USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 479 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: B 20 THR OG1 : rot -17:sc= -1.41! USER MOD Set 1.2: B 21 MET CE :methyl -171:sc= 0 (180deg=-0.00709) USER MOD Set 2.1: A 20 THR OG1 : rot -15:sc= -1.34! USER MOD Set 2.2: A 21 MET CE :methyl -172:sc= 0 (180deg=-0.00549) USER MOD Single : A 12 MET CE :methyl -157:sc= -0.114 (180deg=-0.971) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -158:sc= -0.0635 (180deg=-0.733) USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= -3.43 (180deg=-3.48) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -161:sc= -0.897 (180deg=-1.56) USER MOD Single : B 5 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.294) USER MOD Single : B 12 MET CE :methyl -160:sc= -0.107 (180deg=-0.961) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 MET CE :methyl -159:sc= -0.0673 (180deg=-0.669) USER MOD Single : B 30 LYS NZ :NH3+ -179:sc= -3.42 (180deg=-3.5) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -156:sc= -1.01 (180deg=-1.63) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 7 7.218 4.116 -1.447 1.00 0.00 N ATOM 30 CA ALA A 7 7.225 5.168 -0.441 1.00 0.00 C ATOM 31 C ALA A 7 6.628 4.658 0.867 1.00 0.00 C ATOM 32 O ALA A 7 6.911 5.195 1.939 1.00 0.00 O ATOM 33 CB ALA A 7 6.420 6.370 -0.937 1.00 0.00 C ATOM 0 HA ALA A 7 8.257 5.471 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.430 7.153 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.864 6.750 -1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.392 6.065 -1.130 1.00 0.00 H new ATOM 39 N ILE A 8 5.796 3.624 0.774 1.00 0.00 N ATOM 40 CA ILE A 8 5.163 3.064 1.966 1.00 0.00 C ATOM 41 C ILE A 8 6.204 2.470 2.911 1.00 0.00 C ATOM 42 O ILE A 8 6.191 2.748 4.110 1.00 0.00 O ATOM 43 CB ILE A 8 4.163 1.972 1.575 1.00 0.00 C ATOM 44 CG1 ILE A 8 3.159 2.514 0.544 1.00 0.00 C ATOM 45 CG2 ILE A 8 3.414 1.493 2.823 1.00 0.00 C ATOM 46 CD1 ILE A 8 2.482 3.790 1.058 1.00 0.00 C ATOM 0 H ILE A 8 5.547 3.162 -0.100 1.00 0.00 H new ATOM 0 HA ILE A 8 4.642 3.875 2.475 1.00 0.00 H new ATOM 0 HB ILE A 8 4.705 1.137 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.672 2.723 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.404 1.757 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.702 0.716 2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.127 1.091 3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.879 2.331 3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.777 4.154 0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.950 3.572 1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.238 4.553 1.245 1.00 0.00 H new ATOM 58 N ILE A 9 7.105 1.648 2.372 1.00 0.00 N ATOM 59 CA ILE A 9 8.133 1.030 3.201 1.00 0.00 C ATOM 60 C ILE A 9 9.139 2.080 3.668 1.00 0.00 C ATOM 61 O ILE A 9 9.536 2.103 4.833 1.00 0.00 O ATOM 62 CB ILE A 9 8.848 -0.083 2.417 1.00 0.00 C ATOM 63 CG1 ILE A 9 9.698 -0.947 3.374 1.00 0.00 C ATOM 64 CG2 ILE A 9 9.753 0.542 1.354 1.00 0.00 C ATOM 65 CD1 ILE A 9 8.836 -2.048 4.012 1.00 0.00 C ATOM 0 H ILE A 9 7.143 1.400 1.383 1.00 0.00 H new ATOM 0 HA ILE A 9 7.658 0.590 4.078 1.00 0.00 H new ATOM 0 HB ILE A 9 8.101 -0.715 1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.527 -1.397 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.132 -0.319 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.260 -0.247 0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.151 1.139 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.494 1.180 1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.450 -2.648 4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.022 -1.592 4.575 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.424 -2.686 3.230 1.00 0.00 H new ATOM 77 N GLY A 10 9.545 2.943 2.739 1.00 0.00 N ATOM 78 CA GLY A 10 10.509 4.002 3.038 1.00 0.00 C ATOM 79 C GLY A 10 10.296 4.567 4.441 1.00 0.00 C ATOM 80 O GLY A 10 11.242 4.702 5.218 1.00 0.00 O ATOM 0 H GLY A 10 9.222 2.930 1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.522 3.609 2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.414 4.802 2.303 1.00 0.00 H new ATOM 84 N LEU A 11 9.045 4.873 4.765 1.00 0.00 N ATOM 85 CA LEU A 11 8.709 5.396 6.084 1.00 0.00 C ATOM 86 C LEU A 11 8.786 4.292 7.139 1.00 0.00 C ATOM 87 O LEU A 11 9.171 4.538 8.275 1.00 0.00 O ATOM 88 CB LEU A 11 7.303 6.020 6.066 1.00 0.00 C ATOM 89 CG LEU A 11 7.371 7.473 5.556 1.00 0.00 C ATOM 90 CD1 LEU A 11 8.091 8.377 6.583 1.00 0.00 C ATOM 91 CD2 LEU A 11 8.116 7.505 4.214 1.00 0.00 C ATOM 0 H LEU A 11 8.249 4.769 4.135 1.00 0.00 H new ATOM 0 HA LEU A 11 9.433 6.168 6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.645 5.433 5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.875 5.998 7.068 1.00 0.00 H new ATOM 0 HG LEU A 11 6.357 7.850 5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.129 9.399 6.205 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.547 8.360 7.527 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.105 8.011 6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.166 8.531 3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.126 7.118 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.585 6.888 3.489 1.00 0.00 H new ATOM 103 N MET A 12 8.394 3.086 6.758 1.00 0.00 N ATOM 104 CA MET A 12 8.399 1.959 7.666 1.00 0.00 C ATOM 105 C MET A 12 9.786 1.712 8.244 1.00 0.00 C ATOM 106 O MET A 12 9.994 1.810 9.453 1.00 0.00 O ATOM 107 CB MET A 12 7.938 0.742 6.870 1.00 0.00 C ATOM 108 CG MET A 12 7.471 -0.367 7.793 1.00 0.00 C ATOM 109 SD MET A 12 8.899 -1.169 8.575 1.00 0.00 S ATOM 110 CE MET A 12 8.553 -0.705 10.295 1.00 0.00 C ATOM 0 H MET A 12 8.067 2.866 5.817 1.00 0.00 H new ATOM 0 HA MET A 12 7.736 2.157 8.508 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.127 1.027 6.200 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.755 0.380 6.246 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.809 0.040 8.557 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.895 -1.101 7.230 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.477 -0.734 10.873 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.139 0.303 10.324 1.00 0.00 H new ATOM 0 HE3 MET A 12 7.835 -1.405 10.723 1.00 0.00 H new ATOM 120 N VAL A 13 10.724 1.383 7.373 1.00 0.00 N ATOM 121 CA VAL A 13 12.086 1.112 7.799 1.00 0.00 C ATOM 122 C VAL A 13 12.772 2.380 8.293 1.00 0.00 C ATOM 123 O VAL A 13 13.739 2.313 9.049 1.00 0.00 O ATOM 124 CB VAL A 13 12.865 0.489 6.646 1.00 0.00 C ATOM 125 CG1 VAL A 13 12.210 -0.841 6.273 1.00 0.00 C ATOM 126 CG2 VAL A 13 12.838 1.432 5.439 1.00 0.00 C ATOM 0 H VAL A 13 10.568 1.297 6.369 1.00 0.00 H new ATOM 0 HA VAL A 13 12.059 0.411 8.633 1.00 0.00 H new ATOM 0 HB VAL A 13 13.900 0.322 6.944 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.758 -1.298 5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.227 -1.509 7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.178 -0.666 5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.395 0.985 4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.806 1.599 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.294 2.384 5.711 1.00 0.00 H new ATOM 136 N GLY A 14 12.275 3.535 7.870 1.00 0.00 N ATOM 137 CA GLY A 14 12.861 4.798 8.299 1.00 0.00 C ATOM 138 C GLY A 14 12.450 5.142 9.732 1.00 0.00 C ATOM 139 O GLY A 14 13.286 5.525 10.549 1.00 0.00 O ATOM 0 H GLY A 14 11.479 3.624 7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.947 4.738 8.234 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.545 5.595 7.626 1.00 0.00 H new ATOM 143 N GLY A 15 11.153 5.029 10.021 1.00 0.00 N ATOM 144 CA GLY A 15 10.643 5.361 11.348 1.00 0.00 C ATOM 145 C GLY A 15 11.439 4.650 12.430 1.00 0.00 C ATOM 146 O GLY A 15 11.914 5.274 13.373 1.00 0.00 O ATOM 0 H GLY A 15 10.444 4.713 9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.695 6.439 11.502 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.593 5.079 11.419 1.00 0.00 H new ATOM 150 N VAL A 16 11.566 3.342 12.290 1.00 0.00 N ATOM 151 CA VAL A 16 12.296 2.567 13.278 1.00 0.00 C ATOM 152 C VAL A 16 13.634 3.243 13.581 1.00 0.00 C ATOM 153 O VAL A 16 13.991 3.425 14.744 1.00 0.00 O ATOM 154 CB VAL A 16 12.506 1.126 12.799 1.00 0.00 C ATOM 155 CG1 VAL A 16 11.189 0.352 12.913 1.00 0.00 C ATOM 156 CG2 VAL A 16 12.967 1.125 11.342 1.00 0.00 C ATOM 0 H VAL A 16 11.180 2.801 11.516 1.00 0.00 H new ATOM 0 HA VAL A 16 11.708 2.526 14.195 1.00 0.00 H new ATOM 0 HB VAL A 16 13.266 0.651 13.419 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.338 -0.673 12.572 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.860 0.345 13.952 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.430 0.832 12.296 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.114 0.098 11.008 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.210 1.604 10.721 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.906 1.673 11.257 1.00 0.00 H new ATOM 166 N VAL A 17 14.368 3.608 12.535 1.00 0.00 N ATOM 167 CA VAL A 17 15.667 4.254 12.719 1.00 0.00 C ATOM 168 C VAL A 17 15.525 5.555 13.514 1.00 0.00 C ATOM 169 O VAL A 17 16.280 5.795 14.449 1.00 0.00 O ATOM 170 CB VAL A 17 16.302 4.558 11.361 1.00 0.00 C ATOM 171 CG1 VAL A 17 17.607 5.327 11.574 1.00 0.00 C ATOM 172 CG2 VAL A 17 16.600 3.246 10.629 1.00 0.00 C ATOM 0 H VAL A 17 14.092 3.471 11.563 1.00 0.00 H new ATOM 0 HA VAL A 17 16.306 3.569 13.277 1.00 0.00 H new ATOM 0 HB VAL A 17 15.615 5.158 10.765 1.00 0.00 H new ATOM 0 HG11 VAL A 17 18.062 5.545 10.608 1.00 0.00 H new ATOM 0 HG12 VAL A 17 17.398 6.261 12.096 1.00 0.00 H new ATOM 0 HG13 VAL A 17 18.292 4.724 12.170 1.00 0.00 H new ATOM 0 HG21 VAL A 17 17.052 3.464 9.662 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.288 2.645 11.224 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.672 2.694 10.480 1.00 0.00 H new ATOM 182 N ILE A 18 14.555 6.388 13.154 1.00 0.00 N ATOM 183 CA ILE A 18 14.365 7.642 13.884 1.00 0.00 C ATOM 184 C ILE A 18 14.030 7.321 15.337 1.00 0.00 C ATOM 185 O ILE A 18 14.596 7.892 16.269 1.00 0.00 O ATOM 186 CB ILE A 18 13.236 8.470 13.263 1.00 0.00 C ATOM 187 CG1 ILE A 18 13.504 8.688 11.765 1.00 0.00 C ATOM 188 CG2 ILE A 18 13.144 9.823 13.973 1.00 0.00 C ATOM 189 CD1 ILE A 18 14.893 9.300 11.541 1.00 0.00 C ATOM 0 H ILE A 18 13.904 6.228 12.385 1.00 0.00 H new ATOM 0 HA ILE A 18 15.283 8.227 13.830 1.00 0.00 H new ATOM 0 HB ILE A 18 12.294 7.933 13.379 1.00 0.00 H new ATOM 0 HG12 ILE A 18 13.431 7.738 11.236 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.741 9.345 11.347 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.340 10.412 13.531 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.938 9.665 15.032 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.088 10.357 13.863 1.00 0.00 H new ATOM 0 HD11 ILE A 18 15.059 9.445 10.473 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.954 10.261 12.051 1.00 0.00 H new ATOM 0 HD13 ILE A 18 15.655 8.629 11.939 1.00 0.00 H new ATOM 201 N ALA A 19 13.099 6.400 15.502 1.00 0.00 N ATOM 202 CA ALA A 19 12.664 5.983 16.827 1.00 0.00 C ATOM 203 C ALA A 19 13.867 5.577 17.679 1.00 0.00 C ATOM 204 O ALA A 19 13.913 5.857 18.874 1.00 0.00 O ATOM 205 CB ALA A 19 11.695 4.806 16.712 1.00 0.00 C ATOM 0 H ALA A 19 12.627 5.924 14.734 1.00 0.00 H new ATOM 0 HA ALA A 19 12.158 6.821 17.306 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.374 4.500 17.708 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.826 5.106 16.127 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.193 3.971 16.219 1.00 0.00 H new ATOM 211 N THR A 20 14.838 4.915 17.056 1.00 0.00 N ATOM 212 CA THR A 20 16.036 4.476 17.772 1.00 0.00 C ATOM 213 C THR A 20 16.908 5.665 18.172 1.00 0.00 C ATOM 214 O THR A 20 17.693 5.576 19.113 1.00 0.00 O ATOM 215 CB THR A 20 16.870 3.526 16.894 1.00 0.00 C ATOM 216 OG1 THR A 20 17.407 4.261 15.807 1.00 0.00 O ATOM 217 CG2 THR A 20 16.006 2.377 16.333 1.00 0.00 C ATOM 0 H THR A 20 14.822 4.672 16.066 1.00 0.00 H new ATOM 0 HA THR A 20 15.705 3.956 18.671 1.00 0.00 H new ATOM 0 HB THR A 20 17.662 3.097 17.508 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.946 5.123 15.735 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.624 1.724 15.717 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.583 1.804 17.158 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.200 2.790 15.727 1.00 0.00 H new ATOM 225 N MET A 21 16.779 6.767 17.446 1.00 0.00 N ATOM 226 CA MET A 21 17.571 7.959 17.736 1.00 0.00 C ATOM 227 C MET A 21 16.993 8.762 18.902 1.00 0.00 C ATOM 228 O MET A 21 17.747 9.282 19.725 1.00 0.00 O ATOM 229 CB MET A 21 17.673 8.853 16.485 1.00 0.00 C ATOM 230 CG MET A 21 18.809 8.367 15.572 1.00 0.00 C ATOM 231 SD MET A 21 18.673 6.577 15.322 1.00 0.00 S ATOM 232 CE MET A 21 20.253 6.076 16.053 1.00 0.00 C ATOM 0 H MET A 21 16.139 6.863 16.657 1.00 0.00 H new ATOM 0 HA MET A 21 18.567 7.622 18.025 1.00 0.00 H new ATOM 0 HB2 MET A 21 16.729 8.838 15.941 1.00 0.00 H new ATOM 0 HB3 MET A 21 17.853 9.886 16.782 1.00 0.00 H new ATOM 0 HG2 MET A 21 18.762 8.882 14.612 1.00 0.00 H new ATOM 0 HG3 MET A 21 19.774 8.609 16.017 1.00 0.00 H new ATOM 0 HE1 MET A 21 20.420 5.015 15.867 1.00 0.00 H new ATOM 0 HE2 MET A 21 21.061 6.654 15.605 1.00 0.00 H new ATOM 0 HE3 MET A 21 20.230 6.257 17.128 1.00 0.00 H new ATOM 242 N ILE A 22 15.666 8.883 18.976 1.00 0.00 N ATOM 243 CA ILE A 22 15.052 9.651 20.053 1.00 0.00 C ATOM 244 C ILE A 22 15.183 8.948 21.401 1.00 0.00 C ATOM 245 O ILE A 22 15.485 9.580 22.406 1.00 0.00 O ATOM 246 CB ILE A 22 13.572 9.877 19.746 1.00 0.00 C ATOM 247 CG1 ILE A 22 13.445 10.769 18.509 1.00 0.00 C ATOM 248 CG2 ILE A 22 12.897 10.569 20.942 1.00 0.00 C ATOM 249 CD1 ILE A 22 12.005 10.729 18.001 1.00 0.00 C ATOM 0 H ILE A 22 15.009 8.467 18.316 1.00 0.00 H new ATOM 0 HA ILE A 22 15.576 10.605 20.117 1.00 0.00 H new ATOM 0 HB ILE A 22 13.088 8.918 19.561 1.00 0.00 H new ATOM 0 HG12 ILE A 22 13.727 11.793 18.755 1.00 0.00 H new ATOM 0 HG13 ILE A 22 14.127 10.428 17.730 1.00 0.00 H new ATOM 0 HG21 ILE A 22 11.842 10.729 20.721 1.00 0.00 H new ATOM 0 HG22 ILE A 22 12.991 9.940 21.827 1.00 0.00 H new ATOM 0 HG23 ILE A 22 13.379 11.529 21.126 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.912 11.364 17.120 1.00 0.00 H new ATOM 0 HD12 ILE A 22 11.740 9.705 17.740 1.00 0.00 H new ATOM 0 HD13 ILE A 22 11.334 11.090 18.780 1.00 0.00 H new ATOM 261 N VAL A 23 14.911 7.651 21.436 1.00 0.00 N ATOM 262 CA VAL A 23 14.965 6.915 22.692 1.00 0.00 C ATOM 263 C VAL A 23 16.313 7.085 23.365 1.00 0.00 C ATOM 264 O VAL A 23 16.391 7.212 24.586 1.00 0.00 O ATOM 265 CB VAL A 23 14.711 5.434 22.435 1.00 0.00 C ATOM 266 CG1 VAL A 23 13.335 5.256 21.770 1.00 0.00 C ATOM 267 CG2 VAL A 23 15.823 4.875 21.528 1.00 0.00 C ATOM 0 H VAL A 23 14.654 7.093 20.622 1.00 0.00 H new ATOM 0 HA VAL A 23 14.194 7.313 23.352 1.00 0.00 H new ATOM 0 HB VAL A 23 14.717 4.889 23.379 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.154 4.197 21.586 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.559 5.648 22.428 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.316 5.797 20.824 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.643 3.816 21.343 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.825 5.414 20.580 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.789 4.999 22.018 1.00 0.00 H new ATOM 277 N ILE A 24 17.378 7.116 22.572 1.00 0.00 N ATOM 278 CA ILE A 24 18.709 7.307 23.140 1.00 0.00 C ATOM 279 C ILE A 24 18.662 8.464 24.147 1.00 0.00 C ATOM 280 O ILE A 24 19.166 8.338 25.257 1.00 0.00 O ATOM 281 CB ILE A 24 19.734 7.572 21.997 1.00 0.00 C ATOM 282 CG1 ILE A 24 20.496 6.276 21.641 1.00 0.00 C ATOM 283 CG2 ILE A 24 20.758 8.641 22.403 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.532 5.082 21.512 1.00 0.00 C ATOM 0 H ILE A 24 17.350 7.014 21.557 1.00 0.00 H new ATOM 0 HA ILE A 24 19.031 6.409 23.668 1.00 0.00 H new ATOM 0 HB ILE A 24 19.169 7.923 21.134 1.00 0.00 H new ATOM 0 HG12 ILE A 24 21.036 6.414 20.704 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.240 6.065 22.410 1.00 0.00 H new ATOM 0 HG21 ILE A 24 21.459 8.803 21.584 1.00 0.00 H new ATOM 0 HG22 ILE A 24 20.241 9.574 22.628 1.00 0.00 H new ATOM 0 HG23 ILE A 24 21.303 8.306 23.286 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.097 4.184 21.261 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.011 4.931 22.458 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.805 5.285 20.726 1.00 0.00 H new ATOM 296 N THR A 25 18.045 9.578 23.747 1.00 0.00 N ATOM 297 CA THR A 25 17.932 10.742 24.629 1.00 0.00 C ATOM 298 C THR A 25 17.162 10.353 25.899 1.00 0.00 C ATOM 299 O THR A 25 17.628 10.573 27.017 1.00 0.00 O ATOM 300 CB THR A 25 17.215 11.883 23.873 1.00 0.00 C ATOM 301 OG1 THR A 25 18.137 12.521 23.005 1.00 0.00 O ATOM 302 CG2 THR A 25 16.632 12.922 24.845 1.00 0.00 C ATOM 0 H THR A 25 17.620 9.699 22.828 1.00 0.00 H new ATOM 0 HA THR A 25 18.923 11.087 24.924 1.00 0.00 H new ATOM 0 HB THR A 25 16.393 11.450 23.303 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.685 13.244 22.522 1.00 0.00 H new ATOM 0 HG21 THR A 25 16.135 13.710 24.280 1.00 0.00 H new ATOM 0 HG22 THR A 25 15.911 12.439 25.505 1.00 0.00 H new ATOM 0 HG23 THR A 25 17.436 13.354 25.441 1.00 0.00 H new ATOM 310 N LEU A 26 15.980 9.781 25.701 1.00 0.00 N ATOM 311 CA LEU A 26 15.123 9.356 26.810 1.00 0.00 C ATOM 312 C LEU A 26 15.912 8.515 27.810 1.00 0.00 C ATOM 313 O LEU A 26 15.733 8.634 29.019 1.00 0.00 O ATOM 314 CB LEU A 26 13.953 8.548 26.228 1.00 0.00 C ATOM 315 CG LEU A 26 13.077 7.881 27.319 1.00 0.00 C ATOM 316 CD1 LEU A 26 13.776 6.649 27.944 1.00 0.00 C ATOM 317 CD2 LEU A 26 12.699 8.901 28.413 1.00 0.00 C ATOM 0 H LEU A 26 15.588 9.598 24.777 1.00 0.00 H new ATOM 0 HA LEU A 26 14.745 10.228 27.343 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.330 9.206 25.622 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.345 7.778 25.563 1.00 0.00 H new ATOM 0 HG LEU A 26 12.165 7.531 26.836 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.129 6.210 28.704 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.976 5.911 27.167 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.716 6.957 28.402 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.084 8.413 29.169 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.605 9.289 28.878 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.140 9.723 27.966 1.00 0.00 H new ATOM 329 N VAL A 27 16.802 7.683 27.304 1.00 0.00 N ATOM 330 CA VAL A 27 17.606 6.852 28.189 1.00 0.00 C ATOM 331 C VAL A 27 18.507 7.719 29.073 1.00 0.00 C ATOM 332 O VAL A 27 18.321 7.783 30.285 1.00 0.00 O ATOM 333 CB VAL A 27 18.451 5.876 27.368 1.00 0.00 C ATOM 334 CG1 VAL A 27 19.458 5.162 28.282 1.00 0.00 C ATOM 335 CG2 VAL A 27 17.524 4.846 26.711 1.00 0.00 C ATOM 0 H VAL A 27 16.987 7.563 26.308 1.00 0.00 H new ATOM 0 HA VAL A 27 16.936 6.284 28.835 1.00 0.00 H new ATOM 0 HB VAL A 27 18.999 6.421 26.599 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.057 4.468 27.692 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.111 5.899 28.749 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.921 4.611 29.055 1.00 0.00 H new ATOM 0 HG21 VAL A 27 18.117 4.145 26.123 1.00 0.00 H new ATOM 0 HG22 VAL A 27 16.979 4.302 27.483 1.00 0.00 H new ATOM 0 HG23 VAL A 27 16.816 5.357 26.059 1.00 0.00 H new ATOM 345 N MET A 28 19.491 8.365 28.463 1.00 0.00 N ATOM 346 CA MET A 28 20.423 9.207 29.215 1.00 0.00 C ATOM 347 C MET A 28 19.679 10.159 30.146 1.00 0.00 C ATOM 348 O MET A 28 20.247 10.635 31.129 1.00 0.00 O ATOM 349 CB MET A 28 21.324 10.014 28.269 1.00 0.00 C ATOM 350 CG MET A 28 20.473 10.672 27.187 1.00 0.00 C ATOM 351 SD MET A 28 21.544 11.437 25.942 1.00 0.00 S ATOM 352 CE MET A 28 22.202 12.770 26.976 1.00 0.00 C ATOM 0 H MET A 28 19.667 8.326 27.459 1.00 0.00 H new ATOM 0 HA MET A 28 21.045 8.543 29.815 1.00 0.00 H new ATOM 0 HB2 MET A 28 21.868 10.774 28.830 1.00 0.00 H new ATOM 0 HB3 MET A 28 22.068 9.360 27.813 1.00 0.00 H new ATOM 0 HG2 MET A 28 19.828 9.929 26.718 1.00 0.00 H new ATOM 0 HG3 MET A 28 19.822 11.425 27.632 1.00 0.00 H new ATOM 0 HE1 MET A 28 22.566 13.578 26.341 1.00 0.00 H new ATOM 0 HE2 MET A 28 21.414 13.148 27.628 1.00 0.00 H new ATOM 0 HE3 MET A 28 23.023 12.388 27.583 1.00 0.00 H new ATOM 362 N LEU A 29 18.401 10.416 29.866 1.00 0.00 N ATOM 363 CA LEU A 29 17.610 11.289 30.725 1.00 0.00 C ATOM 364 C LEU A 29 17.243 10.565 32.011 1.00 0.00 C ATOM 365 O LEU A 29 17.017 11.196 33.038 1.00 0.00 O ATOM 366 CB LEU A 29 16.342 11.771 29.992 1.00 0.00 C ATOM 367 CG LEU A 29 16.650 13.038 29.164 1.00 0.00 C ATOM 368 CD1 LEU A 29 15.638 13.167 28.024 1.00 0.00 C ATOM 369 CD2 LEU A 29 16.548 14.285 30.053 1.00 0.00 C ATOM 0 H LEU A 29 17.900 10.037 29.063 1.00 0.00 H new ATOM 0 HA LEU A 29 18.209 12.165 30.976 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.970 10.982 29.338 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.554 11.983 30.715 1.00 0.00 H new ATOM 0 HG LEU A 29 17.659 12.955 28.761 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.858 14.062 27.442 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.702 12.290 27.380 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.632 13.241 28.437 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.767 15.173 29.460 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.540 14.360 30.460 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.265 14.209 30.871 1.00 0.00 H new ATOM 381 N LYS A 30 17.187 9.236 31.958 1.00 0.00 N ATOM 382 CA LYS A 30 16.852 8.456 33.144 1.00 0.00 C ATOM 383 C LYS A 30 17.628 8.971 34.360 1.00 0.00 C ATOM 384 O LYS A 30 17.290 8.653 35.500 1.00 0.00 O ATOM 385 CB LYS A 30 17.188 6.977 32.920 1.00 0.00 C ATOM 386 CG LYS A 30 16.160 6.336 31.982 1.00 0.00 C ATOM 387 CD LYS A 30 16.523 4.862 31.775 1.00 0.00 C ATOM 388 CE LYS A 30 15.413 4.152 30.994 1.00 0.00 C ATOM 389 NZ LYS A 30 15.505 4.509 29.550 1.00 0.00 N ATOM 0 H LYS A 30 17.367 8.684 31.119 1.00 0.00 H new ATOM 0 HA LYS A 30 15.783 8.561 33.329 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.187 6.884 32.494 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.198 6.450 33.874 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.159 6.421 32.406 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.146 6.858 31.025 1.00 0.00 H new ATOM 0 HD2 LYS A 30 17.466 4.784 31.234 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.668 4.376 32.740 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.502 3.073 31.118 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.438 4.439 31.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.793 3.973 29.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.332 5.528 29.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.454 4.276 29.195 1.00 0.00 H new ATOM 403 N LYS A 31 18.662 9.779 34.107 1.00 0.00 N ATOM 404 CA LYS A 31 19.475 10.355 35.183 1.00 0.00 C ATOM 405 C LYS A 31 19.039 11.795 35.449 1.00 0.00 C ATOM 406 O LYS A 31 19.808 12.607 35.962 1.00 0.00 O ATOM 407 CB LYS A 31 20.954 10.339 34.787 1.00 0.00 C ATOM 408 CG LYS A 31 21.453 8.895 34.718 1.00 0.00 C ATOM 409 CD LYS A 31 22.930 8.889 34.317 1.00 0.00 C ATOM 410 CE LYS A 31 23.438 7.449 34.245 1.00 0.00 C ATOM 411 NZ LYS A 31 24.872 7.448 33.839 1.00 0.00 N ATOM 0 H LYS A 31 18.956 10.049 33.168 1.00 0.00 H new ATOM 0 HA LYS A 31 19.336 9.760 36.086 1.00 0.00 H new ATOM 0 HB2 LYS A 31 21.087 10.827 33.821 1.00 0.00 H new ATOM 0 HB3 LYS A 31 21.541 10.903 35.512 1.00 0.00 H new ATOM 0 HG2 LYS A 31 21.325 8.407 35.684 1.00 0.00 H new ATOM 0 HG3 LYS A 31 20.866 8.329 33.995 1.00 0.00 H new ATOM 0 HD2 LYS A 31 23.057 9.378 33.351 1.00 0.00 H new ATOM 0 HD3 LYS A 31 23.516 9.456 35.041 1.00 0.00 H new ATOM 0 HE2 LYS A 31 23.323 6.963 35.214 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.846 6.878 33.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 25.218 6.469 33.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 24.969 7.897 32.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 25.431 7.978 34.538 1.00 0.00 H new ATOM 425 N LYS A 32 17.795 12.094 35.090 1.00 0.00 N ATOM 426 CA LYS A 32 17.239 13.426 35.282 1.00 0.00 C ATOM 427 C LYS A 32 18.263 14.499 34.922 1.00 0.00 C ATOM 428 O LYS A 32 17.861 15.513 34.376 1.00 0.00 O ATOM 429 CB LYS A 32 16.799 13.600 36.733 1.00 0.00 C ATOM 430 CG LYS A 32 15.655 12.630 37.045 1.00 0.00 C ATOM 431 CD LYS A 32 15.133 12.881 38.465 1.00 0.00 C ATOM 432 CE LYS A 32 16.245 12.643 39.497 1.00 0.00 C ATOM 433 NZ LYS A 32 17.097 11.495 39.076 1.00 0.00 N ATOM 0 H LYS A 32 17.151 11.428 34.663 1.00 0.00 H new ATOM 0 HA LYS A 32 16.377 13.536 34.624 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.639 13.415 37.403 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.475 14.627 36.904 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.849 12.760 36.323 1.00 0.00 H new ATOM 0 HG3 LYS A 32 16.003 11.601 36.952 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.765 13.904 38.548 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.290 12.221 38.671 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.855 13.540 39.599 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.807 12.442 40.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.625 11.136 39.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.495 10.738 38.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 17.766 11.809 38.344 1.00 0.00 H new ATOM 448 N LYS B 5 -6.032 -1.776 4.384 1.00 0.00 N ATOM 449 CA LYS B 5 -4.561 -1.728 4.615 1.00 0.00 C ATOM 450 C LYS B 5 -4.283 -1.439 6.086 1.00 0.00 C ATOM 451 O LYS B 5 -3.256 -0.856 6.430 1.00 0.00 O ATOM 452 CB LYS B 5 -3.945 -0.636 3.739 1.00 0.00 C ATOM 453 CG LYS B 5 -4.008 -1.065 2.273 1.00 0.00 C ATOM 454 CD LYS B 5 -3.379 0.019 1.396 1.00 0.00 C ATOM 455 CE LYS B 5 -3.524 -0.368 -0.076 1.00 0.00 C ATOM 456 NZ LYS B 5 -2.707 -1.583 -0.355 1.00 0.00 N ATOM 0 HA LYS B 5 -4.117 -2.689 4.354 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -4.481 0.303 3.878 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -2.911 -0.459 4.033 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -3.481 -2.009 2.137 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -5.043 -1.232 1.976 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -3.864 0.978 1.580 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -2.326 0.141 1.649 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -4.571 -0.559 -0.311 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -3.200 0.455 -0.713 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -2.583 -1.690 -1.382 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -1.776 -1.487 0.098 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -3.191 -2.422 0.025 1.00 0.00 H new ATOM 469 N GLY B 6 -5.204 -1.855 6.948 1.00 0.00 N ATOM 470 CA GLY B 6 -5.044 -1.640 8.381 1.00 0.00 C ATOM 471 C GLY B 6 -3.864 -2.434 8.920 1.00 0.00 C ATOM 472 O GLY B 6 -3.292 -2.089 9.952 1.00 0.00 O ATOM 0 H GLY B 6 -6.062 -2.339 6.683 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -4.894 -0.579 8.579 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -5.955 -1.936 8.901 1.00 0.00 H new ATOM 476 N ALA B 7 -3.504 -3.502 8.222 1.00 0.00 N ATOM 477 CA ALA B 7 -2.386 -4.331 8.649 1.00 0.00 C ATOM 478 C ALA B 7 -1.062 -3.682 8.257 1.00 0.00 C ATOM 479 O ALA B 7 -0.024 -3.956 8.860 1.00 0.00 O ATOM 480 CB ALA B 7 -2.487 -5.715 8.007 1.00 0.00 C ATOM 0 H ALA B 7 -3.964 -3.812 7.366 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.424 -4.431 9.734 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.647 -6.329 8.332 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -3.421 -6.189 8.309 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -2.465 -5.615 6.922 1.00 0.00 H new ATOM 486 N ILE B 8 -1.101 -2.827 7.238 1.00 0.00 N ATOM 487 CA ILE B 8 0.111 -2.157 6.777 1.00 0.00 C ATOM 488 C ILE B 8 0.676 -1.242 7.859 1.00 0.00 C ATOM 489 O ILE B 8 1.871 -1.287 8.155 1.00 0.00 O ATOM 490 CB ILE B 8 -0.179 -1.329 5.523 1.00 0.00 C ATOM 491 CG1 ILE B 8 -0.844 -2.204 4.448 1.00 0.00 C ATOM 492 CG2 ILE B 8 1.127 -0.746 4.979 1.00 0.00 C ATOM 493 CD1 ILE B 8 0.001 -3.451 4.157 1.00 0.00 C ATOM 0 H ILE B 8 -1.947 -2.584 6.722 1.00 0.00 H new ATOM 0 HA ILE B 8 0.846 -2.928 6.544 1.00 0.00 H new ATOM 0 HB ILE B 8 -0.858 -0.518 5.785 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -1.838 -2.503 4.781 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -0.974 -1.626 3.533 1.00 0.00 H new ATOM 0 HG21 ILE B 8 0.918 -0.157 4.086 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.584 -0.108 5.736 1.00 0.00 H new ATOM 0 HG23 ILE B 8 1.810 -1.557 4.727 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.491 -4.054 3.393 1.00 0.00 H new ATOM 0 HD12 ILE B 8 0.986 -3.148 3.802 1.00 0.00 H new ATOM 0 HD13 ILE B 8 0.109 -4.038 5.069 1.00 0.00 H new ATOM 505 N ILE B 9 -0.179 -0.406 8.445 1.00 0.00 N ATOM 506 CA ILE B 9 0.273 0.509 9.487 1.00 0.00 C ATOM 507 C ILE B 9 0.630 -0.263 10.754 1.00 0.00 C ATOM 508 O ILE B 9 1.654 -0.003 11.387 1.00 0.00 O ATOM 509 CB ILE B 9 -0.817 1.552 9.786 1.00 0.00 C ATOM 510 CG1 ILE B 9 -0.234 2.704 10.633 1.00 0.00 C ATOM 511 CG2 ILE B 9 -1.964 0.888 10.547 1.00 0.00 C ATOM 512 CD1 ILE B 9 0.424 3.757 9.730 1.00 0.00 C ATOM 0 H ILE B 9 -1.172 -0.344 8.220 1.00 0.00 H new ATOM 0 HA ILE B 9 1.165 1.026 9.134 1.00 0.00 H new ATOM 0 HB ILE B 9 -1.188 1.957 8.845 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -1.026 3.166 11.223 1.00 0.00 H new ATOM 0 HG13 ILE B 9 0.500 2.310 11.337 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -2.736 1.627 10.759 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.386 0.086 9.942 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.589 0.477 11.484 1.00 0.00 H new ATOM 0 HD11 ILE B 9 0.829 4.561 10.344 1.00 0.00 H new ATOM 0 HD12 ILE B 9 1.230 3.295 9.160 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -0.319 4.164 9.044 1.00 0.00 H new ATOM 524 N GLY B 10 -0.231 -1.214 11.112 1.00 0.00 N ATOM 525 CA GLY B 10 -0.023 -2.033 12.306 1.00 0.00 C ATOM 526 C GLY B 10 1.458 -2.351 12.511 1.00 0.00 C ATOM 527 O GLY B 10 1.991 -2.193 13.608 1.00 0.00 O ATOM 0 H GLY B 10 -1.080 -1.437 10.592 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.409 -1.509 13.181 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -0.587 -2.961 12.216 1.00 0.00 H new ATOM 531 N LEU B 11 2.117 -2.776 11.440 1.00 0.00 N ATOM 532 CA LEU B 11 3.541 -3.087 11.501 1.00 0.00 C ATOM 533 C LEU B 11 4.370 -1.807 11.584 1.00 0.00 C ATOM 534 O LEU B 11 5.403 -1.770 12.243 1.00 0.00 O ATOM 535 CB LEU B 11 3.958 -3.916 10.274 1.00 0.00 C ATOM 536 CG LEU B 11 3.667 -5.409 10.516 1.00 0.00 C ATOM 537 CD1 LEU B 11 4.610 -5.980 11.601 1.00 0.00 C ATOM 538 CD2 LEU B 11 2.203 -5.577 10.949 1.00 0.00 C ATOM 0 H LEU B 11 1.692 -2.913 10.523 1.00 0.00 H new ATOM 0 HA LEU B 11 3.727 -3.674 12.400 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.418 -3.571 9.392 1.00 0.00 H new ATOM 0 HB3 LEU B 11 5.020 -3.773 10.073 1.00 0.00 H new ATOM 0 HG LEU B 11 3.840 -5.959 9.591 1.00 0.00 H new ATOM 0 HD11 LEU B 11 4.388 -7.036 11.757 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.645 -5.871 11.278 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.462 -5.436 12.534 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.993 -6.633 11.121 1.00 0.00 H new ATOM 0 HD22 LEU B 11 2.029 -5.018 11.868 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.546 -5.200 10.165 1.00 0.00 H new ATOM 550 N MET B 12 3.923 -0.769 10.894 1.00 0.00 N ATOM 551 CA MET B 12 4.625 0.495 10.872 1.00 0.00 C ATOM 552 C MET B 12 4.806 1.058 12.276 1.00 0.00 C ATOM 553 O MET B 12 5.929 1.221 12.753 1.00 0.00 O ATOM 554 CB MET B 12 3.794 1.454 10.026 1.00 0.00 C ATOM 555 CG MET B 12 4.629 2.631 9.560 1.00 0.00 C ATOM 556 SD MET B 12 4.913 3.777 10.939 1.00 0.00 S ATOM 557 CE MET B 12 6.713 3.597 11.063 1.00 0.00 C ATOM 0 H MET B 12 3.068 -0.783 10.338 1.00 0.00 H new ATOM 0 HA MET B 12 5.622 0.359 10.454 1.00 0.00 H new ATOM 0 HB2 MET B 12 3.390 0.926 9.162 1.00 0.00 H new ATOM 0 HB3 MET B 12 2.944 1.814 10.606 1.00 0.00 H new ATOM 0 HG2 MET B 12 5.583 2.278 9.168 1.00 0.00 H new ATOM 0 HG3 MET B 12 4.121 3.148 8.746 1.00 0.00 H new ATOM 0 HE1 MET B 12 7.045 3.927 12.048 1.00 0.00 H new ATOM 0 HE2 MET B 12 6.985 2.551 10.920 1.00 0.00 H new ATOM 0 HE3 MET B 12 7.193 4.205 10.296 1.00 0.00 H new ATOM 567 N VAL B 13 3.695 1.361 12.924 1.00 0.00 N ATOM 568 CA VAL B 13 3.733 1.916 14.266 1.00 0.00 C ATOM 569 C VAL B 13 4.225 0.884 15.275 1.00 0.00 C ATOM 570 O VAL B 13 4.707 1.241 16.348 1.00 0.00 O ATOM 571 CB VAL B 13 2.346 2.423 14.647 1.00 0.00 C ATOM 572 CG1 VAL B 13 1.953 3.542 13.681 1.00 0.00 C ATOM 573 CG2 VAL B 13 1.334 1.279 14.546 1.00 0.00 C ATOM 0 H VAL B 13 2.757 1.233 12.544 1.00 0.00 H new ATOM 0 HA VAL B 13 4.436 2.749 14.280 1.00 0.00 H new ATOM 0 HB VAL B 13 2.355 2.799 15.670 1.00 0.00 H new ATOM 0 HG11 VAL B 13 0.962 3.915 13.941 1.00 0.00 H new ATOM 0 HG12 VAL B 13 2.677 4.354 13.751 1.00 0.00 H new ATOM 0 HG13 VAL B 13 1.939 3.155 12.662 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.344 1.644 14.819 1.00 0.00 H new ATOM 0 HG22 VAL B 13 1.313 0.901 13.524 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.624 0.476 15.223 1.00 0.00 H new ATOM 583 N GLY B 14 4.109 -0.391 14.931 1.00 0.00 N ATOM 584 CA GLY B 14 4.564 -1.446 15.828 1.00 0.00 C ATOM 585 C GLY B 14 6.089 -1.572 15.809 1.00 0.00 C ATOM 586 O GLY B 14 6.723 -1.660 16.860 1.00 0.00 O ATOM 0 H GLY B 14 3.710 -0.718 14.051 1.00 0.00 H new ATOM 0 HA2 GLY B 14 4.227 -1.234 16.843 1.00 0.00 H new ATOM 0 HA3 GLY B 14 4.115 -2.395 15.535 1.00 0.00 H new ATOM 590 N GLY B 15 6.667 -1.609 14.607 1.00 0.00 N ATOM 591 CA GLY B 15 8.113 -1.760 14.470 1.00 0.00 C ATOM 592 C GLY B 15 8.850 -0.742 15.322 1.00 0.00 C ATOM 593 O GLY B 15 9.733 -1.094 16.099 1.00 0.00 O ATOM 0 H GLY B 15 6.161 -1.537 13.724 1.00 0.00 H new ATOM 0 HA2 GLY B 15 8.407 -2.767 14.765 1.00 0.00 H new ATOM 0 HA3 GLY B 15 8.397 -1.639 13.425 1.00 0.00 H new ATOM 597 N VAL B 16 8.492 0.519 15.160 1.00 0.00 N ATOM 598 CA VAL B 16 9.147 1.572 15.919 1.00 0.00 C ATOM 599 C VAL B 16 9.212 1.181 17.396 1.00 0.00 C ATOM 600 O VAL B 16 10.267 1.278 18.021 1.00 0.00 O ATOM 601 CB VAL B 16 8.424 2.911 15.736 1.00 0.00 C ATOM 602 CG1 VAL B 16 8.740 3.479 14.348 1.00 0.00 C ATOM 603 CG2 VAL B 16 6.916 2.709 15.867 1.00 0.00 C ATOM 0 H VAL B 16 7.763 0.837 14.521 1.00 0.00 H new ATOM 0 HA VAL B 16 10.163 1.695 15.544 1.00 0.00 H new ATOM 0 HB VAL B 16 8.763 3.607 16.503 1.00 0.00 H new ATOM 0 HG11 VAL B 16 8.225 4.431 14.219 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.815 3.632 14.254 1.00 0.00 H new ATOM 0 HG13 VAL B 16 8.404 2.779 13.583 1.00 0.00 H new ATOM 0 HG21 VAL B 16 6.408 3.665 15.736 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.575 2.009 15.104 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.687 2.309 16.855 1.00 0.00 H new ATOM 613 N VAL B 17 8.085 0.745 17.947 1.00 0.00 N ATOM 614 CA VAL B 17 8.040 0.355 19.354 1.00 0.00 C ATOM 615 C VAL B 17 9.028 -0.780 19.642 1.00 0.00 C ATOM 616 O VAL B 17 9.776 -0.721 20.611 1.00 0.00 O ATOM 617 CB VAL B 17 6.629 -0.096 19.733 1.00 0.00 C ATOM 618 CG1 VAL B 17 6.628 -0.600 21.178 1.00 0.00 C ATOM 619 CG2 VAL B 17 5.661 1.083 19.608 1.00 0.00 C ATOM 0 H VAL B 17 7.199 0.653 17.449 1.00 0.00 H new ATOM 0 HA VAL B 17 8.319 1.224 19.950 1.00 0.00 H new ATOM 0 HB VAL B 17 6.314 -0.897 19.064 1.00 0.00 H new ATOM 0 HG11 VAL B 17 5.623 -0.922 21.450 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.316 -1.440 21.271 1.00 0.00 H new ATOM 0 HG13 VAL B 17 6.944 0.203 21.844 1.00 0.00 H new ATOM 0 HG21 VAL B 17 4.656 0.759 19.879 1.00 0.00 H new ATOM 0 HG22 VAL B 17 5.976 1.885 20.276 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.661 1.446 18.580 1.00 0.00 H new ATOM 629 N ILE B 18 9.044 -1.805 18.799 1.00 0.00 N ATOM 630 CA ILE B 18 9.975 -2.913 19.018 1.00 0.00 C ATOM 631 C ILE B 18 11.402 -2.379 18.944 1.00 0.00 C ATOM 632 O ILE B 18 12.241 -2.670 19.796 1.00 0.00 O ATOM 633 CB ILE B 18 9.778 -4.009 17.967 1.00 0.00 C ATOM 634 CG1 ILE B 18 8.308 -4.461 17.944 1.00 0.00 C ATOM 635 CG2 ILE B 18 10.679 -5.201 18.295 1.00 0.00 C ATOM 636 CD1 ILE B 18 7.844 -4.878 19.347 1.00 0.00 C ATOM 0 H ILE B 18 8.443 -1.896 17.980 1.00 0.00 H new ATOM 0 HA ILE B 18 9.786 -3.347 20.000 1.00 0.00 H new ATOM 0 HB ILE B 18 10.042 -3.613 16.986 1.00 0.00 H new ATOM 0 HG12 ILE B 18 7.679 -3.651 17.574 1.00 0.00 H new ATOM 0 HG13 ILE B 18 8.190 -5.296 17.254 1.00 0.00 H new ATOM 0 HG21 ILE B 18 10.538 -5.981 17.546 1.00 0.00 H new ATOM 0 HG22 ILE B 18 11.721 -4.881 18.294 1.00 0.00 H new ATOM 0 HG23 ILE B 18 10.421 -5.592 19.279 1.00 0.00 H new ATOM 0 HD11 ILE B 18 6.802 -5.194 19.307 1.00 0.00 H new ATOM 0 HD12 ILE B 18 8.460 -5.704 19.703 1.00 0.00 H new ATOM 0 HD13 ILE B 18 7.941 -4.033 20.028 1.00 0.00 H new ATOM 648 N ALA B 19 11.651 -1.599 17.909 1.00 0.00 N ATOM 649 CA ALA B 19 12.966 -1.012 17.694 1.00 0.00 C ATOM 650 C ALA B 19 13.429 -0.271 18.948 1.00 0.00 C ATOM 651 O ALA B 19 14.605 -0.312 19.303 1.00 0.00 O ATOM 652 CB ALA B 19 12.916 -0.042 16.513 1.00 0.00 C ATOM 0 H ALA B 19 10.959 -1.355 17.200 1.00 0.00 H new ATOM 0 HA ALA B 19 13.673 -1.812 17.475 1.00 0.00 H new ATOM 0 HB1 ALA B 19 13.903 0.393 16.358 1.00 0.00 H new ATOM 0 HB2 ALA B 19 12.611 -0.578 15.614 1.00 0.00 H new ATOM 0 HB3 ALA B 19 12.199 0.751 16.724 1.00 0.00 H new ATOM 658 N THR B 20 12.497 0.404 19.614 1.00 0.00 N ATOM 659 CA THR B 20 12.826 1.151 20.830 1.00 0.00 C ATOM 660 C THR B 20 13.173 0.210 21.981 1.00 0.00 C ATOM 661 O THR B 20 13.872 0.596 22.916 1.00 0.00 O ATOM 662 CB THR B 20 11.638 2.034 21.255 1.00 0.00 C ATOM 663 OG1 THR B 20 10.574 1.199 21.677 1.00 0.00 O ATOM 664 CG2 THR B 20 11.144 2.911 20.085 1.00 0.00 C ATOM 0 H THR B 20 11.516 0.451 19.338 1.00 0.00 H new ATOM 0 HA THR B 20 13.692 1.774 20.605 1.00 0.00 H new ATOM 0 HB THR B 20 11.967 2.687 22.063 1.00 0.00 H new ATOM 0 HG1 THR B 20 10.723 0.288 21.348 1.00 0.00 H new ATOM 0 HG21 THR B 20 10.305 3.522 20.417 1.00 0.00 H new ATOM 0 HG22 THR B 20 11.954 3.558 19.748 1.00 0.00 H new ATOM 0 HG23 THR B 20 10.824 2.273 19.262 1.00 0.00 H new ATOM 672 N MET B 21 12.672 -1.016 21.918 1.00 0.00 N ATOM 673 CA MET B 21 12.934 -1.994 22.970 1.00 0.00 C ATOM 674 C MET B 21 14.311 -2.643 22.821 1.00 0.00 C ATOM 675 O MET B 21 14.993 -2.874 23.820 1.00 0.00 O ATOM 676 CB MET B 21 11.841 -3.081 22.975 1.00 0.00 C ATOM 677 CG MET B 21 10.618 -2.606 23.775 1.00 0.00 C ATOM 678 SD MET B 21 10.147 -0.939 23.241 1.00 0.00 S ATOM 679 CE MET B 21 10.390 -0.069 24.811 1.00 0.00 C ATOM 0 H MET B 21 12.086 -1.357 21.156 1.00 0.00 H new ATOM 0 HA MET B 21 12.920 -1.458 23.919 1.00 0.00 H new ATOM 0 HB2 MET B 21 11.546 -3.314 21.952 1.00 0.00 H new ATOM 0 HB3 MET B 21 12.234 -3.999 23.411 1.00 0.00 H new ATOM 0 HG2 MET B 21 9.786 -3.294 23.628 1.00 0.00 H new ATOM 0 HG3 MET B 21 10.846 -2.606 24.841 1.00 0.00 H new ATOM 0 HE1 MET B 21 9.998 0.945 24.729 1.00 0.00 H new ATOM 0 HE2 MET B 21 9.864 -0.598 25.606 1.00 0.00 H new ATOM 0 HE3 MET B 21 11.454 -0.029 25.044 1.00 0.00 H new ATOM 689 N ILE B 22 14.724 -2.953 21.591 1.00 0.00 N ATOM 690 CA ILE B 22 16.019 -3.589 21.382 1.00 0.00 C ATOM 691 C ILE B 22 17.175 -2.632 21.657 1.00 0.00 C ATOM 692 O ILE B 22 18.159 -3.008 22.283 1.00 0.00 O ATOM 693 CB ILE B 22 16.117 -4.098 19.944 1.00 0.00 C ATOM 694 CG1 ILE B 22 15.093 -5.215 19.734 1.00 0.00 C ATOM 695 CG2 ILE B 22 17.530 -4.648 19.687 1.00 0.00 C ATOM 696 CD1 ILE B 22 14.951 -5.497 18.239 1.00 0.00 C ATOM 0 H ILE B 22 14.189 -2.777 20.740 1.00 0.00 H new ATOM 0 HA ILE B 22 16.095 -4.420 22.084 1.00 0.00 H new ATOM 0 HB ILE B 22 15.916 -3.279 19.253 1.00 0.00 H new ATOM 0 HG12 ILE B 22 15.410 -6.117 20.257 1.00 0.00 H new ATOM 0 HG13 ILE B 22 14.130 -4.925 20.154 1.00 0.00 H new ATOM 0 HG21 ILE B 22 17.598 -5.011 18.661 1.00 0.00 H new ATOM 0 HG22 ILE B 22 18.262 -3.856 19.841 1.00 0.00 H new ATOM 0 HG23 ILE B 22 17.732 -5.468 20.376 1.00 0.00 H new ATOM 0 HD11 ILE B 22 14.222 -6.293 18.086 1.00 0.00 H new ATOM 0 HD12 ILE B 22 14.615 -4.594 17.729 1.00 0.00 H new ATOM 0 HD13 ILE B 22 15.915 -5.805 17.834 1.00 0.00 H new ATOM 708 N VAL B 23 17.082 -1.410 21.151 1.00 0.00 N ATOM 709 CA VAL B 23 18.166 -0.451 21.327 1.00 0.00 C ATOM 710 C VAL B 23 18.507 -0.281 22.794 1.00 0.00 C ATOM 711 O VAL B 23 19.677 -0.163 23.154 1.00 0.00 O ATOM 712 CB VAL B 23 17.763 0.896 20.739 1.00 0.00 C ATOM 713 CG1 VAL B 23 17.439 0.730 19.245 1.00 0.00 C ATOM 714 CG2 VAL B 23 16.537 1.439 21.498 1.00 0.00 C ATOM 0 H VAL B 23 16.281 -1.062 20.623 1.00 0.00 H new ATOM 0 HA VAL B 23 19.046 -0.831 20.808 1.00 0.00 H new ATOM 0 HB VAL B 23 18.585 1.604 20.842 1.00 0.00 H new ATOM 0 HG11 VAL B 23 17.151 1.694 18.826 1.00 0.00 H new ATOM 0 HG12 VAL B 23 18.318 0.355 18.721 1.00 0.00 H new ATOM 0 HG13 VAL B 23 16.618 0.023 19.127 1.00 0.00 H new ATOM 0 HG21 VAL B 23 16.247 2.403 21.079 1.00 0.00 H new ATOM 0 HG22 VAL B 23 15.709 0.737 21.401 1.00 0.00 H new ATOM 0 HG23 VAL B 23 16.787 1.562 22.552 1.00 0.00 H new ATOM 724 N ILE B 24 17.492 -0.292 23.650 1.00 0.00 N ATOM 725 CA ILE B 24 17.740 -0.163 25.082 1.00 0.00 C ATOM 726 C ILE B 24 18.887 -1.104 25.479 1.00 0.00 C ATOM 727 O ILE B 24 19.809 -0.693 26.175 1.00 0.00 O ATOM 728 CB ILE B 24 16.434 -0.477 25.870 1.00 0.00 C ATOM 729 CG1 ILE B 24 15.717 0.831 26.272 1.00 0.00 C ATOM 730 CG2 ILE B 24 16.731 -1.279 27.147 1.00 0.00 C ATOM 731 CD1 ILE B 24 15.652 1.813 25.090 1.00 0.00 C ATOM 0 H ILE B 24 16.511 -0.387 23.387 1.00 0.00 H new ATOM 0 HA ILE B 24 18.036 0.857 25.327 1.00 0.00 H new ATOM 0 HB ILE B 24 15.796 -1.068 25.213 1.00 0.00 H new ATOM 0 HG12 ILE B 24 14.708 0.605 26.617 1.00 0.00 H new ATOM 0 HG13 ILE B 24 16.242 1.296 27.106 1.00 0.00 H new ATOM 0 HG21 ILE B 24 15.799 -1.482 27.674 1.00 0.00 H new ATOM 0 HG22 ILE B 24 17.210 -2.221 26.882 1.00 0.00 H new ATOM 0 HG23 ILE B 24 17.395 -0.703 27.792 1.00 0.00 H new ATOM 0 HD11 ILE B 24 15.142 2.725 25.402 1.00 0.00 H new ATOM 0 HD12 ILE B 24 16.663 2.056 24.763 1.00 0.00 H new ATOM 0 HD13 ILE B 24 15.105 1.355 24.266 1.00 0.00 H new ATOM 743 N THR B 25 18.818 -2.354 25.018 1.00 0.00 N ATOM 744 CA THR B 25 19.863 -3.334 25.325 1.00 0.00 C ATOM 745 C THR B 25 21.211 -2.838 24.783 1.00 0.00 C ATOM 746 O THR B 25 22.202 -2.770 25.510 1.00 0.00 O ATOM 747 CB THR B 25 19.482 -4.695 24.701 1.00 0.00 C ATOM 748 OG1 THR B 25 18.518 -5.333 25.523 1.00 0.00 O ATOM 749 CG2 THR B 25 20.708 -5.610 24.554 1.00 0.00 C ATOM 0 H THR B 25 18.059 -2.710 24.437 1.00 0.00 H new ATOM 0 HA THR B 25 19.954 -3.458 26.404 1.00 0.00 H new ATOM 0 HB THR B 25 19.074 -4.511 23.707 1.00 0.00 H new ATOM 0 HG1 THR B 25 18.272 -6.196 25.129 1.00 0.00 H new ATOM 0 HG21 THR B 25 20.403 -6.559 24.112 1.00 0.00 H new ATOM 0 HG22 THR B 25 21.445 -5.130 23.910 1.00 0.00 H new ATOM 0 HG23 THR B 25 21.146 -5.791 25.535 1.00 0.00 H new ATOM 757 N LEU B 26 21.226 -2.503 23.499 1.00 0.00 N ATOM 758 CA LEU B 26 22.434 -2.016 22.832 1.00 0.00 C ATOM 759 C LEU B 26 23.077 -0.888 23.636 1.00 0.00 C ATOM 760 O LEU B 26 24.298 -0.804 23.747 1.00 0.00 O ATOM 761 CB LEU B 26 22.043 -1.523 21.429 1.00 0.00 C ATOM 762 CG LEU B 26 23.204 -0.809 20.694 1.00 0.00 C ATOM 763 CD1 LEU B 26 23.450 0.614 21.255 1.00 0.00 C ATOM 764 CD2 LEU B 26 24.495 -1.650 20.764 1.00 0.00 C ATOM 0 H LEU B 26 20.409 -2.559 22.891 1.00 0.00 H new ATOM 0 HA LEU B 26 23.164 -2.821 22.755 1.00 0.00 H new ATOM 0 HB2 LEU B 26 21.709 -2.371 20.832 1.00 0.00 H new ATOM 0 HB3 LEU B 26 21.198 -0.840 21.512 1.00 0.00 H new ATOM 0 HG LEU B 26 22.912 -0.705 19.649 1.00 0.00 H new ATOM 0 HD11 LEU B 26 24.272 1.082 20.713 1.00 0.00 H new ATOM 0 HD12 LEU B 26 22.548 1.214 21.134 1.00 0.00 H new ATOM 0 HD13 LEU B 26 23.703 0.549 22.313 1.00 0.00 H new ATOM 0 HD21 LEU B 26 25.297 -1.129 20.241 1.00 0.00 H new ATOM 0 HD22 LEU B 26 24.777 -1.798 21.806 1.00 0.00 H new ATOM 0 HD23 LEU B 26 24.324 -2.618 20.294 1.00 0.00 H new ATOM 776 N VAL B 27 22.252 -0.039 24.217 1.00 0.00 N ATOM 777 CA VAL B 27 22.782 1.059 25.013 1.00 0.00 C ATOM 778 C VAL B 27 23.537 0.526 26.233 1.00 0.00 C ATOM 779 O VAL B 27 24.754 0.666 26.327 1.00 0.00 O ATOM 780 CB VAL B 27 21.644 1.982 25.457 1.00 0.00 C ATOM 781 CG1 VAL B 27 22.169 3.004 26.477 1.00 0.00 C ATOM 782 CG2 VAL B 27 21.089 2.712 24.228 1.00 0.00 C ATOM 0 H VAL B 27 21.235 -0.082 24.158 1.00 0.00 H new ATOM 0 HA VAL B 27 23.480 1.627 24.398 1.00 0.00 H new ATOM 0 HB VAL B 27 20.854 1.394 25.924 1.00 0.00 H new ATOM 0 HG11 VAL B 27 21.355 3.658 26.789 1.00 0.00 H new ATOM 0 HG12 VAL B 27 22.567 2.480 27.346 1.00 0.00 H new ATOM 0 HG13 VAL B 27 22.959 3.601 26.021 1.00 0.00 H new ATOM 0 HG21 VAL B 27 20.277 3.373 24.533 1.00 0.00 H new ATOM 0 HG22 VAL B 27 21.882 3.300 23.766 1.00 0.00 H new ATOM 0 HG23 VAL B 27 20.713 1.983 23.511 1.00 0.00 H new ATOM 792 N MET B 28 22.809 -0.064 27.171 1.00 0.00 N ATOM 793 CA MET B 28 23.428 -0.594 28.388 1.00 0.00 C ATOM 794 C MET B 28 24.643 -1.456 28.059 1.00 0.00 C ATOM 795 O MET B 28 25.517 -1.644 28.905 1.00 0.00 O ATOM 796 CB MET B 28 22.421 -1.413 29.206 1.00 0.00 C ATOM 797 CG MET B 28 21.688 -2.388 28.290 1.00 0.00 C ATOM 798 SD MET B 28 20.346 -3.197 29.201 1.00 0.00 S ATOM 799 CE MET B 28 21.373 -4.193 30.310 1.00 0.00 C ATOM 0 H MET B 28 21.798 -0.189 27.118 1.00 0.00 H new ATOM 0 HA MET B 28 23.755 0.259 28.982 1.00 0.00 H new ATOM 0 HB2 MET B 28 22.937 -1.959 29.996 1.00 0.00 H new ATOM 0 HB3 MET B 28 21.707 -0.749 29.692 1.00 0.00 H new ATOM 0 HG2 MET B 28 21.286 -1.858 27.427 1.00 0.00 H new ATOM 0 HG3 MET B 28 22.383 -3.136 27.909 1.00 0.00 H new ATOM 0 HE1 MET B 28 20.788 -5.029 30.695 1.00 0.00 H new ATOM 0 HE2 MET B 28 22.235 -4.575 29.763 1.00 0.00 H new ATOM 0 HE3 MET B 28 21.715 -3.576 31.141 1.00 0.00 H new ATOM 809 N LEU B 29 24.721 -1.956 26.827 1.00 0.00 N ATOM 810 CA LEU B 29 25.867 -2.765 26.423 1.00 0.00 C ATOM 811 C LEU B 29 27.082 -1.875 26.204 1.00 0.00 C ATOM 812 O LEU B 29 28.215 -2.330 26.326 1.00 0.00 O ATOM 813 CB LEU B 29 25.545 -3.567 25.147 1.00 0.00 C ATOM 814 CG LEU B 29 24.862 -4.904 25.512 1.00 0.00 C ATOM 815 CD1 LEU B 29 24.035 -5.402 24.327 1.00 0.00 C ATOM 816 CD2 LEU B 29 25.924 -5.962 25.847 1.00 0.00 C ATOM 0 H LEU B 29 24.016 -1.818 26.103 1.00 0.00 H new ATOM 0 HA LEU B 29 26.091 -3.474 27.220 1.00 0.00 H new ATOM 0 HB2 LEU B 29 24.893 -2.983 24.497 1.00 0.00 H new ATOM 0 HB3 LEU B 29 26.461 -3.759 24.589 1.00 0.00 H new ATOM 0 HG LEU B 29 24.217 -4.742 26.376 1.00 0.00 H new ATOM 0 HD11 LEU B 29 23.555 -6.345 24.589 1.00 0.00 H new ATOM 0 HD12 LEU B 29 23.273 -4.663 24.079 1.00 0.00 H new ATOM 0 HD13 LEU B 29 24.687 -5.553 23.466 1.00 0.00 H new ATOM 0 HD21 LEU B 29 25.434 -6.901 26.103 1.00 0.00 H new ATOM 0 HD22 LEU B 29 26.571 -6.114 24.983 1.00 0.00 H new ATOM 0 HD23 LEU B 29 26.522 -5.622 26.693 1.00 0.00 H new ATOM 828 N LYS B 30 26.848 -0.606 25.881 1.00 0.00 N ATOM 829 CA LYS B 30 27.951 0.323 25.661 1.00 0.00 C ATOM 830 C LYS B 30 29.003 0.176 26.765 1.00 0.00 C ATOM 831 O LYS B 30 30.130 0.650 26.624 1.00 0.00 O ATOM 832 CB LYS B 30 27.436 1.768 25.646 1.00 0.00 C ATOM 833 CG LYS B 30 26.694 2.050 24.337 1.00 0.00 C ATOM 834 CD LYS B 30 26.189 3.497 24.352 1.00 0.00 C ATOM 835 CE LYS B 30 25.605 3.865 22.984 1.00 0.00 C ATOM 836 NZ LYS B 30 24.252 3.261 22.835 1.00 0.00 N ATOM 0 H LYS B 30 25.918 -0.202 25.767 1.00 0.00 H new ATOM 0 HA LYS B 30 28.404 0.089 24.698 1.00 0.00 H new ATOM 0 HB2 LYS B 30 26.770 1.934 26.493 1.00 0.00 H new ATOM 0 HB3 LYS B 30 28.270 2.461 25.756 1.00 0.00 H new ATOM 0 HG2 LYS B 30 27.357 1.891 23.487 1.00 0.00 H new ATOM 0 HG3 LYS B 30 25.858 1.360 24.222 1.00 0.00 H new ATOM 0 HD2 LYS B 30 25.430 3.617 25.125 1.00 0.00 H new ATOM 0 HD3 LYS B 30 27.007 4.173 24.601 1.00 0.00 H new ATOM 0 HE2 LYS B 30 25.543 4.949 22.884 1.00 0.00 H new ATOM 0 HE3 LYS B 30 26.262 3.509 22.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 23.867 3.499 21.899 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 24.321 2.228 22.928 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 23.622 3.634 23.574 1.00 0.00 H new ATOM 850 N LYS B 31 28.630 -0.499 27.856 1.00 0.00 N ATOM 851 CA LYS B 31 29.547 -0.727 28.976 1.00 0.00 C ATOM 852 C LYS B 31 30.122 -2.140 28.897 1.00 0.00 C ATOM 853 O LYS B 31 30.546 -2.711 29.902 1.00 0.00 O ATOM 854 CB LYS B 31 28.807 -0.555 30.305 1.00 0.00 C ATOM 855 CG LYS B 31 28.404 0.909 30.485 1.00 0.00 C ATOM 856 CD LYS B 31 27.662 1.069 31.813 1.00 0.00 C ATOM 857 CE LYS B 31 27.255 2.531 32.002 1.00 0.00 C ATOM 858 NZ LYS B 31 26.516 2.679 33.289 1.00 0.00 N ATOM 0 H LYS B 31 27.700 -0.897 27.987 1.00 0.00 H new ATOM 0 HA LYS B 31 30.357 -0.000 28.918 1.00 0.00 H new ATOM 0 HB2 LYS B 31 27.922 -1.191 30.324 1.00 0.00 H new ATOM 0 HB3 LYS B 31 29.445 -0.871 31.131 1.00 0.00 H new ATOM 0 HG2 LYS B 31 29.288 1.546 30.470 1.00 0.00 H new ATOM 0 HG3 LYS B 31 27.768 1.227 29.659 1.00 0.00 H new ATOM 0 HD2 LYS B 31 26.779 0.431 31.826 1.00 0.00 H new ATOM 0 HD3 LYS B 31 28.299 0.749 32.638 1.00 0.00 H new ATOM 0 HE2 LYS B 31 28.139 3.169 32.003 1.00 0.00 H new ATOM 0 HE3 LYS B 31 26.629 2.856 31.171 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 26.239 3.673 33.418 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 25.665 2.082 33.271 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 27.128 2.385 34.077 1.00 0.00 H new ATOM 872 N LYS B 32 30.124 -2.692 27.688 1.00 0.00 N ATOM 873 CA LYS B 32 30.640 -4.033 27.456 1.00 0.00 C ATOM 874 C LYS B 32 30.205 -4.982 28.571 1.00 0.00 C ATOM 875 O LYS B 32 29.934 -6.132 28.269 1.00 0.00 O ATOM 876 CB LYS B 32 32.165 -3.997 27.377 1.00 0.00 C ATOM 877 CG LYS B 32 32.599 -3.175 26.161 1.00 0.00 C ATOM 878 CD LYS B 32 34.124 -3.232 26.011 1.00 0.00 C ATOM 879 CE LYS B 32 34.807 -2.633 27.250 1.00 0.00 C ATOM 880 NZ LYS B 32 34.028 -1.467 27.752 1.00 0.00 N ATOM 0 H LYS B 32 29.772 -2.227 26.851 1.00 0.00 H new ATOM 0 HA LYS B 32 30.235 -4.398 26.512 1.00 0.00 H new ATOM 0 HB2 LYS B 32 32.576 -3.562 28.288 1.00 0.00 H new ATOM 0 HB3 LYS B 32 32.559 -5.011 27.302 1.00 0.00 H new ATOM 0 HG2 LYS B 32 32.121 -3.561 25.261 1.00 0.00 H new ATOM 0 HG3 LYS B 32 32.274 -2.141 26.275 1.00 0.00 H new ATOM 0 HD2 LYS B 32 34.444 -4.265 25.875 1.00 0.00 H new ATOM 0 HD3 LYS B 32 34.429 -2.684 25.119 1.00 0.00 H new ATOM 0 HE2 LYS B 32 34.888 -3.389 28.031 1.00 0.00 H new ATOM 0 HE3 LYS B 32 35.821 -2.322 27.001 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 34.655 -0.838 28.293 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 33.625 -0.946 26.947 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 33.259 -1.802 28.367 1.00 0.00 H new