USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 621 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 20 LYS NZ :NH3+ 179:sc= 2.51 (180deg=2.5) USER MOD Set 1.2: A 88 THR OG1 : rot -112:sc= 0.838 USER MOD Set 2.1: A 78 HIS : no HE2:sc= 0.0854 K(o=1.3,f=-5.7!) USER MOD Set 2.2: B 208 THR OG1 : rot 102:sc= 1.22 USER MOD Single : A 13 THR OG1 : rot -18:sc= 0.196 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0.813 K(o=0.81,f=-5.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 1.45 K(o=1.4,f=-5.9!) USER MOD Single : A 72 SER OG : rot 107:sc= 1.28 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.632 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 87 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.2) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc=-0.00419 X(o=-0.0042,f=-0.012) USER MOD Single : A 98 LYS NZ :NH3+ -158:sc= 2.05 (180deg=1.47) USER MOD Single : B 209 SER OG : rot 180:sc= 0.00621 USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 13 -6.622 -8.060 -5.959 1.00 0.00 N ATOM 74 CA THR A 13 -5.892 -6.833 -5.877 1.00 0.00 C ATOM 75 C THR A 13 -6.733 -5.633 -6.153 1.00 0.00 C ATOM 76 O THR A 13 -7.591 -5.624 -7.034 1.00 0.00 O ATOM 77 CB THR A 13 -4.697 -6.760 -6.780 1.00 0.00 C ATOM 78 OG1 THR A 13 -4.992 -7.274 -8.070 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.570 -7.621 -6.184 1.00 0.00 C ATOM 0 HA THR A 13 -5.552 -6.827 -4.842 1.00 0.00 H new ATOM 0 HB THR A 13 -4.404 -5.714 -6.867 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.800 -7.826 -8.025 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.695 -7.575 -6.833 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.308 -7.244 -5.195 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.907 -8.654 -6.101 1.00 0.00 H new ATOM 87 N PHE A 14 -6.490 -4.548 -5.397 1.00 0.00 N ATOM 88 CA PHE A 14 -7.117 -3.272 -5.542 1.00 0.00 C ATOM 89 C PHE A 14 -6.043 -2.250 -5.686 1.00 0.00 C ATOM 90 O PHE A 14 -5.022 -2.286 -5.001 1.00 0.00 O ATOM 91 CB PHE A 14 -8.127 -2.825 -4.470 1.00 0.00 C ATOM 92 CG PHE A 14 -7.886 -3.215 -3.053 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.713 -4.523 -2.666 1.00 0.00 C ATOM 94 CD2 PHE A 14 -7.967 -2.258 -2.069 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.515 -4.861 -1.347 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.775 -2.586 -0.748 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.536 -3.888 -0.376 1.00 0.00 C ATOM 0 H PHE A 14 -5.812 -4.564 -4.636 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.750 -3.377 -6.423 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.189 -1.737 -4.507 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.106 -3.210 -4.757 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.733 -5.302 -3.414 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.184 -1.235 -2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.343 -5.892 -1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.812 -1.813 0.005 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.368 -4.142 0.660 1.00 0.00 H new ATOM 107 N GLU A 15 -6.241 -1.296 -6.614 1.00 0.00 N ATOM 108 CA GLU A 15 -5.306 -0.251 -6.894 1.00 0.00 C ATOM 109 C GLU A 15 -5.916 1.054 -6.513 1.00 0.00 C ATOM 110 O GLU A 15 -6.491 1.789 -7.315 1.00 0.00 O ATOM 111 CB GLU A 15 -4.831 -0.272 -8.357 1.00 0.00 C ATOM 112 CG GLU A 15 -4.282 -1.632 -8.790 1.00 0.00 C ATOM 113 CD GLU A 15 -3.855 -1.615 -10.251 1.00 0.00 C ATOM 114 OE1 GLU A 15 -2.807 -0.999 -10.583 1.00 0.00 O ATOM 115 OE2 GLU A 15 -4.579 -2.227 -11.081 1.00 0.00 O ATOM 0 H GLU A 15 -7.082 -1.251 -7.190 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.407 -0.408 -6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.663 0.001 -9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.059 0.485 -8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.431 -1.900 -8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.042 -2.398 -8.640 1.00 0.00 H new ATOM 122 N VAL A 16 -5.817 1.371 -5.210 1.00 0.00 N ATOM 123 CA VAL A 16 -6.329 2.541 -4.568 1.00 0.00 C ATOM 124 C VAL A 16 -5.397 3.678 -4.812 1.00 0.00 C ATOM 125 O VAL A 16 -4.185 3.472 -4.792 1.00 0.00 O ATOM 126 CB VAL A 16 -6.374 2.280 -3.090 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.878 3.504 -2.307 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.257 1.055 -2.799 1.00 0.00 C ATOM 0 H VAL A 16 -5.338 0.756 -4.552 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.320 2.779 -4.954 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.356 2.078 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.895 3.273 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.212 4.349 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.884 3.759 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.284 0.873 -1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.268 1.241 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.846 0.182 -3.305 1.00 0.00 H new ATOM 138 N GLU A 17 -5.843 4.929 -5.022 1.00 0.00 N ATOM 139 CA GLU A 17 -4.943 6.039 -5.061 1.00 0.00 C ATOM 140 C GLU A 17 -5.302 6.999 -3.980 1.00 0.00 C ATOM 141 O GLU A 17 -6.432 7.469 -3.853 1.00 0.00 O ATOM 142 CB GLU A 17 -4.773 6.686 -6.446 1.00 0.00 C ATOM 143 CG GLU A 17 -5.479 8.027 -6.649 1.00 0.00 C ATOM 144 CD GLU A 17 -5.257 8.648 -8.022 1.00 0.00 C ATOM 145 OE1 GLU A 17 -5.484 7.951 -9.047 1.00 0.00 O ATOM 146 OE2 GLU A 17 -4.899 9.853 -8.089 1.00 0.00 O ATOM 0 H GLU A 17 -6.823 5.172 -5.164 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.940 5.658 -4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.708 6.827 -6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.138 5.988 -7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.549 7.889 -6.494 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.134 8.726 -5.887 1.00 0.00 H new ATOM 153 N LEU A 18 -4.320 7.294 -3.111 1.00 0.00 N ATOM 154 CA LEU A 18 -4.491 8.128 -1.962 1.00 0.00 C ATOM 155 C LEU A 18 -3.585 9.304 -2.084 1.00 0.00 C ATOM 156 O LEU A 18 -2.595 9.285 -2.813 1.00 0.00 O ATOM 157 CB LEU A 18 -4.076 7.373 -0.688 1.00 0.00 C ATOM 158 CG LEU A 18 -4.804 6.033 -0.483 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.178 5.296 0.713 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.325 6.220 -0.351 1.00 0.00 C ATOM 0 H LEU A 18 -3.370 6.938 -3.212 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.538 8.427 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.002 7.189 -0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.263 8.011 0.176 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.672 5.411 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.690 4.345 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.122 5.112 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.278 5.907 1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.800 5.249 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.540 6.859 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.714 6.684 -1.257 1.00 0.00 H new ATOM 172 N ALA A 19 -3.878 10.357 -1.301 1.00 0.00 N ATOM 173 CA ALA A 19 -2.912 11.346 -0.935 1.00 0.00 C ATOM 174 C ALA A 19 -2.707 11.237 0.536 1.00 0.00 C ATOM 175 O ALA A 19 -3.657 11.283 1.317 1.00 0.00 O ATOM 176 CB ALA A 19 -3.367 12.755 -1.354 1.00 0.00 C ATOM 0 H ALA A 19 -4.806 10.525 -0.913 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.969 11.175 -1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.611 13.484 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.503 12.787 -2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.310 12.994 -0.863 1.00 0.00 H new ATOM 182 N LYS A 20 -1.450 11.056 0.975 1.00 0.00 N ATOM 183 CA LYS A 20 -1.036 11.148 2.341 1.00 0.00 C ATOM 184 C LYS A 20 -1.272 12.506 2.906 1.00 0.00 C ATOM 185 O LYS A 20 -1.002 13.527 2.274 1.00 0.00 O ATOM 186 CB LYS A 20 0.458 10.817 2.498 1.00 0.00 C ATOM 187 CG LYS A 20 1.290 11.383 1.345 1.00 0.00 C ATOM 188 CD LYS A 20 2.696 11.906 1.647 1.00 0.00 C ATOM 189 CE LYS A 20 3.818 10.871 1.550 1.00 0.00 C ATOM 190 NZ LYS A 20 5.106 11.510 1.194 1.00 0.00 N ATOM 0 H LYS A 20 -0.681 10.833 0.343 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.638 10.421 2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.823 11.222 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.588 9.736 2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.382 10.604 0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.723 12.198 0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.917 12.722 0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.700 12.327 2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.919 10.349 2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.561 10.122 0.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.852 10.787 1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.019 11.973 0.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.352 12.220 1.913 1.00 0.00 H new ATOM 204 N THR A 21 -1.791 12.580 4.145 1.00 0.00 N ATOM 205 CA THR A 21 -2.078 13.814 4.807 1.00 0.00 C ATOM 206 C THR A 21 -0.877 14.228 5.587 1.00 0.00 C ATOM 207 O THR A 21 -0.573 13.736 6.672 1.00 0.00 O ATOM 208 CB THR A 21 -3.388 13.792 5.539 1.00 0.00 C ATOM 209 OG1 THR A 21 -3.760 15.072 6.027 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.447 12.793 6.707 1.00 0.00 C ATOM 0 H THR A 21 -2.018 11.756 4.702 1.00 0.00 H new ATOM 0 HA THR A 21 -2.255 14.608 4.082 1.00 0.00 H new ATOM 0 HB THR A 21 -4.096 13.462 4.778 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.619 15.007 6.494 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.428 12.843 7.179 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.276 11.784 6.332 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.679 13.043 7.439 1.00 0.00 H new ATOM 218 N ASP A 22 -0.053 15.093 4.969 1.00 0.00 N ATOM 219 CA ASP A 22 1.245 15.535 5.376 1.00 0.00 C ATOM 220 C ASP A 22 2.341 14.532 5.486 1.00 0.00 C ATOM 221 O ASP A 22 3.517 14.894 5.496 1.00 0.00 O ATOM 222 CB ASP A 22 1.190 16.392 6.652 1.00 0.00 C ATOM 223 CG ASP A 22 0.764 17.814 6.318 1.00 0.00 C ATOM 224 OD1 ASP A 22 1.562 18.516 5.641 1.00 0.00 O ATOM 225 OD2 ASP A 22 -0.334 18.252 6.755 1.00 0.00 O ATOM 0 H ASP A 22 -0.329 15.528 4.089 1.00 0.00 H new ATOM 0 HA ASP A 22 1.535 16.130 4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.490 15.953 7.363 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.168 16.402 7.133 1.00 0.00 H new ATOM 230 N GLY A 23 2.043 13.222 5.559 1.00 0.00 N ATOM 231 CA GLY A 23 3.037 12.204 5.703 1.00 0.00 C ATOM 232 C GLY A 23 2.478 11.053 6.467 1.00 0.00 C ATOM 233 O GLY A 23 2.950 10.726 7.555 1.00 0.00 O ATOM 0 H GLY A 23 1.089 12.862 5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.374 11.871 4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.909 12.605 6.220 1.00 0.00 H new ATOM 237 N SER A 24 1.442 10.411 5.900 1.00 0.00 N ATOM 238 CA SER A 24 0.547 9.530 6.586 1.00 0.00 C ATOM 239 C SER A 24 -0.607 9.281 5.677 1.00 0.00 C ATOM 240 O SER A 24 -1.487 10.115 5.470 1.00 0.00 O ATOM 241 CB SER A 24 0.017 10.067 7.926 1.00 0.00 C ATOM 242 OG SER A 24 -0.859 9.176 8.602 1.00 0.00 O ATOM 0 H SER A 24 1.216 10.511 4.910 1.00 0.00 H new ATOM 0 HA SER A 24 1.106 8.627 6.833 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.863 10.290 8.576 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.505 11.007 7.748 1.00 0.00 H new ATOM 0 HG SER A 24 -1.154 9.583 9.444 1.00 0.00 H new ATOM 248 N LEU A 25 -0.621 8.079 5.075 1.00 0.00 N ATOM 249 CA LEU A 25 -1.762 7.465 4.469 1.00 0.00 C ATOM 250 C LEU A 25 -2.613 6.978 5.591 1.00 0.00 C ATOM 251 O LEU A 25 -3.836 7.105 5.621 1.00 0.00 O ATOM 252 CB LEU A 25 -1.328 6.236 3.653 1.00 0.00 C ATOM 253 CG LEU A 25 -0.145 6.474 2.700 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.567 5.139 2.427 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.557 7.255 1.441 1.00 0.00 C ATOM 0 H LEU A 25 0.216 7.500 5.007 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.277 8.170 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.064 5.435 4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.180 5.886 3.070 1.00 0.00 H new ATOM 0 HG LEU A 25 0.584 7.128 3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.406 5.306 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.934 4.724 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.133 4.440 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.313 7.397 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.319 6.695 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.957 8.227 1.730 1.00 0.00 H new ATOM 267 N GLY A 26 -1.936 6.405 6.603 1.00 0.00 N ATOM 268 CA GLY A 26 -2.520 6.022 7.850 1.00 0.00 C ATOM 269 C GLY A 26 -2.538 4.538 7.989 1.00 0.00 C ATOM 270 O GLY A 26 -3.515 3.958 8.459 1.00 0.00 O ATOM 0 H GLY A 26 -0.938 6.200 6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.956 6.463 8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.536 6.411 7.916 1.00 0.00 H new ATOM 274 N ILE A 27 -1.429 3.899 7.574 1.00 0.00 N ATOM 275 CA ILE A 27 -1.205 2.506 7.802 1.00 0.00 C ATOM 276 C ILE A 27 0.027 2.307 8.618 1.00 0.00 C ATOM 277 O ILE A 27 1.095 2.836 8.314 1.00 0.00 O ATOM 278 CB ILE A 27 -1.133 1.740 6.515 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.316 2.499 5.455 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.584 1.482 6.078 1.00 0.00 C ATOM 281 CD1 ILE A 27 0.027 1.641 4.239 1.00 0.00 C ATOM 0 H ILE A 27 -0.672 4.361 7.069 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.056 2.114 8.360 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.611 0.792 6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.878 3.374 5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.606 2.864 5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.588 0.925 5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.098 0.904 6.846 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.096 2.434 5.936 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.603 2.232 3.527 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.615 0.780 4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.892 1.298 3.765 1.00 0.00 H new ATOM 293 N SER A 28 -0.096 1.522 9.703 1.00 0.00 N ATOM 294 CA SER A 28 1.006 1.005 10.452 1.00 0.00 C ATOM 295 C SER A 28 1.551 -0.220 9.800 1.00 0.00 C ATOM 296 O SER A 28 0.884 -1.253 9.749 1.00 0.00 O ATOM 297 CB SER A 28 0.679 0.518 11.874 1.00 0.00 C ATOM 298 OG SER A 28 0.317 1.597 12.723 1.00 0.00 O ATOM 0 H SER A 28 -1.002 1.236 10.074 1.00 0.00 H new ATOM 0 HA SER A 28 1.684 1.857 10.493 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.136 -0.204 11.834 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.543 0.000 12.290 1.00 0.00 H new ATOM 0 HG SER A 28 0.114 1.255 13.618 1.00 0.00 H new ATOM 304 N VAL A 29 2.794 -0.167 9.291 1.00 0.00 N ATOM 305 CA VAL A 29 3.350 -1.250 8.542 1.00 0.00 C ATOM 306 C VAL A 29 3.994 -2.326 9.346 1.00 0.00 C ATOM 307 O VAL A 29 4.809 -2.080 10.234 1.00 0.00 O ATOM 308 CB VAL A 29 4.231 -0.734 7.442 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.352 0.146 6.538 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.432 0.055 7.990 1.00 0.00 C ATOM 0 H VAL A 29 3.418 0.632 9.399 1.00 0.00 H new ATOM 0 HA VAL A 29 2.498 -1.762 8.095 1.00 0.00 H new ATOM 0 HB VAL A 29 4.655 -1.566 6.880 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.954 0.544 5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.537 -0.452 6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.941 0.970 7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.043 0.410 7.160 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.074 0.907 8.568 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.031 -0.592 8.631 1.00 0.00 H new ATOM 320 N THR A 30 3.622 -3.589 9.075 1.00 0.00 N ATOM 321 CA THR A 30 4.155 -4.771 9.680 1.00 0.00 C ATOM 322 C THR A 30 4.570 -5.747 8.634 1.00 0.00 C ATOM 323 O THR A 30 4.253 -5.620 7.452 1.00 0.00 O ATOM 324 CB THR A 30 3.238 -5.412 10.680 1.00 0.00 C ATOM 325 OG1 THR A 30 3.836 -6.450 11.443 1.00 0.00 O ATOM 326 CG2 THR A 30 1.987 -6.006 10.010 1.00 0.00 C ATOM 0 H THR A 30 2.900 -3.799 8.386 1.00 0.00 H new ATOM 0 HA THR A 30 5.029 -4.453 10.249 1.00 0.00 H new ATOM 0 HB THR A 30 2.978 -4.593 11.351 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.178 -6.815 12.071 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.349 -6.460 10.768 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.437 -5.215 9.500 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.287 -6.764 9.286 1.00 0.00 H new ATOM 334 N GLY A 31 5.340 -6.767 9.053 1.00 0.00 N ATOM 335 CA GLY A 31 5.999 -7.706 8.198 1.00 0.00 C ATOM 336 C GLY A 31 7.224 -7.119 7.585 1.00 0.00 C ATOM 337 O GLY A 31 7.798 -6.161 8.100 1.00 0.00 O ATOM 0 H GLY A 31 5.512 -6.946 10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.267 -8.595 8.770 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.315 -8.027 7.412 1.00 0.00 H new ATOM 341 N GLY A 32 7.669 -7.676 6.446 1.00 0.00 N ATOM 342 CA GLY A 32 8.806 -7.202 5.719 1.00 0.00 C ATOM 343 C GLY A 32 9.855 -8.257 5.627 1.00 0.00 C ATOM 344 O GLY A 32 9.979 -9.113 6.501 1.00 0.00 O ATOM 0 H GLY A 32 7.222 -8.485 6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.502 -6.898 4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.215 -6.319 6.210 1.00 0.00 H new ATOM 348 N VAL A 33 10.673 -8.227 4.560 1.00 0.00 N ATOM 349 CA VAL A 33 11.589 -9.269 4.215 1.00 0.00 C ATOM 350 C VAL A 33 12.746 -9.439 5.140 1.00 0.00 C ATOM 351 O VAL A 33 13.546 -10.363 5.000 1.00 0.00 O ATOM 352 CB VAL A 33 12.033 -9.128 2.790 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.191 -8.131 2.620 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.375 -10.490 2.162 1.00 0.00 C ATOM 0 H VAL A 33 10.697 -7.442 3.909 1.00 0.00 H new ATOM 0 HA VAL A 33 11.026 -10.195 4.331 1.00 0.00 H new ATOM 0 HB VAL A 33 11.182 -8.713 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.468 -8.072 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.878 -7.147 2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.049 -8.467 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.692 -10.345 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.181 -10.959 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.495 -11.132 2.184 1.00 0.00 H new ATOM 467 N GLY A 41 6.608 -8.607 0.946 1.00 0.00 N ATOM 468 CA GLY A 41 5.813 -7.427 0.800 1.00 0.00 C ATOM 469 C GLY A 41 5.698 -6.770 2.132 1.00 0.00 C ATOM 470 O GLY A 41 6.386 -7.156 3.077 1.00 0.00 O ATOM 0 HA2 GLY A 41 6.271 -6.748 0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.825 -7.680 0.416 1.00 0.00 H new ATOM 474 N ILE A 42 4.809 -5.770 2.271 1.00 0.00 N ATOM 475 CA ILE A 42 4.542 -5.179 3.546 1.00 0.00 C ATOM 476 C ILE A 42 3.070 -5.277 3.749 1.00 0.00 C ATOM 477 O ILE A 42 2.299 -5.460 2.808 1.00 0.00 O ATOM 478 CB ILE A 42 5.142 -3.818 3.747 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.506 -3.544 5.217 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.276 -2.644 3.261 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.777 -4.257 5.678 1.00 0.00 C ATOM 0 H ILE A 42 4.275 -5.370 1.500 1.00 0.00 H new ATOM 0 HA ILE A 42 5.055 -5.725 4.338 1.00 0.00 H new ATOM 0 HB ILE A 42 6.036 -3.861 3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.631 -2.470 5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.676 -3.854 5.852 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.796 -1.705 3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.091 -2.747 2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.326 -2.647 3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.970 -4.017 6.723 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.649 -5.334 5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.619 -3.929 5.069 1.00 0.00 H new ATOM 493 N TYR A 43 2.603 -5.265 5.009 1.00 0.00 N ATOM 494 CA TYR A 43 1.257 -5.645 5.311 1.00 0.00 C ATOM 495 C TYR A 43 0.800 -4.667 6.337 1.00 0.00 C ATOM 496 O TYR A 43 1.613 -4.050 7.024 1.00 0.00 O ATOM 497 CB TYR A 43 1.241 -7.061 5.912 1.00 0.00 C ATOM 498 CG TYR A 43 1.906 -8.086 5.059 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.266 -8.276 5.112 1.00 0.00 C ATOM 500 CD2 TYR A 43 1.163 -8.871 4.210 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.891 -9.171 4.275 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.773 -9.788 3.387 1.00 0.00 C ATOM 503 CZ TYR A 43 3.140 -9.930 3.408 1.00 0.00 C ATOM 504 OH TYR A 43 3.769 -10.850 2.543 1.00 0.00 O ATOM 0 H TYR A 43 3.157 -4.992 5.821 1.00 0.00 H new ATOM 0 HA TYR A 43 0.621 -5.647 4.426 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.732 -7.038 6.885 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.207 -7.361 6.084 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.854 -7.713 5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.088 -8.766 4.189 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.966 -9.277 4.299 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.177 -10.397 2.723 1.00 0.00 H new ATOM 0 HH TYR A 43 3.092 -11.303 1.999 1.00 0.00 H new ATOM 514 N VAL A 44 -0.513 -4.424 6.501 1.00 0.00 N ATOM 515 CA VAL A 44 -0.983 -3.570 7.546 1.00 0.00 C ATOM 516 C VAL A 44 -0.996 -4.279 8.857 1.00 0.00 C ATOM 517 O VAL A 44 -1.425 -5.428 8.953 1.00 0.00 O ATOM 518 CB VAL A 44 -2.385 -3.079 7.335 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.563 -1.761 8.108 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.709 -2.837 5.850 1.00 0.00 C ATOM 0 H VAL A 44 -1.247 -4.818 5.912 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.290 -2.729 7.537 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.067 -3.849 7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.578 -1.390 7.965 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.386 -1.935 9.169 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.851 -1.023 7.738 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.735 -2.483 5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.028 -2.088 5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.594 -3.769 5.296 1.00 0.00 H new ATOM 530 N LYS A 45 -0.565 -3.620 9.947 1.00 0.00 N ATOM 531 CA LYS A 45 -0.898 -4.037 11.274 1.00 0.00 C ATOM 532 C LYS A 45 -2.212 -3.438 11.643 1.00 0.00 C ATOM 533 O LYS A 45 -3.201 -4.138 11.857 1.00 0.00 O ATOM 534 CB LYS A 45 0.178 -3.637 12.297 1.00 0.00 C ATOM 535 CG LYS A 45 0.183 -4.457 13.589 1.00 0.00 C ATOM 536 CD LYS A 45 -1.019 -4.235 14.509 1.00 0.00 C ATOM 537 CE LYS A 45 -0.911 -4.968 15.847 1.00 0.00 C ATOM 538 NZ LYS A 45 -2.174 -4.824 16.606 1.00 0.00 N ATOM 0 H LYS A 45 0.022 -2.787 9.907 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.956 -5.125 11.291 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.157 -3.726 11.825 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.041 -2.586 12.553 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.230 -5.514 13.329 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.092 -4.225 14.144 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.129 -3.167 14.697 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.923 -4.563 13.997 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.698 -6.023 15.677 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.081 -4.564 16.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.092 -5.325 17.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.360 -3.816 16.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.958 -5.230 16.056 1.00 0.00 H new ATOM 552 N ALA A 46 -2.263 -2.098 11.734 1.00 0.00 N ATOM 553 CA ALA A 46 -3.411 -1.364 12.168 1.00 0.00 C ATOM 554 C ALA A 46 -3.741 -0.279 11.202 1.00 0.00 C ATOM 555 O ALA A 46 -2.875 0.437 10.702 1.00 0.00 O ATOM 556 CB ALA A 46 -3.138 -0.783 13.566 1.00 0.00 C ATOM 0 H ALA A 46 -1.472 -1.501 11.495 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.269 -2.034 12.217 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.009 -0.222 13.903 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.937 -1.595 14.265 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.274 -0.120 13.522 1.00 0.00 H new ATOM 562 N ILE A 47 -5.046 -0.136 10.906 1.00 0.00 N ATOM 563 CA ILE A 47 -5.622 0.954 10.182 1.00 0.00 C ATOM 564 C ILE A 47 -5.997 2.001 11.175 1.00 0.00 C ATOM 565 O ILE A 47 -6.804 1.756 12.070 1.00 0.00 O ATOM 566 CB ILE A 47 -6.853 0.527 9.438 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.549 -0.568 8.403 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.565 1.717 8.773 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.661 -0.070 7.262 1.00 0.00 C ATOM 0 H ILE A 47 -5.741 -0.826 11.191 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.901 1.325 9.453 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.530 0.105 10.181 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.060 -1.406 8.900 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.486 -0.944 7.992 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.451 1.363 8.245 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.861 2.437 9.536 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.889 2.196 8.065 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.479 -0.884 6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.159 0.750 6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.711 0.280 7.666 1.00 0.00 H new ATOM 581 N ILE A 48 -5.416 3.209 11.074 1.00 0.00 N ATOM 582 CA ILE A 48 -5.698 4.237 12.026 1.00 0.00 C ATOM 583 C ILE A 48 -7.000 4.907 11.747 1.00 0.00 C ATOM 584 O ILE A 48 -7.447 4.835 10.604 1.00 0.00 O ATOM 585 CB ILE A 48 -4.606 5.259 12.141 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.478 6.154 10.896 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.330 4.506 12.552 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.251 7.065 10.921 1.00 0.00 C ATOM 0 H ILE A 48 -4.757 3.473 10.341 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.762 3.728 12.987 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.837 5.994 12.912 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.434 5.523 10.008 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.374 6.768 10.806 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.506 5.213 12.648 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.494 4.007 13.507 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.085 3.764 11.792 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.226 7.667 10.012 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.303 7.722 11.790 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.348 6.457 10.979 1.00 0.00 H new ATOM 643 N ALA A 52 -6.117 8.640 5.407 1.00 0.00 N ATOM 644 CA ALA A 52 -6.360 8.548 4.001 1.00 0.00 C ATOM 645 C ALA A 52 -6.672 7.151 3.586 1.00 0.00 C ATOM 646 O ALA A 52 -7.528 6.922 2.734 1.00 0.00 O ATOM 647 CB ALA A 52 -5.141 9.074 3.224 1.00 0.00 C ATOM 0 HA ALA A 52 -7.231 9.162 3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.333 9.001 2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.962 10.116 3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.264 8.479 3.477 1.00 0.00 H new ATOM 653 N ALA A 53 -5.981 6.154 4.167 1.00 0.00 N ATOM 654 CA ALA A 53 -6.055 4.765 3.838 1.00 0.00 C ATOM 655 C ALA A 53 -7.310 4.090 4.272 1.00 0.00 C ATOM 656 O ALA A 53 -7.974 3.444 3.462 1.00 0.00 O ATOM 657 CB ALA A 53 -4.827 4.051 4.429 1.00 0.00 C ATOM 0 H ALA A 53 -5.321 6.334 4.924 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.064 4.699 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.871 2.990 4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.918 4.482 4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.821 4.175 5.512 1.00 0.00 H new ATOM 663 N GLU A 54 -7.733 4.260 5.537 1.00 0.00 N ATOM 664 CA GLU A 54 -9.014 3.868 6.036 1.00 0.00 C ATOM 665 C GLU A 54 -10.121 4.382 5.182 1.00 0.00 C ATOM 666 O GLU A 54 -11.097 3.703 4.868 1.00 0.00 O ATOM 667 CB GLU A 54 -9.194 4.445 7.449 1.00 0.00 C ATOM 668 CG GLU A 54 -10.522 4.215 8.175 1.00 0.00 C ATOM 669 CD GLU A 54 -10.836 2.793 8.617 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.159 1.920 7.767 1.00 0.00 O ATOM 671 OE2 GLU A 54 -10.818 2.546 9.853 1.00 0.00 O ATOM 0 H GLU A 54 -7.148 4.695 6.251 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.053 2.779 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.400 4.038 8.075 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.032 5.521 7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.540 4.855 9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.327 4.551 7.521 1.00 0.00 H new ATOM 678 N SER A 55 -9.956 5.631 4.710 1.00 0.00 N ATOM 679 CA SER A 55 -10.886 6.306 3.860 1.00 0.00 C ATOM 680 C SER A 55 -11.050 5.776 2.478 1.00 0.00 C ATOM 681 O SER A 55 -11.906 6.293 1.761 1.00 0.00 O ATOM 682 CB SER A 55 -10.573 7.808 3.745 1.00 0.00 C ATOM 683 OG SER A 55 -10.277 8.364 5.018 1.00 0.00 O ATOM 0 H SER A 55 -9.136 6.196 4.932 1.00 0.00 H new ATOM 0 HA SER A 55 -11.827 6.119 4.376 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.727 7.957 3.073 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.424 8.328 3.306 1.00 0.00 H new ATOM 0 HG SER A 55 -10.080 9.319 4.920 1.00 0.00 H new ATOM 689 N ASP A 56 -10.322 4.744 2.015 1.00 0.00 N ATOM 690 CA ASP A 56 -10.673 4.008 0.840 1.00 0.00 C ATOM 691 C ASP A 56 -11.927 3.244 1.098 1.00 0.00 C ATOM 692 O ASP A 56 -13.034 3.742 0.901 1.00 0.00 O ATOM 693 CB ASP A 56 -9.504 3.104 0.413 1.00 0.00 C ATOM 694 CG ASP A 56 -9.863 2.195 -0.754 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.136 2.709 -1.872 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.981 0.967 -0.503 1.00 0.00 O ATOM 0 H ASP A 56 -9.470 4.413 2.468 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.863 4.687 0.009 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.652 3.725 0.136 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.192 2.494 1.261 1.00 0.00 H new ATOM 701 N GLY A 57 -11.806 1.992 1.574 1.00 0.00 N ATOM 702 CA GLY A 57 -12.945 1.225 1.973 1.00 0.00 C ATOM 703 C GLY A 57 -12.650 -0.235 1.975 1.00 0.00 C ATOM 704 O GLY A 57 -13.153 -0.987 2.809 1.00 0.00 O ATOM 0 H GLY A 57 -10.914 1.509 1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.262 1.534 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.776 1.428 1.297 1.00 0.00 H new ATOM 708 N ARG A 58 -11.818 -0.690 1.021 1.00 0.00 N ATOM 709 CA ARG A 58 -11.452 -2.066 0.880 1.00 0.00 C ATOM 710 C ARG A 58 -10.361 -2.479 1.807 1.00 0.00 C ATOM 711 O ARG A 58 -10.258 -3.652 2.162 1.00 0.00 O ATOM 712 CB ARG A 58 -11.029 -2.339 -0.573 1.00 0.00 C ATOM 713 CG ARG A 58 -12.110 -2.102 -1.630 1.00 0.00 C ATOM 714 CD ARG A 58 -11.959 -0.800 -2.417 1.00 0.00 C ATOM 715 NE ARG A 58 -12.186 -1.064 -3.866 1.00 0.00 N ATOM 716 CZ ARG A 58 -13.390 -1.337 -4.449 1.00 0.00 C ATOM 717 NH1 ARG A 58 -14.563 -1.320 -3.750 1.00 0.00 N ATOM 718 NH2 ARG A 58 -13.425 -1.668 -5.773 1.00 0.00 N ATOM 0 H ARG A 58 -11.386 -0.081 0.326 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.329 -2.658 1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.171 -1.708 -0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.694 -3.374 -0.647 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.103 -2.937 -2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.084 -2.104 -1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.673 -0.060 -2.056 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.963 -0.384 -2.264 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.369 -1.038 -4.476 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.560 -1.097 -2.755 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.442 -1.530 -4.223 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.560 -1.709 -6.312 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.316 -1.875 -6.224 1.00 0.00 H new ATOM 732 N ILE A 59 -9.492 -1.559 2.261 1.00 0.00 N ATOM 733 CA ILE A 59 -8.441 -1.841 3.190 1.00 0.00 C ATOM 734 C ILE A 59 -8.957 -2.135 4.557 1.00 0.00 C ATOM 735 O ILE A 59 -9.764 -1.392 5.112 1.00 0.00 O ATOM 736 CB ILE A 59 -7.452 -0.719 3.304 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.078 -0.118 1.938 1.00 0.00 C ATOM 738 CG2 ILE A 59 -6.184 -1.261 3.986 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.060 1.018 2.024 1.00 0.00 C ATOM 0 H ILE A 59 -9.522 -0.582 1.971 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.944 -2.722 2.785 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.910 0.078 3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.676 -0.907 1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.982 0.252 1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.450 -0.460 4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.437 -1.638 4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.765 -2.069 3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.846 1.391 1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.467 1.826 2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.140 0.649 2.478 1.00 0.00 H new ATOM 751 N HIS A 60 -8.487 -3.232 5.176 1.00 0.00 N ATOM 752 CA HIS A 60 -8.707 -3.473 6.568 1.00 0.00 C ATOM 753 C HIS A 60 -7.438 -3.962 7.177 1.00 0.00 C ATOM 754 O HIS A 60 -6.410 -4.088 6.513 1.00 0.00 O ATOM 755 CB HIS A 60 -9.883 -4.433 6.819 1.00 0.00 C ATOM 756 CG HIS A 60 -10.767 -4.039 7.966 1.00 0.00 C ATOM 757 ND1 HIS A 60 -10.262 -3.958 9.247 1.00 0.00 N ATOM 758 CD2 HIS A 60 -12.091 -3.727 7.953 1.00 0.00 C ATOM 759 CE1 HIS A 60 -11.286 -3.594 9.995 1.00 0.00 C ATOM 760 NE2 HIS A 60 -12.422 -3.446 9.262 1.00 0.00 N ATOM 0 H HIS A 60 -7.949 -3.960 4.706 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.995 -2.538 7.048 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.487 -4.493 5.914 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.488 -5.432 7.006 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -12.747 -3.704 7.095 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.229 -3.433 11.061 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -13.342 -3.179 9.613 1.00 0.00 H new ATOM 768 N LYS A 61 -7.431 -4.234 8.494 1.00 0.00 N ATOM 769 CA LYS A 61 -6.240 -4.468 9.251 1.00 0.00 C ATOM 770 C LYS A 61 -5.733 -5.868 9.206 1.00 0.00 C ATOM 771 O LYS A 61 -5.403 -6.491 10.214 1.00 0.00 O ATOM 772 CB LYS A 61 -6.409 -3.920 10.679 1.00 0.00 C ATOM 773 CG LYS A 61 -7.403 -4.618 11.608 1.00 0.00 C ATOM 774 CD LYS A 61 -7.465 -3.953 12.984 1.00 0.00 C ATOM 775 CE LYS A 61 -8.505 -2.834 13.073 1.00 0.00 C ATOM 776 NZ LYS A 61 -8.424 -2.144 14.380 1.00 0.00 N ATOM 0 H LYS A 61 -8.283 -4.293 9.051 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.441 -3.911 8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.432 -3.941 11.161 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.704 -2.874 10.601 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.394 -4.605 11.154 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.119 -5.664 11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.692 -4.710 13.735 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.483 -3.546 13.227 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.344 -2.117 12.268 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.504 -3.248 12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.138 -1.389 14.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.600 -2.827 15.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.477 -1.731 14.496 1.00 0.00 H new ATOM 790 N GLY A 62 -5.617 -6.442 7.995 1.00 0.00 N ATOM 791 CA GLY A 62 -5.067 -7.749 7.809 1.00 0.00 C ATOM 792 C GLY A 62 -4.711 -8.063 6.396 1.00 0.00 C ATOM 793 O GLY A 62 -4.582 -9.230 6.030 1.00 0.00 O ATOM 0 H GLY A 62 -5.911 -5.990 7.129 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.175 -7.848 8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.785 -8.488 8.164 1.00 0.00 H new ATOM 797 N ASP A 63 -4.543 -7.044 5.535 1.00 0.00 N ATOM 798 CA ASP A 63 -4.254 -7.214 4.144 1.00 0.00 C ATOM 799 C ASP A 63 -2.805 -7.047 3.840 1.00 0.00 C ATOM 800 O ASP A 63 -1.979 -6.815 4.721 1.00 0.00 O ATOM 801 CB ASP A 63 -5.083 -6.215 3.320 1.00 0.00 C ATOM 802 CG ASP A 63 -6.543 -6.633 3.430 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.843 -7.825 3.154 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.412 -5.815 3.835 1.00 0.00 O ATOM 0 H ASP A 63 -4.611 -6.066 5.817 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.522 -8.236 3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.945 -5.201 3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.761 -6.216 2.279 1.00 0.00 H new ATOM 809 N ARG A 64 -2.456 -7.193 2.549 1.00 0.00 N ATOM 810 CA ARG A 64 -1.139 -7.088 2.001 1.00 0.00 C ATOM 811 C ARG A 64 -1.072 -5.888 1.120 1.00 0.00 C ATOM 812 O ARG A 64 -2.021 -5.565 0.409 1.00 0.00 O ATOM 813 CB ARG A 64 -0.895 -8.367 1.182 1.00 0.00 C ATOM 814 CG ARG A 64 0.359 -8.438 0.309 1.00 0.00 C ATOM 815 CD ARG A 64 0.401 -9.769 -0.446 1.00 0.00 C ATOM 816 NE ARG A 64 1.605 -9.795 -1.324 1.00 0.00 N ATOM 817 CZ ARG A 64 1.868 -10.874 -2.118 1.00 0.00 C ATOM 818 NH1 ARG A 64 0.919 -11.818 -2.389 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.124 -11.031 -2.627 1.00 0.00 N ATOM 0 H ARG A 64 -3.152 -7.401 1.833 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.384 -6.983 2.780 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.865 -9.206 1.877 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.760 -8.519 0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.366 -7.609 -0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.249 -8.335 0.929 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.432 -10.600 0.259 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.503 -9.891 -1.043 1.00 0.00 H new ATOM 0 HE ARG A 64 2.240 -8.997 -1.332 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.017 -11.728 -1.994 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.146 -12.613 -2.986 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.850 -10.348 -2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.337 -11.832 -3.222 1.00 0.00 H new ATOM 833 N VAL A 65 0.059 -5.160 1.115 1.00 0.00 N ATOM 834 CA VAL A 65 0.373 -4.178 0.124 1.00 0.00 C ATOM 835 C VAL A 65 1.608 -4.613 -0.584 1.00 0.00 C ATOM 836 O VAL A 65 2.565 -5.102 0.017 1.00 0.00 O ATOM 837 CB VAL A 65 0.389 -2.762 0.617 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.565 -2.472 1.565 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.400 -1.753 -0.544 1.00 0.00 C ATOM 0 H VAL A 65 0.782 -5.259 1.828 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.445 -4.132 -0.595 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.534 -2.641 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.524 -1.432 1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.501 -3.126 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.505 -2.653 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.411 -0.739 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.288 -1.912 -1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.492 -1.892 -1.155 1.00 0.00 H new ATOM 849 N LEU A 66 1.608 -4.542 -1.927 1.00 0.00 N ATOM 850 CA LEU A 66 2.661 -5.038 -2.757 1.00 0.00 C ATOM 851 C LEU A 66 3.341 -3.986 -3.564 1.00 0.00 C ATOM 852 O LEU A 66 4.528 -4.130 -3.854 1.00 0.00 O ATOM 853 CB LEU A 66 2.188 -6.188 -3.661 1.00 0.00 C ATOM 854 CG LEU A 66 0.928 -5.965 -4.514 1.00 0.00 C ATOM 855 CD1 LEU A 66 1.020 -6.785 -5.811 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.336 -6.393 -3.750 1.00 0.00 C ATOM 0 H LEU A 66 0.843 -4.122 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 66 3.406 -5.424 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.007 -6.441 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.014 -7.059 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 66 0.864 -4.902 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.124 -6.621 -6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.897 -6.472 -6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.105 -7.844 -5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.213 -6.225 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.268 -7.451 -3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.424 -5.806 -2.836 1.00 0.00 H new ATOM 868 N ALA A 67 2.659 -2.901 -3.972 1.00 0.00 N ATOM 869 CA ALA A 67 3.337 -1.905 -4.743 1.00 0.00 C ATOM 870 C ALA A 67 2.795 -0.531 -4.545 1.00 0.00 C ATOM 871 O ALA A 67 1.655 -0.352 -4.120 1.00 0.00 O ATOM 872 CB ALA A 67 3.326 -2.264 -6.238 1.00 0.00 C ATOM 0 H ALA A 67 1.675 -2.716 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 67 4.364 -1.896 -4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.848 -1.491 -6.802 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.826 -3.221 -6.386 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.296 -2.335 -6.588 1.00 0.00 H new ATOM 878 N VAL A 68 3.610 0.502 -4.826 1.00 0.00 N ATOM 879 CA VAL A 68 3.252 1.874 -4.634 1.00 0.00 C ATOM 880 C VAL A 68 3.706 2.709 -5.782 1.00 0.00 C ATOM 881 O VAL A 68 4.898 2.719 -6.084 1.00 0.00 O ATOM 882 CB VAL A 68 3.860 2.453 -3.391 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.554 3.954 -3.260 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.343 1.707 -2.150 1.00 0.00 C ATOM 0 H VAL A 68 4.551 0.378 -5.200 1.00 0.00 H new ATOM 0 HA VAL A 68 2.165 1.888 -4.548 1.00 0.00 H new ATOM 0 HB VAL A 68 4.941 2.332 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.010 4.340 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.960 4.485 -4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.475 4.103 -3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.792 2.136 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.259 1.802 -2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.612 0.653 -2.221 1.00 0.00 H new ATOM 894 N ASN A 69 2.803 3.440 -6.459 1.00 0.00 N ATOM 895 CA ASN A 69 3.058 4.176 -7.657 1.00 0.00 C ATOM 896 C ASN A 69 3.692 3.385 -8.749 1.00 0.00 C ATOM 897 O ASN A 69 4.504 3.878 -9.531 1.00 0.00 O ATOM 898 CB ASN A 69 3.818 5.485 -7.385 1.00 0.00 C ATOM 899 CG ASN A 69 2.989 6.332 -6.429 1.00 0.00 C ATOM 900 OD1 ASN A 69 1.760 6.322 -6.466 1.00 0.00 O ATOM 901 ND2 ASN A 69 3.663 7.086 -5.520 1.00 0.00 N ATOM 0 H ASN A 69 1.835 3.521 -6.149 1.00 0.00 H new ATOM 0 HA ASN A 69 2.069 4.436 -8.034 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.796 5.273 -6.953 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.991 6.024 -8.317 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.149 7.659 -4.851 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.683 7.079 -5.507 1.00 0.00 H new ATOM 908 N GLY A 70 3.341 2.089 -8.838 1.00 0.00 N ATOM 909 CA GLY A 70 3.910 1.177 -9.781 1.00 0.00 C ATOM 910 C GLY A 70 5.273 0.708 -9.406 1.00 0.00 C ATOM 911 O GLY A 70 6.051 0.287 -10.260 1.00 0.00 O ATOM 0 H GLY A 70 2.638 1.662 -8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.252 0.314 -9.882 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.956 1.658 -10.758 1.00 0.00 H new ATOM 915 N VAL A 71 5.612 0.759 -8.105 1.00 0.00 N ATOM 916 CA VAL A 71 6.884 0.358 -7.586 1.00 0.00 C ATOM 917 C VAL A 71 6.666 -0.743 -6.606 1.00 0.00 C ATOM 918 O VAL A 71 6.285 -0.529 -5.456 1.00 0.00 O ATOM 919 CB VAL A 71 7.678 1.446 -6.926 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.093 0.938 -6.602 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.773 2.658 -7.869 1.00 0.00 C ATOM 0 H VAL A 71 4.973 1.094 -7.384 1.00 0.00 H new ATOM 0 HA VAL A 71 7.476 0.046 -8.446 1.00 0.00 H new ATOM 0 HB VAL A 71 7.181 1.740 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.664 1.733 -6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.027 0.083 -5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.592 0.638 -7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.350 3.448 -7.389 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.265 2.361 -8.795 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.771 3.025 -8.092 1.00 0.00 H new ATOM 931 N SER A 72 6.890 -1.994 -7.048 1.00 0.00 N ATOM 932 CA SER A 72 6.881 -3.194 -6.271 1.00 0.00 C ATOM 933 C SER A 72 7.825 -3.218 -5.118 1.00 0.00 C ATOM 934 O SER A 72 8.940 -2.701 -5.166 1.00 0.00 O ATOM 935 CB SER A 72 7.116 -4.430 -7.157 1.00 0.00 C ATOM 936 OG SER A 72 8.114 -4.209 -8.142 1.00 0.00 O ATOM 0 H SER A 72 7.094 -2.179 -8.030 1.00 0.00 H new ATOM 0 HA SER A 72 5.882 -3.219 -5.835 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.409 -5.272 -6.530 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.182 -4.706 -7.646 1.00 0.00 H new ATOM 0 HG SER A 72 8.931 -4.689 -7.893 1.00 0.00 H new ATOM 942 N LEU A 73 7.399 -3.825 -3.996 1.00 0.00 N ATOM 943 CA LEU A 73 8.193 -3.995 -2.819 1.00 0.00 C ATOM 944 C LEU A 73 9.221 -5.058 -3.001 1.00 0.00 C ATOM 945 O LEU A 73 10.413 -4.798 -2.844 1.00 0.00 O ATOM 946 CB LEU A 73 7.315 -4.334 -1.602 1.00 0.00 C ATOM 947 CG LEU A 73 6.414 -3.176 -1.141 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.371 -3.633 -0.107 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.175 -1.990 -0.524 1.00 0.00 C ATOM 0 H LEU A 73 6.461 -4.214 -3.905 1.00 0.00 H new ATOM 0 HA LEU A 73 8.700 -3.047 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.690 -5.193 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.958 -4.632 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 73 5.935 -2.844 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.757 -2.783 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.737 -4.403 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.879 -4.037 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.466 -1.218 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.731 -2.329 0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.869 -1.581 -1.259 1.00 0.00 H new ATOM 961 N GLU A 74 8.781 -6.277 -3.363 1.00 0.00 N ATOM 962 CA GLU A 74 9.542 -7.402 -3.808 1.00 0.00 C ATOM 963 C GLU A 74 10.803 -7.733 -3.088 1.00 0.00 C ATOM 964 O GLU A 74 11.839 -8.062 -3.662 1.00 0.00 O ATOM 965 CB GLU A 74 9.720 -7.360 -5.335 1.00 0.00 C ATOM 966 CG GLU A 74 10.665 -6.277 -5.861 1.00 0.00 C ATOM 967 CD GLU A 74 10.752 -6.289 -7.380 1.00 0.00 C ATOM 968 OE1 GLU A 74 11.006 -7.364 -7.986 1.00 0.00 O ATOM 969 OE2 GLU A 74 10.562 -5.194 -7.974 1.00 0.00 O ATOM 0 H GLU A 74 7.784 -6.493 -3.340 1.00 0.00 H new ATOM 0 HA GLU A 74 8.924 -8.253 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.088 -8.331 -5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.741 -7.217 -5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.320 -5.299 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.659 -6.426 -5.439 1.00 0.00 H new ATOM 976 N GLY A 75 10.744 -7.687 -1.744 1.00 0.00 N ATOM 977 CA GLY A 75 11.892 -7.737 -0.892 1.00 0.00 C ATOM 978 C GLY A 75 12.119 -6.418 -0.237 1.00 0.00 C ATOM 979 O GLY A 75 13.251 -5.944 -0.153 1.00 0.00 O ATOM 0 H GLY A 75 9.865 -7.612 -1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.754 -8.507 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.771 -8.016 -1.473 1.00 0.00 H new ATOM 983 N ALA A 76 11.054 -5.788 0.289 1.00 0.00 N ATOM 984 CA ALA A 76 11.167 -4.614 1.098 1.00 0.00 C ATOM 985 C ALA A 76 11.065 -5.004 2.532 1.00 0.00 C ATOM 986 O ALA A 76 10.372 -5.951 2.900 1.00 0.00 O ATOM 987 CB ALA A 76 10.118 -3.553 0.722 1.00 0.00 C ATOM 0 H ALA A 76 10.093 -6.101 0.149 1.00 0.00 H new ATOM 0 HA ALA A 76 12.139 -4.153 0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.240 -2.678 1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.252 -3.263 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.118 -3.965 0.858 1.00 0.00 H new ATOM 993 N THR A 77 11.812 -4.316 3.414 1.00 0.00 N ATOM 994 CA THR A 77 11.918 -4.600 4.812 1.00 0.00 C ATOM 995 C THR A 77 10.988 -3.726 5.580 1.00 0.00 C ATOM 996 O THR A 77 10.084 -3.119 5.009 1.00 0.00 O ATOM 997 CB THR A 77 13.312 -4.358 5.310 1.00 0.00 C ATOM 998 OG1 THR A 77 13.742 -3.014 5.157 1.00 0.00 O ATOM 999 CG2 THR A 77 14.317 -5.193 4.499 1.00 0.00 C ATOM 0 H THR A 77 12.376 -3.513 3.134 1.00 0.00 H new ATOM 0 HA THR A 77 11.662 -5.650 4.956 1.00 0.00 H new ATOM 0 HB THR A 77 13.282 -4.623 6.367 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.655 -2.921 5.501 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.325 -5.009 4.869 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.079 -6.252 4.604 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.260 -4.911 3.448 1.00 0.00 H new ATOM 1007 N HIS A 78 11.190 -3.546 6.898 1.00 0.00 N ATOM 1008 CA HIS A 78 10.508 -2.535 7.645 1.00 0.00 C ATOM 1009 C HIS A 78 10.929 -1.176 7.203 1.00 0.00 C ATOM 1010 O HIS A 78 10.090 -0.329 6.902 1.00 0.00 O ATOM 1011 CB HIS A 78 10.730 -2.640 9.163 1.00 0.00 C ATOM 1012 CG HIS A 78 10.116 -1.537 9.974 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.676 -1.073 11.134 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.020 -0.768 9.738 1.00 0.00 C ATOM 1015 CE1 HIS A 78 9.957 -0.064 11.591 1.00 0.00 C ATOM 1016 NE2 HIS A 78 8.946 0.134 10.766 1.00 0.00 N ATOM 0 H HIS A 78 11.835 -4.109 7.452 1.00 0.00 H new ATOM 0 HA HIS A 78 9.448 -2.696 7.448 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.327 -3.592 9.509 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.802 -2.659 9.357 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.516 -1.447 11.575 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.340 -0.852 8.903 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.161 0.503 12.487 1.00 0.00 H new ATOM 1025 N LYS A 79 12.248 -0.920 7.119 1.00 0.00 N ATOM 1026 CA LYS A 79 12.782 0.333 6.684 1.00 0.00 C ATOM 1027 C LYS A 79 12.494 0.616 5.250 1.00 0.00 C ATOM 1028 O LYS A 79 12.063 1.712 4.896 1.00 0.00 O ATOM 1029 CB LYS A 79 14.304 0.431 6.881 1.00 0.00 C ATOM 1030 CG LYS A 79 14.801 0.070 8.282 1.00 0.00 C ATOM 1031 CD LYS A 79 16.270 0.453 8.466 1.00 0.00 C ATOM 1032 CE LYS A 79 17.012 -0.392 9.502 1.00 0.00 C ATOM 1033 NZ LYS A 79 17.379 -1.703 8.922 1.00 0.00 N ATOM 0 H LYS A 79 12.963 -1.606 7.361 1.00 0.00 H new ATOM 0 HA LYS A 79 12.281 1.070 7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.791 -0.225 6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.620 1.449 6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.193 0.581 9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.678 -1.000 8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.780 0.363 7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.327 1.501 8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.909 0.131 9.834 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.384 -0.538 10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.883 -2.269 9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.518 -2.205 8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.995 -1.557 8.097 1.00 0.00 H new ATOM 1047 N GLN A 80 12.716 -0.362 4.353 1.00 0.00 N ATOM 1048 CA GLN A 80 12.475 -0.179 2.955 1.00 0.00 C ATOM 1049 C GLN A 80 11.040 -0.068 2.572 1.00 0.00 C ATOM 1050 O GLN A 80 10.697 0.682 1.660 1.00 0.00 O ATOM 1051 CB GLN A 80 13.210 -1.249 2.129 1.00 0.00 C ATOM 1052 CG GLN A 80 13.798 -0.616 0.867 1.00 0.00 C ATOM 1053 CD GLN A 80 14.561 -1.632 0.029 1.00 0.00 C ATOM 1054 OE1 GLN A 80 15.713 -1.960 0.309 1.00 0.00 O ATOM 1055 NE2 GLN A 80 13.889 -2.152 -1.032 1.00 0.00 N ATOM 0 H GLN A 80 13.066 -1.288 4.599 1.00 0.00 H new ATOM 0 HA GLN A 80 12.890 0.800 2.715 1.00 0.00 H new ATOM 0 HB2 GLN A 80 14.004 -1.700 2.725 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.521 -2.049 1.858 1.00 0.00 H new ATOM 0 HG2 GLN A 80 12.996 -0.182 0.270 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.465 0.200 1.146 1.00 0.00 H new ATOM 0 HE21 GLN A 80 12.934 -1.851 -1.228 1.00 0.00 H new ATOM 0 HE22 GLN A 80 14.340 -2.843 -1.632 1.00 0.00 H new ATOM 1064 N ALA A 81 10.103 -0.750 3.256 1.00 0.00 N ATOM 1065 CA ALA A 81 8.710 -0.509 3.041 1.00 0.00 C ATOM 1066 C ALA A 81 8.275 0.860 3.437 1.00 0.00 C ATOM 1067 O ALA A 81 7.495 1.487 2.721 1.00 0.00 O ATOM 1068 CB ALA A 81 7.855 -1.515 3.829 1.00 0.00 C ATOM 0 H ALA A 81 10.309 -1.465 3.954 1.00 0.00 H new ATOM 0 HA ALA A 81 8.564 -0.620 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.799 -1.313 3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.091 -2.528 3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.068 -1.418 4.894 1.00 0.00 H new ATOM 1074 N VAL A 82 8.810 1.400 4.545 1.00 0.00 N ATOM 1075 CA VAL A 82 8.583 2.759 4.929 1.00 0.00 C ATOM 1076 C VAL A 82 9.010 3.703 3.858 1.00 0.00 C ATOM 1077 O VAL A 82 8.182 4.481 3.387 1.00 0.00 O ATOM 1078 CB VAL A 82 9.179 3.106 6.261 1.00 0.00 C ATOM 1079 CG1 VAL A 82 9.233 4.621 6.518 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.337 2.431 7.357 1.00 0.00 C ATOM 0 H VAL A 82 9.412 0.884 5.187 1.00 0.00 H new ATOM 0 HA VAL A 82 7.506 2.868 5.056 1.00 0.00 H new ATOM 0 HB VAL A 82 10.209 2.749 6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.674 4.808 7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.840 5.099 5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.223 5.031 6.490 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.754 2.671 8.335 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.310 2.793 7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.350 1.351 7.212 1.00 0.00 H new ATOM 1090 N GLU A 83 10.247 3.624 3.333 1.00 0.00 N ATOM 1091 CA GLU A 83 10.707 4.358 2.195 1.00 0.00 C ATOM 1092 C GLU A 83 9.797 4.352 1.016 1.00 0.00 C ATOM 1093 O GLU A 83 9.553 5.377 0.380 1.00 0.00 O ATOM 1094 CB GLU A 83 12.051 3.811 1.684 1.00 0.00 C ATOM 1095 CG GLU A 83 13.314 4.374 2.339 1.00 0.00 C ATOM 1096 CD GLU A 83 13.610 5.819 1.964 1.00 0.00 C ATOM 1097 OE1 GLU A 83 13.852 6.125 0.765 1.00 0.00 O ATOM 1098 OE2 GLU A 83 13.647 6.663 2.899 1.00 0.00 O ATOM 0 H GLU A 83 10.965 3.014 3.725 1.00 0.00 H new ATOM 0 HA GLU A 83 10.776 5.376 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.051 2.729 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.110 4.000 0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.213 4.303 3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.165 3.754 2.057 1.00 0.00 H new ATOM 1105 N THR A 84 9.261 3.170 0.663 1.00 0.00 N ATOM 1106 CA THR A 84 8.517 2.933 -0.535 1.00 0.00 C ATOM 1107 C THR A 84 7.151 3.529 -0.482 1.00 0.00 C ATOM 1108 O THR A 84 6.589 3.899 -1.511 1.00 0.00 O ATOM 1109 CB THR A 84 8.494 1.472 -0.877 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.801 0.917 -0.831 1.00 0.00 O ATOM 1111 CG2 THR A 84 8.072 1.212 -2.333 1.00 0.00 C ATOM 0 H THR A 84 9.352 2.336 1.244 1.00 0.00 H new ATOM 0 HA THR A 84 9.034 3.446 -1.346 1.00 0.00 H new ATOM 0 HB THR A 84 7.801 1.038 -0.157 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.095 0.849 0.101 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.073 0.139 -2.526 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.071 1.610 -2.498 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.773 1.702 -3.008 1.00 0.00 H new ATOM 1119 N LEU A 85 6.561 3.684 0.717 1.00 0.00 N ATOM 1120 CA LEU A 85 5.335 4.375 0.969 1.00 0.00 C ATOM 1121 C LEU A 85 5.494 5.825 1.274 1.00 0.00 C ATOM 1122 O LEU A 85 4.767 6.667 0.750 1.00 0.00 O ATOM 1123 CB LEU A 85 4.653 3.715 2.180 1.00 0.00 C ATOM 1124 CG LEU A 85 4.113 2.303 1.901 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.008 1.492 3.204 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.729 2.368 1.233 1.00 0.00 C ATOM 0 H LEU A 85 6.970 3.299 1.568 1.00 0.00 H new ATOM 0 HA LEU A 85 4.749 4.307 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.366 3.664 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.830 4.349 2.511 1.00 0.00 H new ATOM 0 HG LEU A 85 4.813 1.811 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.624 0.496 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.994 1.407 3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.331 1.997 3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.368 1.357 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.031 2.886 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.806 2.907 0.289 1.00 0.00 H new ATOM 1138 N ARG A 86 6.419 6.174 2.185 1.00 0.00 N ATOM 1139 CA ARG A 86 6.646 7.479 2.723 1.00 0.00 C ATOM 1140 C ARG A 86 7.388 8.380 1.797 1.00 0.00 C ATOM 1141 O ARG A 86 6.984 9.522 1.588 1.00 0.00 O ATOM 1142 CB ARG A 86 7.350 7.340 4.083 1.00 0.00 C ATOM 1143 CG ARG A 86 7.862 8.606 4.775 1.00 0.00 C ATOM 1144 CD ARG A 86 9.300 8.926 4.367 1.00 0.00 C ATOM 1145 NE ARG A 86 9.829 9.986 5.270 1.00 0.00 N ATOM 1146 CZ ARG A 86 10.484 9.740 6.442 1.00 0.00 C ATOM 1147 NH1 ARG A 86 10.955 8.498 6.760 1.00 0.00 N ATOM 1148 NH2 ARG A 86 10.704 10.763 7.317 1.00 0.00 N ATOM 0 H ARG A 86 7.061 5.485 2.577 1.00 0.00 H new ATOM 0 HA ARG A 86 5.679 7.962 2.861 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.658 6.847 4.765 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.199 6.669 3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.216 9.447 4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.810 8.477 5.856 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.919 8.031 4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.333 9.262 3.331 1.00 0.00 H new ATOM 0 HE ARG A 86 9.693 10.959 4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.821 7.721 6.113 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.440 8.348 7.644 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.380 11.704 7.093 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.193 10.587 8.195 1.00 0.00 H new ATOM 1162 N ASN A 87 8.508 7.945 1.193 1.00 0.00 N ATOM 1163 CA ASN A 87 9.431 8.801 0.513 1.00 0.00 C ATOM 1164 C ASN A 87 9.075 8.996 -0.921 1.00 0.00 C ATOM 1165 O ASN A 87 9.902 9.227 -1.802 1.00 0.00 O ATOM 1166 CB ASN A 87 10.863 8.272 0.694 1.00 0.00 C ATOM 1167 CG ASN A 87 11.898 9.385 0.633 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.606 10.555 0.388 1.00 0.00 O ATOM 1169 ND2 ASN A 87 13.175 9.008 0.909 1.00 0.00 N ATOM 0 H ASN A 87 8.781 6.962 1.177 1.00 0.00 H new ATOM 0 HA ASN A 87 9.373 9.792 0.964 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.940 7.758 1.652 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.077 7.536 -0.081 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.922 9.703 0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.386 8.030 1.108 1.00 0.00 H new ATOM 1176 N THR A 88 7.754 8.955 -1.173 1.00 0.00 N ATOM 1177 CA THR A 88 7.032 9.250 -2.371 1.00 0.00 C ATOM 1178 C THR A 88 6.811 10.721 -2.466 1.00 0.00 C ATOM 1179 O THR A 88 7.389 11.493 -1.703 1.00 0.00 O ATOM 1180 CB THR A 88 5.727 8.515 -2.310 1.00 0.00 C ATOM 1181 OG1 THR A 88 5.005 8.830 -1.128 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.032 7.009 -2.221 1.00 0.00 C ATOM 0 H THR A 88 7.110 8.677 -0.432 1.00 0.00 H new ATOM 0 HA THR A 88 7.589 8.936 -3.254 1.00 0.00 H new ATOM 0 HB THR A 88 5.146 8.791 -3.190 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.970 8.042 -0.546 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.097 6.451 -2.175 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.597 6.700 -3.100 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.618 6.809 -1.324 1.00 0.00 H new ATOM 1190 N GLY A 89 5.948 11.191 -3.384 1.00 0.00 N ATOM 1191 CA GLY A 89 5.530 12.559 -3.405 1.00 0.00 C ATOM 1192 C GLY A 89 4.408 12.782 -2.451 1.00 0.00 C ATOM 1193 O GLY A 89 4.587 12.772 -1.234 1.00 0.00 O ATOM 0 H GLY A 89 5.536 10.617 -4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.369 13.205 -3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.217 12.833 -4.412 1.00 0.00 H new ATOM 1197 N GLN A 90 3.190 12.991 -2.983 1.00 0.00 N ATOM 1198 CA GLN A 90 1.983 13.104 -2.226 1.00 0.00 C ATOM 1199 C GLN A 90 1.014 12.047 -2.631 1.00 0.00 C ATOM 1200 O GLN A 90 0.421 11.388 -1.779 1.00 0.00 O ATOM 1201 CB GLN A 90 1.398 14.520 -2.361 1.00 0.00 C ATOM 1202 CG GLN A 90 0.217 14.785 -1.424 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.024 16.276 -1.235 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -0.968 16.864 -1.758 1.00 0.00 O ATOM 1205 NE2 GLN A 90 0.868 16.923 -0.437 1.00 0.00 N ATOM 0 H GLN A 90 3.041 13.085 -3.988 1.00 0.00 H new ATOM 0 HA GLN A 90 2.204 12.947 -1.170 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.182 15.249 -2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.076 14.675 -3.391 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.681 14.319 -1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.408 14.321 -0.456 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.642 16.409 -0.016 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.763 17.922 -0.260 1.00 0.00 H new ATOM 1214 N VAL A 91 0.832 11.809 -3.943 1.00 0.00 N ATOM 1215 CA VAL A 91 0.035 10.730 -4.436 1.00 0.00 C ATOM 1216 C VAL A 91 0.701 9.410 -4.250 1.00 0.00 C ATOM 1217 O VAL A 91 1.866 9.205 -4.588 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.402 10.878 -5.864 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.122 9.629 -6.401 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.334 12.100 -5.923 1.00 0.00 C ATOM 0 H VAL A 91 1.249 12.381 -4.678 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.868 10.771 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 91 0.476 11.008 -6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.414 9.795 -7.438 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.452 8.771 -6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.010 9.435 -5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.678 12.246 -6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.193 11.934 -5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.793 12.986 -5.592 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.068 8.472 -3.670 1.00 0.00 N ATOM 1231 CA VAL A 92 0.308 7.121 -3.388 1.00 0.00 C ATOM 1232 C VAL A 92 -0.755 6.223 -3.922 1.00 0.00 C ATOM 1233 O VAL A 92 -1.816 6.024 -3.331 1.00 0.00 O ATOM 1234 CB VAL A 92 0.518 6.972 -1.911 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.635 5.504 -1.468 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.797 7.728 -1.511 1.00 0.00 C ATOM 0 H VAL A 92 -1.024 8.674 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 92 1.247 6.849 -3.871 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.358 7.387 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.786 5.460 -0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.280 4.971 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.482 5.038 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.959 7.626 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.649 7.311 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.690 8.783 -1.763 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.520 5.633 -5.107 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.277 4.572 -5.695 1.00 0.00 C ATOM 1248 C HIS A 93 -0.922 3.271 -5.062 1.00 0.00 C ATOM 1249 O HIS A 93 0.093 2.667 -5.403 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.025 4.528 -7.212 1.00 0.00 C ATOM 1251 CG HIS A 93 -2.017 3.803 -8.070 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -1.610 3.376 -9.318 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -3.371 3.712 -7.969 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -2.715 3.043 -9.958 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -3.816 3.225 -9.182 1.00 0.00 N ATOM 0 H HIS A 93 0.260 5.921 -5.699 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.338 4.754 -5.524 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.962 5.556 -7.570 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -0.048 4.074 -7.375 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.976 3.969 -7.112 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.741 2.672 -10.972 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -4.784 3.038 -9.445 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.729 2.791 -4.099 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.509 1.616 -3.313 1.00 0.00 C ATOM 1265 C LEU A 94 -2.001 0.417 -4.045 1.00 0.00 C ATOM 1266 O LEU A 94 -3.202 0.230 -4.234 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.285 1.679 -1.986 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.683 2.482 -0.820 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.208 1.941 0.520 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.151 2.370 -0.754 1.00 0.00 C ATOM 0 H LEU A 94 -2.600 3.260 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.438 1.555 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.271 2.092 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.435 0.656 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.972 3.519 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.776 2.516 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.294 2.030 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.927 0.893 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.221 2.956 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.132 1.326 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.282 2.749 -1.680 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.080 -0.476 -4.451 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.409 -1.773 -4.957 1.00 0.00 C ATOM 1284 C LEU A 95 -1.509 -2.711 -3.803 1.00 0.00 C ATOM 1285 O LEU A 95 -0.507 -3.193 -3.277 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.327 -2.241 -5.945 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.868 -2.934 -7.206 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.296 -3.621 -7.942 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -1.997 -3.934 -6.912 1.00 0.00 C ATOM 0 H LEU A 95 -0.077 -0.290 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.359 -1.743 -5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.268 -1.379 -6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.345 -2.927 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.312 -2.166 -7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.081 -4.115 -8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.039 -2.875 -8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.755 -4.361 -7.286 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.333 -4.387 -7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.629 -4.711 -6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.830 -3.413 -6.440 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.752 -2.957 -3.354 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.103 -3.778 -2.237 1.00 0.00 C ATOM 1303 C LEU A 96 -3.570 -5.108 -2.718 1.00 0.00 C ATOM 1304 O LEU A 96 -4.181 -5.216 -3.781 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.248 -3.140 -1.432 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.842 -1.888 -0.636 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.754 -0.693 -0.963 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.865 -2.183 0.874 1.00 0.00 C ATOM 0 H LEU A 96 -3.572 -2.552 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.220 -3.882 -1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.054 -2.875 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.648 -3.882 -0.741 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.826 -1.621 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.439 0.175 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.685 -0.463 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.785 -0.942 -0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.575 -1.288 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.870 -2.482 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.166 -2.988 1.098 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.325 -6.179 -1.941 1.00 0.00 N ATOM 1321 CA GLU A 97 -3.922 -7.462 -2.143 1.00 0.00 C ATOM 1322 C GLU A 97 -4.715 -7.804 -0.928 1.00 0.00 C ATOM 1323 O GLU A 97 -4.270 -7.683 0.211 1.00 0.00 O ATOM 1324 CB GLU A 97 -2.900 -8.584 -2.393 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.470 -9.869 -2.996 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.393 -10.908 -3.278 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.860 -11.507 -2.306 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.108 -11.183 -4.475 1.00 0.00 O ATOM 0 H GLU A 97 -2.689 -6.150 -1.144 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.542 -7.393 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.124 -8.204 -3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.417 -8.830 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.208 -10.291 -2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.993 -9.631 -3.923 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.957 -8.268 -1.155 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.859 -8.720 -0.141 1.00 0.00 C ATOM 1337 C LYS A 98 -6.426 -10.055 0.361 1.00 0.00 C ATOM 1338 O LYS A 98 -5.989 -10.907 -0.412 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.272 -8.783 -0.746 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.425 -9.249 0.145 1.00 0.00 C ATOM 1341 CD LYS A 98 -9.623 -8.476 1.451 1.00 0.00 C ATOM 1342 CE LYS A 98 -9.807 -6.966 1.289 1.00 0.00 C ATOM 1343 NZ LYS A 98 -9.765 -6.268 2.593 1.00 0.00 N ATOM 0 H LYS A 98 -6.352 -8.331 -2.093 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.862 -8.033 0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.519 -7.788 -1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.233 -9.444 -1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.349 -9.191 -0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.267 -10.300 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.495 -8.880 1.965 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.762 -8.655 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.026 -6.572 0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.760 -6.766 0.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.247 -5.350 2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.244 -6.847 3.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.775 -6.116 2.874 1.00 0.00 H new ATOM 1434 N LEU B 206 9.048 -2.136 15.021 1.00 0.00 N ATOM 1435 CA LEU B 206 8.193 -2.251 13.881 1.00 0.00 C ATOM 1436 C LEU B 206 7.128 -1.216 13.996 1.00 0.00 C ATOM 1437 O LEU B 206 7.105 -0.449 14.958 1.00 0.00 O ATOM 1438 CB LEU B 206 7.593 -3.666 13.801 1.00 0.00 C ATOM 1439 CG LEU B 206 6.877 -4.077 12.503 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.712 -3.770 11.250 1.00 0.00 C ATOM 1441 CD2 LEU B 206 6.649 -5.597 12.575 1.00 0.00 C ATOM 0 HA LEU B 206 8.758 -2.090 12.963 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.397 -4.380 13.978 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.884 -3.774 14.622 1.00 0.00 H new ATOM 0 HG LEU B 206 5.947 -3.514 12.422 1.00 0.00 H new ATOM 0 HD11 LEU B 206 7.162 -4.079 10.361 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.912 -2.700 11.199 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.656 -4.313 11.300 1.00 0.00 H new ATOM 0 HD21 LEU B 206 6.142 -5.932 11.670 1.00 0.00 H new ATOM 0 HD22 LEU B 206 7.609 -6.105 12.662 1.00 0.00 H new ATOM 0 HD23 LEU B 206 6.034 -5.832 13.444 1.00 0.00 H new ATOM 1453 N VAL B 207 6.220 -1.142 13.006 1.00 0.00 N ATOM 1454 CA VAL B 207 5.020 -0.366 13.034 1.00 0.00 C ATOM 1455 C VAL B 207 5.240 1.107 13.021 1.00 0.00 C ATOM 1456 O VAL B 207 5.667 1.764 13.970 1.00 0.00 O ATOM 1457 CB VAL B 207 3.995 -0.917 13.982 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.065 0.144 14.594 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.224 -2.032 13.255 1.00 0.00 C ATOM 0 H VAL B 207 6.332 -1.656 12.132 1.00 0.00 H new ATOM 0 HA VAL B 207 4.532 -0.493 12.067 1.00 0.00 H new ATOM 0 HB VAL B 207 4.514 -1.325 14.849 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.355 -0.338 15.266 1.00 0.00 H new ATOM 0 HG12 VAL B 207 3.658 0.869 15.152 1.00 0.00 H new ATOM 0 HG13 VAL B 207 2.522 0.654 13.798 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.472 -2.450 13.924 1.00 0.00 H new ATOM 0 HG22 VAL B 207 2.736 -1.620 12.372 1.00 0.00 H new ATOM 0 HG23 VAL B 207 3.918 -2.817 12.954 1.00 0.00 H new ATOM 1469 N THR B 208 4.987 1.683 11.833 1.00 0.00 N ATOM 1470 CA THR B 208 5.283 3.050 11.530 1.00 0.00 C ATOM 1471 C THR B 208 4.098 3.470 10.731 1.00 0.00 C ATOM 1472 O THR B 208 3.791 2.817 9.735 1.00 0.00 O ATOM 1473 CB THR B 208 6.509 3.215 10.683 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.626 2.557 11.262 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.892 4.697 10.530 1.00 0.00 C ATOM 0 H THR B 208 4.561 1.180 11.055 1.00 0.00 H new ATOM 0 HA THR B 208 5.471 3.624 12.437 1.00 0.00 H new ATOM 0 HB THR B 208 6.267 2.782 9.713 1.00 0.00 H new ATOM 0 HG1 THR B 208 7.780 1.707 10.800 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.785 4.780 9.910 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.072 5.238 10.059 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.091 5.125 11.513 1.00 0.00 H new ATOM 1483 N SER B 209 3.384 4.523 11.169 1.00 0.00 N ATOM 1484 CA SER B 209 2.283 5.093 10.458 1.00 0.00 C ATOM 1485 C SER B 209 2.783 5.998 9.386 1.00 0.00 C ATOM 1486 O SER B 209 3.527 6.945 9.638 1.00 0.00 O ATOM 1487 CB SER B 209 1.279 5.832 11.360 1.00 0.00 C ATOM 1488 OG SER B 209 1.929 6.637 12.331 1.00 0.00 O ATOM 0 H SER B 209 3.582 4.995 12.052 1.00 0.00 H new ATOM 0 HA SER B 209 1.735 4.260 10.018 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.631 6.457 10.745 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.639 5.106 11.861 1.00 0.00 H new ATOM 0 HG SER B 209 1.258 7.091 12.882 1.00 0.00 H new ATOM 1494 N VAL B 210 2.418 5.709 8.124 1.00 0.00 N ATOM 1495 CA VAL B 210 2.971 6.330 6.960 1.00 0.00 C ATOM 1496 C VAL B 210 1.838 6.380 5.944 1.00 0.00 C ATOM 1497 O VAL B 210 0.751 5.783 6.161 1.00 0.00 O ATOM 1498 CB VAL B 210 4.125 5.613 6.325 1.00 0.00 C ATOM 1499 CG1 VAL B 210 5.395 5.896 7.144 1.00 0.00 C ATOM 1500 CG2 VAL B 210 3.847 4.107 6.193 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.039 7.123 4.947 1.00 0.00 O ATOM 0 H VAL B 210 1.706 5.012 7.905 1.00 0.00 H new ATOM 0 HA VAL B 210 3.369 7.298 7.265 1.00 0.00 H new ATOM 0 HB VAL B 210 4.270 5.983 5.310 1.00 0.00 H new ATOM 0 HG11 VAL B 210 6.242 5.380 6.692 1.00 0.00 H new ATOM 0 HG12 VAL B 210 5.588 6.969 7.156 1.00 0.00 H new ATOM 0 HG13 VAL B 210 5.256 5.541 8.165 1.00 0.00 H new ATOM 0 HG21 VAL B 210 4.704 3.618 5.729 1.00 0.00 H new ATOM 0 HG22 VAL B 210 3.677 3.680 7.182 1.00 0.00 H new ATOM 0 HG23 VAL B 210 2.963 3.953 5.575 1.00 0.00 H new