USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 643 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 14:sc= 0.697 USER MOD Single : A 23 HIS : no HD1:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -142:sc= 0.975 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot -31:sc= 0.0695 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0442 USER MOD Single : A 72 TYR OH : rot 170:sc= 0.254 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -129:sc= -0.964 (180deg=-2.83!) USER MOD Single : A 80 TYR OH : rot -23:sc= 1.25 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 142:sc= -1.15 (180deg=-1.75) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0.964 USER MOD Single : A 93 HIS : no HD1:sc= -0.713 K(o=-0.71,f=-1.3) USER MOD Single : A 99 LYS NZ :NH3+ 163:sc= -0.0257 (180deg=-0.266) USER MOD ----------------------------------------------------------------- ATOM 80 N PHE A 9 12.086 16.222 6.415 1.00 0.00 N ATOM 81 CA PHE A 9 11.408 14.958 6.152 1.00 0.00 C ATOM 82 C PHE A 9 9.986 14.978 6.705 1.00 0.00 C ATOM 83 O PHE A 9 9.745 15.465 7.809 1.00 0.00 O ATOM 84 CB PHE A 9 12.191 13.797 6.768 1.00 0.00 C ATOM 85 CG PHE A 9 11.348 12.585 7.043 1.00 0.00 C ATOM 86 CD1 PHE A 9 10.612 12.487 8.212 1.00 0.00 C ATOM 87 CD2 PHE A 9 11.292 11.543 6.131 1.00 0.00 C ATOM 88 CE1 PHE A 9 9.836 11.372 8.468 1.00 0.00 C ATOM 89 CE2 PHE A 9 10.518 10.426 6.381 1.00 0.00 C ATOM 90 CZ PHE A 9 9.788 10.341 7.550 1.00 0.00 C ATOM 0 HA PHE A 9 11.357 14.820 5.072 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.003 13.520 6.096 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.648 14.131 7.700 1.00 0.00 H new ATOM 0 HD1 PHE A 9 10.645 13.291 8.932 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.860 11.605 5.214 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.268 11.307 9.384 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.484 9.620 5.663 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.181 9.470 7.746 1.00 0.00 H new ATOM 100 N ASP A 10 9.049 14.446 5.928 1.00 0.00 N ATOM 101 CA ASP A 10 7.650 14.401 6.339 1.00 0.00 C ATOM 102 C ASP A 10 6.859 13.430 5.468 1.00 0.00 C ATOM 103 O ASP A 10 6.664 13.648 4.272 1.00 0.00 O ATOM 104 CB ASP A 10 7.029 15.797 6.262 1.00 0.00 C ATOM 105 CG ASP A 10 5.929 15.998 7.286 1.00 0.00 C ATOM 106 OD1 ASP A 10 6.168 15.710 8.477 1.00 0.00 O ATOM 107 OD2 ASP A 10 4.829 16.443 6.895 1.00 0.00 O ATOM 0 H ASP A 10 9.232 14.040 5.010 1.00 0.00 H new ATOM 0 HA ASP A 10 7.611 14.051 7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.806 16.546 6.416 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.625 15.957 5.262 1.00 0.00 H new ATOM 112 N PRO A 11 6.392 12.332 6.081 1.00 0.00 N ATOM 113 CA PRO A 11 5.615 11.305 5.380 1.00 0.00 C ATOM 114 C PRO A 11 4.226 11.796 4.988 1.00 0.00 C ATOM 115 O PRO A 11 3.551 11.185 4.160 1.00 0.00 O ATOM 116 CB PRO A 11 5.512 10.175 6.408 1.00 0.00 C ATOM 117 CG PRO A 11 5.653 10.850 7.728 1.00 0.00 C ATOM 118 CD PRO A 11 6.586 12.008 7.504 1.00 0.00 C ATOM 0 HA PRO A 11 6.086 11.006 4.443 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.558 9.654 6.330 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.294 9.431 6.258 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.686 11.193 8.096 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.053 10.165 8.476 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.339 12.853 8.146 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.620 11.738 7.717 1.00 0.00 H new ATOM 126 N SER A 12 3.804 12.905 5.588 1.00 0.00 N ATOM 127 CA SER A 12 2.493 13.477 5.304 1.00 0.00 C ATOM 128 C SER A 12 2.418 13.975 3.864 1.00 0.00 C ATOM 129 O SER A 12 1.377 13.879 3.214 1.00 0.00 O ATOM 130 CB SER A 12 2.193 14.625 6.269 1.00 0.00 C ATOM 131 OG SER A 12 1.592 14.147 7.460 1.00 0.00 O ATOM 0 H SER A 12 4.351 13.425 6.274 1.00 0.00 H new ATOM 0 HA SER A 12 1.746 12.695 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.116 15.152 6.510 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.531 15.345 5.788 1.00 0.00 H new ATOM 0 HG SER A 12 1.412 14.900 8.061 1.00 0.00 H new ATOM 137 N LYS A 13 3.531 14.508 3.371 1.00 0.00 N ATOM 138 CA LYS A 13 3.595 15.021 2.007 1.00 0.00 C ATOM 139 C LYS A 13 3.360 13.906 0.994 1.00 0.00 C ATOM 140 O LYS A 13 2.872 14.148 -0.110 1.00 0.00 O ATOM 141 CB LYS A 13 4.953 15.679 1.751 1.00 0.00 C ATOM 142 CG LYS A 13 5.353 16.683 2.819 1.00 0.00 C ATOM 143 CD LYS A 13 4.413 17.876 2.844 1.00 0.00 C ATOM 144 CE LYS A 13 5.131 19.142 3.285 1.00 0.00 C ATOM 145 NZ LYS A 13 4.205 20.306 3.365 1.00 0.00 N ATOM 0 H LYS A 13 4.401 14.596 3.896 1.00 0.00 H new ATOM 0 HA LYS A 13 2.808 15.766 1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.717 14.904 1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.928 16.181 0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.352 16.197 3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.371 17.025 2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.986 18.025 1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.583 17.673 3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.592 18.977 4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.936 19.366 2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.733 21.149 3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.784 20.479 2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.451 20.103 4.052 1.00 0.00 H new ATOM 159 N VAL A 14 3.709 12.681 1.377 1.00 0.00 N ATOM 160 CA VAL A 14 3.533 11.528 0.503 1.00 0.00 C ATOM 161 C VAL A 14 2.061 11.306 0.175 1.00 0.00 C ATOM 162 O VAL A 14 1.221 11.209 1.070 1.00 0.00 O ATOM 163 CB VAL A 14 4.104 10.248 1.142 1.00 0.00 C ATOM 164 CG1 VAL A 14 3.906 9.056 0.218 1.00 0.00 C ATOM 165 CG2 VAL A 14 5.575 10.432 1.480 1.00 0.00 C ATOM 0 H VAL A 14 4.115 12.462 2.287 1.00 0.00 H new ATOM 0 HA VAL A 14 4.078 11.741 -0.416 1.00 0.00 H new ATOM 0 HB VAL A 14 3.564 10.053 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.316 8.161 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.842 8.913 0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.419 9.239 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.962 9.518 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.133 10.652 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.686 11.258 2.182 1.00 0.00 H new ATOM 175 N VAL A 15 1.753 11.226 -1.116 1.00 0.00 N ATOM 176 CA VAL A 15 0.382 11.014 -1.564 1.00 0.00 C ATOM 177 C VAL A 15 0.251 9.702 -2.329 1.00 0.00 C ATOM 178 O VAL A 15 0.762 9.566 -3.440 1.00 0.00 O ATOM 179 CB VAL A 15 -0.101 12.170 -2.460 1.00 0.00 C ATOM 180 CG1 VAL A 15 -1.504 11.893 -2.978 1.00 0.00 C ATOM 181 CG2 VAL A 15 -0.054 13.487 -1.701 1.00 0.00 C ATOM 0 H VAL A 15 2.435 11.305 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.241 10.973 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 15 0.568 12.247 -3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.829 12.720 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.502 10.972 -3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.189 11.788 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.399 14.293 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.699 13.425 -0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.969 13.688 -1.385 1.00 0.00 H new ATOM 191 N ALA A 16 -0.440 8.739 -1.728 1.00 0.00 N ATOM 192 CA ALA A 16 -0.641 7.438 -2.354 1.00 0.00 C ATOM 193 C ALA A 16 -2.093 7.252 -2.779 1.00 0.00 C ATOM 194 O ALA A 16 -3.015 7.610 -2.046 1.00 0.00 O ATOM 195 CB ALA A 16 -0.220 6.325 -1.406 1.00 0.00 C ATOM 0 H ALA A 16 -0.870 8.835 -0.808 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.019 7.393 -3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.376 5.359 -1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.835 6.440 -1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.817 6.377 -0.495 1.00 0.00 H new ATOM 201 N SER A 17 -2.290 6.692 -3.968 1.00 0.00 N ATOM 202 CA SER A 17 -3.631 6.463 -4.493 1.00 0.00 C ATOM 203 C SER A 17 -3.625 5.342 -5.528 1.00 0.00 C ATOM 204 O SER A 17 -2.579 4.775 -5.840 1.00 0.00 O ATOM 205 CB SER A 17 -4.183 7.746 -5.117 1.00 0.00 C ATOM 206 OG SER A 17 -4.525 8.692 -4.119 1.00 0.00 O ATOM 0 H SER A 17 -1.538 6.388 -4.586 1.00 0.00 H new ATOM 0 HA SER A 17 -4.273 6.165 -3.664 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.441 8.175 -5.790 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.062 7.513 -5.718 1.00 0.00 H new ATOM 0 HG SER A 17 -4.134 8.420 -3.263 1.00 0.00 H new ATOM 212 N GLY A 18 -4.804 5.028 -6.058 1.00 0.00 N ATOM 213 CA GLY A 18 -4.914 3.976 -7.052 1.00 0.00 C ATOM 214 C GLY A 18 -6.032 3.000 -6.742 1.00 0.00 C ATOM 215 O GLY A 18 -6.666 3.063 -5.688 1.00 0.00 O ATOM 0 H GLY A 18 -5.684 5.483 -5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.087 4.422 -8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.969 3.435 -7.110 1.00 0.00 H new ATOM 219 N PRO A 19 -6.289 2.073 -7.677 1.00 0.00 N ATOM 220 CA PRO A 19 -7.340 1.063 -7.521 1.00 0.00 C ATOM 221 C PRO A 19 -6.998 0.031 -6.452 1.00 0.00 C ATOM 222 O PRO A 19 -7.882 -0.483 -5.768 1.00 0.00 O ATOM 223 CB PRO A 19 -7.403 0.402 -8.901 1.00 0.00 C ATOM 224 CG PRO A 19 -6.049 0.614 -9.485 1.00 0.00 C ATOM 225 CD PRO A 19 -5.573 1.939 -8.957 1.00 0.00 C ATOM 0 HA PRO A 19 -8.284 1.503 -7.200 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.638 -0.659 -8.821 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.177 0.854 -9.521 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.370 -0.188 -9.196 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.090 0.620 -10.574 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.492 1.951 -8.816 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.814 2.754 -9.640 1.00 0.00 H new ATOM 233 N GLY A 20 -5.710 -0.267 -6.312 1.00 0.00 N ATOM 234 CA GLY A 20 -5.275 -1.235 -5.323 1.00 0.00 C ATOM 235 C GLY A 20 -5.732 -0.879 -3.923 1.00 0.00 C ATOM 236 O GLY A 20 -6.026 -1.761 -3.114 1.00 0.00 O ATOM 0 H GLY A 20 -4.960 0.145 -6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.661 -2.219 -5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.187 -1.304 -5.340 1.00 0.00 H new ATOM 240 N LEU A 21 -5.791 0.416 -3.633 1.00 0.00 N ATOM 241 CA LEU A 21 -6.214 0.887 -2.319 1.00 0.00 C ATOM 242 C LEU A 21 -7.736 0.926 -2.218 1.00 0.00 C ATOM 243 O LEU A 21 -8.289 1.323 -1.193 1.00 0.00 O ATOM 244 CB LEU A 21 -5.639 2.278 -2.045 1.00 0.00 C ATOM 245 CG LEU A 21 -4.269 2.315 -1.366 1.00 0.00 C ATOM 246 CD1 LEU A 21 -3.502 3.562 -1.779 1.00 0.00 C ATOM 247 CD2 LEU A 21 -4.421 2.257 0.147 1.00 0.00 C ATOM 0 H LEU A 21 -5.551 1.158 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.836 0.189 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.568 2.813 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.346 2.826 -1.422 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.702 1.441 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.530 3.571 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.361 3.561 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.065 4.449 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.436 2.284 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.007 3.111 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.929 1.334 0.427 1.00 0.00 H new ATOM 259 N GLU A 22 -8.406 0.508 -3.288 1.00 0.00 N ATOM 260 CA GLU A 22 -9.863 0.494 -3.318 1.00 0.00 C ATOM 261 C GLU A 22 -10.393 -0.938 -3.332 1.00 0.00 C ATOM 262 O GLU A 22 -11.455 -1.224 -2.778 1.00 0.00 O ATOM 263 CB GLU A 22 -10.378 1.252 -4.543 1.00 0.00 C ATOM 264 CG GLU A 22 -9.798 2.649 -4.682 1.00 0.00 C ATOM 265 CD GLU A 22 -10.718 3.591 -5.434 1.00 0.00 C ATOM 266 OE1 GLU A 22 -11.745 4.004 -4.856 1.00 0.00 O ATOM 267 OE2 GLU A 22 -10.412 3.913 -6.601 1.00 0.00 O ATOM 0 H GLU A 22 -7.963 0.175 -4.144 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.224 0.988 -2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.142 0.679 -5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.464 1.323 -4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.599 3.056 -3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.841 2.591 -5.201 1.00 0.00 H new ATOM 274 N HIS A 23 -9.646 -1.833 -3.971 1.00 0.00 N ATOM 275 CA HIS A 23 -10.040 -3.234 -4.058 1.00 0.00 C ATOM 276 C HIS A 23 -8.928 -4.073 -4.681 1.00 0.00 C ATOM 277 O HIS A 23 -8.019 -3.542 -5.317 1.00 0.00 O ATOM 278 CB HIS A 23 -11.322 -3.376 -4.878 1.00 0.00 C ATOM 279 CG HIS A 23 -11.249 -2.719 -6.222 1.00 0.00 C ATOM 280 ND1 HIS A 23 -10.926 -3.401 -7.377 1.00 0.00 N ATOM 281 CD2 HIS A 23 -11.460 -1.435 -6.593 1.00 0.00 C ATOM 282 CE1 HIS A 23 -10.941 -2.564 -8.399 1.00 0.00 C ATOM 283 NE2 HIS A 23 -11.262 -1.364 -7.950 1.00 0.00 N ATOM 0 H HIS A 23 -8.765 -1.613 -4.436 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.223 -3.598 -3.047 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.542 -4.435 -5.012 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.152 -2.946 -4.317 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -11.733 -0.617 -5.942 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.727 -2.818 -9.427 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.349 -0.522 -8.519 1.00 0.00 H new ATOM 292 N GLY A 24 -9.008 -5.387 -4.492 1.00 0.00 N ATOM 293 CA GLY A 24 -8.002 -6.277 -5.041 1.00 0.00 C ATOM 294 C GLY A 24 -8.580 -7.612 -5.467 1.00 0.00 C ATOM 295 O GLY A 24 -9.714 -7.945 -5.123 1.00 0.00 O ATOM 0 H GLY A 24 -9.751 -5.850 -3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.528 -5.800 -5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.223 -6.443 -4.297 1.00 0.00 H new ATOM 299 N LYS A 25 -7.799 -8.380 -6.221 1.00 0.00 N ATOM 300 CA LYS A 25 -8.239 -9.686 -6.696 1.00 0.00 C ATOM 301 C LYS A 25 -7.081 -10.680 -6.705 1.00 0.00 C ATOM 302 O LYS A 25 -5.979 -10.359 -7.150 1.00 0.00 O ATOM 303 CB LYS A 25 -8.834 -9.567 -8.100 1.00 0.00 C ATOM 304 CG LYS A 25 -9.818 -10.673 -8.440 1.00 0.00 C ATOM 305 CD LYS A 25 -10.360 -10.524 -9.852 1.00 0.00 C ATOM 306 CE LYS A 25 -11.703 -11.219 -10.010 1.00 0.00 C ATOM 307 NZ LYS A 25 -12.556 -10.553 -11.033 1.00 0.00 N ATOM 0 H LYS A 25 -6.858 -8.120 -6.516 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.005 -10.054 -6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.337 -8.604 -8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.025 -9.575 -8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.328 -11.641 -8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.644 -10.657 -7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.466 -9.466 -10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.647 -10.942 -10.562 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.542 -12.259 -10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.223 -11.226 -9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.462 -11.057 -11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.731 -9.567 -10.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.071 -10.569 -11.953 1.00 0.00 H new ATOM 321 N VAL A 26 -7.340 -11.887 -6.214 1.00 0.00 N ATOM 322 CA VAL A 26 -6.320 -12.928 -6.169 1.00 0.00 C ATOM 323 C VAL A 26 -5.626 -13.077 -7.518 1.00 0.00 C ATOM 324 O VAL A 26 -6.249 -13.450 -8.511 1.00 0.00 O ATOM 325 CB VAL A 26 -6.922 -14.286 -5.761 1.00 0.00 C ATOM 326 CG1 VAL A 26 -5.845 -15.360 -5.729 1.00 0.00 C ATOM 327 CG2 VAL A 26 -7.618 -14.177 -4.413 1.00 0.00 C ATOM 0 H VAL A 26 -8.247 -12.168 -5.842 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.589 -12.623 -5.420 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.665 -14.572 -6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.289 -16.312 -5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.397 -15.455 -6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.076 -15.083 -5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.037 -15.146 -4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.898 -13.867 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.418 -13.440 -4.475 1.00 0.00 H new ATOM 337 N GLY A 27 -4.329 -12.783 -7.546 1.00 0.00 N ATOM 338 CA GLY A 27 -3.571 -12.890 -8.779 1.00 0.00 C ATOM 339 C GLY A 27 -3.365 -11.547 -9.451 1.00 0.00 C ATOM 340 O GLY A 27 -2.378 -11.345 -10.157 1.00 0.00 O ATOM 0 H GLY A 27 -3.790 -12.473 -6.737 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.601 -13.340 -8.568 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.090 -13.560 -9.464 1.00 0.00 H new ATOM 344 N GLU A 28 -4.301 -10.628 -9.234 1.00 0.00 N ATOM 345 CA GLU A 28 -4.217 -9.299 -9.827 1.00 0.00 C ATOM 346 C GLU A 28 -3.094 -8.487 -9.188 1.00 0.00 C ATOM 347 O GLU A 28 -2.357 -8.989 -8.340 1.00 0.00 O ATOM 348 CB GLU A 28 -5.548 -8.561 -9.669 1.00 0.00 C ATOM 349 CG GLU A 28 -6.576 -8.926 -10.727 1.00 0.00 C ATOM 350 CD GLU A 28 -6.174 -8.466 -12.115 1.00 0.00 C ATOM 351 OE1 GLU A 28 -6.234 -7.247 -12.375 1.00 0.00 O ATOM 352 OE2 GLU A 28 -5.799 -9.326 -12.939 1.00 0.00 O ATOM 0 H GLU A 28 -5.125 -10.780 -8.653 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.998 -9.416 -10.888 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.960 -8.779 -8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.365 -7.487 -9.707 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.717 -10.007 -10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.536 -8.481 -10.465 1.00 0.00 H new ATOM 359 N ALA A 29 -2.971 -7.230 -9.602 1.00 0.00 N ATOM 360 CA ALA A 29 -1.940 -6.348 -9.070 1.00 0.00 C ATOM 361 C ALA A 29 -2.533 -5.018 -8.620 1.00 0.00 C ATOM 362 O ALA A 29 -3.217 -4.341 -9.388 1.00 0.00 O ATOM 363 CB ALA A 29 -0.853 -6.119 -10.110 1.00 0.00 C ATOM 0 H ALA A 29 -3.573 -6.800 -10.304 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.498 -6.831 -8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.090 -5.458 -9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.400 -7.073 -10.379 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.289 -5.661 -10.998 1.00 0.00 H new ATOM 369 N GLY A 30 -2.269 -4.648 -7.371 1.00 0.00 N ATOM 370 CA GLY A 30 -2.786 -3.400 -6.841 1.00 0.00 C ATOM 371 C GLY A 30 -1.988 -2.198 -7.305 1.00 0.00 C ATOM 372 O GLY A 30 -0.942 -1.881 -6.737 1.00 0.00 O ATOM 0 H GLY A 30 -1.706 -5.191 -6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.826 -3.282 -7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.777 -3.440 -5.752 1.00 0.00 H new ATOM 376 N LEU A 31 -2.479 -1.529 -8.342 1.00 0.00 N ATOM 377 CA LEU A 31 -1.803 -0.355 -8.885 1.00 0.00 C ATOM 378 C LEU A 31 -1.802 0.788 -7.875 1.00 0.00 C ATOM 379 O LEU A 31 -2.860 1.270 -7.466 1.00 0.00 O ATOM 380 CB LEU A 31 -2.480 0.094 -10.181 1.00 0.00 C ATOM 381 CG LEU A 31 -2.508 -0.932 -11.314 1.00 0.00 C ATOM 382 CD1 LEU A 31 -3.404 -0.454 -12.446 1.00 0.00 C ATOM 383 CD2 LEU A 31 -1.100 -1.203 -11.823 1.00 0.00 C ATOM 0 H LEU A 31 -3.343 -1.779 -8.824 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.769 -0.627 -9.098 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.506 0.380 -9.951 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.973 0.989 -10.541 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.917 -1.864 -10.924 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.411 -1.197 -13.243 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.418 -0.313 -12.072 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.026 0.491 -12.835 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.139 -1.936 -12.629 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.663 -0.276 -12.196 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.487 -1.591 -11.009 1.00 0.00 H new ATOM 395 N LEU A 32 -0.610 1.220 -7.479 1.00 0.00 N ATOM 396 CA LEU A 32 -0.472 2.309 -6.518 1.00 0.00 C ATOM 397 C LEU A 32 0.584 3.310 -6.979 1.00 0.00 C ATOM 398 O LEU A 32 1.701 2.931 -7.331 1.00 0.00 O ATOM 399 CB LEU A 32 -0.101 1.757 -5.141 1.00 0.00 C ATOM 400 CG LEU A 32 -0.980 0.622 -4.614 1.00 0.00 C ATOM 401 CD1 LEU A 32 -0.436 0.094 -3.295 1.00 0.00 C ATOM 402 CD2 LEU A 32 -2.417 1.094 -4.449 1.00 0.00 C ATOM 0 H LEU A 32 0.275 0.833 -7.808 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.430 2.824 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.930 1.404 -5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.131 2.577 -4.423 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.966 -0.190 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.074 -0.713 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.576 -0.282 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.420 0.899 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.029 0.274 -4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.449 1.923 -3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.805 1.423 -5.413 1.00 0.00 H new ATOM 414 N SER A 33 0.222 4.589 -6.971 1.00 0.00 N ATOM 415 CA SER A 33 1.137 5.644 -7.389 1.00 0.00 C ATOM 416 C SER A 33 1.398 6.621 -6.247 1.00 0.00 C ATOM 417 O SER A 33 0.469 7.196 -5.681 1.00 0.00 O ATOM 418 CB SER A 33 0.568 6.394 -8.596 1.00 0.00 C ATOM 419 OG SER A 33 0.804 5.681 -9.797 1.00 0.00 O ATOM 0 H SER A 33 -0.698 4.919 -6.680 1.00 0.00 H new ATOM 0 HA SER A 33 2.082 5.180 -7.671 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.503 6.544 -8.463 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.022 7.383 -8.661 1.00 0.00 H new ATOM 0 HG SER A 33 0.430 6.180 -10.553 1.00 0.00 H new ATOM 425 N VAL A 34 2.672 6.803 -5.912 1.00 0.00 N ATOM 426 CA VAL A 34 3.058 7.711 -4.838 1.00 0.00 C ATOM 427 C VAL A 34 3.822 8.913 -5.382 1.00 0.00 C ATOM 428 O VAL A 34 4.729 8.766 -6.202 1.00 0.00 O ATOM 429 CB VAL A 34 3.927 6.997 -3.786 1.00 0.00 C ATOM 430 CG1 VAL A 34 4.232 7.930 -2.623 1.00 0.00 C ATOM 431 CG2 VAL A 34 3.239 5.731 -3.297 1.00 0.00 C ATOM 0 H VAL A 34 3.454 6.334 -6.369 1.00 0.00 H new ATOM 0 HA VAL A 34 2.137 8.054 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 34 4.871 6.714 -4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.847 7.408 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.769 8.805 -2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.299 8.246 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.867 5.239 -2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.280 5.988 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.077 5.057 -4.138 1.00 0.00 H new ATOM 441 N ASP A 35 3.450 10.101 -4.920 1.00 0.00 N ATOM 442 CA ASP A 35 4.102 11.330 -5.358 1.00 0.00 C ATOM 443 C ASP A 35 4.948 11.927 -4.237 1.00 0.00 C ATOM 444 O ASP A 35 4.435 12.631 -3.367 1.00 0.00 O ATOM 445 CB ASP A 35 3.059 12.347 -5.824 1.00 0.00 C ATOM 446 CG ASP A 35 3.689 13.584 -6.434 1.00 0.00 C ATOM 447 OD1 ASP A 35 4.660 13.437 -7.204 1.00 0.00 O ATOM 448 OD2 ASP A 35 3.211 14.700 -6.140 1.00 0.00 O ATOM 0 H ASP A 35 2.700 10.240 -4.242 1.00 0.00 H new ATOM 0 HA ASP A 35 4.759 11.086 -6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.401 11.879 -6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.437 12.639 -4.978 1.00 0.00 H new ATOM 453 N CYS A 36 6.244 11.639 -4.265 1.00 0.00 N ATOM 454 CA CYS A 36 7.161 12.146 -3.249 1.00 0.00 C ATOM 455 C CYS A 36 7.997 13.298 -3.798 1.00 0.00 C ATOM 456 O CYS A 36 8.867 13.098 -4.645 1.00 0.00 O ATOM 457 CB CYS A 36 8.077 11.025 -2.755 1.00 0.00 C ATOM 458 SG CYS A 36 7.222 9.725 -1.835 1.00 0.00 S ATOM 0 H CYS A 36 6.684 11.058 -4.979 1.00 0.00 H new ATOM 0 HA CYS A 36 6.569 12.517 -2.412 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.581 10.578 -3.612 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.851 11.456 -2.120 1.00 0.00 H new ATOM 0 HG CYS A 36 7.969 9.330 -0.847 1.00 0.00 H new ATOM 464 N SER A 37 7.725 14.504 -3.310 1.00 0.00 N ATOM 465 CA SER A 37 8.448 15.689 -3.756 1.00 0.00 C ATOM 466 C SER A 37 8.978 16.482 -2.564 1.00 0.00 C ATOM 467 O SER A 37 10.186 16.648 -2.405 1.00 0.00 O ATOM 468 CB SER A 37 7.540 16.576 -4.609 1.00 0.00 C ATOM 469 OG SER A 37 7.627 16.226 -5.980 1.00 0.00 O ATOM 0 H SER A 37 7.010 14.686 -2.606 1.00 0.00 H new ATOM 0 HA SER A 37 9.295 15.362 -4.359 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.509 16.478 -4.270 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.821 17.621 -4.479 1.00 0.00 H new ATOM 0 HG SER A 37 7.036 16.806 -6.504 1.00 0.00 H new ATOM 475 N GLU A 38 8.063 16.969 -1.732 1.00 0.00 N ATOM 476 CA GLU A 38 8.437 17.745 -0.555 1.00 0.00 C ATOM 477 C GLU A 38 8.648 16.836 0.652 1.00 0.00 C ATOM 478 O GLU A 38 9.248 17.238 1.648 1.00 0.00 O ATOM 479 CB GLU A 38 7.362 18.787 -0.241 1.00 0.00 C ATOM 480 CG GLU A 38 7.499 20.066 -1.051 1.00 0.00 C ATOM 481 CD GLU A 38 8.864 20.708 -0.900 1.00 0.00 C ATOM 482 OE1 GLU A 38 9.150 21.244 0.192 1.00 0.00 O ATOM 483 OE2 GLU A 38 9.646 20.677 -1.873 1.00 0.00 O ATOM 0 H GLU A 38 7.058 16.840 -1.851 1.00 0.00 H new ATOM 0 HA GLU A 38 9.375 18.256 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.380 18.352 -0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.405 19.033 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.319 19.846 -2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.732 20.774 -0.738 1.00 0.00 H new ATOM 490 N ALA A 39 8.150 15.607 0.554 1.00 0.00 N ATOM 491 CA ALA A 39 8.285 14.640 1.637 1.00 0.00 C ATOM 492 C ALA A 39 9.693 14.664 2.222 1.00 0.00 C ATOM 493 O ALA A 39 9.871 14.604 3.438 1.00 0.00 O ATOM 494 CB ALA A 39 7.940 13.243 1.142 1.00 0.00 C ATOM 0 H ALA A 39 7.650 15.258 -0.264 1.00 0.00 H new ATOM 0 HA ALA A 39 7.587 14.916 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.045 12.531 1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.913 13.229 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.615 12.967 0.332 1.00 0.00 H new ATOM 500 N GLY A 40 10.691 14.750 1.348 1.00 0.00 N ATOM 501 CA GLY A 40 12.070 14.779 1.798 1.00 0.00 C ATOM 502 C GLY A 40 12.769 13.447 1.610 1.00 0.00 C ATOM 503 O GLY A 40 12.387 12.635 0.768 1.00 0.00 O ATOM 0 H GLY A 40 10.569 14.800 0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.611 15.551 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.099 15.056 2.852 1.00 0.00 H new ATOM 507 N PRO A 41 13.820 13.209 2.408 1.00 0.00 N ATOM 508 CA PRO A 41 14.597 11.967 2.345 1.00 0.00 C ATOM 509 C PRO A 41 13.811 10.765 2.856 1.00 0.00 C ATOM 510 O PRO A 41 12.642 10.884 3.218 1.00 0.00 O ATOM 511 CB PRO A 41 15.794 12.250 3.255 1.00 0.00 C ATOM 512 CG PRO A 41 15.309 13.290 4.206 1.00 0.00 C ATOM 513 CD PRO A 41 14.331 14.132 3.435 1.00 0.00 C ATOM 0 HA PRO A 41 14.874 11.711 1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.113 11.350 3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 41 16.651 12.605 2.683 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.832 12.834 5.073 1.00 0.00 H new ATOM 0 HG3 PRO A 41 16.136 13.895 4.578 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.531 14.505 4.074 1.00 0.00 H new ATOM 0 HD3 PRO A 41 14.814 15.002 2.989 1.00 0.00 H new ATOM 521 N GLY A 42 14.463 9.606 2.884 1.00 0.00 N ATOM 522 CA GLY A 42 13.809 8.398 3.353 1.00 0.00 C ATOM 523 C GLY A 42 13.347 7.509 2.216 1.00 0.00 C ATOM 524 O GLY A 42 12.978 7.997 1.148 1.00 0.00 O ATOM 0 H GLY A 42 15.432 9.482 2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.496 7.841 3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.952 8.669 3.970 1.00 0.00 H new ATOM 528 N ALA A 43 13.371 6.200 2.443 1.00 0.00 N ATOM 529 CA ALA A 43 12.951 5.241 1.429 1.00 0.00 C ATOM 530 C ALA A 43 11.501 4.817 1.640 1.00 0.00 C ATOM 531 O ALA A 43 11.020 4.758 2.772 1.00 0.00 O ATOM 532 CB ALA A 43 13.865 4.025 1.442 1.00 0.00 C ATOM 0 H ALA A 43 13.677 5.779 3.320 1.00 0.00 H new ATOM 0 HA ALA A 43 13.022 5.726 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.540 3.317 0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.889 4.337 1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.823 3.548 2.421 1.00 0.00 H new ATOM 538 N LEU A 44 10.810 4.524 0.544 1.00 0.00 N ATOM 539 CA LEU A 44 9.414 4.107 0.609 1.00 0.00 C ATOM 540 C LEU A 44 9.304 2.588 0.706 1.00 0.00 C ATOM 541 O LEU A 44 10.083 1.859 0.095 1.00 0.00 O ATOM 542 CB LEU A 44 8.654 4.607 -0.620 1.00 0.00 C ATOM 543 CG LEU A 44 7.215 4.111 -0.768 1.00 0.00 C ATOM 544 CD1 LEU A 44 6.371 4.562 0.415 1.00 0.00 C ATOM 545 CD2 LEU A 44 6.611 4.604 -2.075 1.00 0.00 C ATOM 0 H LEU A 44 11.194 4.568 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 44 8.971 4.543 1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.641 5.697 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.211 4.315 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 44 7.227 3.021 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.350 4.200 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.791 4.159 1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.366 5.651 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.587 4.241 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.612 5.694 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.201 4.231 -2.912 1.00 0.00 H new ATOM 557 N GLY A 45 8.328 2.119 1.478 1.00 0.00 N ATOM 558 CA GLY A 45 8.132 0.690 1.640 1.00 0.00 C ATOM 559 C GLY A 45 6.714 0.342 2.048 1.00 0.00 C ATOM 560 O GLY A 45 6.039 1.132 2.709 1.00 0.00 O ATOM 0 H GLY A 45 7.670 2.703 1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.372 0.185 0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.826 0.314 2.392 1.00 0.00 H new ATOM 564 N LEU A 46 6.261 -0.843 1.654 1.00 0.00 N ATOM 565 CA LEU A 46 4.913 -1.294 1.981 1.00 0.00 C ATOM 566 C LEU A 46 4.927 -2.738 2.473 1.00 0.00 C ATOM 567 O LEU A 46 5.765 -3.537 2.057 1.00 0.00 O ATOM 568 CB LEU A 46 4.001 -1.167 0.760 1.00 0.00 C ATOM 569 CG LEU A 46 2.568 -1.670 0.938 1.00 0.00 C ATOM 570 CD1 LEU A 46 1.687 -0.577 1.522 1.00 0.00 C ATOM 571 CD2 LEU A 46 2.005 -2.158 -0.389 1.00 0.00 C ATOM 0 H LEU A 46 6.807 -1.509 1.108 1.00 0.00 H new ATOM 0 HA LEU A 46 4.528 -0.661 2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.963 -0.118 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.456 -1.712 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 46 2.582 -2.508 1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.671 -0.954 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.078 -0.274 2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.679 0.282 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.985 -2.512 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.005 -1.339 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.621 -2.973 -0.768 1.00 0.00 H new ATOM 583 N GLU A 47 3.990 -3.066 3.358 1.00 0.00 N ATOM 584 CA GLU A 47 3.895 -4.414 3.904 1.00 0.00 C ATOM 585 C GLU A 47 2.463 -4.935 3.820 1.00 0.00 C ATOM 586 O GLU A 47 1.615 -4.586 4.641 1.00 0.00 O ATOM 587 CB GLU A 47 4.372 -4.435 5.357 1.00 0.00 C ATOM 588 CG GLU A 47 4.524 -5.835 5.928 1.00 0.00 C ATOM 589 CD GLU A 47 5.048 -5.831 7.351 1.00 0.00 C ATOM 590 OE1 GLU A 47 4.229 -5.689 8.284 1.00 0.00 O ATOM 591 OE2 GLU A 47 6.276 -5.969 7.532 1.00 0.00 O ATOM 0 H GLU A 47 3.287 -2.417 3.711 1.00 0.00 H new ATOM 0 HA GLU A 47 4.536 -5.065 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.330 -3.919 5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.665 -3.876 5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.559 -6.341 5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.202 -6.409 5.297 1.00 0.00 H new ATOM 598 N ALA A 48 2.201 -5.772 2.821 1.00 0.00 N ATOM 599 CA ALA A 48 0.873 -6.342 2.630 1.00 0.00 C ATOM 600 C ALA A 48 0.717 -7.644 3.408 1.00 0.00 C ATOM 601 O ALA A 48 1.555 -8.541 3.312 1.00 0.00 O ATOM 602 CB ALA A 48 0.607 -6.574 1.150 1.00 0.00 C ATOM 0 H ALA A 48 2.891 -6.070 2.132 1.00 0.00 H new ATOM 0 HA ALA A 48 0.141 -5.631 3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.388 -7.000 1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.667 -5.625 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.351 -7.263 0.750 1.00 0.00 H new ATOM 608 N VAL A 49 -0.360 -7.741 4.181 1.00 0.00 N ATOM 609 CA VAL A 49 -0.626 -8.934 4.976 1.00 0.00 C ATOM 610 C VAL A 49 -2.122 -9.128 5.193 1.00 0.00 C ATOM 611 O VAL A 49 -2.828 -8.199 5.586 1.00 0.00 O ATOM 612 CB VAL A 49 0.076 -8.863 6.345 1.00 0.00 C ATOM 613 CG1 VAL A 49 -0.360 -10.022 7.229 1.00 0.00 C ATOM 614 CG2 VAL A 49 1.587 -8.855 6.170 1.00 0.00 C ATOM 0 H VAL A 49 -1.063 -7.007 4.274 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.231 -9.782 4.417 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.215 -7.934 6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.146 -9.955 8.192 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.438 -9.977 7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.101 -10.965 6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.066 -8.805 7.148 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.899 -9.766 5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.880 -7.989 5.577 1.00 0.00 H new ATOM 624 N SER A 50 -2.600 -10.341 4.935 1.00 0.00 N ATOM 625 CA SER A 50 -4.014 -10.656 5.099 1.00 0.00 C ATOM 626 C SER A 50 -4.349 -10.903 6.567 1.00 0.00 C ATOM 627 O SER A 50 -3.457 -11.057 7.401 1.00 0.00 O ATOM 628 CB SER A 50 -4.384 -11.885 4.266 1.00 0.00 C ATOM 629 OG SER A 50 -4.217 -13.077 5.014 1.00 0.00 O ATOM 0 H SER A 50 -2.029 -11.122 4.612 1.00 0.00 H new ATOM 0 HA SER A 50 -4.594 -9.801 4.751 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.418 -11.804 3.932 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.762 -11.923 3.372 1.00 0.00 H new ATOM 0 HG SER A 50 -4.461 -13.848 4.460 1.00 0.00 H new ATOM 635 N ASP A 51 -5.641 -10.940 6.874 1.00 0.00 N ATOM 636 CA ASP A 51 -6.095 -11.169 8.241 1.00 0.00 C ATOM 637 C ASP A 51 -5.505 -12.460 8.801 1.00 0.00 C ATOM 638 O ASP A 51 -5.203 -12.551 9.991 1.00 0.00 O ATOM 639 CB ASP A 51 -7.623 -11.229 8.289 1.00 0.00 C ATOM 640 CG ASP A 51 -8.145 -11.574 9.670 1.00 0.00 C ATOM 641 OD1 ASP A 51 -8.036 -12.752 10.068 1.00 0.00 O ATOM 642 OD2 ASP A 51 -8.663 -10.665 10.353 1.00 0.00 O ATOM 0 H ASP A 51 -6.392 -10.814 6.195 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.752 -10.337 8.856 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.032 -10.267 7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.977 -11.971 7.574 1.00 0.00 H new ATOM 647 N SER A 52 -5.344 -13.455 7.935 1.00 0.00 N ATOM 648 CA SER A 52 -4.794 -14.742 8.344 1.00 0.00 C ATOM 649 C SER A 52 -3.290 -14.641 8.579 1.00 0.00 C ATOM 650 O SER A 52 -2.680 -15.535 9.164 1.00 0.00 O ATOM 651 CB SER A 52 -5.085 -15.805 7.282 1.00 0.00 C ATOM 652 OG SER A 52 -4.834 -17.107 7.783 1.00 0.00 O ATOM 0 H SER A 52 -5.586 -13.395 6.946 1.00 0.00 H new ATOM 0 HA SER A 52 -5.271 -15.032 9.280 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.124 -15.729 6.962 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.466 -15.624 6.403 1.00 0.00 H new ATOM 0 HG SER A 52 -5.029 -17.769 7.087 1.00 0.00 H new ATOM 658 N GLY A 53 -2.698 -13.543 8.118 1.00 0.00 N ATOM 659 CA GLY A 53 -1.270 -13.344 8.287 1.00 0.00 C ATOM 660 C GLY A 53 -0.467 -13.889 7.124 1.00 0.00 C ATOM 661 O GLY A 53 0.431 -14.712 7.310 1.00 0.00 O ATOM 0 H GLY A 53 -3.181 -12.788 7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.065 -12.279 8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.945 -13.829 9.208 1.00 0.00 H new ATOM 665 N THR A 54 -0.789 -13.433 5.918 1.00 0.00 N ATOM 666 CA THR A 54 -0.093 -13.882 4.719 1.00 0.00 C ATOM 667 C THR A 54 0.536 -12.709 3.976 1.00 0.00 C ATOM 668 O THR A 54 -0.160 -11.796 3.532 1.00 0.00 O ATOM 669 CB THR A 54 -1.044 -14.629 3.764 1.00 0.00 C ATOM 670 OG1 THR A 54 -1.645 -15.739 4.440 1.00 0.00 O ATOM 671 CG2 THR A 54 -0.297 -15.122 2.534 1.00 0.00 C ATOM 0 H THR A 54 -1.529 -12.752 5.746 1.00 0.00 H new ATOM 0 HA THR A 54 0.692 -14.564 5.046 1.00 0.00 H new ATOM 0 HB THR A 54 -1.821 -13.935 3.444 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.249 -16.207 3.827 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.988 -15.646 1.874 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.135 -14.272 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.499 -15.801 2.840 1.00 0.00 H new ATOM 679 N LYS A 55 1.858 -12.739 3.844 1.00 0.00 N ATOM 680 CA LYS A 55 2.583 -11.679 3.153 1.00 0.00 C ATOM 681 C LYS A 55 2.435 -11.815 1.641 1.00 0.00 C ATOM 682 O LYS A 55 2.763 -12.853 1.067 1.00 0.00 O ATOM 683 CB LYS A 55 4.064 -11.712 3.536 1.00 0.00 C ATOM 684 CG LYS A 55 4.329 -11.310 4.977 1.00 0.00 C ATOM 685 CD LYS A 55 5.750 -11.645 5.397 1.00 0.00 C ATOM 686 CE LYS A 55 5.860 -11.812 6.905 1.00 0.00 C ATOM 687 NZ LYS A 55 5.423 -13.165 7.347 1.00 0.00 N ATOM 0 H LYS A 55 2.450 -13.487 4.207 1.00 0.00 H new ATOM 0 HA LYS A 55 2.157 -10.723 3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.451 -12.718 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.617 -11.045 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.156 -10.240 5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.625 -11.821 5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.070 -12.563 4.904 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.424 -10.855 5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.892 -11.645 7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.252 -11.055 7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.513 -13.239 8.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.431 -13.316 7.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.020 -13.887 6.895 1.00 0.00 H new ATOM 701 N ALA A 56 1.940 -10.760 1.002 1.00 0.00 N ATOM 702 CA ALA A 56 1.752 -10.761 -0.443 1.00 0.00 C ATOM 703 C ALA A 56 2.977 -10.197 -1.156 1.00 0.00 C ATOM 704 O ALA A 56 3.762 -9.455 -0.567 1.00 0.00 O ATOM 705 CB ALA A 56 0.510 -9.966 -0.815 1.00 0.00 C ATOM 0 H ALA A 56 1.662 -9.894 1.463 1.00 0.00 H new ATOM 0 HA ALA A 56 1.619 -11.793 -0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.383 -9.976 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.364 -10.414 -0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.620 -8.937 -0.472 1.00 0.00 H new ATOM 711 N GLU A 57 3.133 -10.555 -2.427 1.00 0.00 N ATOM 712 CA GLU A 57 4.264 -10.085 -3.219 1.00 0.00 C ATOM 713 C GLU A 57 4.163 -8.583 -3.473 1.00 0.00 C ATOM 714 O GLU A 57 3.310 -8.127 -4.234 1.00 0.00 O ATOM 715 CB GLU A 57 4.329 -10.835 -4.551 1.00 0.00 C ATOM 716 CG GLU A 57 5.734 -10.944 -5.119 1.00 0.00 C ATOM 717 CD GLU A 57 5.741 -11.191 -6.615 1.00 0.00 C ATOM 718 OE1 GLU A 57 4.779 -10.767 -7.290 1.00 0.00 O ATOM 719 OE2 GLU A 57 6.706 -11.808 -7.111 1.00 0.00 O ATOM 0 H GLU A 57 2.491 -11.168 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 57 5.176 -10.281 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.922 -11.837 -4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.691 -10.328 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.281 -10.026 -4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.262 -11.755 -4.618 1.00 0.00 H new ATOM 726 N VAL A 58 5.041 -7.820 -2.829 1.00 0.00 N ATOM 727 CA VAL A 58 5.052 -6.371 -2.985 1.00 0.00 C ATOM 728 C VAL A 58 6.356 -5.896 -3.617 1.00 0.00 C ATOM 729 O VAL A 58 7.426 -6.434 -3.335 1.00 0.00 O ATOM 730 CB VAL A 58 4.861 -5.659 -1.632 1.00 0.00 C ATOM 731 CG1 VAL A 58 4.949 -4.151 -1.804 1.00 0.00 C ATOM 732 CG2 VAL A 58 3.534 -6.057 -1.004 1.00 0.00 C ATOM 0 H VAL A 58 5.753 -8.182 -2.195 1.00 0.00 H new ATOM 0 HA VAL A 58 4.220 -6.117 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 58 5.662 -5.970 -0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.812 -3.666 -0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.927 -3.887 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.172 -3.817 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.415 -5.545 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.718 -5.777 -1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.517 -7.135 -0.842 1.00 0.00 H new ATOM 742 N SER A 59 6.258 -4.884 -4.473 1.00 0.00 N ATOM 743 CA SER A 59 7.429 -4.338 -5.148 1.00 0.00 C ATOM 744 C SER A 59 7.266 -2.841 -5.393 1.00 0.00 C ATOM 745 O SER A 59 6.155 -2.351 -5.596 1.00 0.00 O ATOM 746 CB SER A 59 7.661 -5.061 -6.476 1.00 0.00 C ATOM 747 OG SER A 59 8.747 -4.489 -7.185 1.00 0.00 O ATOM 0 H SER A 59 5.380 -4.426 -4.715 1.00 0.00 H new ATOM 0 HA SER A 59 8.294 -4.491 -4.503 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.860 -6.116 -6.289 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.758 -5.010 -7.084 1.00 0.00 H new ATOM 0 HG SER A 59 8.876 -4.970 -8.029 1.00 0.00 H new ATOM 753 N ILE A 60 8.382 -2.120 -5.373 1.00 0.00 N ATOM 754 CA ILE A 60 8.364 -0.679 -5.593 1.00 0.00 C ATOM 755 C ILE A 60 9.324 -0.282 -6.709 1.00 0.00 C ATOM 756 O ILE A 60 10.404 -0.857 -6.846 1.00 0.00 O ATOM 757 CB ILE A 60 8.737 0.091 -4.313 1.00 0.00 C ATOM 758 CG1 ILE A 60 7.800 -0.297 -3.167 1.00 0.00 C ATOM 759 CG2 ILE A 60 8.684 1.591 -4.563 1.00 0.00 C ATOM 760 CD1 ILE A 60 8.438 -0.185 -1.800 1.00 0.00 C ATOM 0 H ILE A 60 9.310 -2.510 -5.207 1.00 0.00 H new ATOM 0 HA ILE A 60 7.346 -0.417 -5.881 1.00 0.00 H new ATOM 0 HB ILE A 60 9.756 -0.175 -4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.916 0.340 -3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.460 -1.322 -3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.950 2.122 -3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.388 1.853 -5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.676 1.874 -4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.716 -0.475 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.305 -0.843 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.753 0.844 -1.629 1.00 0.00 H new ATOM 772 N GLN A 61 8.924 0.706 -7.503 1.00 0.00 N ATOM 773 CA GLN A 61 9.750 1.181 -8.607 1.00 0.00 C ATOM 774 C GLN A 61 9.761 2.705 -8.663 1.00 0.00 C ATOM 775 O GLN A 61 8.727 3.335 -8.879 1.00 0.00 O ATOM 776 CB GLN A 61 9.241 0.614 -9.934 1.00 0.00 C ATOM 777 CG GLN A 61 10.293 0.593 -11.030 1.00 0.00 C ATOM 778 CD GLN A 61 9.690 0.476 -12.416 1.00 0.00 C ATOM 779 OE1 GLN A 61 8.893 -0.424 -12.685 1.00 0.00 O ATOM 780 NE2 GLN A 61 10.066 1.387 -13.305 1.00 0.00 N ATOM 0 H GLN A 61 8.033 1.193 -7.403 1.00 0.00 H new ATOM 0 HA GLN A 61 10.770 0.834 -8.439 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.878 -0.401 -9.771 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.390 1.206 -10.270 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.889 1.504 -10.973 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.971 -0.243 -10.861 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.729 2.115 -13.040 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.692 1.359 -14.254 1.00 0.00 H new ATOM 858 N THR A 67 8.301 9.910 -8.215 1.00 0.00 N ATOM 859 CA THR A 67 7.172 9.068 -7.842 1.00 0.00 C ATOM 860 C THR A 67 7.595 7.610 -7.706 1.00 0.00 C ATOM 861 O THR A 67 8.688 7.228 -8.127 1.00 0.00 O ATOM 862 CB THR A 67 6.033 9.166 -8.875 1.00 0.00 C ATOM 863 OG1 THR A 67 6.515 8.798 -10.172 1.00 0.00 O ATOM 864 CG2 THR A 67 5.464 10.576 -8.920 1.00 0.00 C ATOM 0 HA THR A 67 6.812 9.430 -6.879 1.00 0.00 H new ATOM 0 HB THR A 67 5.240 8.481 -8.576 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.463 9.034 -10.248 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.661 10.621 -9.656 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.071 10.841 -7.938 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.251 11.277 -9.198 1.00 0.00 H new ATOM 872 N TYR A 68 6.724 6.798 -7.116 1.00 0.00 N ATOM 873 CA TYR A 68 7.009 5.382 -6.923 1.00 0.00 C ATOM 874 C TYR A 68 5.811 4.526 -7.324 1.00 0.00 C ATOM 875 O TYR A 68 4.676 4.812 -6.946 1.00 0.00 O ATOM 876 CB TYR A 68 7.380 5.109 -5.465 1.00 0.00 C ATOM 877 CG TYR A 68 8.618 5.845 -5.007 1.00 0.00 C ATOM 878 CD1 TYR A 68 8.549 7.168 -4.588 1.00 0.00 C ATOM 879 CD2 TYR A 68 9.858 5.217 -4.991 1.00 0.00 C ATOM 880 CE1 TYR A 68 9.678 7.845 -4.170 1.00 0.00 C ATOM 881 CE2 TYR A 68 10.992 5.886 -4.573 1.00 0.00 C ATOM 882 CZ TYR A 68 10.897 7.199 -4.164 1.00 0.00 C ATOM 883 OH TYR A 68 12.024 7.870 -3.746 1.00 0.00 O ATOM 0 H TYR A 68 5.815 7.097 -6.763 1.00 0.00 H new ATOM 0 HA TYR A 68 7.852 5.117 -7.561 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.543 5.392 -4.827 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.534 4.038 -5.333 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.596 7.676 -4.589 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.936 4.188 -5.311 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.607 8.874 -3.850 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.948 5.383 -4.567 1.00 0.00 H new ATOM 0 HH TYR A 68 12.799 7.273 -3.801 1.00 0.00 H new ATOM 893 N ALA A 69 6.075 3.474 -8.092 1.00 0.00 N ATOM 894 CA ALA A 69 5.021 2.574 -8.543 1.00 0.00 C ATOM 895 C ALA A 69 4.964 1.318 -7.679 1.00 0.00 C ATOM 896 O ALA A 69 5.694 0.356 -7.915 1.00 0.00 O ATOM 897 CB ALA A 69 5.232 2.202 -10.003 1.00 0.00 C ATOM 0 H ALA A 69 7.010 3.224 -8.415 1.00 0.00 H new ATOM 0 HA ALA A 69 4.068 3.094 -8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.437 1.529 -10.326 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.215 3.104 -10.615 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.196 1.705 -10.116 1.00 0.00 H new ATOM 903 N VAL A 70 4.092 1.336 -6.675 1.00 0.00 N ATOM 904 CA VAL A 70 3.940 0.199 -5.775 1.00 0.00 C ATOM 905 C VAL A 70 2.849 -0.747 -6.265 1.00 0.00 C ATOM 906 O VAL A 70 1.827 -0.313 -6.797 1.00 0.00 O ATOM 907 CB VAL A 70 3.602 0.656 -4.344 1.00 0.00 C ATOM 908 CG1 VAL A 70 3.164 -0.526 -3.494 1.00 0.00 C ATOM 909 CG2 VAL A 70 4.795 1.362 -3.716 1.00 0.00 C ATOM 0 H VAL A 70 3.481 2.125 -6.465 1.00 0.00 H new ATOM 0 HA VAL A 70 4.895 -0.326 -5.764 1.00 0.00 H new ATOM 0 HB VAL A 70 2.774 1.363 -4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.930 -0.183 -2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.279 -0.984 -3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.969 -1.260 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.539 1.679 -2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.644 0.679 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.057 2.235 -4.314 1.00 0.00 H new ATOM 919 N THR A 71 3.072 -2.045 -6.081 1.00 0.00 N ATOM 920 CA THR A 71 2.108 -3.053 -6.504 1.00 0.00 C ATOM 921 C THR A 71 2.088 -4.233 -5.539 1.00 0.00 C ATOM 922 O THR A 71 3.091 -4.538 -4.895 1.00 0.00 O ATOM 923 CB THR A 71 2.422 -3.570 -7.921 1.00 0.00 C ATOM 924 OG1 THR A 71 3.048 -2.538 -8.691 1.00 0.00 O ATOM 925 CG2 THR A 71 1.153 -4.032 -8.621 1.00 0.00 C ATOM 0 H THR A 71 3.912 -2.422 -5.642 1.00 0.00 H new ATOM 0 HA THR A 71 1.129 -2.573 -6.508 1.00 0.00 H new ATOM 0 HB THR A 71 3.100 -4.419 -7.833 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.246 -2.875 -9.590 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.399 -4.393 -9.620 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.694 -4.837 -8.047 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.456 -3.198 -8.698 1.00 0.00 H new ATOM 933 N TYR A 72 0.939 -4.894 -5.444 1.00 0.00 N ATOM 934 CA TYR A 72 0.787 -6.040 -4.556 1.00 0.00 C ATOM 935 C TYR A 72 -0.086 -7.114 -5.197 1.00 0.00 C ATOM 936 O TYR A 72 -1.166 -6.827 -5.712 1.00 0.00 O ATOM 937 CB TYR A 72 0.179 -5.601 -3.223 1.00 0.00 C ATOM 938 CG TYR A 72 -1.317 -5.386 -3.281 1.00 0.00 C ATOM 939 CD1 TYR A 72 -2.196 -6.460 -3.223 1.00 0.00 C ATOM 940 CD2 TYR A 72 -1.850 -4.108 -3.394 1.00 0.00 C ATOM 941 CE1 TYR A 72 -3.563 -6.267 -3.277 1.00 0.00 C ATOM 942 CE2 TYR A 72 -3.216 -3.906 -3.447 1.00 0.00 C ATOM 943 CZ TYR A 72 -4.068 -4.989 -3.389 1.00 0.00 C ATOM 944 OH TYR A 72 -5.429 -4.793 -3.441 1.00 0.00 O ATOM 0 H TYR A 72 0.099 -4.655 -5.972 1.00 0.00 H new ATOM 0 HA TYR A 72 1.776 -6.462 -4.376 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.400 -6.354 -2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.658 -4.676 -2.902 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.804 -7.463 -3.134 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.185 -3.258 -3.441 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.233 -7.113 -3.232 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.614 -2.906 -3.533 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.625 -3.837 -3.353 1.00 0.00 H new ATOM 954 N VAL A 73 0.392 -8.354 -5.161 1.00 0.00 N ATOM 955 CA VAL A 73 -0.344 -9.474 -5.736 1.00 0.00 C ATOM 956 C VAL A 73 -0.829 -10.428 -4.651 1.00 0.00 C ATOM 957 O VAL A 73 -0.074 -11.247 -4.126 1.00 0.00 O ATOM 958 CB VAL A 73 0.520 -10.256 -6.743 1.00 0.00 C ATOM 959 CG1 VAL A 73 -0.244 -11.453 -7.287 1.00 0.00 C ATOM 960 CG2 VAL A 73 0.976 -9.345 -7.873 1.00 0.00 C ATOM 0 H VAL A 73 1.285 -8.608 -4.740 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.204 -9.053 -6.257 1.00 0.00 H new ATOM 0 HB VAL A 73 1.405 -10.626 -6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.383 -11.993 -7.997 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.515 -12.116 -6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.148 -11.110 -7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.585 -9.914 -8.575 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.105 -8.943 -8.391 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.565 -8.524 -7.464 1.00 0.00 H new ATOM 970 N PRO A 74 -2.121 -10.323 -4.305 1.00 0.00 N ATOM 971 CA PRO A 74 -2.737 -11.170 -3.279 1.00 0.00 C ATOM 972 C PRO A 74 -2.875 -12.620 -3.730 1.00 0.00 C ATOM 973 O PRO A 74 -3.513 -12.908 -4.743 1.00 0.00 O ATOM 974 CB PRO A 74 -4.117 -10.539 -3.080 1.00 0.00 C ATOM 975 CG PRO A 74 -4.407 -9.847 -4.367 1.00 0.00 C ATOM 976 CD PRO A 74 -3.080 -9.370 -4.889 1.00 0.00 C ATOM 0 HA PRO A 74 -2.136 -11.211 -2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.870 -11.296 -2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.115 -9.838 -2.245 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.884 -10.524 -5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.090 -9.011 -4.215 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.048 -9.385 -5.978 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.870 -8.347 -4.578 1.00 0.00 H new ATOM 984 N LEU A 75 -2.272 -13.530 -2.972 1.00 0.00 N ATOM 985 CA LEU A 75 -2.328 -14.952 -3.294 1.00 0.00 C ATOM 986 C LEU A 75 -3.619 -15.577 -2.776 1.00 0.00 C ATOM 987 O LEU A 75 -4.141 -16.527 -3.361 1.00 0.00 O ATOM 988 CB LEU A 75 -1.121 -15.678 -2.698 1.00 0.00 C ATOM 989 CG LEU A 75 0.252 -15.183 -3.154 1.00 0.00 C ATOM 990 CD1 LEU A 75 1.351 -15.791 -2.296 1.00 0.00 C ATOM 991 CD2 LEU A 75 0.477 -15.513 -4.623 1.00 0.00 C ATOM 0 H LEU A 75 -1.739 -13.309 -2.131 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.306 -15.055 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.173 -15.596 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.203 -16.737 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 75 0.284 -14.100 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.321 -15.427 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.200 -15.505 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.321 -16.877 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.459 -15.153 -4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.425 -16.592 -4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.292 -15.030 -5.226 1.00 0.00 H new ATOM 1003 N THR A 76 -4.132 -15.037 -1.675 1.00 0.00 N ATOM 1004 CA THR A 76 -5.363 -15.541 -1.078 1.00 0.00 C ATOM 1005 C THR A 76 -6.382 -14.423 -0.894 1.00 0.00 C ATOM 1006 O THR A 76 -6.057 -13.351 -0.385 1.00 0.00 O ATOM 1007 CB THR A 76 -5.095 -16.205 0.286 1.00 0.00 C ATOM 1008 OG1 THR A 76 -6.285 -16.841 0.763 1.00 0.00 O ATOM 1009 CG2 THR A 76 -4.618 -15.179 1.303 1.00 0.00 C ATOM 0 H THR A 76 -3.714 -14.250 -1.178 1.00 0.00 H new ATOM 0 HA THR A 76 -5.765 -16.286 -1.764 1.00 0.00 H new ATOM 0 HB THR A 76 -4.313 -16.952 0.154 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.106 -17.262 1.630 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.435 -15.671 2.258 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.695 -14.718 0.950 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.381 -14.411 1.431 1.00 0.00 H new ATOM 1017 N ALA A 77 -7.618 -14.680 -1.312 1.00 0.00 N ATOM 1018 CA ALA A 77 -8.686 -13.696 -1.190 1.00 0.00 C ATOM 1019 C ALA A 77 -9.003 -13.408 0.273 1.00 0.00 C ATOM 1020 O ALA A 77 -8.674 -14.198 1.157 1.00 0.00 O ATOM 1021 CB ALA A 77 -9.932 -14.177 -1.918 1.00 0.00 C ATOM 0 H ALA A 77 -7.904 -15.562 -1.738 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.346 -12.768 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.722 -13.432 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.703 -14.324 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.266 -15.120 -1.484 1.00 0.00 H new ATOM 1027 N GLY A 78 -9.645 -12.271 0.522 1.00 0.00 N ATOM 1028 CA GLY A 78 -9.996 -11.899 1.881 1.00 0.00 C ATOM 1029 C GLY A 78 -9.574 -10.483 2.221 1.00 0.00 C ATOM 1030 O GLY A 78 -9.085 -9.751 1.362 1.00 0.00 O ATOM 0 H GLY A 78 -9.928 -11.601 -0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.073 -11.996 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.525 -12.593 2.578 1.00 0.00 H new ATOM 1034 N MET A 79 -9.765 -10.097 3.479 1.00 0.00 N ATOM 1035 CA MET A 79 -9.401 -8.759 3.930 1.00 0.00 C ATOM 1036 C MET A 79 -7.886 -8.617 4.043 1.00 0.00 C ATOM 1037 O MET A 79 -7.209 -9.494 4.579 1.00 0.00 O ATOM 1038 CB MET A 79 -10.055 -8.458 5.280 1.00 0.00 C ATOM 1039 CG MET A 79 -11.548 -8.190 5.185 1.00 0.00 C ATOM 1040 SD MET A 79 -11.945 -6.867 4.026 1.00 0.00 S ATOM 1041 CE MET A 79 -11.505 -5.426 4.995 1.00 0.00 C ATOM 0 H MET A 79 -10.169 -10.691 4.203 1.00 0.00 H new ATOM 0 HA MET A 79 -9.761 -8.043 3.192 1.00 0.00 H new ATOM 0 HB2 MET A 79 -9.887 -9.300 5.952 1.00 0.00 H new ATOM 0 HB3 MET A 79 -9.566 -7.592 5.726 1.00 0.00 H new ATOM 0 HG2 MET A 79 -12.058 -9.103 4.877 1.00 0.00 H new ATOM 0 HG3 MET A 79 -11.930 -7.929 6.172 1.00 0.00 H new ATOM 0 HE1 MET A 79 -12.334 -4.719 4.992 1.00 0.00 H new ATOM 0 HE2 MET A 79 -11.290 -5.729 6.020 1.00 0.00 H new ATOM 0 HE3 MET A 79 -10.623 -4.953 4.564 1.00 0.00 H new ATOM 1051 N TYR A 80 -7.362 -7.507 3.534 1.00 0.00 N ATOM 1052 CA TYR A 80 -5.927 -7.252 3.576 1.00 0.00 C ATOM 1053 C TYR A 80 -5.622 -5.979 4.360 1.00 0.00 C ATOM 1054 O TYR A 80 -6.448 -5.069 4.436 1.00 0.00 O ATOM 1055 CB TYR A 80 -5.367 -7.136 2.157 1.00 0.00 C ATOM 1056 CG TYR A 80 -4.912 -8.456 1.576 1.00 0.00 C ATOM 1057 CD1 TYR A 80 -5.804 -9.293 0.918 1.00 0.00 C ATOM 1058 CD2 TYR A 80 -3.588 -8.865 1.684 1.00 0.00 C ATOM 1059 CE1 TYR A 80 -5.393 -10.499 0.386 1.00 0.00 C ATOM 1060 CE2 TYR A 80 -3.167 -10.069 1.154 1.00 0.00 C ATOM 1061 CZ TYR A 80 -4.074 -10.883 0.507 1.00 0.00 C ATOM 1062 OH TYR A 80 -3.659 -12.084 -0.023 1.00 0.00 O ATOM 0 H TYR A 80 -7.909 -6.770 3.088 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.449 -8.091 4.081 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.130 -6.707 1.508 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.526 -6.442 2.163 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.838 -8.995 0.821 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.876 -8.230 2.191 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.100 -11.138 -0.122 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.134 -10.371 1.245 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.427 -12.686 -0.109 1.00 0.00 H new ATOM 1072 N THR A 81 -4.429 -5.922 4.943 1.00 0.00 N ATOM 1073 CA THR A 81 -4.014 -4.763 5.722 1.00 0.00 C ATOM 1074 C THR A 81 -2.754 -4.132 5.141 1.00 0.00 C ATOM 1075 O THR A 81 -1.638 -4.562 5.437 1.00 0.00 O ATOM 1076 CB THR A 81 -3.753 -5.139 7.193 1.00 0.00 C ATOM 1077 OG1 THR A 81 -4.947 -5.667 7.783 1.00 0.00 O ATOM 1078 CG2 THR A 81 -3.283 -3.929 7.986 1.00 0.00 C ATOM 0 H THR A 81 -3.733 -6.666 4.890 1.00 0.00 H new ATOM 0 HA THR A 81 -4.832 -4.044 5.677 1.00 0.00 H new ATOM 0 HB THR A 81 -2.970 -5.897 7.218 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.772 -5.905 8.717 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.105 -4.219 9.021 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.359 -3.547 7.553 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.048 -3.153 7.953 1.00 0.00 H new ATOM 1086 N LEU A 82 -2.938 -3.111 4.312 1.00 0.00 N ATOM 1087 CA LEU A 82 -1.815 -2.419 3.688 1.00 0.00 C ATOM 1088 C LEU A 82 -1.089 -1.538 4.699 1.00 0.00 C ATOM 1089 O LEU A 82 -1.710 -0.754 5.417 1.00 0.00 O ATOM 1090 CB LEU A 82 -2.303 -1.570 2.513 1.00 0.00 C ATOM 1091 CG LEU A 82 -3.376 -2.204 1.626 1.00 0.00 C ATOM 1092 CD1 LEU A 82 -3.992 -1.161 0.706 1.00 0.00 C ATOM 1093 CD2 LEU A 82 -2.789 -3.352 0.818 1.00 0.00 C ATOM 0 H LEU A 82 -3.854 -2.743 4.056 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.116 -3.170 3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.693 -0.631 2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.444 -1.322 1.889 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.162 -2.602 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.753 -1.630 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.448 -0.372 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.217 -0.732 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.566 -3.791 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.983 -2.978 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.396 -4.110 1.495 1.00 0.00 H new ATOM 1105 N THR A 83 0.233 -1.672 4.750 1.00 0.00 N ATOM 1106 CA THR A 83 1.045 -0.888 5.673 1.00 0.00 C ATOM 1107 C THR A 83 2.206 -0.216 4.948 1.00 0.00 C ATOM 1108 O THR A 83 3.194 -0.864 4.605 1.00 0.00 O ATOM 1109 CB THR A 83 1.603 -1.762 6.812 1.00 0.00 C ATOM 1110 OG1 THR A 83 0.541 -2.496 7.431 1.00 0.00 O ATOM 1111 CG2 THR A 83 2.309 -0.907 7.854 1.00 0.00 C ATOM 0 H THR A 83 0.764 -2.316 4.163 1.00 0.00 H new ATOM 0 HA THR A 83 0.393 -0.124 6.097 1.00 0.00 H new ATOM 0 HB THR A 83 2.325 -2.458 6.386 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.904 -3.051 8.153 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.695 -1.546 8.648 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.135 -0.371 7.386 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.604 -0.190 8.275 1.00 0.00 H new ATOM 1119 N MET A 84 2.080 1.087 4.719 1.00 0.00 N ATOM 1120 CA MET A 84 3.121 1.847 4.037 1.00 0.00 C ATOM 1121 C MET A 84 3.879 2.734 5.019 1.00 0.00 C ATOM 1122 O MET A 84 3.276 3.434 5.832 1.00 0.00 O ATOM 1123 CB MET A 84 2.511 2.702 2.924 1.00 0.00 C ATOM 1124 CG MET A 84 3.544 3.297 1.980 1.00 0.00 C ATOM 1125 SD MET A 84 2.795 4.227 0.629 1.00 0.00 S ATOM 1126 CE MET A 84 2.479 2.916 -0.550 1.00 0.00 C ATOM 0 H MET A 84 1.268 1.638 4.996 1.00 0.00 H new ATOM 0 HA MET A 84 3.824 1.139 3.598 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.814 2.092 2.349 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.933 3.510 3.373 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.209 3.952 2.542 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.158 2.496 1.568 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.528 3.098 -1.050 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.279 2.891 -1.290 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.437 1.960 -0.028 1.00 0.00 H new ATOM 1136 N LYS A 85 5.205 2.700 4.939 1.00 0.00 N ATOM 1137 CA LYS A 85 6.046 3.501 5.820 1.00 0.00 C ATOM 1138 C LYS A 85 7.129 4.225 5.027 1.00 0.00 C ATOM 1139 O LYS A 85 7.942 3.596 4.349 1.00 0.00 O ATOM 1140 CB LYS A 85 6.689 2.616 6.890 1.00 0.00 C ATOM 1141 CG LYS A 85 5.800 2.380 8.098 1.00 0.00 C ATOM 1142 CD LYS A 85 6.619 2.163 9.359 1.00 0.00 C ATOM 1143 CE LYS A 85 5.858 1.335 10.383 1.00 0.00 C ATOM 1144 NZ LYS A 85 6.756 0.807 11.448 1.00 0.00 N ATOM 0 H LYS A 85 5.721 2.126 4.272 1.00 0.00 H new ATOM 0 HA LYS A 85 5.415 4.246 6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.948 1.655 6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.620 3.077 7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.138 3.235 8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.166 1.511 7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.553 1.661 9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.883 3.127 9.793 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.077 1.946 10.836 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.362 0.504 9.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.199 0.248 12.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.486 0.203 11.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.210 1.600 11.944 1.00 0.00 H new ATOM 1158 N TYR A 86 7.136 5.551 5.117 1.00 0.00 N ATOM 1159 CA TYR A 86 8.119 6.360 4.407 1.00 0.00 C ATOM 1160 C TYR A 86 9.226 6.824 5.349 1.00 0.00 C ATOM 1161 O TYR A 86 8.983 7.589 6.282 1.00 0.00 O ATOM 1162 CB TYR A 86 7.443 7.571 3.762 1.00 0.00 C ATOM 1163 CG TYR A 86 8.342 8.333 2.815 1.00 0.00 C ATOM 1164 CD1 TYR A 86 8.455 7.960 1.481 1.00 0.00 C ATOM 1165 CD2 TYR A 86 9.078 9.427 3.254 1.00 0.00 C ATOM 1166 CE1 TYR A 86 9.276 8.653 0.613 1.00 0.00 C ATOM 1167 CE2 TYR A 86 9.900 10.127 2.392 1.00 0.00 C ATOM 1168 CZ TYR A 86 9.996 9.736 1.073 1.00 0.00 C ATOM 1169 OH TYR A 86 10.814 10.430 0.210 1.00 0.00 O ATOM 0 H TYR A 86 6.472 6.088 5.675 1.00 0.00 H new ATOM 0 HA TYR A 86 8.565 5.742 3.627 1.00 0.00 H new ATOM 0 HB2 TYR A 86 6.558 7.237 3.220 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.100 8.246 4.546 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.891 7.114 1.117 1.00 0.00 H new ATOM 0 HD2 TYR A 86 9.006 9.735 4.287 1.00 0.00 H new ATOM 0 HE1 TYR A 86 9.354 8.349 -0.420 1.00 0.00 H new ATOM 0 HE2 TYR A 86 10.464 10.976 2.749 1.00 0.00 H new ATOM 0 HH TYR A 86 11.249 11.165 0.691 1.00 0.00 H new ATOM 1179 N GLY A 87 10.444 6.354 5.098 1.00 0.00 N ATOM 1180 CA GLY A 87 11.571 6.730 5.931 1.00 0.00 C ATOM 1181 C GLY A 87 11.500 6.116 7.315 1.00 0.00 C ATOM 1182 O GLY A 87 12.406 6.293 8.128 1.00 0.00 O ATOM 0 H GLY A 87 10.670 5.719 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.497 6.419 5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 87 11.607 7.816 6.020 1.00 0.00 H new ATOM 1186 N GLY A 88 10.417 5.392 7.584 1.00 0.00 N ATOM 1187 CA GLY A 88 10.250 4.762 8.881 1.00 0.00 C ATOM 1188 C GLY A 88 9.023 5.264 9.616 1.00 0.00 C ATOM 1189 O GLY A 88 8.792 4.902 10.769 1.00 0.00 O ATOM 0 H GLY A 88 9.653 5.231 6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.175 3.682 8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.135 4.949 9.489 1.00 0.00 H new ATOM 1193 N GLU A 89 8.236 6.102 8.948 1.00 0.00 N ATOM 1194 CA GLU A 89 7.028 6.656 9.547 1.00 0.00 C ATOM 1195 C GLU A 89 5.807 6.361 8.681 1.00 0.00 C ATOM 1196 O GLU A 89 5.868 6.439 7.453 1.00 0.00 O ATOM 1197 CB GLU A 89 7.176 8.166 9.742 1.00 0.00 C ATOM 1198 CG GLU A 89 8.343 8.554 10.634 1.00 0.00 C ATOM 1199 CD GLU A 89 7.950 8.666 12.094 1.00 0.00 C ATOM 1200 OE1 GLU A 89 7.173 7.810 12.567 1.00 0.00 O ATOM 1201 OE2 GLU A 89 8.418 9.611 12.763 1.00 0.00 O ATOM 0 H GLU A 89 8.414 6.412 7.992 1.00 0.00 H new ATOM 0 HA GLU A 89 6.885 6.184 10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.302 8.639 8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.255 8.560 10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.136 7.813 10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.751 9.507 10.298 1.00 0.00 H new ATOM 1208 N LEU A 90 4.698 6.021 9.329 1.00 0.00 N ATOM 1209 CA LEU A 90 3.461 5.713 8.619 1.00 0.00 C ATOM 1210 C LEU A 90 2.991 6.910 7.799 1.00 0.00 C ATOM 1211 O LEU A 90 3.213 8.061 8.177 1.00 0.00 O ATOM 1212 CB LEU A 90 2.371 5.300 9.610 1.00 0.00 C ATOM 1213 CG LEU A 90 2.277 3.805 9.918 1.00 0.00 C ATOM 1214 CD1 LEU A 90 1.235 3.547 10.996 1.00 0.00 C ATOM 1215 CD2 LEU A 90 1.946 3.020 8.657 1.00 0.00 C ATOM 0 H LEU A 90 4.630 5.952 10.344 1.00 0.00 H new ATOM 0 HA LEU A 90 3.658 4.885 7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.537 5.834 10.546 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.409 5.632 9.220 1.00 0.00 H new ATOM 0 HG LEU A 90 3.245 3.469 10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.182 2.478 11.202 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.513 4.079 11.906 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.262 3.899 10.653 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.883 1.958 8.895 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.990 3.359 8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.727 3.179 7.914 1.00 0.00 H new ATOM 1227 N VAL A 91 2.338 6.632 6.675 1.00 0.00 N ATOM 1228 CA VAL A 91 1.834 7.686 5.803 1.00 0.00 C ATOM 1229 C VAL A 91 0.359 7.962 6.072 1.00 0.00 C ATOM 1230 O VAL A 91 -0.350 7.156 6.675 1.00 0.00 O ATOM 1231 CB VAL A 91 2.014 7.319 4.318 1.00 0.00 C ATOM 1232 CG1 VAL A 91 3.302 7.917 3.773 1.00 0.00 C ATOM 1233 CG2 VAL A 91 1.998 5.809 4.136 1.00 0.00 C ATOM 0 H VAL A 91 2.146 5.686 6.347 1.00 0.00 H new ATOM 0 HA VAL A 91 2.414 8.583 6.021 1.00 0.00 H new ATOM 0 HB VAL A 91 1.180 7.738 3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.412 7.647 2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.268 9.002 3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.150 7.530 4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.126 5.568 3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.810 5.365 4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.046 5.410 4.486 1.00 0.00 H new ATOM 1243 N PRO A 92 -0.118 9.129 5.613 1.00 0.00 N ATOM 1244 CA PRO A 92 -1.514 9.539 5.791 1.00 0.00 C ATOM 1245 C PRO A 92 -2.475 8.704 4.951 1.00 0.00 C ATOM 1246 O PRO A 92 -3.677 8.967 4.920 1.00 0.00 O ATOM 1247 CB PRO A 92 -1.519 10.995 5.320 1.00 0.00 C ATOM 1248 CG PRO A 92 -0.374 11.091 4.372 1.00 0.00 C ATOM 1249 CD PRO A 92 0.670 10.138 4.885 1.00 0.00 C ATOM 0 HA PRO A 92 -1.849 9.408 6.820 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.460 11.250 4.832 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.398 11.682 6.157 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.682 10.825 3.361 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.014 12.109 4.330 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.241 9.691 4.071 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.384 10.638 5.539 1.00 0.00 H new ATOM 1257 N HIS A 93 -1.936 7.697 4.270 1.00 0.00 N ATOM 1258 CA HIS A 93 -2.747 6.823 3.430 1.00 0.00 C ATOM 1259 C HIS A 93 -2.610 5.368 3.868 1.00 0.00 C ATOM 1260 O HIS A 93 -2.890 4.448 3.099 1.00 0.00 O ATOM 1261 CB HIS A 93 -2.338 6.967 1.964 1.00 0.00 C ATOM 1262 CG HIS A 93 -2.918 8.176 1.296 1.00 0.00 C ATOM 1263 ND1 HIS A 93 -4.017 8.123 0.465 1.00 0.00 N ATOM 1264 CD2 HIS A 93 -2.545 9.476 1.342 1.00 0.00 C ATOM 1265 CE1 HIS A 93 -4.295 9.338 0.028 1.00 0.00 C ATOM 1266 NE2 HIS A 93 -3.416 10.178 0.545 1.00 0.00 N ATOM 0 H HIS A 93 -0.942 7.467 4.284 1.00 0.00 H new ATOM 0 HA HIS A 93 -3.790 7.120 3.540 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.251 7.014 1.902 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -2.650 6.076 1.419 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -1.717 9.885 1.901 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -5.103 9.600 -0.639 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.389 11.184 0.379 1.00 0.00 H new ATOM 1275 N PHE A 94 -2.176 5.167 5.108 1.00 0.00 N ATOM 1276 CA PHE A 94 -2.000 3.824 5.648 1.00 0.00 C ATOM 1277 C PHE A 94 -2.031 3.842 7.174 1.00 0.00 C ATOM 1278 O PHE A 94 -1.699 4.839 7.814 1.00 0.00 O ATOM 1279 CB PHE A 94 -0.679 3.225 5.161 1.00 0.00 C ATOM 1280 CG PHE A 94 -0.606 3.068 3.669 1.00 0.00 C ATOM 1281 CD1 PHE A 94 -0.369 4.164 2.855 1.00 0.00 C ATOM 1282 CD2 PHE A 94 -0.774 1.825 3.081 1.00 0.00 C ATOM 1283 CE1 PHE A 94 -0.302 4.022 1.482 1.00 0.00 C ATOM 1284 CE2 PHE A 94 -0.707 1.677 1.708 1.00 0.00 C ATOM 1285 CZ PHE A 94 -0.470 2.777 0.908 1.00 0.00 C ATOM 0 H PHE A 94 -1.940 5.917 5.758 1.00 0.00 H new ATOM 0 HA PHE A 94 -2.825 3.206 5.293 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.143 3.860 5.492 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.537 2.251 5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.235 5.140 3.298 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.959 0.961 3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -0.118 4.884 0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.840 0.702 1.262 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.416 2.664 -0.165 1.00 0.00 H new ATOM 1295 N PRO A 95 -2.441 2.713 7.770 1.00 0.00 N ATOM 1296 CA PRO A 95 -2.840 1.520 7.018 1.00 0.00 C ATOM 1297 C PRO A 95 -4.154 1.718 6.271 1.00 0.00 C ATOM 1298 O PRO A 95 -4.975 2.553 6.650 1.00 0.00 O ATOM 1299 CB PRO A 95 -2.997 0.452 8.103 1.00 0.00 C ATOM 1300 CG PRO A 95 -3.298 1.217 9.346 1.00 0.00 C ATOM 1301 CD PRO A 95 -2.547 2.514 9.225 1.00 0.00 C ATOM 0 HA PRO A 95 -2.112 1.261 6.249 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.801 -0.243 7.861 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.087 -0.139 8.212 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.369 1.394 9.446 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.982 0.664 10.231 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.081 3.334 9.705 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.565 2.455 9.695 1.00 0.00 H new ATOM 1309 N ALA A 96 -4.347 0.944 5.207 1.00 0.00 N ATOM 1310 CA ALA A 96 -5.564 1.033 4.409 1.00 0.00 C ATOM 1311 C ALA A 96 -6.116 -0.352 4.093 1.00 0.00 C ATOM 1312 O ALA A 96 -5.536 -1.096 3.301 1.00 0.00 O ATOM 1313 CB ALA A 96 -5.296 1.803 3.124 1.00 0.00 C ATOM 0 H ALA A 96 -3.677 0.249 4.878 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.313 1.569 4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.213 1.862 2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.955 2.809 3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.528 1.290 2.546 1.00 0.00 H new ATOM 1319 N ARG A 97 -7.238 -0.694 4.717 1.00 0.00 N ATOM 1320 CA ARG A 97 -7.867 -1.991 4.503 1.00 0.00 C ATOM 1321 C ARG A 97 -8.510 -2.063 3.120 1.00 0.00 C ATOM 1322 O ARG A 97 -9.069 -1.081 2.633 1.00 0.00 O ATOM 1323 CB ARG A 97 -8.920 -2.256 5.581 1.00 0.00 C ATOM 1324 CG ARG A 97 -10.087 -1.283 5.543 1.00 0.00 C ATOM 1325 CD ARG A 97 -11.209 -1.793 4.653 1.00 0.00 C ATOM 1326 NE ARG A 97 -12.494 -1.186 4.990 1.00 0.00 N ATOM 1327 CZ ARG A 97 -12.838 0.048 4.641 1.00 0.00 C ATOM 1328 NH1 ARG A 97 -11.996 0.803 3.948 1.00 0.00 N ATOM 1329 NH2 ARG A 97 -14.025 0.530 4.985 1.00 0.00 N ATOM 0 H ARG A 97 -7.730 -0.090 5.375 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.093 -2.756 4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.300 -3.271 5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.446 -2.204 6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.465 -1.127 6.553 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.743 -0.315 5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.970 -1.581 3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.284 -2.876 4.749 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.164 -1.741 5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.082 0.436 3.682 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -12.262 1.751 3.681 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.675 -0.048 5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -14.288 1.478 4.716 1.00 0.00 H new ATOM 1343 N VAL A 98 -8.425 -3.233 2.494 1.00 0.00 N ATOM 1344 CA VAL A 98 -8.999 -3.433 1.169 1.00 0.00 C ATOM 1345 C VAL A 98 -9.505 -4.861 0.999 1.00 0.00 C ATOM 1346 O VAL A 98 -8.740 -5.820 1.109 1.00 0.00 O ATOM 1347 CB VAL A 98 -7.972 -3.129 0.061 1.00 0.00 C ATOM 1348 CG1 VAL A 98 -8.597 -3.318 -1.313 1.00 0.00 C ATOM 1349 CG2 VAL A 98 -7.424 -1.718 0.216 1.00 0.00 C ATOM 0 H VAL A 98 -7.964 -4.056 2.883 1.00 0.00 H new ATOM 0 HA VAL A 98 -9.836 -2.741 1.079 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.143 -3.830 0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.857 -3.099 -2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.937 -4.348 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.445 -2.643 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.700 -1.520 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.242 -1.001 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.937 -1.621 1.186 1.00 0.00 H new ATOM 1359 N LYS A 99 -10.799 -4.996 0.730 1.00 0.00 N ATOM 1360 CA LYS A 99 -11.409 -6.307 0.543 1.00 0.00 C ATOM 1361 C LYS A 99 -11.061 -6.878 -0.828 1.00 0.00 C ATOM 1362 O LYS A 99 -11.464 -6.338 -1.858 1.00 0.00 O ATOM 1363 CB LYS A 99 -12.929 -6.212 0.696 1.00 0.00 C ATOM 1364 CG LYS A 99 -13.647 -7.531 0.470 1.00 0.00 C ATOM 1365 CD LYS A 99 -14.928 -7.615 1.282 1.00 0.00 C ATOM 1366 CE LYS A 99 -16.011 -6.712 0.711 1.00 0.00 C ATOM 1367 NZ LYS A 99 -16.475 -7.179 -0.625 1.00 0.00 N ATOM 0 H LYS A 99 -11.446 -4.213 0.637 1.00 0.00 H new ATOM 0 HA LYS A 99 -11.014 -6.976 1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.163 -5.847 1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.311 -5.474 -0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.879 -7.643 -0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.988 -8.356 0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.283 -8.645 1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.724 -7.332 2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.856 -6.680 1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.629 -5.695 0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -17.386 -6.731 -0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.772 -6.920 -1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -16.591 -8.212 -0.610 1.00 0.00 H new ATOM 1381 N VAL A 100 -10.310 -7.976 -0.833 1.00 0.00 N ATOM 1382 CA VAL A 100 -9.910 -8.622 -2.077 1.00 0.00 C ATOM 1383 C VAL A 100 -10.881 -9.735 -2.456 1.00 0.00 C ATOM 1384 O VAL A 100 -11.262 -10.550 -1.617 1.00 0.00 O ATOM 1385 CB VAL A 100 -8.489 -9.208 -1.974 1.00 0.00 C ATOM 1386 CG1 VAL A 100 -8.172 -10.058 -3.194 1.00 0.00 C ATOM 1387 CG2 VAL A 100 -7.465 -8.096 -1.808 1.00 0.00 C ATOM 0 H VAL A 100 -9.967 -8.436 0.010 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.923 -7.854 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.442 -9.848 -1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.164 -10.463 -3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.888 -10.877 -3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.236 -9.444 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.467 -8.528 -1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.511 -7.428 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -7.682 -7.534 -0.900 1.00 0.00 H new ATOM 1397 N GLU A 101 -11.276 -9.762 -3.725 1.00 0.00 N ATOM 1398 CA GLU A 101 -12.204 -10.775 -4.214 1.00 0.00 C ATOM 1399 C GLU A 101 -11.452 -11.930 -4.869 1.00 0.00 C ATOM 1400 O GLU A 101 -10.313 -11.788 -5.315 1.00 0.00 O ATOM 1401 CB GLU A 101 -13.187 -10.160 -5.212 1.00 0.00 C ATOM 1402 CG GLU A 101 -14.388 -9.501 -4.556 1.00 0.00 C ATOM 1403 CD GLU A 101 -15.466 -10.498 -4.177 1.00 0.00 C ATOM 1404 OE1 GLU A 101 -16.009 -11.160 -5.086 1.00 0.00 O ATOM 1405 OE2 GLU A 101 -15.766 -10.616 -2.970 1.00 0.00 O ATOM 0 H GLU A 101 -10.968 -9.095 -4.432 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.760 -11.163 -3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.663 -9.420 -5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.536 -10.938 -5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.062 -8.967 -3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.807 -8.759 -5.236 1.00 0.00 H new ATOM 1412 N PRO A 102 -12.103 -13.101 -4.929 1.00 0.00 N ATOM 1413 CA PRO A 102 -11.515 -14.303 -5.528 1.00 0.00 C ATOM 1414 C PRO A 102 -11.379 -14.189 -7.043 1.00 0.00 C ATOM 1415 O PRO A 102 -12.146 -13.479 -7.692 1.00 0.00 O ATOM 1416 CB PRO A 102 -12.513 -15.405 -5.162 1.00 0.00 C ATOM 1417 CG PRO A 102 -13.809 -14.695 -4.973 1.00 0.00 C ATOM 1418 CD PRO A 102 -13.462 -13.342 -4.418 1.00 0.00 C ATOM 0 HA PRO A 102 -10.504 -14.487 -5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -12.583 -16.154 -5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -12.211 -15.927 -4.254 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -14.345 -14.604 -5.917 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -14.458 -15.243 -4.290 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -14.160 -12.577 -4.758 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -13.488 -13.336 -3.328 1.00 0.00 H new ATOM 1426 N ALA A 103 -10.400 -14.894 -7.599 1.00 0.00 N ATOM 1427 CA ALA A 103 -10.166 -14.874 -9.037 1.00 0.00 C ATOM 1428 C ALA A 103 -10.940 -15.986 -9.736 1.00 0.00 C ATOM 1429 O ALA A 103 -10.457 -16.583 -10.698 1.00 0.00 O ATOM 1430 CB ALA A 103 -8.678 -14.999 -9.332 1.00 0.00 C ATOM 0 H ALA A 103 -9.756 -15.486 -7.075 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.524 -13.920 -9.424 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.518 -14.983 -10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.145 -14.166 -8.873 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.304 -15.938 -8.924 1.00 0.00 H new