 2.422 1.00 0.00 H new ATOM 0 HE ARG A 69 9.301 4.272 0.324 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.881 3.489 3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.904 4.904 3.990 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.618 6.087 0.681 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.319 6.369 2.278 1.00 0.00 H new ATOM 1075 N LEU A 70 4.212 1.738 -1.048 1.00 0.00 N ATOM 1076 CA LEU A 70 2.918 2.238 -1.497 1.00 0.00 C ATOM 1077 C LEU A 70 2.396 3.320 -0.557 1.00 0.00 C ATOM 1078 O LEU A 70 1.977 3.033 0.565 1.00 0.00 O ATOM 1079 CB LEU A 70 1.909 1.092 -1.585 1.00 0.00 C ATOM 1080 CG LEU A 70 0.433 1.491 -1.532 1.00 0.00 C ATOM 1081 CD1 LEU A 70 0.112 2.495 -2.628 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.456 0.262 -1.653 1.00 0.00 C ATOM 0 H LEU A 70 4.190 1.262 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 70 3.049 2.675 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.085 0.550 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.106 0.397 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 70 0.238 1.962 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.942 2.767 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.724 3.387 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.323 2.052 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.502 0.565 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.258 -0.238 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.245 -0.422 -0.831 1.00 0.00 H new ATOM 1094 N VAL A 71 2.422 4.564 -1.022 1.00 0.00 N ATOM 1095 CA VAL A 71 1.948 5.689 -0.225 1.00 0.00 C ATOM 1096 C VAL A 71 0.559 6.132 -0.669 1.00 0.00 C ATOM 1097 O VAL A 71 0.270 6.199 -1.864 1.00 0.00 O ATOM 1098 CB VAL A 71 2.911 6.888 -0.317 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.362 8.075 0.459 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.293 6.502 0.189 1.00 0.00 C ATOM 0 H VAL A 71 2.767 4.819 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 71 1.903 5.347 0.809 1.00 0.00 H new ATOM 0 HB VAL A 71 3.001 7.179 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.056 8.912 0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.396 8.365 0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.240 7.800 1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.960 7.361 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.224 6.183 1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.687 5.685 -0.416 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.298 6.433 0.300 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.659 6.870 0.010 1.00 0.00 C ATOM 1112 C LEU A 72 -1.943 8.226 0.648 1.00 0.00 C ATOM 1113 O LEU A 72 -2.102 8.346 1.863 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.667 5.835 0.513 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.709 4.512 -0.253 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.530 3.633 0.135 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.023 3.789 0.004 1.00 0.00 C ATOM 0 H LEU A 72 -0.074 6.382 1.294 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.760 6.970 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.446 5.620 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.661 6.281 0.483 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.639 4.729 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.577 2.696 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.599 4.148 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.568 3.424 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.036 2.850 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.123 3.584 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.853 4.415 -0.325 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.012 9.272 -0.188 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.281 10.638 0.272 1.00 0.00 C ATOM 1131 C PRO A 73 -3.713 10.812 0.764 1.00 0.00 C ATOM 1132 O PRO A 73 -4.058 11.838 1.350 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.038 11.487 -0.978 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.276 10.560 -2.119 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.834 9.202 -1.648 1.00 0.00 C ATOM 0 HA PRO A 73 -1.654 10.914 1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.715 12.341 -1.014 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.023 11.884 -0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.329 10.551 -2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.712 10.871 -2.999 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.437 8.408 -2.089 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.797 9.001 -1.917 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.544 9.803 0.523 1.00 0.00 N ATOM 1144 CA ALA A 74 -5.939 9.845 0.944 1.00 0.00 C ATOM 1145 C ALA A 74 -6.590 8.471 0.824 1.00 0.00 C ATOM 1146 O ALA A 74 -6.859 7.995 -0.279 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.708 10.869 0.123 1.00 0.00 C ATOM 0 H ALA A 74 -4.275 8.947 0.038 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.967 10.142 1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.748 10.889 0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.265 11.855 0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.663 10.598 -0.932 1.00 0.00 H new ATOM 1153 N VAL A 75 -6.840 7.838 1.965 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.460 6.518 1.988 1.00 0.00 C ATOM 1155 C VAL A 75 -8.940 6.612 2.341 1.00 0.00 C ATOM 1156 O VAL A 75 -9.428 7.673 2.731 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.761 5.587 2.995 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.262 5.841 3.006 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.351 5.767 4.386 1.00 0.00 C ATOM 0 H VAL A 75 -6.623 8.218 2.886 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.354 6.101 0.986 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.928 4.555 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.785 5.174 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.854 5.656 2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.070 6.876 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.845 5.101 5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.217 6.800 4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.414 5.529 4.364 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.648 5.496 2.203 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.073 5.453 2.508 1.00 0.00 C ATOM 1171 C GLN A 76 -11.442 4.149 3.207 1.00 0.00 C ATOM 1172 O GLN A 76 -10.825 3.109 2.969 1.00 0.00 O ATOM 1173 CB GLN A 76 -11.896 5.609 1.228 1.00 0.00 C ATOM 1174 CG GLN A 76 -11.557 6.862 0.436 1.00 0.00 C ATOM 1175 CD GLN A 76 -12.105 8.123 1.076 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -12.503 8.119 2.241 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -12.129 9.211 0.315 1.00 0.00 N ATOM 0 H GLN A 76 -9.258 4.610 1.882 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.299 6.281 3.180 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.738 4.735 0.595 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.955 5.628 1.487 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.474 6.947 0.344 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.957 6.768 -0.574 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.789 9.169 -0.646 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.487 10.089 0.691 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.449 4.210 4.070 1.00 0.00 N ATOM 1187 CA LEU A 77 -12.900 3.033 4.805 1.00 0.00 C ATOM 1188 C LEU A 77 -13.098 1.847 3.866 1.00 0.00 C ATOM 1189 O LEU A 77 -12.933 0.695 4.263 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.205 3.337 5.543 1.00 0.00 C ATOM 1191 CG LEU A 77 -14.195 4.572 6.444 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.595 4.873 6.954 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -13.233 4.376 7.607 1.00 0.00 C ATOM 0 H LEU A 77 -12.969 5.062 4.279 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.131 2.773 5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.997 3.458 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.465 2.471 6.151 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.854 5.424 5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.567 5.755 7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.258 5.058 6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.965 4.022 7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.239 5.265 8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.544 3.512 8.195 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.227 4.210 7.223 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.450 2.140 2.618 1.00 0.00 N ATOM 1206 CA GLU A 78 -13.668 1.098 1.622 1.00 0.00 C ATOM 1207 C GLU A 78 -12.351 0.431 1.235 1.00 0.00 C ATOM 1208 O GLU A 78 -12.301 -0.777 0.998 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.341 1.682 0.378 1.00 0.00 C ATOM 1210 CG GLU A 78 -15.647 2.401 0.674 1.00 0.00 C ATOM 1211 CD GLU A 78 -15.447 3.874 0.973 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -14.581 4.499 0.325 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -16.155 4.403 1.856 1.00 0.00 O ATOM 0 H GLU A 78 -13.590 3.090 2.273 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.322 0.344 2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.654 2.378 -0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.531 0.878 -0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.317 2.295 -0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.135 1.925 1.524 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.289 1.225 1.172 1.00 0.00 N ATOM 1221 CA ASP A 79 -9.971 0.713 0.814 1.00 0.00 C ATOM 1222 C ASP A 79 -9.540 -0.395 1.771 1.00 0.00 C ATOM 1223 O ASP A 79 -8.864 -1.343 1.374 1.00 0.00 O ATOM 1224 CB ASP A 79 -8.941 1.843 0.826 1.00 0.00 C ATOM 1225 CG ASP A 79 -9.104 2.787 -0.349 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -9.152 2.302 -1.499 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -9.184 4.012 -0.119 1.00 0.00 O ATOM 0 H ASP A 79 -11.314 2.226 1.364 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.031 0.297 -0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.033 2.405 1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.938 1.417 0.809 1.00 0.00 H new ATOM 1232 N SER A 80 -9.937 -0.267 3.033 1.00 0.00 N ATOM 1233 CA SER A 80 -9.588 -1.254 4.048 1.00 0.00 C ATOM 1234 C SER A 80 -9.938 -2.663 3.578 1.00 0.00 C ATOM 1235 O SER A 80 -11.105 -2.986 3.365 1.00 0.00 O ATOM 1236 CB SER A 80 -10.313 -0.947 5.359 1.00 0.00 C ATOM 1237 OG SER A 80 -11.700 -1.221 5.252 1.00 0.00 O ATOM 0 H SER A 80 -10.501 0.510 3.377 1.00 0.00 H new ATOM 0 HA SER A 80 -8.512 -1.202 4.216 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.883 -1.543 6.164 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.165 0.100 5.623 1.00 0.00 H new ATOM 0 HG SER A 80 -12.091 -0.662 4.548 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.915 -3.498 3.418 1.00 0.00 N ATOM 1244 CA GLY A 81 -9.134 -4.862 2.974 1.00 0.00 C ATOM 1245 C GLY A 81 -7.887 -5.716 3.090 1.00 0.00 C ATOM 1246 O GLY A 81 -7.300 -5.824 4.166 1.00 0.00 O ATOM 0 H GLY A 81 -7.939 -3.254 3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.933 -5.309 3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.470 -4.854 1.937 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.484 -6.326 1.980 1.00 0.00 N ATOM 1251 CA GLU A 82 -6.300 -7.177 1.964 1.00 0.00 C ATOM 1252 C GLU A 82 -5.386 -6.817 0.796 1.00 0.00 C ATOM 1253 O GLU A 82 -5.670 -7.150 -0.355 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.705 -8.650 1.873 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.715 -9.595 2.533 1.00 0.00 C ATOM 1256 CD GLU A 82 -5.901 -11.035 2.093 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -5.965 -11.278 0.870 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -5.984 -11.918 2.972 1.00 0.00 O ATOM 0 H GLU A 82 -7.959 -6.247 1.081 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.754 -7.014 2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.683 -8.779 2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.812 -8.925 0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.700 -9.275 2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.825 -9.533 3.616 1.00 0.00 H new ATOM 1265 N TYR A 83 -4.289 -6.133 1.101 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.334 -5.724 0.077 1.00 0.00 C ATOM 1267 C TYR A 83 -2.279 -6.803 -0.146 1.00 0.00 C ATOM 1268 O TYR A 83 -1.420 -7.033 0.706 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.660 -4.410 0.475 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.501 -3.186 0.187 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -4.616 -2.888 0.962 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -3.182 -2.330 -0.859 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -5.388 -1.772 0.702 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -3.947 -1.211 -1.125 1.00 0.00 C ATOM 1275 CZ TYR A 83 -5.049 -0.936 -0.342 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.815 0.177 -0.604 1.00 0.00 O ATOM 0 H TYR A 83 -4.039 -5.850 2.048 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.880 -5.577 -0.855 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.428 -4.439 1.540 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.712 -4.322 -0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.883 -3.540 1.781 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.321 -2.543 -1.475 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.252 -1.555 1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.684 -0.555 -1.942 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.440 0.659 -1.370 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.350 -7.460 -1.298 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.400 -8.515 -1.636 1.00 0.00 C ATOM 1288 C LEU A 84 -0.444 -8.056 -2.732 1.00 0.00 C ATOM 1289 O LEU A 84 -0.847 -7.857 -3.878 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.145 -9.773 -2.087 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.439 -10.806 -0.998 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -1.205 -11.646 -0.712 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.925 -10.119 0.270 1.00 0.00 C ATOM 0 H LEU A 84 -3.055 -7.281 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.817 -8.745 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.090 -9.470 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.560 -10.256 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.228 -11.468 -1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.433 -12.375 0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.901 -12.167 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.395 -10.999 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.130 -10.869 1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.157 -9.434 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.837 -9.562 0.055 1.00 0.00 H new ATOM 1305 N CYS A 85 0.825 -7.893 -2.372 1.00 0.00 N ATOM 1306 CA CYS A 85 1.840 -7.459 -3.325 1.00 0.00 C ATOM 1307 C CYS A 85 2.474 -8.655 -4.027 1.00 0.00 C ATOM 1308 O CYS A 85 3.254 -9.395 -3.428 1.00 0.00 O ATOM 1309 CB CYS A 85 2.918 -6.638 -2.616 1.00 0.00 C ATOM 1310 SG CYS A 85 4.260 -6.090 -3.696 1.00 0.00 S ATOM 0 H CYS A 85 1.175 -8.055 -1.428 1.00 0.00 H new ATOM 0 HA CYS A 85 1.354 -6.836 -4.076 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.453 -5.764 -2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.339 -7.234 -1.806 1.00 0.00 H new ATOM 0 HG CYS A 85 4.220 -4.796 -3.816 1.00 0.00 H new ATOM 1316 N GLU A 86 2.132 -8.839 -5.298 1.00 0.00 N ATOM 1317 CA GLU A 86 2.666 -9.948 -6.080 1.00 0.00 C ATOM 1318 C GLU A 86 3.772 -9.470 -7.017 1.00 0.00 C ATOM 1319 O GLU A 86 3.657 -8.416 -7.642 1.00 0.00 O ATOM 1320 CB GLU A 86 1.552 -10.616 -6.887 1.00 0.00 C ATOM 1321 CG GLU A 86 0.272 -10.831 -6.097 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.540 -12.005 -6.608 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -0.071 -13.154 -6.475 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -1.645 -11.773 -7.142 1.00 0.00 O ATOM 0 H GLU A 86 1.488 -8.235 -5.808 1.00 0.00 H new ATOM 0 HA GLU A 86 3.089 -10.676 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.331 -10.003 -7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.908 -11.578 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.520 -10.995 -5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.335 -9.927 -6.143 1.00 0.00 H new ATOM 1331 N ILE A 87 4.842 -10.253 -7.107 1.00 0.00 N ATOM 1332 CA ILE A 87 5.968 -9.910 -7.967 1.00 0.00 C ATOM 1333 C ILE A 87 6.048 -10.848 -9.167 1.00 0.00 C ATOM 1334 O ILE A 87 5.984 -10.410 -10.316 1.00 0.00 O ATOM 1335 CB ILE A 87 7.301 -9.964 -7.198 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.444 -10.346 -8.141 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.207 -10.950 -6.044 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.778 -9.752 -7.745 1.00 0.00 C ATOM 0 H ILE A 87 4.953 -11.128 -6.595 1.00 0.00 H new ATOM 0 HA ILE A 87 5.800 -8.891 -8.315 1.00 0.00 H new ATOM 0 HB ILE A 87 7.508 -8.975 -6.789 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.533 -11.432 -8.170 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.196 -10.020 -9.151 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.157 -10.977 -5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.416 -10.638 -5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.980 -11.943 -6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.541 -10.065 -8.457 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.706 -8.664 -7.744 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.049 -10.099 -6.748 1.00 0.00 H new ATOM 1350 N ASP A 88 6.187 -12.140 -8.892 1.00 0.00 N ATOM 1351 CA ASP A 88 6.274 -13.142 -9.949 1.00 0.00 C ATOM 1352 C ASP A 88 5.391 -14.345 -9.631 1.00 0.00 C ATOM 1353 O ASP A 88 4.347 -14.542 -10.252 1.00 0.00 O ATOM 1354 CB ASP A 88 7.723 -13.593 -10.137 1.00 0.00 C ATOM 1355 CG ASP A 88 8.027 -13.983 -11.570 1.00 0.00 C ATOM 1356 OD1 ASP A 88 7.790 -15.156 -11.928 1.00 0.00 O ATOM 1357 OD2 ASP A 88 8.501 -13.116 -12.333 1.00 0.00 O ATOM 0 H ASP A 88 6.242 -12.519 -7.946 1.00 0.00 H new ATOM 0 HA ASP A 88 5.920 -12.689 -10.875 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.393 -12.789 -9.832 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.924 -14.441 -9.482 1.00 0.00 H new ATOM 1362 N ASP A 89 5.818 -15.145 -8.661 1.00 0.00 N ATOM 1363 CA ASP A 89 5.066 -16.329 -8.260 1.00 0.00 C ATOM 1364 C ASP A 89 4.663 -16.245 -6.791 1.00 0.00 C ATOM 1365 O ASP A 89 3.854 -17.040 -6.314 1.00 0.00 O ATOM 1366 CB ASP A 89 5.895 -17.592 -8.502 1.00 0.00 C ATOM 1367 CG ASP A 89 6.141 -17.848 -9.976 1.00 0.00 C ATOM 1368 OD1 ASP A 89 6.270 -16.866 -10.736 1.00 0.00 O ATOM 1369 OD2 ASP A 89 6.206 -19.032 -10.369 1.00 0.00 O ATOM 0 H ASP A 89 6.681 -14.996 -8.138 1.00 0.00 H new ATOM 0 HA ASP A 89 4.160 -16.376 -8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.851 -17.500 -7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.381 -18.450 -8.068 1.00 0.00 H new ATOM 1374 N GLU A 90 5.233 -15.277 -6.080 1.00 0.00 N ATOM 1375 CA GLU A 90 4.933 -15.091 -4.665 1.00 0.00 C ATOM 1376 C GLU A 90 4.162 -13.794 -4.439 1.00 0.00 C ATOM 1377 O GLU A 90 4.047 -12.962 -5.339 1.00 0.00 O ATOM 1378 CB GLU A 90 6.224 -15.080 -3.845 1.00 0.00 C ATOM 1379 CG GLU A 90 7.265 -16.073 -4.334 1.00 0.00 C ATOM 1380 CD GLU A 90 7.774 -15.747 -5.724 1.00 0.00 C ATOM 1381 OE1 GLU A 90 7.630 -14.583 -6.152 1.00 0.00 O ATOM 1382 OE2 GLU A 90 8.317 -16.657 -6.385 1.00 0.00 O ATOM 0 H GLU A 90 5.905 -14.610 -6.460 1.00 0.00 H new ATOM 0 HA GLU A 90 4.311 -15.924 -4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.651 -14.077 -3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.985 -15.300 -2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.104 -16.087 -3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.835 -17.074 -4.334 1.00 0.00 H new ATOM 1389 N SER A 91 3.635 -13.629 -3.229 1.00 0.00 N ATOM 1390 CA SER A 91 2.871 -12.436 -2.884 1.00 0.00 C ATOM 1391 C SER A 91 3.064 -12.073 -1.415 1.00 0.00 C ATOM 1392 O SER A 91 3.229 -12.948 -0.565 1.00 0.00 O ATOM 1393 CB SER A 91 1.385 -12.654 -3.176 1.00 0.00 C ATOM 1394 OG SER A 91 0.909 -13.832 -2.548 1.00 0.00 O ATOM 0 H SER A 91 3.723 -14.307 -2.472 1.00 0.00 H new ATOM 0 HA SER A 91 3.237 -11.611 -3.495 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.813 -11.795 -2.826 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.229 -12.724 -4.253 1.00 0.00 H new ATOM 0 HG SER A 91 -0.043 -13.948 -2.749 1.00 0.00 H new ATOM 1400 N ALA A 92 3.043 -10.777 -1.125 1.00 0.00 N ATOM 1401 CA ALA A 92 3.214 -10.297 0.241 1.00 0.00 C ATOM 1402 C ALA A 92 1.880 -9.868 0.843 1.00 0.00 C ATOM 1403 O ALA A 92 1.105 -9.151 0.211 1.00 0.00 O ATOM 1404 CB ALA A 92 4.205 -9.143 0.274 1.00 0.00 C ATOM 0 H ALA A 92 2.909 -10.040 -1.817 1.00 0.00 H new ATOM 0 HA ALA A 92 3.607 -11.117 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.323 -8.794 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.169 -9.480 -0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.834 -8.327 -0.346 1.00 0.00 H new ATOM 1410 N SER A 93 1.619 -10.313 2.068 1.00 0.00 N ATOM 1411 CA SER A 93 0.376 -9.978 2.754 1.00 0.00 C ATOM 1412 C SER A 93 0.501 -8.645 3.485 1.00 0.00 C ATOM 1413 O SER A 93 1.382 -8.465 4.326 1.00 0.00 O ATOM 1414 CB SER A 93 0.002 -11.083 3.744 1.00 0.00 C ATOM 1415 OG SER A 93 -1.064 -10.676 4.583 1.00 0.00 O ATOM 0 H SER A 93 2.251 -10.906 2.606 1.00 0.00 H new ATOM 0 HA SER A 93 -0.411 -9.889 2.005 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.283 -11.983 3.199 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.870 -11.340 4.352 1.00 0.00 H new ATOM 0 HG SER A 93 -1.495 -11.466 4.971 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.388 -7.713 3.158 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.378 -6.395 3.781 1.00 0.00 C ATOM 1423 C PHE A 94 -1.778 -6.003 4.247 1.00 0.00 C ATOM 1424 O PHE A 94 -2.608 -5.560 3.454 1.00 0.00 O ATOM 1425 CB PHE A 94 0.157 -5.348 2.803 1.00 0.00 C ATOM 1426 CG PHE A 94 1.653 -5.357 2.674 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.452 -4.831 3.676 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.262 -5.892 1.550 1.00 0.00 C ATOM 1429 CE1 PHE A 94 3.829 -4.838 3.561 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.639 -5.903 1.429 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.423 -5.374 2.435 1.00 0.00 C ATOM 0 H PHE A 94 -1.124 -7.846 2.465 1.00 0.00 H new ATOM 0 HA PHE A 94 0.278 -6.438 4.651 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.285 -5.520 1.822 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.166 -4.359 3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 94 1.993 -4.410 4.558 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.654 -6.305 0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.440 -4.425 4.350 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.101 -6.325 0.549 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.499 -5.379 2.342 1.00 0.00 H new ATOM 1441 N THR A 95 -2.032 -6.171 5.541 1.00 0.00 N ATOM 1442 CA THR A 95 -3.330 -5.838 6.114 1.00 0.00 C ATOM 1443 C THR A 95 -3.422 -4.351 6.441 1.00 0.00 C ATOM 1444 O THR A 95 -2.648 -3.834 7.247 1.00 0.00 O ATOM 1445 CB THR A 95 -3.606 -6.651 7.393 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.651 -8.048 7.085 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.919 -6.225 8.033 1.00 0.00 C ATOM 0 H THR A 95 -1.356 -6.536 6.212 1.00 0.00 H new ATOM 0 HA THR A 95 -4.080 -6.090 5.364 1.00 0.00 H new ATOM 0 HB THR A 95 -2.798 -6.461 8.099 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.825 -8.558 7.904 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.092 -6.813 8.934 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.871 -5.168 8.293 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.736 -6.389 7.330 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.372 -3.669 5.811 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.566 -2.241 6.037 1.00 0.00 C ATOM 1457 C VAL A 96 -6.002 -1.940 6.452 1.00 0.00 C ATOM 1458 O VAL A 96 -6.877 -1.745 5.608 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.225 -1.423 4.777 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.451 0.061 5.027 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.791 -1.686 4.343 1.00 0.00 C ATOM 0 H VAL A 96 -5.020 -4.082 5.140 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.891 -1.953 6.843 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.888 -1.737 3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.205 0.623 4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.496 0.231 5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.814 0.393 5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.567 -1.100 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.110 -1.401 5.145 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.667 -2.746 4.121 1.00 0.00 H new ATOM 1471 N THR A 97 -6.238 -1.904 7.760 1.00 0.00 N ATOM 1472 CA THR A 97 -7.568 -1.627 8.288 1.00 0.00 C ATOM 1473 C THR A 97 -7.762 -0.135 8.534 1.00 0.00 C ATOM 1474 O THR A 97 -7.007 0.484 9.284 1.00 0.00 O ATOM 1475 CB THR A 97 -7.820 -2.390 9.603 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.692 -3.799 9.383 1.00 0.00 O ATOM 1477 CG2 THR A 97 -9.205 -2.080 10.151 1.00 0.00 C ATOM 0 H THR A 97 -5.526 -2.063 8.473 1.00 0.00 H new ATOM 0 HA THR A 97 -8.283 -1.965 7.538 1.00 0.00 H new ATOM 0 HB THR A 97 -7.078 -2.068 10.333 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.852 -4.277 10.223 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.360 -2.630 11.079 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.289 -1.011 10.344 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.959 -2.377 9.423 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.781 0.437 7.899 1.00 0.00 N ATOM 1486 CA VAL A 98 -9.076 1.857 8.051 1.00 0.00 C ATOM 1487 C VAL A 98 -10.313 2.072 8.915 1.00 0.00 C ATOM 1488 O VAL A 98 -11.339 1.418 8.724 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.293 2.534 6.685 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.567 4.019 6.863 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -8.090 2.309 5.781 1.00 0.00 C ATOM 0 H VAL A 98 -9.416 -0.061 7.275 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.213 2.309 8.539 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.164 2.083 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.718 4.481 5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.462 4.154 7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.718 4.489 7.359 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.261 2.794 4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.200 2.731 6.248 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.946 1.240 5.627 1.00 0.00 H new ATOM 1501 N THR A 99 -10.210 2.993 9.868 1.00 0.00 N ATOM 1502 CA THR A 99 -11.319 3.294 10.763 1.00 0.00 C ATOM 1503 C THR A 99 -11.608 4.791 10.797 1.00 0.00 C ATOM 1504 O THR A 99 -10.882 5.585 10.200 1.00 0.00 O ATOM 1505 CB THR A 99 -11.035 2.805 12.196 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.745 3.260 12.622 1.00 0.00 O ATOM 1507 CG2 THR A 99 -11.093 1.287 12.271 1.00 0.00 C ATOM 0 H THR A 99 -9.369 3.544 10.039 1.00 0.00 H new ATOM 0 HA THR A 99 -12.190 2.767 10.374 1.00 0.00 H new ATOM 0 HB THR A 99 -11.800 3.215 12.855 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.572 2.947 13.534 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.889 0.965 13.292 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.085 0.946 11.974 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.347 0.861 11.601 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.671 5.168 11.500 1.00 0.00 N ATOM 1516 CA GLU A 100 -13.054 6.571 11.611 1.00 0.00 C ATOM 1517 C GLU A 100 -12.119 7.317 12.558 1.00 0.00 C ATOM 1518 O GLU A 100 -11.796 6.848 13.650 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.498 6.691 12.103 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.505 5.985 11.211 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.770 5.597 11.953 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -16.735 4.599 12.702 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -17.794 6.292 11.784 1.00 0.00 O ATOM 0 H GLU A 100 -13.282 4.523 12.001 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.976 7.022 10.622 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.565 6.279 13.110 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.763 7.746 12.172 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.763 6.635 10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -15.047 5.091 10.789 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.671 8.508 12.131 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.767 9.344 12.926 1.00 0.00 C ATOM 1532 C PRO A 101 -11.451 9.932 14.155 1.00 0.00 C ATOM 1533 O PRO A 101 -12.672 9.875 14.303 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.367 10.457 11.953 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.493 10.532 10.980 1.00 0.00 C ATOM 1536 CD PRO A 101 -12.015 9.128 10.841 1.00 0.00 C ATOM 0 HA PRO A 101 -9.923 8.775 13.316 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.228 11.405 12.472 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.426 10.227 11.453 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.273 11.205 11.337 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.153 10.919 10.019 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.090 9.115 10.663 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.547 8.606 10.006 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.648 10.512 15.060 1.00 0.00 N ATOM 1545 CA PRO A 102 -11.155 11.123 16.292 1.00 0.00 C ATOM 1546 C PRO A 102 -11.940 12.402 16.025 1.00 0.00 C ATOM 1547 O PRO A 102 -11.943 12.918 14.907 1.00 0.00 O ATOM 1548 CB PRO A 102 -9.882 11.432 17.084 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.817 11.571 16.051 1.00 0.00 C ATOM 1550 CD PRO A 102 -9.183 10.617 14.948 1.00 0.00 C ATOM 0 HA PRO A 102 -11.851 10.467 16.815 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.990 12.347 17.666 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.649 10.632 17.787 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.764 12.595 15.680 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.838 11.331 16.465 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.881 10.996 13.972 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.700 9.649 15.077 1.00 0.00 H new